data_25411 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25411 _Entry.PDB_ID 2MXI 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 25411 _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 GLN N N 3 122.360 122.360 120.494 1.866 25411 2 1 1 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.276 -0.388 25411 3 1 1 . 1 1 3 3 GLN CA C 3 58.742 58.742 57.067 1.675 25411 4 1 1 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.901 -0.518 25411 5 1 1 . 1 1 3 3 GLN H H 3 9.398 9.398 8.477 0.921 25411 6 1 1 . 1 1 4 4 GLU N N 4 119.689 119.689 119.805 -0.116 25411 7 1 1 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.274 0.400 25411 8 1 1 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.388 0.419 25411 9 1 1 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.481 0.219 25411 10 1 1 . 1 1 4 4 GLU H H 4 7.464 7.464 8.924 -1.460 25411 11 1 1 . 1 1 5 5 LEU N N 5 114.872 114.872 122.405 -7.533 25411 12 1 1 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.129 -0.428 25411 13 1 1 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.320 -0.582 25411 14 1 1 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.926 -1.111 25411 15 1 1 . 1 1 5 5 LEU H H 5 8.206 8.206 7.494 0.712 25411 16 1 1 . 1 1 6 6 SER N N 6 109.762 109.762 113.801 -4.039 25411 17 1 1 . 1 1 6 6 SER HA H 6 4.092 4.092 4.115 -0.023 25411 18 1 1 . 1 1 6 6 SER CA C 6 60.415 60.415 62.526 -2.111 25411 19 1 1 . 1 1 6 6 SER CB C 6 63.391 63.391 62.744 0.647 25411 20 1 1 . 1 1 6 6 SER H H 6 8.253 8.253 8.159 0.094 25411 21 1 1 . 1 1 7 7 GLN N N 7 117.498 117.498 121.790 -4.292 25411 22 1 1 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.098 -0.143 25411 23 1 1 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.725 -0.300 25411 24 1 1 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.792 -0.053 25411 25 1 1 . 1 1 7 7 GLN H H 7 8.673 8.673 7.849 0.824 25411 26 1 1 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.520 -0.723 25411 27 1 1 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.714 -0.659 25411 28 1 1 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.229 -1.120 25411 29 1 1 . 1 1 9 9 GLU N N 9 120.354 120.354 119.526 0.828 25411 30 1 1 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.341 -0.382 25411 31 1 1 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.010 1.248 25411 32 1 1 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.551 -0.324 25411 33 1 1 . 1 1 9 9 GLU H H 9 7.690 7.690 8.352 -0.662 25411 34 1 1 . 1 1 10 10 ARG N N 10 118.753 118.753 120.077 -1.324 25411 35 1 1 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.030 0.069 25411 36 1 1 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.597 -1.376 25411 37 1 1 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.164 -1.069 25411 38 1 1 . 1 1 10 10 ARG H H 10 8.928 8.928 8.062 0.866 25411 39 1 1 . 1 1 11 11 TYR N N 11 121.288 121.288 118.849 2.439 25411 40 1 1 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.294 -0.105 25411 41 1 1 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.026 -0.790 25411 42 1 1 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.108 -0.247 25411 43 1 1 . 1 1 11 11 TYR H H 11 7.562 7.562 8.521 -0.960 25411 44 1 1 . 1 1 12 12 VAL N N 12 119.304 119.304 119.985 -0.681 25411 45 1 1 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.735 -0.652 25411 46 1 1 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.529 0.306 25411 47 1 1 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.794 -0.695 25411 48 1 1 . 1 1 12 12 VAL H H 12 8.075 8.075 7.613 0.462 25411 49 1 1 . 1 1 13 13 GLU N N 13 119.685 119.685 120.065 -0.380 25411 50 1 1 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.049 0.106 25411 51 1 1 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.238 0.187 25411 52 1 1 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.379 -0.191 25411 53 1 1 . 1 1 13 13 GLU H H 13 8.278 8.278 7.931 0.347 25411 54 1 1 . 1 1 14 14 GLN N N 14 119.682 119.682 120.173 -0.491 25411 55 1 1 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.044 -0.388 25411 56 1 1 . 1 1 14 14 GLN CA C 14 59.969 59.969 59.151 0.818 25411 57 1 1 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.722 0.951 25411 58 1 1 . 1 1 14 14 GLN H H 14 7.653 7.653 8.265 -0.612 25411 59 1 1 . 1 1 15 15 LEU N N 15 121.000 121.000 119.620 1.380 25411 60 1 1 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.137 -0.216 25411 61 1 1 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.241 1.214 25411 62 1 1 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.179 -0.419 25411 63 1 1 . 1 1 15 15 LEU H H 15 8.402 8.402 8.611 -0.209 25411 64 1 1 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.841 -0.145 25411 65 1 1 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.404 -0.146 25411 66 1 1 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.291 -0.156 25411 67 1 1 . 1 1 17 17 GLN N N 17 117.558 117.558 118.149 -0.591 25411 68 1 1 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.031 -0.144 25411 69 1 1 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.935 -0.493 25411 70 1 1 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.686 -0.641 25411 71 1 1 . 1 1 17 17 GLN H H 17 7.849 7.849 8.188 -0.339 25411 72 1 1 . 1 1 18 18 ALA N N 18 120.288 120.288 123.238 -2.950 25411 73 1 1 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.149 -0.361 25411 74 1 1 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.992 -0.099 25411 75 1 1 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.608 -1.212 25411 76 1 1 . 1 1 18 18 ALA H H 18 8.504 8.504 8.255 0.249 25411 77 1 1 . 1 1 19 19 LEU N N 19 116.974 116.974 117.955 -0.981 25411 78 1 1 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.026 -0.267 25411 79 1 1 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.952 0.600 25411 80 1 1 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.669 -0.976 25411 81 1 1 . 1 1 19 19 LEU H H 19 8.143 8.143 8.439 -0.296 25411 82 1 1 . 1 1 20 20 LYS N N 20 117.776 117.776 120.769 -2.993 25411 83 1 1 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.044 -0.089 25411 84 1 1 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.930 -0.386 25411 85 1 1 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.496 -2.010 25411 86 1 1 . 1 1 20 20 LYS H H 20 8.340 8.340 8.160 0.180 25411 87 1 1 . 1 1 21 21 THR N N 21 116.373 116.373 111.106 5.267 25411 88 1 1 . 1 1 21 21 THR HA H 21 4.107 4.107 4.198 -0.091 25411 89 1 1 . 1 1 21 21 THR CA C 21 64.611 64.611 64.326 0.285 25411 90 1 1 . 1 1 21 21 THR CB C 21 68.811 68.811 68.579 0.231 25411 91 1 1 . 1 1 21 21 THR H H 21 7.302 7.302 7.912 -0.610 25411 92 1 1 . 1 1 22 22 ARG N N 22 118.647 118.647 119.874 -1.227 25411 93 1 1 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.463 -0.101 25411 94 1 1 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.579 -1.514 25411 95 1 1 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.128 -1.600 25411 96 1 1 . 1 1 22 22 ARG H H 22 7.290 7.290 7.504 -0.214 25411 97 1 1 . 1 1 23 23 GLY N N 23 108.637 108.637 108.646 -0.009 25411 98 1 1 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.383 0.729 25411 99 1 1 . 1 1 23 23 GLY H H 23 7.881 7.881 7.631 0.250 25411 100 1 1 . 1 1 24 24 VAL N N 24 117.390 117.390 120.297 -2.907 25411 101 1 1 . 1 1 24 24 VAL HA H 24 4.014 4.014 4.264 -0.250 25411 102 1 1 . 1 1 24 24 VAL CA C 24 61.668 61.668 60.918 0.750 25411 103 1 1 . 1 1 24 24 VAL CB C 24 32.372 32.372 30.035 2.337 25411 104 1 1 . 1 1 24 24 VAL H H 24 7.333 7.333 7.755 -0.422 25411 105 1 1 . 1 1 25 25 LYS N N 25 127.322 127.322 119.633 7.689 25411 106 1 1 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.996 0.336 25411 107 1 1 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.099 -1.337 25411 108 1 1 . 1 1 25 25 LYS CB C 25 31.761 31.761 32.029 -0.268 25411 109 1 1 . 1 1 25 25 LYS H H 25 8.722 8.722 7.730 0.992 25411 110 1 1 . 1 1 26 26 VAL N N 26 120.568 120.568 118.338 2.230 25411 111 1 1 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.295 -0.217 25411 112 1 1 . 1 1 26 26 VAL CA C 26 60.665 60.665 62.419 -1.754 25411 113 1 1 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.755 -0.108 25411 114 1 1 . 1 1 26 26 VAL H H 26 7.119 7.119 8.229 -1.110 25411 115 1 1 . 1 1 27 27 LYS N N 27 125.675 125.675 128.113 -2.438 25411 116 1 1 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.409 -0.083 25411 117 1 1 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.338 0.073 25411 118 1 1 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.694 -2.735 25411 119 1 1 . 1 1 27 27 LYS H H 27 8.570 8.570 7.954 0.616 25411 120 1 1 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.456 -0.439 25411 121 1 1 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.872 -2.460 25411 122 1 1 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.814 2.026 25411 123 1 1 . 1 1 29 29 ALA N N 29 120.743 120.743 128.340 -7.597 25411 124 1 1 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.154 -0.486 25411 125 1 1 . 1 1 29 29 ALA CA C 29 54.678 54.678 54.898 -0.220 25411 126 1 1 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.760 -0.760 25411 127 1 1 . 1 1 29 29 ALA H H 29 8.323 8.323 8.795 -0.472 25411 128 1 1 . 1 1 30 30 ASP N N 30 117.202 117.202 117.587 -0.385 25411 129 1 1 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.441 -0.160 25411 130 1 1 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.176 0.377 25411 131 1 1 . 1 1 30 30 ASP CB C 30 39.807 39.807 40.057 -0.251 25411 132 1 1 . 1 1 30 30 ASP H H 30 6.872 6.872 8.456 -1.584 25411 133 1 1 . 1 1 31 31 LEU N N 31 122.273 122.273 119.506 2.767 25411 134 1 1 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.378 -0.832 25411 135 1 1 . 1 1 31 31 LEU CA C 31 56.725 56.725 57.069 -0.344 25411 136 1 1 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.263 -1.605 25411 137 1 1 . 1 1 31 31 LEU H H 31 7.433 7.433 7.640 -0.207 25411 138 1 1 . 1 1 32 32 LEU N N 32 123.376 123.376 119.753 3.623 25411 139 1 1 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.250 -0.635 25411 140 1 1 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.468 -0.372 25411 141 1 1 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.724 -1.182 25411 142 1 1 . 1 1 32 32 LEU H H 32 8.727 8.727 7.777 0.950 25411 143 1 1 . 1 1 33 33 LYS N N 33 118.078 118.078 119.833 -1.755 25411 144 1 1 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.104 0.109 25411 145 1 1 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.770 -0.672 25411 146 1 1 . 1 1 33 33 LYS CB C 33 31.890 31.890 31.905 -0.015 25411 147 1 1 . 1 1 33 33 LYS H H 33 7.149 7.149 7.489 -0.340 25411 148 1 1 . 1 1 34 34 PHE N N 34 117.398 117.398 120.808 -3.410 25411 149 1 1 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.878 -5.183 25411 150 1 1 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.055 2.164 25411 151 1 1 . 1 1 34 34 PHE H H 34 7.633 7.633 8.470 -0.837 25411 152 1 1 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.101 -0.308 25411 153 1 1 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.882 -0.290 25411 154 1 1 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.364 -2.350 25411 155 1 1 . 1 1 36 36 ASP N N 36 120.136 120.136 119.638 0.498 25411 156 1 1 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.443 -0.347 25411 157 1 1 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.723 -0.782 25411 158 1 1 . 1 1 36 36 ASP CB C 36 39.104 39.104 41.051 -1.947 25411 159 1 1 . 1 1 36 36 ASP H H 36 8.330 8.330 8.719 -0.389 25411 160 1 1 . 1 1 37 37 PHE N N 37 121.883 121.883 120.195 1.688 25411 161 1 1 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.232 0.026 25411 162 1 1 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.325 -1.627 25411 163 1 1 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.353 0.832 25411 164 1 1 . 1 1 37 37 PHE H H 37 7.794 7.794 8.344 -0.550 25411 165 1 1 . 1 1 38 38 VAL N N 38 118.525 118.525 119.375 -0.850 25411 166 1 1 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.414 -0.375 25411 167 1 1 . 1 1 38 38 VAL CA C 38 66.882 66.882 65.846 1.036 25411 168 1 1 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.542 -0.854 25411 169 1 1 . 1 1 38 38 VAL H H 38 8.262 8.262 7.720 0.542 25411 170 1 1 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.961 -0.505 25411 171 1 1 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.340 -0.286 25411 172 1 1 . 1 1 39 39 LYS CB C 39 31.696 31.696 32.026 -0.330 25411 173 1 1 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.613 -0.168 25411 174 1 1 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.242 0.743 25411 175 1 1 . 1 1 40 40 ASP CB C 40 40.692 40.692 42.071 -1.379 25411 176 1 1 . 1 1 41 41 ILE N N 41 120.641 120.641 118.425 2.216 25411 177 1 1 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.941 0.084 25411 178 1 1 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.570 -2.918 25411 179 1 1 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.468 -0.404 25411 180 1 1 . 1 1 41 41 ILE H H 41 8.788 8.788 8.063 0.725 25411 181 1 1 . 1 1 42 42 CYS N N 42 117.896 117.896 112.535 5.361 25411 182 1 1 . 1 1 42 42 CYS CA C 42 56.172 56.172 54.717 1.455 25411 183 1 1 . 1 1 42 42 CYS CB C 42 28.324 28.324 28.345 -0.021 25411 184 1 1 . 1 1 42 42 CYS H H 42 7.180 7.180 7.516 -0.336 25411 185 1 1 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.266 0.049 25411 186 1 1 . 1 1 43 43 PRO CA C 43 65.003 65.003 65.379 -0.376 25411 187 1 1 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.464 -0.749 25411 188 1 1 . 1 1 44 44 TRP N N 44 113.823 113.823 117.618 -3.795 25411 189 1 1 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.338 -0.033 25411 190 1 1 . 1 1 44 44 TRP CA C 44 55.398 55.398 55.944 -0.546 25411 191 1 1 . 1 1 44 44 TRP CB C 44 27.811 27.811 28.130 -0.319 25411 192 1 1 . 1 1 44 44 TRP H H 44 6.591 6.591 8.227 -1.636 25411 193 1 1 . 1 1 45 45 PHE N N 45 123.100 123.100 118.227 4.873 25411 194 1 1 . 1 1 45 45 PHE HA H 45 4.001 4.001 4.952 -0.951 25411 195 1 1 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.574 8.235 25411 196 1 1 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.164 -3.229 25411 197 1 1 . 1 1 45 45 PHE H H 45 7.239 7.239 7.582 -0.343 25411 198 1 1 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.354 -0.342 25411 199 1 1 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.417 0.114 25411 200 1 1 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.820 -1.333 25411 201 1 1 . 1 1 47 47 GLN N N 47 114.502 114.502 116.175 -1.673 25411 202 1 1 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.152 -0.215 25411 203 1 1 . 1 1 47 47 GLN CA C 47 58.404 58.404 57.784 0.620 25411 204 1 1 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.878 0.442 25411 205 1 1 . 1 1 47 47 GLN H H 47 6.518 6.518 8.621 -2.103 25411 206 1 1 . 1 1 48 48 GLU N N 48 117.358 117.358 119.085 -1.727 25411 207 1 1 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.168 -0.130 25411 208 1 1 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.782 1.390 25411 209 1 1 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.284 -1.330 25411 210 1 1 . 1 1 48 48 GLU H H 48 7.318 7.318 7.780 -0.462 25411 211 1 1 . 1 1 49 49 GLY N N 49 105.534 105.534 109.055 -3.521 25411 212 1 1 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.790 1.513 25411 213 1 1 . 1 1 49 49 GLY H H 49 7.296 7.296 7.800 -0.504 25411 214 1 1 . 1 1 50 50 THR N N 50 114.069 114.069 112.730 1.339 25411 215 1 1 . 1 1 50 50 THR HA H 50 4.234 4.234 4.358 -0.124 25411 216 1 1 . 1 1 50 50 THR CA C 50 61.683 61.683 60.457 1.226 25411 217 1 1 . 1 1 50 50 THR CB C 50 70.718 70.718 70.323 0.395 25411 218 1 1 . 1 1 50 50 THR H H 50 7.597 7.597 7.642 -0.045 25411 219 1 1 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.010 0.115 25411 220 1 1 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.731 -1.861 25411 221 1 1 . 1 1 51 51 ILE CB C 51 35.288 35.288 37.809 -2.521 25411 222 1 1 . 1 1 52 52 ASP N N 52 121.791 121.791 126.619 -4.828 25411 223 1 1 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.940 -0.317 25411 224 1 1 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.854 -1.122 25411 225 1 1 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.030 -1.569 25411 226 1 1 . 1 1 52 52 ASP H H 52 7.168 7.168 8.167 -0.999 25411 227 1 1 . 1 1 53 53 ILE N N 53 119.537 119.537 120.477 -0.940 25411 228 1 1 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.660 -0.525 25411 229 1 1 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.295 -0.499 25411 230 1 1 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.560 -1.745 25411 231 1 1 . 1 1 53 53 ILE H H 53 8.336 8.336 8.330 0.006 25411 232 1 1 . 1 1 54 54 LYS N N 54 123.592 123.592 121.767 1.825 25411 233 1 1 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.090 0.015 25411 234 1 1 . 1 1 54 54 LYS CA C 54 59.972 59.972 59.536 0.436 25411 235 1 1 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.091 -0.343 25411 236 1 1 . 1 1 54 54 LYS H H 54 8.104 8.104 8.300 -0.196 25411 237 1 1 . 1 1 55 55 ARG N N 55 120.511 120.511 120.752 -0.241 25411 238 1 1 . 1 1 55 55 ARG HA H 55 4.301 4.301 3.904 0.397 25411 239 1 1 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.267 0.636 25411 240 1 1 . 1 1 55 55 ARG CB C 55 30.056 30.056 29.439 0.617 25411 241 1 1 . 1 1 55 55 ARG H H 55 9.196 9.196 8.253 0.943 25411 242 1 1 . 1 1 56 56 TRP N N 56 120.681 120.681 120.414 0.267 25411 243 1 1 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.223 0.480 25411 244 1 1 . 1 1 56 56 TRP CA C 56 59.406 59.406 59.159 0.247 25411 245 1 1 . 1 1 56 56 TRP CB C 56 30.014 30.014 28.508 1.506 25411 246 1 1 . 1 1 56 56 TRP H H 56 8.899 8.899 8.157 0.742 25411 247 1 1 . 1 1 57 57 ARG N N 57 122.115 122.115 119.915 2.200 25411 248 1 1 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.025 1.382 25411 249 1 1 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.022 1.005 25411 250 1 1 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.709 0.077 25411 251 1 1 . 1 1 57 57 ARG H H 57 9.210 9.210 7.819 1.391 25411 252 1 1 . 1 1 58 58 ARG N N 58 120.918 120.918 118.652 2.266 25411 253 1 1 . 1 1 58 58 ARG CA C 58 59.845 59.845 58.175 1.671 25411 254 1 1 . 1 1 58 58 ARG CB C 58 29.729 29.729 29.738 -0.009 25411 255 1 1 . 1 1 58 58 ARG H H 58 7.640 7.640 7.464 0.176 25411 256 1 1 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.758 0.006 25411 257 1 1 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.800 0.200 25411 258 1 1 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.429 -0.597 25411 259 1 1 . 1 1 59 59 VAL H H 59 7.916 7.916 7.695 0.221 25411 260 1 1 . 1 1 60 60 GLY N N 60 106.856 106.856 107.387 -0.531 25411 261 1 1 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.157 -1.076 25411 262 1 1 . 1 1 60 60 GLY H H 60 7.623 7.623 8.251 -0.628 25411 263 1 1 . 1 1 61 61 ASP N N 61 123.308 123.308 122.258 1.050 25411 264 1 1 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.510 -0.285 25411 265 1 1 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.966 -0.166 25411 266 1 1 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.630 -1.146 25411 267 1 1 . 1 1 61 61 ASP H H 61 8.203 8.203 8.052 0.151 25411 268 1 1 . 1 1 62 62 CYS N N 62 120.841 120.841 118.601 2.240 25411 269 1 1 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.089 0.149 25411 270 1 1 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.330 -1.380 25411 271 1 1 . 1 1 62 62 CYS CB C 62 26.503 26.503 27.019 -0.516 25411 272 1 1 . 1 1 62 62 CYS H H 62 7.795 7.795 7.658 0.137 25411 273 1 1 . 1 1 63 63 PHE N N 63 119.763 119.763 120.489 -0.726 25411 274 1 1 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.228 0.050 25411 275 1 1 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.707 -3.050 25411 276 1 1 . 1 1 63 63 PHE CB C 63 36.990 36.990 39.441 -2.451 25411 277 1 1 . 1 1 63 63 PHE H H 63 8.647 8.647 8.063 0.584 25411 278 1 1 . 1 1 64 64 GLN N N 64 118.578 118.578 119.016 -0.438 25411 279 1 1 . 1 1 64 64 GLN HA H 64 4.308 4.308 3.941 0.367 25411 280 1 1 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.935 0.398 25411 281 1 1 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.559 0.020 25411 282 1 1 . 1 1 64 64 GLN H H 64 8.261 8.261 8.570 -0.309 25411 283 1 1 . 1 1 65 65 ASP N N 65 119.534 119.534 121.469 -1.935 25411 284 1 1 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.350 0.134 25411 285 1 1 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.102 0.227 25411 286 1 1 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.947 -1.276 25411 287 1 1 . 1 1 65 65 ASP H H 65 8.338 8.338 8.506 -0.168 25411 288 1 1 . 1 1 66 66 TYR N N 66 123.600 123.600 121.972 1.628 25411 289 1 1 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.810 0.692 25411 290 1 1 . 1 1 66 66 TYR CA C 66 61.231 61.231 61.889 -0.658 25411 291 1 1 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.318 0.115 25411 292 1 1 . 1 1 66 66 TYR H H 66 7.804 7.804 8.222 -0.418 25411 293 1 1 . 1 1 67 67 TYR N N 67 122.825 122.825 117.857 4.968 25411 294 1 1 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.995 0.002 25411 295 1 1 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.648 0.255 25411 296 1 1 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.399 0.547 25411 297 1 1 . 1 1 67 67 TYR H H 67 9.100 9.100 8.084 1.016 25411 298 1 1 . 1 1 68 68 ASN N N 68 118.826 118.826 117.073 1.753 25411 299 1 1 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.331 -0.048 25411 300 1 1 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.841 -0.409 25411 301 1 1 . 1 1 68 68 ASN CB C 68 37.876 37.876 37.886 -0.010 25411 302 1 1 . 1 1 68 68 ASN H H 68 8.853 8.853 8.544 0.309 25411 303 1 1 . 1 1 69 69 THR N N 69 114.242 114.242 115.258 -1.016 25411 304 1 1 . 1 1 69 69 THR HA H 69 3.837 3.837 3.993 -0.156 25411 305 1 1 . 1 1 69 69 THR CA C 69 65.328 65.328 65.027 0.301 25411 306 1 1 . 1 1 69 69 THR CB C 69 69.249 69.249 68.365 0.884 25411 307 1 1 . 1 1 69 69 THR H H 69 7.847 7.847 7.988 -0.141 25411 308 1 1 . 1 1 70 70 PHE N N 70 117.970 117.970 118.634 -0.664 25411 309 1 1 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.314 0.250 25411 310 1 1 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.956 0.286 25411 311 1 1 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.304 2.770 25411 312 1 1 . 1 1 70 70 PHE H H 70 8.489 8.489 7.098 1.391 25411 313 1 1 . 1 1 71 71 GLY N N 71 109.516 109.516 108.111 1.405 25411 314 1 1 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.798 0.234 25411 315 1 1 . 1 1 71 71 GLY H H 71 7.968 7.968 7.468 0.500 25411 316 1 1 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.379 0.332 25411 317 1 1 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.291 1.006 25411 318 1 1 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.444 0.300 25411 319 1 1 . 1 1 73 73 GLU N N 73 117.720 117.720 126.809 -9.089 25411 320 1 1 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.049 -0.150 25411 321 1 1 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.683 0.053 25411 322 1 1 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.579 -0.716 25411 323 1 1 . 1 1 73 73 GLU H H 73 8.586 8.586 8.557 0.029 25411 324 1 1 . 1 1 74 74 LYS N N 74 116.974 116.974 118.753 -1.779 25411 325 1 1 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.412 -0.023 25411 326 1 1 . 1 1 74 74 LYS CA C 74 55.185 55.185 54.708 0.477 25411 327 1 1 . 1 1 74 74 LYS CB C 74 34.087 34.087 30.960 3.127 25411 328 1 1 . 1 1 74 74 LYS H H 74 7.505 7.505 8.159 -0.654 25411 329 1 1 . 1 1 75 75 VAL N N 75 117.309 117.309 123.558 -6.249 25411 330 1 1 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.221 0.092 25411 331 1 1 . 1 1 75 75 VAL CA C 75 62.045 62.045 61.284 0.761 25411 332 1 1 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.349 -0.365 25411 333 1 1 . 1 1 75 75 VAL H H 75 7.402 7.402 7.419 -0.017 25411 334 1 1 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.541 0.021 25411 335 1 1 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.798 -1.111 25411 336 1 1 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.517 -0.786 25411 337 1 1 . 1 1 77 77 VAL N N 77 120.870 120.870 121.931 -1.061 25411 338 1 1 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.177 -0.349 25411 339 1 1 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.231 1.607 25411 340 1 1 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.766 -0.379 25411 341 1 1 . 1 1 77 77 VAL H H 77 8.473 8.473 8.823 -0.350 25411 342 1 1 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.796 0.056 25411 343 1 1 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.085 -2.961 25411 344 1 1 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.978 0.157 25411 345 1 1 . 1 1 78 78 ILE H H 78 8.388 8.388 7.938 0.450 25411 346 1 1 . 1 1 79 79 ALA N N 79 123.960 123.960 122.392 1.568 25411 347 1 1 . 1 1 79 79 ALA HA H 79 3.890 3.890 3.925 -0.035 25411 348 1 1 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.608 0.281 25411 349 1 1 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.410 -0.787 25411 350 1 1 . 1 1 79 79 ALA H H 79 7.953 7.953 7.935 0.018 25411 351 1 1 . 1 1 80 80 PHE N N 80 114.330 114.330 114.701 -0.371 25411 352 1 1 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.396 0.035 25411 353 1 1 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.608 1.704 25411 354 1 1 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.144 -1.488 25411 355 1 1 . 1 1 80 80 PHE H H 80 7.499 7.499 8.018 -0.519 25411 356 1 1 . 1 1 81 81 SER N N 81 115.971 115.971 113.774 2.197 25411 357 1 1 . 1 1 81 81 SER HA H 81 4.206 4.206 4.457 -0.251 25411 358 1 1 . 1 1 81 81 SER CA C 81 58.432 58.432 59.612 -1.180 25411 359 1 1 . 1 1 81 81 SER CB C 81 63.575 63.575 63.480 0.095 25411 360 1 1 . 1 1 81 81 SER H H 81 8.225 8.225 7.433 0.792 25411 361 1 1 . 1 1 82 82 TYR N N 82 121.997 121.997 123.058 -1.061 25411 362 1 1 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.340 0.107 25411 363 1 1 . 1 1 82 82 TYR CA C 82 55.885 55.885 59.275 -3.390 25411 364 1 1 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.707 -0.869 25411 365 1 1 . 1 1 82 82 TYR H H 82 8.378 8.378 7.498 0.880 25411 366 1 1 . 1 1 83 83 TRP N N 83 120.268 120.268 118.920 1.348 25411 367 1 1 . 1 1 83 83 TRP CA C 83 57.393 57.393 59.327 -1.934 25411 368 1 1 . 1 1 83 83 TRP CB C 83 28.894 28.894 28.459 0.434 25411 369 1 1 . 1 1 83 83 TRP H H 83 8.546 8.546 8.831 -0.285 25411 370 1 1 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.036 0.184 25411 371 1 1 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.045 0.584 25411 372 1 1 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.633 1.432 25411 373 1 1 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.086 -0.040 25411 374 1 1 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.295 0.846 25411 375 1 1 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.848 -0.156 25411 376 1 1 . 1 1 86 86 ILE N N 86 117.000 117.000 120.246 -3.246 25411 377 1 1 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.652 -0.206 25411 378 1 1 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.700 -2.417 25411 379 1 1 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.324 -1.912 25411 380 1 1 . 1 1 86 86 ILE H H 86 7.882 7.882 7.896 -0.014 25411 381 1 1 . 1 1 87 87 LYS HA H 87 3.226 3.226 4.138 -0.912 25411 382 1 1 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.480 0.516 25411 383 1 1 . 1 1 87 87 LYS CB C 87 31.050 31.050 32.396 -1.346 25411 384 1 1 . 1 1 88 88 GLU N N 88 116.404 116.404 118.494 -2.090 25411 385 1 1 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.297 -0.450 25411 386 1 1 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.422 0.489 25411 387 1 1 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.778 -0.809 25411 388 1 1 . 1 1 88 88 GLU H H 88 7.689 7.689 7.731 -0.042 25411 389 1 1 . 1 1 89 89 LEU N N 89 118.193 118.193 121.680 -3.487 25411 390 1 1 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.145 -0.256 25411 391 1 1 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.905 1.058 25411 392 1 1 . 1 1 89 89 LEU CB C 89 41.300 41.300 41.875 -0.575 25411 393 1 1 . 1 1 89 89 LEU H H 89 7.415 7.415 8.025 -0.610 25411 394 1 1 . 1 1 90 90 ILE N N 90 115.471 115.471 121.084 -5.613 25411 395 1 1 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.615 -0.197 25411 396 1 1 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.243 0.665 25411 397 1 1 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.607 -0.013 25411 398 1 1 . 1 1 90 90 ILE H H 90 7.718 7.718 7.779 -0.061 25411 399 1 1 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.371 -0.651 25411 400 1 1 . 1 1 91 91 ASP CA C 91 57.664 57.664 57.272 0.392 25411 401 1 1 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.807 -0.275 25411 402 1 1 . 1 1 92 92 LYS N N 92 119.253 119.253 118.447 0.806 25411 403 1 1 . 1 1 92 92 LYS CA C 92 58.897 58.897 57.344 1.552 25411 404 1 1 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.478 -0.490 25411 405 1 1 . 1 1 92 92 LYS H H 92 7.869 7.869 7.697 0.172 25411 406 1 1 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.974 0.557 25411 407 1 1 . 1 1 93 93 LYS CA C 93 55.258 55.258 59.520 -4.262 25411 408 1 1 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.137 0.032 25411 409 1 1 . 1 1 94 94 GLU N N 94 116.729 116.729 119.148 -2.419 25411 410 1 1 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.158 -0.025 25411 411 1 1 . 1 1 94 94 GLU CA C 94 59.319 59.319 58.348 0.971 25411 412 1 1 . 1 1 94 94 GLU CB C 94 27.375 27.375 28.872 -1.497 25411 413 1 1 . 1 1 94 94 GLU H H 94 8.393 8.393 8.003 0.390 25411 414 1 1 . 1 1 95 95 VAL N N 95 121.696 121.696 118.684 3.012 25411 415 1 1 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.840 0.642 25411 416 1 1 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.767 2.954 25411 417 1 1 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.582 1.312 25411 418 1 1 . 1 1 95 95 VAL H H 95 7.923 7.923 7.822 0.101 25411 419 1 1 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.602 -0.244 25411 420 1 1 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.107 0.500 25411 421 1 1 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.791 -0.917 25411 422 1 1 . 1 1 98 98 GLN N N 98 117.731 117.731 119.906 -2.175 25411 423 1 1 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.024 -0.099 25411 424 1 1 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.438 0.170 25411 425 1 1 . 1 1 98 98 GLN CB C 98 28.521 28.521 28.038 0.483 25411 426 1 1 . 1 1 98 98 GLN H H 98 8.359 8.359 8.851 -0.492 25411 427 1 1 . 1 1 99 99 VAL N N 99 121.326 121.326 117.861 3.465 25411 428 1 1 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.702 -0.282 25411 429 1 1 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.499 0.905 25411 430 1 1 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.567 0.052 25411 431 1 1 . 1 1 99 99 VAL H H 99 7.901 7.901 8.057 -0.156 25411 432 1 1 . 1 1 100 100 MET N N 100 120.447 120.447 116.752 3.695 25411 433 1 1 . 1 1 100 100 MET HA H 100 3.812 3.812 4.299 -0.487 25411 434 1 1 . 1 1 100 100 MET CA C 100 59.297 59.297 58.106 1.191 25411 435 1 1 . 1 1 100 100 MET CB C 100 32.099 32.099 32.901 -0.802 25411 436 1 1 . 1 1 100 100 MET H H 100 7.509 7.509 7.463 0.046 25411 437 1 1 . 1 1 101 101 ALA N N 101 119.458 119.458 122.306 -2.848 25411 438 1 1 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.073 0.137 25411 439 1 1 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.707 0.045 25411 440 1 1 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.313 -0.792 25411 441 1 1 . 1 1 101 101 ALA H H 101 7.889 7.889 7.571 0.318 25411 442 1 1 . 1 1 102 102 ALA N N 102 119.627 119.627 120.725 -1.098 25411 443 1 1 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.096 -0.103 25411 444 1 1 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.381 0.507 25411 445 1 1 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.051 -0.707 25411 446 1 1 . 1 1 102 102 ALA H H 102 7.563 7.563 8.318 -0.755 25411 447 1 1 . 1 1 103 103 VAL N N 103 122.690 122.690 118.323 4.367 25411 448 1 1 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.757 0.316 25411 449 1 1 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.223 -3.538 25411 450 1 1 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.845 1.377 25411 451 1 1 . 1 1 103 103 VAL H H 103 8.828 8.828 7.636 1.192 25411 452 1 1 . 1 1 104 104 ALA N N 104 128.041 128.041 118.134 9.907 25411 453 1 1 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.253 0.016 25411 454 1 1 . 1 1 104 104 ALA CA C 104 52.141 52.141 52.905 -0.764 25411 455 1 1 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.155 0.785 25411 456 1 1 . 1 1 104 104 ALA H H 104 8.367 8.367 7.610 0.757 25411 457 1 1 . 1 1 105 105 GLN N N 105 120.265 120.265 118.617 1.648 25411 458 1 1 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.925 0.006 25411 459 1 1 . 1 1 105 105 GLN CB C 105 29.020 29.020 30.074 -1.054 25411 460 1 1 . 1 1 105 105 GLN H H 105 8.356 8.356 7.555 0.801 25411 461 1 1 . 1 1 106 106 THR HA H 106 4.320 4.320 4.091 0.229 25411 462 1 1 . 1 1 106 106 THR CA C 106 61.346 61.346 64.485 -3.139 25411 463 1 1 . 1 1 106 106 THR CB C 106 69.293 69.293 69.121 0.172 25411 464 1 1 . 1 1 107 107 GLU N N 107 122.706 122.706 118.144 4.562 25411 465 1 1 . 1 1 107 107 GLU HA H 107 4.182 4.182 3.911 0.271 25411 466 1 1 . 1 1 107 107 GLU CA C 107 56.576 56.576 56.915 -0.339 25411 467 1 1 . 1 1 107 107 GLU CB C 107 29.936 29.936 27.901 2.035 25411 468 1 1 . 1 1 107 107 GLU H H 107 8.404 8.404 7.850 0.554 25411 469 1 1 . 1 1 108 108 GLU N N 108 122.034 122.034 122.138 -0.104 25411 470 1 1 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.226 -0.065 25411 471 1 1 . 1 1 108 108 GLU CA C 108 56.649 56.649 56.843 -0.194 25411 472 1 1 . 1 1 108 108 GLU CB C 108 29.676 29.676 30.550 -0.874 25411 473 1 1 . 1 1 108 108 GLU H H 108 7.341 7.341 8.018 -0.677 25411 474 1 1 . 1 1 109 109 ILE N N 109 122.151 122.151 119.210 2.941 25411 475 1 1 . 1 1 109 109 ILE HA H 109 4.047 4.047 3.915 0.132 25411 476 1 1 . 1 1 109 109 ILE CA C 109 61.565 61.565 63.360 -1.795 25411 477 1 1 . 1 1 109 109 ILE CB C 109 38.104 38.104 37.468 0.636 25411 478 1 1 . 1 1 109 109 ILE H H 109 8.058 8.058 8.678 -0.620 25411 479 1 1 . 1 1 110 110 LEU N N 110 122.427 122.427 121.562 0.865 25411 480 1 1 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.052 0.224 25411 481 1 1 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.884 -1.733 25411 482 1 1 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.820 -8.565 25411 483 1 1 . 1 1 110 110 LEU H H 110 8.194 8.194 7.736 0.458 25411 484 1 1 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.153 0.094 25411 485 1 1 . 1 1 111 111 LYS CA C 111 56.137 56.137 57.033 -0.896 25411 486 1 1 . 1 1 111 111 LYS CB C 111 32.569 32.569 31.990 0.579 25411 487 1 1 . 1 1 112 112 SER N N 112 116.453 116.453 114.790 1.663 25411 488 1 1 . 1 1 112 112 SER HA H 112 4.175 4.175 4.047 0.128 25411 489 1 1 . 1 1 112 112 SER CA C 112 58.311 58.311 58.551 -0.240 25411 490 1 1 . 1 1 112 112 SER CB C 112 63.441 63.441 62.175 1.266 25411 491 1 1 . 1 1 112 112 SER H H 112 8.204 8.204 7.959 0.245 25411 492 1 1 . 1 1 113 113 ASN N N 113 119.747 119.747 115.339 4.408 25411 493 1 1 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.386 0.258 25411 494 1 1 . 1 1 113 113 ASN CA C 113 53.645 53.645 54.479 -0.834 25411 495 1 1 . 1 1 113 113 ASN CB C 113 38.646 38.646 38.065 0.581 25411 496 1 1 . 1 1 113 113 ASN H H 113 7.944 7.944 8.606 -0.662 25411 497 1 1 . 1 1 114 114 SER N N 114 115.433 115.433 111.934 3.499 25411 498 1 1 . 1 1 114 114 SER HA H 114 4.336 4.336 4.273 0.063 25411 499 1 1 . 1 1 114 114 SER CA C 114 58.711 58.711 58.516 0.195 25411 500 1 1 . 1 1 114 114 SER CB C 114 63.308 63.308 63.803 -0.495 25411 501 1 1 . 1 1 114 114 SER H H 114 7.962 7.962 7.718 0.244 25411 502 1 1 . 1 1 115 115 GLN N N 115 121.682 121.682 118.755 2.927 25411 503 1 1 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.100 0.174 25411 504 1 1 . 1 1 115 115 GLN CA C 115 56.193 56.193 58.477 -2.284 25411 505 1 1 . 1 1 115 115 GLN CB C 115 28.807 28.807 27.663 1.144 25411 506 1 1 . 1 1 115 115 GLN H H 115 8.207 8.207 8.554 -0.347 25411 507 1 1 . 1 1 116 116 THR N N 116 114.715 114.715 108.533 6.182 25411 508 1 1 . 1 1 116 116 THR HA H 116 4.225 4.225 4.465 -0.240 25411 509 1 1 . 1 1 116 116 THR CA C 116 62.109 62.109 59.308 2.801 25411 510 1 1 . 1 1 116 116 THR CB C 116 69.336 69.336 71.622 -2.286 25411 511 1 1 . 1 1 116 116 THR H H 116 8.062 8.062 7.320 0.742 25411 512 1 1 . 1 1 117 117 ASP N N 117 122.602 122.602 121.669 0.933 25411 513 1 1 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.349 0.219 25411 514 1 1 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.244 -2.040 25411 515 1 1 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.259 0.406 25411 516 1 1 . 1 1 117 117 ASP H H 117 8.065 8.065 8.596 -0.531 25411 517 1 1 . 1 1 118 118 LEU N N 118 122.140 122.140 119.027 3.113 25411 518 1 1 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.395 -0.240 25411 519 1 1 . 1 1 118 118 LEU CA C 118 55.423 55.423 54.105 1.318 25411 520 1 1 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.410 0.463 25411 521 1 1 . 1 1 118 118 LEU H H 118 8.085 8.085 7.226 0.859 25411 522 1 1 . 1 1 119 119 GLU N N 119 119.672 119.672 116.031 3.641 25411 523 1 1 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.854 0.214 25411 524 1 1 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.343 -0.778 25411 525 1 1 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.027 2.545 25411 526 1 1 . 1 1 119 119 GLU H H 119 8.143 8.143 7.556 0.587 25411 527 1 1 . 1 1 120 120 HIS N N 120 118.301 118.301 115.074 3.227 25411 528 1 1 . 1 1 120 120 HIS CA C 120 55.883 55.883 57.046 -1.163 25411 529 1 1 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.293 -0.023 25411 530 1 1 . 1 1 120 120 HIS H H 120 8.107 8.107 7.877 0.230 25411 531 1 1 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.854 -0.846 25411 532 1 1 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.331 -0.165 25411 533 1 1 . 1 1 121 121 HIS CB C 121 28.759 28.759 30.379 -1.620 25411 534 1 1 . 1 1 122 122 HIS N N 122 122.407 122.407 118.519 3.888 25411 535 1 1 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.744 -0.526 25411 536 1 1 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.231 1.850 25411 537 1 1 . 1 1 122 122 HIS CB C 122 29.371 29.371 33.071 -3.700 25411 538 1 1 . 1 1 122 122 HIS H H 122 8.489 8.489 8.257 0.232 25411 539 1 1 . 1 1 123 123 HIS N N 123 122.868 122.868 120.378 2.490 25411 540 1 1 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.395 -0.008 25411 541 1 1 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.321 -0.011 25411 542 1 1 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.050 0.452 25411 543 1 1 . 1 1 123 123 HIS H H 123 8.596 8.596 8.472 0.124 25411 544 1 1 . 1 1 124 124 HIS N N 124 123.734 123.734 123.431 0.303 25411 545 1 1 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.793 -0.236 25411 546 1 1 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.646 0.739 25411 547 1 1 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.675 0.683 25411 548 1 1 . 1 1 124 124 HIS H H 124 8.255 8.255 8.088 0.167 25411 549 1 2 . 1 1 3 3 GLN N N 3 122.360 122.360 120.270 2.090 25411 550 1 2 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.336 -0.448 25411 551 1 2 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.875 1.867 25411 552 1 2 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.826 -0.443 25411 553 1 2 . 1 1 3 3 GLN H H 3 9.398 9.398 8.528 0.870 25411 554 1 2 . 1 1 4 4 GLU N N 4 119.689 119.689 119.396 0.293 25411 555 1 2 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.217 0.457 25411 556 1 2 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.571 0.236 25411 557 1 2 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.848 -0.148 25411 558 1 2 . 1 1 4 4 GLU H H 4 7.464 7.464 8.824 -1.360 25411 559 1 2 . 1 1 5 5 LEU N N 5 114.872 114.872 122.341 -7.469 25411 560 1 2 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.097 -0.396 25411 561 1 2 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.116 -0.378 25411 562 1 2 . 1 1 5 5 LEU CB C 5 40.815 40.815 42.000 -1.185 25411 563 1 2 . 1 1 5 5 LEU H H 5 8.206 8.206 7.487 0.719 25411 564 1 2 . 1 1 6 6 SER N N 6 109.762 109.762 113.804 -4.042 25411 565 1 2 . 1 1 6 6 SER HA H 6 4.092 4.092 4.084 0.008 25411 566 1 2 . 1 1 6 6 SER CA C 6 60.415 60.415 61.536 -1.121 25411 567 1 2 . 1 1 6 6 SER CB C 6 63.391 63.391 62.558 0.833 25411 568 1 2 . 1 1 6 6 SER H H 6 8.253 8.253 7.968 0.285 25411 569 1 2 . 1 1 7 7 GLN N N 7 117.498 117.498 122.768 -5.270 25411 570 1 2 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.111 -0.156 25411 571 1 2 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.610 -0.185 25411 572 1 2 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.520 0.219 25411 573 1 2 . 1 1 7 7 GLN H H 7 8.673 8.673 7.675 0.998 25411 574 1 2 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.272 -0.475 25411 575 1 2 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.618 -0.563 25411 576 1 2 . 1 1 8 8 HIS CB C 8 29.109 29.109 29.601 -0.492 25411 577 1 2 . 1 1 9 9 GLU N N 9 120.354 120.354 120.068 0.286 25411 578 1 2 . 1 1 9 9 GLU HA H 9 3.959 3.959 3.430 0.529 25411 579 1 2 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.000 1.258 25411 580 1 2 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.453 -0.226 25411 581 1 2 . 1 1 9 9 GLU H H 9 7.690 7.690 8.199 -0.509 25411 582 1 2 . 1 1 10 10 ARG N N 10 118.753 118.753 119.657 -0.904 25411 583 1 2 . 1 1 10 10 ARG HA H 10 4.099 4.099 3.923 0.176 25411 584 1 2 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.321 -1.100 25411 585 1 2 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.098 -1.002 25411 586 1 2 . 1 1 10 10 ARG H H 10 8.928 8.928 7.916 1.012 25411 587 1 2 . 1 1 11 11 TYR N N 11 121.288 121.288 119.108 2.180 25411 588 1 2 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.241 -0.052 25411 589 1 2 . 1 1 11 11 TYR CA C 11 61.236 61.236 61.837 -0.600 25411 590 1 2 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.288 -0.427 25411 591 1 2 . 1 1 11 11 TYR H H 11 7.562 7.562 8.533 -0.971 25411 592 1 2 . 1 1 12 12 VAL N N 12 119.304 119.304 119.310 -0.006 25411 593 1 2 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.656 -0.573 25411 594 1 2 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.285 0.550 25411 595 1 2 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.076 0.023 25411 596 1 2 . 1 1 12 12 VAL H H 12 8.075 8.075 7.809 0.266 25411 597 1 2 . 1 1 13 13 GLU N N 13 119.685 119.685 119.662 0.023 25411 598 1 2 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.028 0.127 25411 599 1 2 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.226 0.199 25411 600 1 2 . 1 1 13 13 GLU CB C 13 29.188 29.188 28.862 0.326 25411 601 1 2 . 1 1 13 13 GLU H H 13 8.278 8.278 7.682 0.596 25411 602 1 2 . 1 1 14 14 GLN N N 14 119.682 119.682 120.158 -0.476 25411 603 1 2 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.061 -0.405 25411 604 1 2 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.861 1.108 25411 605 1 2 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.338 1.335 25411 606 1 2 . 1 1 14 14 GLN H H 14 7.653 7.653 8.278 -0.625 25411 607 1 2 . 1 1 15 15 LEU N N 15 121.000 121.000 119.960 1.040 25411 608 1 2 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.064 -0.143 25411 609 1 2 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.950 0.505 25411 610 1 2 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.332 -0.572 25411 611 1 2 . 1 1 15 15 LEU H H 15 8.402 8.402 8.640 -0.238 25411 612 1 2 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.880 -0.184 25411 613 1 2 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.242 0.015 25411 614 1 2 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.273 -0.138 25411 615 1 2 . 1 1 17 17 GLN N N 17 117.558 117.558 118.516 -0.958 25411 616 1 2 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.087 -0.200 25411 617 1 2 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.693 -0.251 25411 618 1 2 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.766 -0.721 25411 619 1 2 . 1 1 17 17 GLN H H 17 7.849 7.849 7.861 -0.012 25411 620 1 2 . 1 1 18 18 ALA N N 18 120.288 120.288 123.213 -2.925 25411 621 1 2 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.211 -0.423 25411 622 1 2 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.888 0.005 25411 623 1 2 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.678 -1.282 25411 624 1 2 . 1 1 18 18 ALA H H 18 8.504 8.504 8.437 0.067 25411 625 1 2 . 1 1 19 19 LEU N N 19 116.974 116.974 118.401 -1.427 25411 626 1 2 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.091 -0.332 25411 627 1 2 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.923 0.629 25411 628 1 2 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.759 -1.066 25411 629 1 2 . 1 1 19 19 LEU H H 19 8.143 8.143 8.564 -0.421 25411 630 1 2 . 1 1 20 20 LYS N N 20 117.776 117.776 121.882 -4.106 25411 631 1 2 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.112 -0.157 25411 632 1 2 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.542 0.002 25411 633 1 2 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.444 -1.958 25411 634 1 2 . 1 1 20 20 LYS H H 20 8.340 8.340 8.070 0.270 25411 635 1 2 . 1 1 21 21 THR N N 21 116.373 116.373 111.951 4.422 25411 636 1 2 . 1 1 21 21 THR HA H 21 4.107 4.107 4.223 -0.116 25411 637 1 2 . 1 1 21 21 THR CA C 21 64.611 64.611 64.565 0.046 25411 638 1 2 . 1 1 21 21 THR CB C 21 68.811 68.811 68.508 0.303 25411 639 1 2 . 1 1 21 21 THR H H 21 7.302 7.302 7.925 -0.623 25411 640 1 2 . 1 1 22 22 ARG N N 22 118.647 118.647 120.510 -1.863 25411 641 1 2 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.499 -0.137 25411 642 1 2 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.621 -1.556 25411 643 1 2 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.180 -1.652 25411 644 1 2 . 1 1 22 22 ARG H H 22 7.290 7.290 7.751 -0.461 25411 645 1 2 . 1 1 23 23 GLY N N 23 108.637 108.637 107.934 0.703 25411 646 1 2 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.643 0.469 25411 647 1 2 . 1 1 23 23 GLY H H 23 7.881 7.881 7.693 0.188 25411 648 1 2 . 1 1 24 24 VAL N N 24 117.390 117.390 123.047 -5.657 25411 649 1 2 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.880 0.134 25411 650 1 2 . 1 1 24 24 VAL CA C 24 61.668 61.668 62.083 -0.415 25411 651 1 2 . 1 1 24 24 VAL CB C 24 32.372 32.372 28.578 3.794 25411 652 1 2 . 1 1 24 24 VAL H H 24 7.333 7.333 7.601 -0.268 25411 653 1 2 . 1 1 25 25 LYS N N 25 127.322 127.322 119.241 8.081 25411 654 1 2 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.852 0.480 25411 655 1 2 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.880 -2.119 25411 656 1 2 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.427 0.334 25411 657 1 2 . 1 1 25 25 LYS H H 25 8.722 8.722 8.252 0.470 25411 658 1 2 . 1 1 26 26 VAL N N 26 120.568 120.568 120.458 0.110 25411 659 1 2 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.251 -0.173 25411 660 1 2 . 1 1 26 26 VAL CA C 26 60.665 60.665 60.720 -0.055 25411 661 1 2 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.300 0.347 25411 662 1 2 . 1 1 26 26 VAL H H 26 7.119 7.119 8.204 -1.085 25411 663 1 2 . 1 1 27 27 LYS N N 27 125.675 125.675 123.619 2.056 25411 664 1 2 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.333 -0.007 25411 665 1 2 . 1 1 27 27 LYS CA C 27 55.411 55.411 54.672 0.739 25411 666 1 2 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.718 -2.759 25411 667 1 2 . 1 1 27 27 LYS H H 27 8.570 8.570 8.066 0.504 25411 668 1 2 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.613 -0.596 25411 669 1 2 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.332 -1.920 25411 670 1 2 . 1 1 28 28 TYR CB C 28 40.840 40.840 39.221 1.619 25411 671 1 2 . 1 1 29 29 ALA N N 29 120.743 120.743 128.020 -7.277 25411 672 1 2 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.218 -0.550 25411 673 1 2 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.209 -0.531 25411 674 1 2 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.283 -1.283 25411 675 1 2 . 1 1 29 29 ALA H H 29 8.323 8.323 8.882 -0.559 25411 676 1 2 . 1 1 30 30 ASP N N 30 117.202 117.202 117.363 -0.161 25411 677 1 2 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.302 -0.021 25411 678 1 2 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.062 0.491 25411 679 1 2 . 1 1 30 30 ASP CB C 30 39.807 39.807 40.026 -0.219 25411 680 1 2 . 1 1 30 30 ASP H H 30 6.872 6.872 8.424 -1.552 25411 681 1 2 . 1 1 31 31 LEU N N 31 122.273 122.273 119.791 2.482 25411 682 1 2 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.407 -0.861 25411 683 1 2 . 1 1 31 31 LEU CA C 31 56.725 56.725 57.156 -0.431 25411 684 1 2 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.470 -1.812 25411 685 1 2 . 1 1 31 31 LEU H H 31 7.433 7.433 7.728 -0.295 25411 686 1 2 . 1 1 32 32 LEU N N 32 123.376 123.376 118.193 5.183 25411 687 1 2 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.116 -0.501 25411 688 1 2 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.880 0.216 25411 689 1 2 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.718 -1.175 25411 690 1 2 . 1 1 32 32 LEU H H 32 8.727 8.727 7.850 0.877 25411 691 1 2 . 1 1 33 33 LYS N N 33 118.078 118.078 120.709 -2.631 25411 692 1 2 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.258 -0.045 25411 693 1 2 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.439 -0.341 25411 694 1 2 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.255 -0.365 25411 695 1 2 . 1 1 33 33 LYS H H 33 7.149 7.149 7.646 -0.497 25411 696 1 2 . 1 1 34 34 PHE N N 34 117.398 117.398 120.566 -3.168 25411 697 1 2 . 1 1 34 34 PHE CA C 34 56.695 56.695 60.123 -3.428 25411 698 1 2 . 1 1 34 34 PHE CB C 34 41.219 41.219 38.836 2.383 25411 699 1 2 . 1 1 34 34 PHE H H 34 7.633 7.633 8.299 -0.666 25411 700 1 2 . 1 1 35 35 PHE HA H 35 3.793 3.793 3.856 -0.063 25411 701 1 2 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.942 -0.350 25411 702 1 2 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.166 -2.152 25411 703 1 2 . 1 1 36 36 ASP N N 36 120.136 120.136 119.968 0.168 25411 704 1 2 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.408 -0.312 25411 705 1 2 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.606 -0.665 25411 706 1 2 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.462 -1.358 25411 707 1 2 . 1 1 36 36 ASP H H 36 8.330 8.330 8.658 -0.328 25411 708 1 2 . 1 1 37 37 PHE N N 37 121.883 121.883 121.051 0.832 25411 709 1 2 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.143 0.115 25411 710 1 2 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.342 -1.644 25411 711 1 2 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.286 0.899 25411 712 1 2 . 1 1 37 37 PHE H H 37 7.794 7.794 8.567 -0.773 25411 713 1 2 . 1 1 38 38 VAL N N 38 118.525 118.525 118.908 -0.383 25411 714 1 2 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.805 -0.766 25411 715 1 2 . 1 1 38 38 VAL CA C 38 66.882 66.882 65.780 1.102 25411 716 1 2 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.097 -0.409 25411 717 1 2 . 1 1 38 38 VAL H H 38 8.262 8.262 7.831 0.431 25411 718 1 2 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.919 -0.463 25411 719 1 2 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.026 0.028 25411 720 1 2 . 1 1 39 39 LYS CB C 39 31.696 31.696 32.174 -0.478 25411 721 1 2 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.557 -0.112 25411 722 1 2 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.320 0.665 25411 723 1 2 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.693 -1.001 25411 724 1 2 . 1 1 41 41 ILE N N 41 120.641 120.641 119.005 1.636 25411 725 1 2 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.029 -0.004 25411 726 1 2 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.508 -2.856 25411 727 1 2 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.536 -0.472 25411 728 1 2 . 1 1 41 41 ILE H H 41 8.788 8.788 8.134 0.654 25411 729 1 2 . 1 1 42 42 CYS N N 42 117.896 117.896 112.569 5.327 25411 730 1 2 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.315 0.857 25411 731 1 2 . 1 1 42 42 CYS CB C 42 28.324 28.324 28.062 0.262 25411 732 1 2 . 1 1 42 42 CYS H H 42 7.180 7.180 7.478 -0.298 25411 733 1 2 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.084 0.231 25411 734 1 2 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.905 0.098 25411 735 1 2 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.065 -0.350 25411 736 1 2 . 1 1 44 44 TRP N N 44 113.823 113.823 116.014 -2.191 25411 737 1 2 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.431 -0.126 25411 738 1 2 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.612 -2.214 25411 739 1 2 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.462 -1.651 25411 740 1 2 . 1 1 44 44 TRP H H 44 6.591 6.591 7.791 -1.200 25411 741 1 2 . 1 1 45 45 PHE N N 45 123.100 123.100 116.224 6.876 25411 742 1 2 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.005 -1.004 25411 743 1 2 . 1 1 45 45 PHE CA C 45 62.809 62.809 55.163 7.646 25411 744 1 2 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.059 -3.123 25411 745 1 2 . 1 1 45 45 PHE H H 45 7.239 7.239 7.978 -0.739 25411 746 1 2 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.259 -0.247 25411 747 1 2 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.371 0.160 25411 748 1 2 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.673 -1.186 25411 749 1 2 . 1 1 47 47 GLN N N 47 114.502 114.502 116.263 -1.761 25411 750 1 2 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.171 -0.234 25411 751 1 2 . 1 1 47 47 GLN CA C 47 58.404 58.404 57.734 0.670 25411 752 1 2 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.808 0.512 25411 753 1 2 . 1 1 47 47 GLN H H 47 6.518 6.518 8.505 -1.987 25411 754 1 2 . 1 1 48 48 GLU N N 48 117.358 117.358 119.196 -1.838 25411 755 1 2 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.241 -0.203 25411 756 1 2 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.723 1.449 25411 757 1 2 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.442 -1.488 25411 758 1 2 . 1 1 48 48 GLU H H 48 7.318 7.318 7.952 -0.634 25411 759 1 2 . 1 1 49 49 GLY N N 49 105.534 105.534 108.711 -3.177 25411 760 1 2 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.861 1.442 25411 761 1 2 . 1 1 49 49 GLY H H 49 7.296 7.296 7.964 -0.668 25411 762 1 2 . 1 1 50 50 THR N N 50 114.069 114.069 112.825 1.244 25411 763 1 2 . 1 1 50 50 THR HA H 50 4.234 4.234 4.441 -0.207 25411 764 1 2 . 1 1 50 50 THR CA C 50 61.683 61.683 60.395 1.288 25411 765 1 2 . 1 1 50 50 THR CB C 50 70.718 70.718 70.926 -0.208 25411 766 1 2 . 1 1 50 50 THR H H 50 7.597 7.597 7.589 0.008 25411 767 1 2 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.388 -0.263 25411 768 1 2 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.133 -1.263 25411 769 1 2 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.150 -3.862 25411 770 1 2 . 1 1 52 52 ASP N N 52 121.791 121.791 124.926 -3.135 25411 771 1 2 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.859 -0.236 25411 772 1 2 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.977 -1.245 25411 773 1 2 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.452 -1.991 25411 774 1 2 . 1 1 52 52 ASP H H 52 7.168 7.168 8.168 -1.000 25411 775 1 2 . 1 1 53 53 ILE N N 53 119.537 119.537 119.888 -0.351 25411 776 1 2 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.628 -0.493 25411 777 1 2 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.428 -0.631 25411 778 1 2 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.654 -1.839 25411 779 1 2 . 1 1 53 53 ILE H H 53 8.336 8.336 8.448 -0.112 25411 780 1 2 . 1 1 54 54 LYS N N 54 123.592 123.592 122.273 1.319 25411 781 1 2 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.234 -0.129 25411 782 1 2 . 1 1 54 54 LYS CA C 54 59.972 59.972 59.283 0.689 25411 783 1 2 . 1 1 54 54 LYS CB C 54 31.748 31.748 31.534 0.214 25411 784 1 2 . 1 1 54 54 LYS H H 54 8.104 8.104 8.518 -0.414 25411 785 1 2 . 1 1 55 55 ARG N N 55 120.511 120.511 119.370 1.141 25411 786 1 2 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.161 0.140 25411 787 1 2 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.062 0.841 25411 788 1 2 . 1 1 55 55 ARG CB C 55 30.056 30.056 29.334 0.722 25411 789 1 2 . 1 1 55 55 ARG H H 55 9.196 9.196 8.573 0.623 25411 790 1 2 . 1 1 56 56 TRP N N 56 120.681 120.681 123.242 -2.561 25411 791 1 2 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.395 0.308 25411 792 1 2 . 1 1 56 56 TRP CA C 56 59.406 59.406 58.927 0.479 25411 793 1 2 . 1 1 56 56 TRP CB C 56 30.014 30.014 28.503 1.510 25411 794 1 2 . 1 1 56 56 TRP H H 56 8.899 8.899 8.181 0.718 25411 795 1 2 . 1 1 57 57 ARG N N 57 122.115 122.115 120.534 1.581 25411 796 1 2 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.266 1.141 25411 797 1 2 . 1 1 57 57 ARG CA C 57 60.027 60.027 58.946 1.081 25411 798 1 2 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.483 0.303 25411 799 1 2 . 1 1 57 57 ARG H H 57 9.210 9.210 7.831 1.379 25411 800 1 2 . 1 1 58 58 ARG N N 58 120.918 120.918 119.566 1.352 25411 801 1 2 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.490 0.355 25411 802 1 2 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.087 -0.358 25411 803 1 2 . 1 1 58 58 ARG H H 58 7.640 7.640 7.511 0.129 25411 804 1 2 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.842 -0.078 25411 805 1 2 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.542 0.458 25411 806 1 2 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.794 -0.962 25411 807 1 2 . 1 1 59 59 VAL H H 59 7.916 7.916 7.839 0.077 25411 808 1 2 . 1 1 60 60 GLY N N 60 106.856 106.856 107.411 -0.555 25411 809 1 2 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.341 -1.260 25411 810 1 2 . 1 1 60 60 GLY H H 60 7.623 7.623 8.458 -0.835 25411 811 1 2 . 1 1 61 61 ASP N N 61 123.308 123.308 122.589 0.719 25411 812 1 2 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.891 -0.666 25411 813 1 2 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.321 -0.520 25411 814 1 2 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.825 -1.341 25411 815 1 2 . 1 1 61 61 ASP H H 61 8.203 8.203 8.010 0.193 25411 816 1 2 . 1 1 62 62 CYS N N 62 120.841 120.841 118.612 2.229 25411 817 1 2 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.091 0.147 25411 818 1 2 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.463 -1.513 25411 819 1 2 . 1 1 62 62 CYS CB C 62 26.503 26.503 27.621 -1.118 25411 820 1 2 . 1 1 62 62 CYS H H 62 7.795 7.795 7.717 0.078 25411 821 1 2 . 1 1 63 63 PHE N N 63 119.763 119.763 120.656 -0.893 25411 822 1 2 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.223 0.055 25411 823 1 2 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.936 -3.279 25411 824 1 2 . 1 1 63 63 PHE CB C 63 36.990 36.990 39.431 -2.441 25411 825 1 2 . 1 1 63 63 PHE H H 63 8.647 8.647 8.077 0.570 25411 826 1 2 . 1 1 64 64 GLN N N 64 118.578 118.578 119.204 -0.626 25411 827 1 2 . 1 1 64 64 GLN HA H 64 4.308 4.308 3.974 0.334 25411 828 1 2 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.391 0.942 25411 829 1 2 . 1 1 64 64 GLN CB C 64 28.579 28.579 27.866 0.713 25411 830 1 2 . 1 1 64 64 GLN H H 64 8.261 8.261 8.488 -0.227 25411 831 1 2 . 1 1 65 65 ASP N N 65 119.534 119.534 121.737 -2.203 25411 832 1 2 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.351 0.133 25411 833 1 2 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.303 0.026 25411 834 1 2 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.913 -1.242 25411 835 1 2 . 1 1 65 65 ASP H H 65 8.338 8.338 8.472 -0.134 25411 836 1 2 . 1 1 66 66 TYR N N 66 123.600 123.600 122.060 1.540 25411 837 1 2 . 1 1 66 66 TYR HA H 66 4.502 4.502 4.047 0.455 25411 838 1 2 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.047 -0.816 25411 839 1 2 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.371 0.062 25411 840 1 2 . 1 1 66 66 TYR H H 66 7.804 7.804 8.335 -0.531 25411 841 1 2 . 1 1 67 67 TYR N N 67 122.825 122.825 118.802 4.023 25411 842 1 2 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.682 0.315 25411 843 1 2 . 1 1 67 67 TYR CA C 67 61.903 61.903 60.859 1.044 25411 844 1 2 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.052 0.894 25411 845 1 2 . 1 1 67 67 TYR H H 67 9.100 9.100 8.321 0.779 25411 846 1 2 . 1 1 68 68 ASN N N 68 118.826 118.826 116.640 2.186 25411 847 1 2 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.105 0.178 25411 848 1 2 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.360 0.072 25411 849 1 2 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.374 -0.498 25411 850 1 2 . 1 1 68 68 ASN H H 68 8.853 8.853 8.261 0.593 25411 851 1 2 . 1 1 69 69 THR N N 69 114.242 114.242 113.364 0.878 25411 852 1 2 . 1 1 69 69 THR HA H 69 3.837 3.837 3.760 0.077 25411 853 1 2 . 1 1 69 69 THR CA C 69 65.328 65.328 65.585 -0.257 25411 854 1 2 . 1 1 69 69 THR CB C 69 69.249 69.249 68.568 0.681 25411 855 1 2 . 1 1 69 69 THR H H 69 7.847 7.847 7.870 -0.023 25411 856 1 2 . 1 1 70 70 PHE N N 70 117.970 117.970 116.488 1.482 25411 857 1 2 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.577 -0.013 25411 858 1 2 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.281 0.961 25411 859 1 2 . 1 1 70 70 PHE CB C 70 41.074 41.074 39.944 1.130 25411 860 1 2 . 1 1 70 70 PHE H H 70 8.489 8.489 7.232 1.257 25411 861 1 2 . 1 1 71 71 GLY N N 71 109.516 109.516 106.941 2.575 25411 862 1 2 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.340 0.692 25411 863 1 2 . 1 1 71 71 GLY H H 71 7.968 7.968 8.127 -0.159 25411 864 1 2 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.346 0.365 25411 865 1 2 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.599 0.698 25411 866 1 2 . 1 1 72 72 PRO CB C 72 31.744 31.744 32.198 -0.454 25411 867 1 2 . 1 1 73 73 GLU N N 73 117.720 117.720 123.832 -6.112 25411 868 1 2 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.108 -0.209 25411 869 1 2 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.690 0.046 25411 870 1 2 . 1 1 73 73 GLU CB C 73 28.863 28.863 30.168 -1.305 25411 871 1 2 . 1 1 73 73 GLU H H 73 8.586 8.586 8.801 -0.215 25411 872 1 2 . 1 1 74 74 LYS N N 74 116.974 116.974 117.665 -0.691 25411 873 1 2 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.450 -0.061 25411 874 1 2 . 1 1 74 74 LYS CA C 74 55.185 55.185 56.416 -1.231 25411 875 1 2 . 1 1 74 74 LYS CB C 74 34.087 34.087 34.150 -0.063 25411 876 1 2 . 1 1 74 74 LYS H H 74 7.505 7.505 8.222 -0.717 25411 877 1 2 . 1 1 75 75 VAL N N 75 117.309 117.309 121.490 -4.181 25411 878 1 2 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.453 -0.140 25411 879 1 2 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.156 1.889 25411 880 1 2 . 1 1 75 75 VAL CB C 75 31.984 31.984 33.072 -1.088 25411 881 1 2 . 1 1 75 75 VAL H H 75 7.402 7.402 7.747 -0.345 25411 882 1 2 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.670 -0.108 25411 883 1 2 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.993 -1.306 25411 884 1 2 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.743 -1.012 25411 885 1 2 . 1 1 77 77 VAL N N 77 120.870 120.870 123.829 -2.959 25411 886 1 2 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.230 -0.402 25411 887 1 2 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.068 1.770 25411 888 1 2 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.185 -0.798 25411 889 1 2 . 1 1 77 77 VAL H H 77 8.473 8.473 8.733 -0.260 25411 890 1 2 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.884 -0.032 25411 891 1 2 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.385 -3.260 25411 892 1 2 . 1 1 78 78 ILE CB C 78 37.135 37.135 37.177 -0.042 25411 893 1 2 . 1 1 78 78 ILE H H 78 8.388 8.388 8.133 0.255 25411 894 1 2 . 1 1 79 79 ALA N N 79 123.960 123.960 123.334 0.626 25411 895 1 2 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.191 -0.301 25411 896 1 2 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.414 0.475 25411 897 1 2 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.396 -0.773 25411 898 1 2 . 1 1 79 79 ALA H H 79 7.953 7.953 7.692 0.261 25411 899 1 2 . 1 1 80 80 PHE N N 80 114.330 114.330 114.646 -0.316 25411 900 1 2 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.562 -0.131 25411 901 1 2 . 1 1 80 80 PHE CA C 80 61.312 61.312 60.147 1.165 25411 902 1 2 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.223 -1.567 25411 903 1 2 . 1 1 80 80 PHE H H 80 7.499 7.499 8.194 -0.695 25411 904 1 2 . 1 1 81 81 SER N N 81 115.971 115.971 115.749 0.222 25411 905 1 2 . 1 1 81 81 SER HA H 81 4.206 4.206 4.436 -0.230 25411 906 1 2 . 1 1 81 81 SER CA C 81 58.432 58.432 59.740 -1.308 25411 907 1 2 . 1 1 81 81 SER CB C 81 63.575 63.575 63.289 0.286 25411 908 1 2 . 1 1 81 81 SER H H 81 8.225 8.225 7.804 0.421 25411 909 1 2 . 1 1 82 82 TYR N N 82 121.997 121.997 123.104 -1.107 25411 910 1 2 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.210 0.237 25411 911 1 2 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.312 -4.427 25411 912 1 2 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.457 -0.619 25411 913 1 2 . 1 1 82 82 TYR H H 82 8.378 8.378 7.878 0.500 25411 914 1 2 . 1 1 83 83 TRP N N 83 120.268 120.268 118.587 1.681 25411 915 1 2 . 1 1 83 83 TRP CA C 83 57.393 57.393 60.196 -2.803 25411 916 1 2 . 1 1 83 83 TRP CB C 83 28.894 28.894 28.586 0.308 25411 917 1 2 . 1 1 83 83 TRP H H 83 8.546 8.546 8.422 0.124 25411 918 1 2 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.525 -0.305 25411 919 1 2 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.705 -0.076 25411 920 1 2 . 1 1 84 84 ASN CB C 84 39.065 39.065 38.230 0.835 25411 921 1 2 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.189 -0.143 25411 922 1 2 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.143 0.999 25411 923 1 2 . 1 1 85 85 LEU CB C 85 41.692 41.692 42.080 -0.387 25411 924 1 2 . 1 1 86 86 ILE N N 86 117.000 117.000 120.366 -3.366 25411 925 1 2 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.579 -0.133 25411 926 1 2 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.681 -2.398 25411 927 1 2 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.134 -1.722 25411 928 1 2 . 1 1 86 86 ILE H H 86 7.882 7.882 7.866 0.016 25411 929 1 2 . 1 1 87 87 LYS HA H 87 3.226 3.226 4.049 -0.823 25411 930 1 2 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.711 0.285 25411 931 1 2 . 1 1 87 87 LYS CB C 87 31.050 31.050 32.342 -1.292 25411 932 1 2 . 1 1 88 88 GLU N N 88 116.404 116.404 118.965 -2.561 25411 933 1 2 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.309 -0.462 25411 934 1 2 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.108 0.802 25411 935 1 2 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.743 -0.774 25411 936 1 2 . 1 1 88 88 GLU H H 88 7.689 7.689 7.720 -0.031 25411 937 1 2 . 1 1 89 89 LEU N N 89 118.193 118.193 121.718 -3.525 25411 938 1 2 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.166 -0.277 25411 939 1 2 . 1 1 89 89 LEU CA C 89 57.963 57.963 57.283 0.680 25411 940 1 2 . 1 1 89 89 LEU CB C 89 41.300 41.300 41.966 -0.666 25411 941 1 2 . 1 1 89 89 LEU H H 89 7.415 7.415 7.967 -0.552 25411 942 1 2 . 1 1 90 90 ILE N N 90 115.471 115.471 120.903 -5.432 25411 943 1 2 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.636 -0.218 25411 944 1 2 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.244 0.664 25411 945 1 2 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.668 -0.074 25411 946 1 2 . 1 1 90 90 ILE H H 90 7.718 7.718 7.750 -0.032 25411 947 1 2 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.421 -0.701 25411 948 1 2 . 1 1 91 91 ASP CA C 91 57.664 57.664 57.277 0.387 25411 949 1 2 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.837 -0.305 25411 950 1 2 . 1 1 92 92 LYS N N 92 119.253 119.253 118.116 1.137 25411 951 1 2 . 1 1 92 92 LYS CA C 92 58.897 58.897 55.991 2.906 25411 952 1 2 . 1 1 92 92 LYS CB C 92 31.988 31.988 31.913 0.075 25411 953 1 2 . 1 1 92 92 LYS H H 92 7.869 7.869 7.915 -0.046 25411 954 1 2 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.043 0.488 25411 955 1 2 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.885 -3.627 25411 956 1 2 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.058 0.111 25411 957 1 2 . 1 1 94 94 GLU N N 94 116.729 116.729 120.875 -4.146 25411 958 1 2 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.082 0.051 25411 959 1 2 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.254 0.065 25411 960 1 2 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.364 -1.989 25411 961 1 2 . 1 1 94 94 GLU H H 94 8.393 8.393 7.707 0.686 25411 962 1 2 . 1 1 95 95 VAL N N 95 121.696 121.696 116.948 4.748 25411 963 1 2 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.882 0.600 25411 964 1 2 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.406 3.315 25411 965 1 2 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.549 1.345 25411 966 1 2 . 1 1 95 95 VAL H H 95 7.923 7.923 7.775 0.148 25411 967 1 2 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.824 -0.466 25411 968 1 2 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.432 0.174 25411 969 1 2 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.819 -0.945 25411 970 1 2 . 1 1 98 98 GLN N N 98 117.731 117.731 118.921 -1.190 25411 971 1 2 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.098 -0.173 25411 972 1 2 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.313 0.295 25411 973 1 2 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.835 0.685 25411 974 1 2 . 1 1 98 98 GLN H H 98 8.359 8.359 8.595 -0.236 25411 975 1 2 . 1 1 99 99 VAL N N 99 121.326 121.326 118.709 2.617 25411 976 1 2 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.726 -0.306 25411 977 1 2 . 1 1 99 99 VAL CA C 99 66.404 66.404 66.363 0.041 25411 978 1 2 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.560 0.059 25411 979 1 2 . 1 1 99 99 VAL H H 99 7.901 7.901 8.270 -0.369 25411 980 1 2 . 1 1 100 100 MET N N 100 120.447 120.447 116.544 3.903 25411 981 1 2 . 1 1 100 100 MET HA H 100 3.812 3.812 4.315 -0.503 25411 982 1 2 . 1 1 100 100 MET CA C 100 59.297 59.297 58.198 1.099 25411 983 1 2 . 1 1 100 100 MET CB C 100 32.099 32.099 32.983 -0.884 25411 984 1 2 . 1 1 100 100 MET H H 100 7.509 7.509 7.484 0.025 25411 985 1 2 . 1 1 101 101 ALA N N 101 119.458 119.458 121.564 -2.106 25411 986 1 2 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.135 0.075 25411 987 1 2 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.242 0.510 25411 988 1 2 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.457 -0.936 25411 989 1 2 . 1 1 101 101 ALA H H 101 7.889 7.889 7.577 0.312 25411 990 1 2 . 1 1 102 102 ALA N N 102 119.627 119.627 120.906 -1.279 25411 991 1 2 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.187 -0.194 25411 992 1 2 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.381 0.507 25411 993 1 2 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.485 -1.141 25411 994 1 2 . 1 1 102 102 ALA H H 102 7.563 7.563 8.372 -0.809 25411 995 1 2 . 1 1 103 103 VAL N N 103 122.690 122.690 118.648 4.042 25411 996 1 2 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.934 0.139 25411 997 1 2 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.898 -4.213 25411 998 1 2 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.252 1.970 25411 999 1 2 . 1 1 103 103 VAL H H 103 8.828 8.828 7.956 0.872 25411 1000 1 2 . 1 1 104 104 ALA N N 104 128.041 128.041 118.158 9.883 25411 1001 1 2 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.231 0.038 25411 1002 1 2 . 1 1 104 104 ALA CA C 104 52.141 52.141 53.849 -1.708 25411 1003 1 2 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.205 0.735 25411 1004 1 2 . 1 1 104 104 ALA H H 104 8.367 8.367 7.429 0.938 25411 1005 1 2 . 1 1 105 105 GLN N N 105 120.265 120.265 115.051 5.214 25411 1006 1 2 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.753 0.178 25411 1007 1 2 . 1 1 105 105 GLN CB C 105 29.020 29.020 31.369 -2.349 25411 1008 1 2 . 1 1 105 105 GLN H H 105 8.356 8.356 7.572 0.784 25411 1009 1 2 . 1 1 106 106 THR HA H 106 4.320 4.320 4.194 0.126 25411 1010 1 2 . 1 1 106 106 THR CA C 106 61.346 61.346 64.747 -3.401 25411 1011 1 2 . 1 1 106 106 THR CB C 106 69.293 69.293 69.414 -0.121 25411 1012 1 2 . 1 1 107 107 GLU N N 107 122.706 122.706 119.098 3.608 25411 1013 1 2 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.480 -0.298 25411 1014 1 2 . 1 1 107 107 GLU CA C 107 56.576 56.576 56.924 -0.348 25411 1015 1 2 . 1 1 107 107 GLU CB C 107 29.936 29.936 32.119 -2.183 25411 1016 1 2 . 1 1 107 107 GLU H H 107 8.404 8.404 7.536 0.868 25411 1017 1 2 . 1 1 108 108 GLU N N 108 122.034 122.034 117.189 4.845 25411 1018 1 2 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.000 0.161 25411 1019 1 2 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.076 -0.427 25411 1020 1 2 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.407 0.269 25411 1021 1 2 . 1 1 108 108 GLU H H 108 7.341 7.341 7.975 -0.634 25411 1022 1 2 . 1 1 109 109 ILE N N 109 122.151 122.151 116.772 5.379 25411 1023 1 2 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.126 -0.079 25411 1024 1 2 . 1 1 109 109 ILE CA C 109 61.565 61.565 63.363 -1.798 25411 1025 1 2 . 1 1 109 109 ILE CB C 109 38.104 38.104 37.993 0.111 25411 1026 1 2 . 1 1 109 109 ILE H H 109 8.058 8.058 8.717 -0.659 25411 1027 1 2 . 1 1 110 110 LEU N N 110 122.427 122.427 120.312 2.115 25411 1028 1 2 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.158 0.118 25411 1029 1 2 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.468 -1.317 25411 1030 1 2 . 1 1 110 110 LEU CB C 110 32.255 32.255 41.135 -8.880 25411 1031 1 2 . 1 1 110 110 LEU H H 110 8.194 8.194 7.867 0.327 25411 1032 1 2 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.081 0.166 25411 1033 1 2 . 1 1 111 111 LYS CA C 111 56.137 56.137 58.028 -1.891 25411 1034 1 2 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.523 0.046 25411 1035 1 2 . 1 1 112 112 SER N N 112 116.453 116.453 112.059 4.394 25411 1036 1 2 . 1 1 112 112 SER HA H 112 4.175 4.175 4.095 0.080 25411 1037 1 2 . 1 1 112 112 SER CA C 112 58.311 58.311 59.525 -1.214 25411 1038 1 2 . 1 1 112 112 SER CB C 112 63.441 63.441 62.739 0.703 25411 1039 1 2 . 1 1 112 112 SER H H 112 8.204 8.204 8.050 0.154 25411 1040 1 2 . 1 1 113 113 ASN N N 113 119.747 119.747 115.178 4.569 25411 1041 1 2 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.780 -0.136 25411 1042 1 2 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.748 0.897 25411 1043 1 2 . 1 1 113 113 ASN CB C 113 38.646 38.646 39.562 -0.916 25411 1044 1 2 . 1 1 113 113 ASN H H 113 7.944 7.944 7.847 0.097 25411 1045 1 2 . 1 1 114 114 SER N N 114 115.433 115.433 113.716 1.717 25411 1046 1 2 . 1 1 114 114 SER HA H 114 4.336 4.336 4.585 -0.249 25411 1047 1 2 . 1 1 114 114 SER CA C 114 58.711 58.711 58.913 -0.202 25411 1048 1 2 . 1 1 114 114 SER CB C 114 63.308 63.308 63.147 0.161 25411 1049 1 2 . 1 1 114 114 SER H H 114 7.962 7.962 8.262 -0.300 25411 1050 1 2 . 1 1 115 115 GLN N N 115 121.682 121.682 120.422 1.260 25411 1051 1 2 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.425 -0.151 25411 1052 1 2 . 1 1 115 115 GLN CA C 115 56.193 56.193 56.008 0.185 25411 1053 1 2 . 1 1 115 115 GLN CB C 115 28.807 28.807 31.166 -2.359 25411 1054 1 2 . 1 1 115 115 GLN H H 115 8.207 8.207 8.519 -0.312 25411 1055 1 2 . 1 1 116 116 THR N N 116 114.715 114.715 107.002 7.713 25411 1056 1 2 . 1 1 116 116 THR HA H 116 4.225 4.225 4.733 -0.508 25411 1057 1 2 . 1 1 116 116 THR CA C 116 62.109 62.109 60.120 1.989 25411 1058 1 2 . 1 1 116 116 THR CB C 116 69.336 69.336 71.915 -2.579 25411 1059 1 2 . 1 1 116 116 THR H H 116 8.062 8.062 7.648 0.414 25411 1060 1 2 . 1 1 117 117 ASP N N 117 122.602 122.602 121.161 1.441 25411 1061 1 2 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.212 0.356 25411 1062 1 2 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.483 -2.280 25411 1063 1 2 . 1 1 117 117 ASP CB C 117 40.665 40.665 39.995 0.670 25411 1064 1 2 . 1 1 117 117 ASP H H 117 8.065 8.065 8.660 -0.595 25411 1065 1 2 . 1 1 118 118 LEU N N 118 122.140 122.140 118.624 3.516 25411 1066 1 2 . 1 1 118 118 LEU HA H 118 4.155 4.155 3.932 0.223 25411 1067 1 2 . 1 1 118 118 LEU CA C 118 55.423 55.423 55.388 0.035 25411 1068 1 2 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.898 -0.025 25411 1069 1 2 . 1 1 118 118 LEU H H 118 8.085 8.085 7.946 0.139 25411 1070 1 2 . 1 1 119 119 GLU N N 119 119.672 119.672 116.569 3.103 25411 1071 1 2 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.599 0.469 25411 1072 1 2 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.895 -1.330 25411 1073 1 2 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.447 2.125 25411 1074 1 2 . 1 1 119 119 GLU H H 119 8.143 8.143 7.908 0.235 25411 1075 1 2 . 1 1 120 120 HIS N N 120 118.301 118.301 118.973 -0.672 25411 1076 1 2 . 1 1 120 120 HIS CA C 120 55.883 55.883 54.925 0.958 25411 1077 1 2 . 1 1 120 120 HIS CB C 120 29.270 29.270 28.639 0.631 25411 1078 1 2 . 1 1 120 120 HIS H H 120 8.107 8.107 7.152 0.955 25411 1079 1 2 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.320 -0.312 25411 1080 1 2 . 1 1 121 121 HIS CA C 121 55.166 55.166 57.236 -2.070 25411 1081 1 2 . 1 1 121 121 HIS CB C 121 28.759 28.759 26.464 2.295 25411 1082 1 2 . 1 1 122 122 HIS N N 122 122.407 122.407 118.229 4.178 25411 1083 1 2 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.773 -0.555 25411 1084 1 2 . 1 1 122 122 HIS CA C 122 56.081 56.081 53.546 2.535 25411 1085 1 2 . 1 1 122 122 HIS CB C 122 29.371 29.371 33.460 -4.089 25411 1086 1 2 . 1 1 122 122 HIS H H 122 8.489 8.489 8.108 0.381 25411 1087 1 2 . 1 1 123 123 HIS N N 123 122.868 122.868 120.141 2.727 25411 1088 1 2 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.402 -0.015 25411 1089 1 2 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.062 0.248 25411 1090 1 2 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.707 -0.205 25411 1091 1 2 . 1 1 123 123 HIS H H 123 8.596 8.596 8.612 -0.016 25411 1092 1 2 . 1 1 124 124 HIS N N 124 123.734 123.734 124.937 -1.203 25411 1093 1 2 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.859 -0.302 25411 1094 1 2 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.740 0.645 25411 1095 1 2 . 1 1 124 124 HIS CB C 124 29.358 29.358 27.813 1.545 25411 1096 1 2 . 1 1 124 124 HIS H H 124 8.255 8.255 8.432 -0.177 25411 1097 1 3 . 1 1 3 3 GLN N N 3 122.360 122.360 120.054 2.306 25411 1098 1 3 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.364 -0.476 25411 1099 1 3 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.489 2.253 25411 1100 1 3 . 1 1 3 3 GLN CB C 3 28.383 28.383 29.100 -0.717 25411 1101 1 3 . 1 1 3 3 GLN H H 3 9.398 9.398 8.382 1.016 25411 1102 1 3 . 1 1 4 4 GLU N N 4 119.689 119.689 120.204 -0.515 25411 1103 1 3 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.147 0.527 25411 1104 1 3 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.829 -0.022 25411 1105 1 3 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.720 -0.020 25411 1106 1 3 . 1 1 4 4 GLU H H 4 7.464 7.464 8.804 -1.340 25411 1107 1 3 . 1 1 5 5 LEU N N 5 114.872 114.872 121.118 -6.246 25411 1108 1 3 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.113 -0.412 25411 1109 1 3 . 1 1 5 5 LEU CA C 5 57.738 57.738 57.951 -0.213 25411 1110 1 3 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.909 -1.094 25411 1111 1 3 . 1 1 5 5 LEU H H 5 8.206 8.206 7.714 0.492 25411 1112 1 3 . 1 1 6 6 SER N N 6 109.762 109.762 113.188 -3.426 25411 1113 1 3 . 1 1 6 6 SER HA H 6 4.092 4.092 4.133 -0.041 25411 1114 1 3 . 1 1 6 6 SER CA C 6 60.415 60.415 61.720 -1.305 25411 1115 1 3 . 1 1 6 6 SER CB C 6 63.391 63.391 62.605 0.786 25411 1116 1 3 . 1 1 6 6 SER H H 6 8.253 8.253 8.366 -0.113 25411 1117 1 3 . 1 1 7 7 GLN N N 7 117.498 117.498 122.624 -5.126 25411 1118 1 3 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.185 -0.230 25411 1119 1 3 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.622 -0.197 25411 1120 1 3 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.438 0.301 25411 1121 1 3 . 1 1 7 7 GLN H H 7 8.673 8.673 7.892 0.781 25411 1122 1 3 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.408 -0.611 25411 1123 1 3 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.161 -0.106 25411 1124 1 3 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.102 -0.993 25411 1125 1 3 . 1 1 9 9 GLU N N 9 120.354 120.354 120.084 0.270 25411 1126 1 3 . 1 1 9 9 GLU HA H 9 3.959 3.959 3.979 -0.020 25411 1127 1 3 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.719 0.539 25411 1128 1 3 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.619 -0.392 25411 1129 1 3 . 1 1 9 9 GLU H H 9 7.690 7.690 8.628 -0.938 25411 1130 1 3 . 1 1 10 10 ARG N N 10 118.753 118.753 119.656 -0.903 25411 1131 1 3 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.022 0.077 25411 1132 1 3 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.449 -1.228 25411 1133 1 3 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.192 -1.097 25411 1134 1 3 . 1 1 10 10 ARG H H 10 8.928 8.928 8.207 0.721 25411 1135 1 3 . 1 1 11 11 TYR N N 11 121.288 121.288 119.153 2.135 25411 1136 1 3 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.275 -0.086 25411 1137 1 3 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.284 -1.048 25411 1138 1 3 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.579 -0.718 25411 1139 1 3 . 1 1 11 11 TYR H H 11 7.562 7.562 8.738 -1.176 25411 1140 1 3 . 1 1 12 12 VAL N N 12 119.304 119.304 119.808 -0.504 25411 1141 1 3 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.736 -0.653 25411 1142 1 3 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.457 0.378 25411 1143 1 3 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.265 -0.166 25411 1144 1 3 . 1 1 12 12 VAL H H 12 8.075 8.075 8.171 -0.096 25411 1145 1 3 . 1 1 13 13 GLU N N 13 119.685 119.685 119.644 0.041 25411 1146 1 3 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.039 0.116 25411 1147 1 3 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.359 0.066 25411 1148 1 3 . 1 1 13 13 GLU CB C 13 29.188 29.188 28.892 0.296 25411 1149 1 3 . 1 1 13 13 GLU H H 13 8.278 8.278 7.825 0.453 25411 1150 1 3 . 1 1 14 14 GLN N N 14 119.682 119.682 120.120 -0.438 25411 1151 1 3 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.045 -0.389 25411 1152 1 3 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.591 1.378 25411 1153 1 3 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.155 1.518 25411 1154 1 3 . 1 1 14 14 GLN H H 14 7.653 7.653 8.203 -0.550 25411 1155 1 3 . 1 1 15 15 LEU N N 15 121.000 121.000 119.362 1.638 25411 1156 1 3 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.098 -0.177 25411 1157 1 3 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.439 1.016 25411 1158 1 3 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.271 -0.511 25411 1159 1 3 . 1 1 15 15 LEU H H 15 8.402 8.402 8.594 -0.192 25411 1160 1 3 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.861 -0.165 25411 1161 1 3 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.375 -0.117 25411 1162 1 3 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.272 -0.137 25411 1163 1 3 . 1 1 17 17 GLN N N 17 117.558 117.558 118.457 -0.899 25411 1164 1 3 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.065 -0.178 25411 1165 1 3 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.691 -0.249 25411 1166 1 3 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.696 -0.651 25411 1167 1 3 . 1 1 17 17 GLN H H 17 7.849 7.849 7.946 -0.097 25411 1168 1 3 . 1 1 18 18 ALA N N 18 120.288 120.288 122.977 -2.689 25411 1169 1 3 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.175 -0.387 25411 1170 1 3 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.809 0.084 25411 1171 1 3 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.623 -1.227 25411 1172 1 3 . 1 1 18 18 ALA H H 18 8.504 8.504 8.271 0.233 25411 1173 1 3 . 1 1 19 19 LEU N N 19 116.974 116.974 118.184 -1.210 25411 1174 1 3 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.046 -0.287 25411 1175 1 3 . 1 1 19 19 LEU CA C 19 57.552 57.552 57.012 0.540 25411 1176 1 3 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.816 -1.123 25411 1177 1 3 . 1 1 19 19 LEU H H 19 8.143 8.143 8.321 -0.178 25411 1178 1 3 . 1 1 20 20 LYS N N 20 117.776 117.776 121.099 -3.323 25411 1179 1 3 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.063 -0.108 25411 1180 1 3 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.903 -0.359 25411 1181 1 3 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.536 -2.050 25411 1182 1 3 . 1 1 20 20 LYS H H 20 8.340 8.340 8.110 0.230 25411 1183 1 3 . 1 1 21 21 THR N N 21 116.373 116.373 111.242 5.131 25411 1184 1 3 . 1 1 21 21 THR HA H 21 4.107 4.107 4.186 -0.079 25411 1185 1 3 . 1 1 21 21 THR CA C 21 64.611 64.611 64.358 0.253 25411 1186 1 3 . 1 1 21 21 THR CB C 21 68.811 68.811 68.507 0.304 25411 1187 1 3 . 1 1 21 21 THR H H 21 7.302 7.302 7.904 -0.602 25411 1188 1 3 . 1 1 22 22 ARG N N 22 118.647 118.647 119.582 -0.935 25411 1189 1 3 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.450 -0.088 25411 1190 1 3 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.882 -1.817 25411 1191 1 3 . 1 1 22 22 ARG CB C 22 29.528 29.528 30.994 -1.466 25411 1192 1 3 . 1 1 22 22 ARG H H 22 7.290 7.290 7.723 -0.433 25411 1193 1 3 . 1 1 23 23 GLY N N 23 108.637 108.637 107.768 0.869 25411 1194 1 3 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.500 0.612 25411 1195 1 3 . 1 1 23 23 GLY H H 23 7.881 7.881 7.749 0.132 25411 1196 1 3 . 1 1 24 24 VAL N N 24 117.390 117.390 123.285 -5.895 25411 1197 1 3 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.794 0.220 25411 1198 1 3 . 1 1 24 24 VAL CA C 24 61.668 61.668 62.751 -1.083 25411 1199 1 3 . 1 1 24 24 VAL CB C 24 32.372 32.372 29.195 3.177 25411 1200 1 3 . 1 1 24 24 VAL H H 24 7.333 7.333 7.551 -0.218 25411 1201 1 3 . 1 1 25 25 LYS N N 25 127.322 127.322 120.178 7.144 25411 1202 1 3 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.875 0.457 25411 1203 1 3 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.641 -1.879 25411 1204 1 3 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.544 0.217 25411 1205 1 3 . 1 1 25 25 LYS H H 25 8.722 8.722 8.324 0.398 25411 1206 1 3 . 1 1 26 26 VAL N N 26 120.568 120.568 119.586 0.982 25411 1207 1 3 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.267 -0.189 25411 1208 1 3 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.340 -0.675 25411 1209 1 3 . 1 1 26 26 VAL CB C 26 33.647 33.647 34.120 -0.473 25411 1210 1 3 . 1 1 26 26 VAL H H 26 7.119 7.119 8.240 -1.121 25411 1211 1 3 . 1 1 27 27 LYS N N 27 125.675 125.675 123.807 1.868 25411 1212 1 3 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.371 -0.045 25411 1213 1 3 . 1 1 27 27 LYS CA C 27 55.411 55.411 54.953 0.458 25411 1214 1 3 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.633 -2.675 25411 1215 1 3 . 1 1 27 27 LYS H H 27 8.570 8.570 7.989 0.581 25411 1216 1 3 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.600 -0.583 25411 1217 1 3 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.392 -1.980 25411 1218 1 3 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.844 1.996 25411 1219 1 3 . 1 1 29 29 ALA N N 29 120.743 120.743 128.682 -7.939 25411 1220 1 3 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.226 -0.558 25411 1221 1 3 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.121 -0.443 25411 1222 1 3 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.280 -1.280 25411 1223 1 3 . 1 1 29 29 ALA H H 29 8.323 8.323 8.834 -0.511 25411 1224 1 3 . 1 1 30 30 ASP N N 30 117.202 117.202 118.331 -1.129 25411 1225 1 3 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.339 -0.058 25411 1226 1 3 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.230 0.323 25411 1227 1 3 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.892 -0.086 25411 1228 1 3 . 1 1 30 30 ASP H H 30 6.872 6.872 8.708 -1.836 25411 1229 1 3 . 1 1 31 31 LEU N N 31 122.273 122.273 118.954 3.319 25411 1230 1 3 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.298 -0.752 25411 1231 1 3 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.712 0.013 25411 1232 1 3 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.252 -1.593 25411 1233 1 3 . 1 1 31 31 LEU H H 31 7.433 7.433 7.661 -0.228 25411 1234 1 3 . 1 1 32 32 LEU N N 32 123.376 123.376 119.162 4.214 25411 1235 1 3 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.145 -0.530 25411 1236 1 3 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.449 -0.353 25411 1237 1 3 . 1 1 32 32 LEU CB C 32 40.542 40.542 42.115 -1.573 25411 1238 1 3 . 1 1 32 32 LEU H H 32 8.727 8.727 7.757 0.970 25411 1239 1 3 . 1 1 33 33 LYS N N 33 118.078 118.078 120.540 -2.462 25411 1240 1 3 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.294 -0.081 25411 1241 1 3 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.324 -0.226 25411 1242 1 3 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.055 -0.165 25411 1243 1 3 . 1 1 33 33 LYS H H 33 7.149 7.149 7.473 -0.324 25411 1244 1 3 . 1 1 34 34 PHE N N 34 117.398 117.398 121.419 -4.021 25411 1245 1 3 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.981 -5.286 25411 1246 1 3 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.112 2.107 25411 1247 1 3 . 1 1 34 34 PHE H H 34 7.633 7.633 8.353 -0.720 25411 1248 1 3 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.036 -0.243 25411 1249 1 3 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.978 -0.386 25411 1250 1 3 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.236 -2.222 25411 1251 1 3 . 1 1 36 36 ASP N N 36 120.136 120.136 119.927 0.209 25411 1252 1 3 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.417 -0.321 25411 1253 1 3 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.664 -0.723 25411 1254 1 3 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.540 -1.436 25411 1255 1 3 . 1 1 36 36 ASP H H 36 8.330 8.330 8.719 -0.389 25411 1256 1 3 . 1 1 37 37 PHE N N 37 121.883 121.883 120.969 0.914 25411 1257 1 3 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.388 -0.130 25411 1258 1 3 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.296 -1.598 25411 1259 1 3 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.346 0.839 25411 1260 1 3 . 1 1 37 37 PHE H H 37 7.794 7.794 8.380 -0.586 25411 1261 1 3 . 1 1 38 38 VAL N N 38 118.525 118.525 119.078 -0.553 25411 1262 1 3 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.263 -0.224 25411 1263 1 3 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.019 0.863 25411 1264 1 3 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.259 -0.571 25411 1265 1 3 . 1 1 38 38 VAL H H 38 8.262 8.262 8.083 0.179 25411 1266 1 3 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.854 -0.398 25411 1267 1 3 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.032 0.022 25411 1268 1 3 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.946 -0.250 25411 1269 1 3 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.522 -0.077 25411 1270 1 3 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.263 0.722 25411 1271 1 3 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.660 -0.968 25411 1272 1 3 . 1 1 41 41 ILE N N 41 120.641 120.641 119.955 0.686 25411 1273 1 3 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.950 0.075 25411 1274 1 3 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.817 -3.165 25411 1275 1 3 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.549 -0.485 25411 1276 1 3 . 1 1 41 41 ILE H H 41 8.788 8.788 8.108 0.680 25411 1277 1 3 . 1 1 42 42 CYS N N 42 117.896 117.896 116.179 1.717 25411 1278 1 3 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.437 0.735 25411 1279 1 3 . 1 1 42 42 CYS CB C 42 28.324 28.324 29.250 -0.926 25411 1280 1 3 . 1 1 42 42 CYS H H 42 7.180 7.180 7.438 -0.258 25411 1281 1 3 . 1 1 43 43 PRO HA H 43 4.315 4.315 3.924 0.391 25411 1282 1 3 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.403 0.601 25411 1283 1 3 . 1 1 43 43 PRO CB C 43 30.715 30.715 30.880 -0.165 25411 1284 1 3 . 1 1 44 44 TRP N N 44 113.823 113.823 115.189 -1.366 25411 1285 1 3 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.326 -0.021 25411 1286 1 3 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.289 -1.891 25411 1287 1 3 . 1 1 44 44 TRP CB C 44 27.811 27.811 28.642 -0.831 25411 1288 1 3 . 1 1 44 44 TRP H H 44 6.591 6.591 6.413 0.178 25411 1289 1 3 . 1 1 45 45 PHE N N 45 123.100 123.100 116.757 6.343 25411 1290 1 3 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.053 -1.052 25411 1291 1 3 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.414 8.395 25411 1292 1 3 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.327 -3.392 25411 1293 1 3 . 1 1 45 45 PHE H H 45 7.239 7.239 7.482 -0.243 25411 1294 1 3 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.128 -0.116 25411 1295 1 3 . 1 1 46 46 PRO CA C 46 64.531 64.531 65.026 -0.495 25411 1296 1 3 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.653 -1.166 25411 1297 1 3 . 1 1 47 47 GLN N N 47 114.502 114.502 117.505 -3.003 25411 1298 1 3 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.068 -0.131 25411 1299 1 3 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.339 0.065 25411 1300 1 3 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.164 1.156 25411 1301 1 3 . 1 1 47 47 GLN H H 47 6.518 6.518 8.682 -2.164 25411 1302 1 3 . 1 1 48 48 GLU N N 48 117.358 117.358 118.448 -1.090 25411 1303 1 3 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.179 -0.141 25411 1304 1 3 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.534 1.638 25411 1305 1 3 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.111 -1.157 25411 1306 1 3 . 1 1 48 48 GLU H H 48 7.318 7.318 7.823 -0.505 25411 1307 1 3 . 1 1 49 49 GLY N N 49 105.534 105.534 108.747 -3.213 25411 1308 1 3 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.759 1.544 25411 1309 1 3 . 1 1 49 49 GLY H H 49 7.296 7.296 7.691 -0.395 25411 1310 1 3 . 1 1 50 50 THR N N 50 114.069 114.069 112.855 1.214 25411 1311 1 3 . 1 1 50 50 THR HA H 50 4.234 4.234 4.292 -0.058 25411 1312 1 3 . 1 1 50 50 THR CA C 50 61.683 61.683 61.116 0.567 25411 1313 1 3 . 1 1 50 50 THR CB C 50 70.718 70.718 70.325 0.393 25411 1314 1 3 . 1 1 50 50 THR H H 50 7.597 7.597 7.768 -0.171 25411 1315 1 3 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.238 -0.113 25411 1316 1 3 . 1 1 51 51 ILE CA C 51 59.870 59.870 60.103 -0.233 25411 1317 1 3 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.586 -4.298 25411 1318 1 3 . 1 1 52 52 ASP N N 52 121.791 121.791 126.482 -4.691 25411 1319 1 3 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.916 -0.293 25411 1320 1 3 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.970 -1.238 25411 1321 1 3 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.310 -1.849 25411 1322 1 3 . 1 1 52 52 ASP H H 52 7.168 7.168 8.247 -1.079 25411 1323 1 3 . 1 1 53 53 ILE N N 53 119.537 119.537 119.396 0.141 25411 1324 1 3 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.542 -0.407 25411 1325 1 3 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.274 -0.478 25411 1326 1 3 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.302 -1.487 25411 1327 1 3 . 1 1 53 53 ILE H H 53 8.336 8.336 8.611 -0.275 25411 1328 1 3 . 1 1 54 54 LYS N N 54 123.592 123.592 121.202 2.390 25411 1329 1 3 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.242 -0.137 25411 1330 1 3 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.149 -0.177 25411 1331 1 3 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.288 -0.540 25411 1332 1 3 . 1 1 54 54 LYS H H 54 8.104 8.104 8.657 -0.553 25411 1333 1 3 . 1 1 55 55 ARG N N 55 120.511 120.511 119.190 1.321 25411 1334 1 3 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.169 0.132 25411 1335 1 3 . 1 1 55 55 ARG CA C 55 59.903 59.903 58.717 1.187 25411 1336 1 3 . 1 1 55 55 ARG CB C 55 30.056 30.056 29.553 0.503 25411 1337 1 3 . 1 1 55 55 ARG H H 55 9.196 9.196 8.478 0.718 25411 1338 1 3 . 1 1 56 56 TRP N N 56 120.681 120.681 122.807 -2.126 25411 1339 1 3 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.558 0.145 25411 1340 1 3 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.232 -0.826 25411 1341 1 3 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.014 1.000 25411 1342 1 3 . 1 1 56 56 TRP H H 56 8.899 8.899 8.101 0.798 25411 1343 1 3 . 1 1 57 57 ARG N N 57 122.115 122.115 119.176 2.939 25411 1344 1 3 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.728 0.679 25411 1345 1 3 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.591 0.436 25411 1346 1 3 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.962 -0.176 25411 1347 1 3 . 1 1 57 57 ARG H H 57 9.210 9.210 8.234 0.976 25411 1348 1 3 . 1 1 58 58 ARG N N 58 120.918 120.918 119.458 1.460 25411 1349 1 3 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.472 0.373 25411 1350 1 3 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.084 -0.355 25411 1351 1 3 . 1 1 58 58 ARG H H 58 7.640 7.640 7.664 -0.024 25411 1352 1 3 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.679 0.085 25411 1353 1 3 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.284 0.716 25411 1354 1 3 . 1 1 59 59 VAL CB C 59 30.832 30.832 30.998 -0.166 25411 1355 1 3 . 1 1 59 59 VAL H H 59 7.916 7.916 7.675 0.241 25411 1356 1 3 . 1 1 60 60 GLY N N 60 106.856 106.856 107.857 -1.001 25411 1357 1 3 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.309 -1.228 25411 1358 1 3 . 1 1 60 60 GLY H H 60 7.623 7.623 8.352 -0.729 25411 1359 1 3 . 1 1 61 61 ASP N N 61 123.308 123.308 122.169 1.139 25411 1360 1 3 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.476 -0.251 25411 1361 1 3 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.871 -0.071 25411 1362 1 3 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.645 -1.161 25411 1363 1 3 . 1 1 61 61 ASP H H 61 8.203 8.203 8.143 0.060 25411 1364 1 3 . 1 1 62 62 CYS N N 62 120.841 120.841 118.629 2.212 25411 1365 1 3 . 1 1 62 62 CYS HA H 62 4.238 4.238 3.979 0.259 25411 1366 1 3 . 1 1 62 62 CYS CA C 62 62.950 62.950 63.877 -0.927 25411 1367 1 3 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.683 -0.180 25411 1368 1 3 . 1 1 62 62 CYS H H 62 7.795 7.795 7.427 0.368 25411 1369 1 3 . 1 1 63 63 PHE N N 63 119.763 119.763 118.695 1.068 25411 1370 1 3 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.246 0.032 25411 1371 1 3 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.162 -2.505 25411 1372 1 3 . 1 1 63 63 PHE CB C 63 36.990 36.990 38.083 -1.093 25411 1373 1 3 . 1 1 63 63 PHE H H 63 8.647 8.647 7.491 1.156 25411 1374 1 3 . 1 1 64 64 GLN N N 64 118.578 118.578 119.598 -1.020 25411 1375 1 3 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.146 0.162 25411 1376 1 3 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.590 0.743 25411 1377 1 3 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.175 0.404 25411 1378 1 3 . 1 1 64 64 GLN H H 64 8.261 8.261 8.422 -0.161 25411 1379 1 3 . 1 1 65 65 ASP N N 65 119.534 119.534 121.537 -2.003 25411 1380 1 3 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.404 0.080 25411 1381 1 3 . 1 1 65 65 ASP CA C 65 57.329 57.329 56.737 0.592 25411 1382 1 3 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.779 -1.108 25411 1383 1 3 . 1 1 65 65 ASP H H 65 8.338 8.338 8.427 -0.089 25411 1384 1 3 . 1 1 66 66 TYR N N 66 123.600 123.600 122.213 1.387 25411 1385 1 3 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.913 0.589 25411 1386 1 3 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.145 -0.914 25411 1387 1 3 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.484 -0.051 25411 1388 1 3 . 1 1 66 66 TYR H H 66 7.804 7.804 8.434 -0.630 25411 1389 1 3 . 1 1 67 67 TYR N N 67 122.825 122.825 118.018 4.807 25411 1390 1 3 . 1 1 67 67 TYR HA H 67 3.997 3.997 4.222 -0.225 25411 1391 1 3 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.306 0.597 25411 1392 1 3 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.573 0.373 25411 1393 1 3 . 1 1 67 67 TYR H H 67 9.100 9.100 8.036 1.064 25411 1394 1 3 . 1 1 68 68 ASN N N 68 118.826 118.826 117.222 1.604 25411 1395 1 3 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.264 0.019 25411 1396 1 3 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.995 -0.563 25411 1397 1 3 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.266 -0.390 25411 1398 1 3 . 1 1 68 68 ASN H H 68 8.853 8.853 8.544 0.309 25411 1399 1 3 . 1 1 69 69 THR N N 69 114.242 114.242 115.074 -0.832 25411 1400 1 3 . 1 1 69 69 THR HA H 69 3.837 3.837 4.022 -0.185 25411 1401 1 3 . 1 1 69 69 THR CA C 69 65.328 65.328 65.107 0.221 25411 1402 1 3 . 1 1 69 69 THR CB C 69 69.249 69.249 68.390 0.859 25411 1403 1 3 . 1 1 69 69 THR H H 69 7.847 7.847 7.985 -0.138 25411 1404 1 3 . 1 1 70 70 PHE N N 70 117.970 117.970 118.730 -0.760 25411 1405 1 3 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.367 0.197 25411 1406 1 3 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.913 0.329 25411 1407 1 3 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.367 2.707 25411 1408 1 3 . 1 1 70 70 PHE H H 70 8.489 8.489 7.204 1.285 25411 1409 1 3 . 1 1 71 71 GLY N N 71 109.516 109.516 108.189 1.327 25411 1410 1 3 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.805 0.227 25411 1411 1 3 . 1 1 71 71 GLY H H 71 7.968 7.968 7.486 0.482 25411 1412 1 3 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.392 0.319 25411 1413 1 3 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.212 1.085 25411 1414 1 3 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.293 0.451 25411 1415 1 3 . 1 1 73 73 GLU N N 73 117.720 117.720 126.777 -9.057 25411 1416 1 3 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.044 -0.145 25411 1417 1 3 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.675 0.061 25411 1418 1 3 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.572 -0.709 25411 1419 1 3 . 1 1 73 73 GLU H H 73 8.586 8.586 8.461 0.125 25411 1420 1 3 . 1 1 74 74 LYS N N 74 116.974 116.974 119.024 -2.050 25411 1421 1 3 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.413 -0.024 25411 1422 1 3 . 1 1 74 74 LYS CA C 74 55.185 55.185 54.612 0.573 25411 1423 1 3 . 1 1 74 74 LYS CB C 74 34.087 34.087 31.109 2.978 25411 1424 1 3 . 1 1 74 74 LYS H H 74 7.505 7.505 8.129 -0.624 25411 1425 1 3 . 1 1 75 75 VAL N N 75 117.309 117.309 124.138 -6.829 25411 1426 1 3 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.218 0.095 25411 1427 1 3 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.851 1.194 25411 1428 1 3 . 1 1 75 75 VAL CB C 75 31.984 31.984 31.887 0.097 25411 1429 1 3 . 1 1 75 75 VAL H H 75 7.402 7.402 7.422 -0.020 25411 1430 1 3 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.545 0.017 25411 1431 1 3 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.927 -1.240 25411 1432 1 3 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.593 -0.862 25411 1433 1 3 . 1 1 77 77 VAL N N 77 120.870 120.870 121.892 -1.022 25411 1434 1 3 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.211 -0.383 25411 1435 1 3 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.258 1.580 25411 1436 1 3 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.789 -0.402 25411 1437 1 3 . 1 1 77 77 VAL H H 77 8.473 8.473 8.853 -0.380 25411 1438 1 3 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.864 -0.012 25411 1439 1 3 . 1 1 78 78 ILE CA C 78 61.125 61.125 63.942 -2.817 25411 1440 1 3 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.963 0.172 25411 1441 1 3 . 1 1 78 78 ILE H H 78 8.388 8.388 7.965 0.423 25411 1442 1 3 . 1 1 79 79 ALA N N 79 123.960 123.960 122.445 1.515 25411 1443 1 3 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.137 -0.247 25411 1444 1 3 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.488 0.401 25411 1445 1 3 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.652 -1.029 25411 1446 1 3 . 1 1 79 79 ALA H H 79 7.953 7.953 8.021 -0.068 25411 1447 1 3 . 1 1 80 80 PHE N N 80 114.330 114.330 116.025 -1.695 25411 1448 1 3 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.579 -0.148 25411 1449 1 3 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.902 1.410 25411 1450 1 3 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.127 -1.471 25411 1451 1 3 . 1 1 80 80 PHE H H 80 7.499 7.499 8.403 -0.904 25411 1452 1 3 . 1 1 81 81 SER N N 81 115.971 115.971 114.970 1.001 25411 1453 1 3 . 1 1 81 81 SER HA H 81 4.206 4.206 4.525 -0.319 25411 1454 1 3 . 1 1 81 81 SER CA C 81 58.432 58.432 59.709 -1.277 25411 1455 1 3 . 1 1 81 81 SER CB C 81 63.575 63.575 63.375 0.200 25411 1456 1 3 . 1 1 81 81 SER H H 81 8.225 8.225 7.471 0.754 25411 1457 1 3 . 1 1 82 82 TYR N N 82 121.997 121.997 123.401 -1.404 25411 1458 1 3 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.371 0.076 25411 1459 1 3 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.408 -4.523 25411 1460 1 3 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.982 -1.144 25411 1461 1 3 . 1 1 82 82 TYR H H 82 8.378 8.378 7.590 0.788 25411 1462 1 3 . 1 1 83 83 TRP N N 83 120.268 120.268 121.485 -1.217 25411 1463 1 3 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.243 -4.850 25411 1464 1 3 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.928 -1.034 25411 1465 1 3 . 1 1 83 83 TRP H H 83 8.546 8.546 9.315 -0.769 25411 1466 1 3 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.252 -0.032 25411 1467 1 3 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.374 0.255 25411 1468 1 3 . 1 1 84 84 ASN CB C 84 39.065 39.065 38.016 1.049 25411 1469 1 3 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.038 0.008 25411 1470 1 3 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.119 1.023 25411 1471 1 3 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.809 -0.117 25411 1472 1 3 . 1 1 86 86 ILE N N 86 117.000 117.000 120.221 -3.221 25411 1473 1 3 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.449 -0.003 25411 1474 1 3 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.473 -2.190 25411 1475 1 3 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.942 -1.530 25411 1476 1 3 . 1 1 86 86 ILE H H 86 7.882 7.882 7.628 0.254 25411 1477 1 3 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.686 -0.460 25411 1478 1 3 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.052 0.944 25411 1479 1 3 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.578 -0.528 25411 1480 1 3 . 1 1 88 88 GLU N N 88 116.404 116.404 117.203 -0.799 25411 1481 1 3 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.163 -0.316 25411 1482 1 3 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.079 0.832 25411 1483 1 3 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.762 -0.793 25411 1484 1 3 . 1 1 88 88 GLU H H 88 7.689 7.689 7.450 0.239 25411 1485 1 3 . 1 1 89 89 LEU N N 89 118.193 118.193 122.202 -4.009 25411 1486 1 3 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.068 -0.179 25411 1487 1 3 . 1 1 89 89 LEU CA C 89 57.963 57.963 57.210 0.753 25411 1488 1 3 . 1 1 89 89 LEU CB C 89 41.300 41.300 41.895 -0.595 25411 1489 1 3 . 1 1 89 89 LEU H H 89 7.415 7.415 7.844 -0.429 25411 1490 1 3 . 1 1 90 90 ILE N N 90 115.471 115.471 120.789 -5.318 25411 1491 1 3 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.552 -0.134 25411 1492 1 3 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.231 0.677 25411 1493 1 3 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.571 0.023 25411 1494 1 3 . 1 1 90 90 ILE H H 90 7.718 7.718 7.632 0.086 25411 1495 1 3 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.343 -0.623 25411 1496 1 3 . 1 1 91 91 ASP CA C 91 57.664 57.664 57.157 0.507 25411 1497 1 3 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.695 -0.163 25411 1498 1 3 . 1 1 92 92 LYS N N 92 119.253 119.253 118.410 0.843 25411 1499 1 3 . 1 1 92 92 LYS CA C 92 58.897 58.897 55.736 3.161 25411 1500 1 3 . 1 1 92 92 LYS CB C 92 31.988 31.988 31.708 0.280 25411 1501 1 3 . 1 1 92 92 LYS H H 92 7.869 7.869 7.923 -0.054 25411 1502 1 3 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.974 0.557 25411 1503 1 3 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.653 -3.394 25411 1504 1 3 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.071 0.098 25411 1505 1 3 . 1 1 94 94 GLU N N 94 116.729 116.729 120.823 -4.094 25411 1506 1 3 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.087 0.046 25411 1507 1 3 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.201 0.118 25411 1508 1 3 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.315 -1.940 25411 1509 1 3 . 1 1 94 94 GLU H H 94 8.393 8.393 7.658 0.735 25411 1510 1 3 . 1 1 95 95 VAL N N 95 121.696 121.696 117.148 4.548 25411 1511 1 3 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.901 0.581 25411 1512 1 3 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.501 3.220 25411 1513 1 3 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.528 1.366 25411 1514 1 3 . 1 1 95 95 VAL H H 95 7.923 7.923 7.735 0.188 25411 1515 1 3 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.765 -0.407 25411 1516 1 3 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.429 0.178 25411 1517 1 3 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.653 -0.779 25411 1518 1 3 . 1 1 98 98 GLN N N 98 117.731 117.731 119.514 -1.783 25411 1519 1 3 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.040 -0.115 25411 1520 1 3 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.403 0.205 25411 1521 1 3 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.852 0.669 25411 1522 1 3 . 1 1 98 98 GLN H H 98 8.359 8.359 8.771 -0.412 25411 1523 1 3 . 1 1 99 99 VAL N N 99 121.326 121.326 118.121 3.205 25411 1524 1 3 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.772 -0.352 25411 1525 1 3 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.476 0.928 25411 1526 1 3 . 1 1 99 99 VAL CB C 99 31.619 31.619 30.831 0.787 25411 1527 1 3 . 1 1 99 99 VAL H H 99 7.901 7.901 7.999 -0.098 25411 1528 1 3 . 1 1 100 100 MET N N 100 120.447 120.447 117.775 2.672 25411 1529 1 3 . 1 1 100 100 MET HA H 100 3.812 3.812 4.340 -0.528 25411 1530 1 3 . 1 1 100 100 MET CA C 100 59.297 59.297 58.055 1.242 25411 1531 1 3 . 1 1 100 100 MET CB C 100 32.099 32.099 33.317 -1.218 25411 1532 1 3 . 1 1 100 100 MET H H 100 7.509 7.509 7.852 -0.343 25411 1533 1 3 . 1 1 101 101 ALA N N 101 119.458 119.458 121.126 -1.668 25411 1534 1 3 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.215 -0.005 25411 1535 1 3 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.342 0.410 25411 1536 1 3 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.422 -0.901 25411 1537 1 3 . 1 1 101 101 ALA H H 101 7.889 7.889 7.687 0.202 25411 1538 1 3 . 1 1 102 102 ALA N N 102 119.627 119.627 121.000 -1.373 25411 1539 1 3 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.104 -0.111 25411 1540 1 3 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.684 0.204 25411 1541 1 3 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.489 -1.145 25411 1542 1 3 . 1 1 102 102 ALA H H 102 7.563 7.563 8.238 -0.675 25411 1543 1 3 . 1 1 103 103 VAL N N 103 122.690 122.690 118.439 4.251 25411 1544 1 3 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.887 0.186 25411 1545 1 3 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.881 -4.196 25411 1546 1 3 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.163 2.059 25411 1547 1 3 . 1 1 103 103 VAL H H 103 8.828 8.828 7.889 0.939 25411 1548 1 3 . 1 1 104 104 ALA N N 104 128.041 128.041 119.071 8.970 25411 1549 1 3 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.167 0.102 25411 1550 1 3 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.485 -2.344 25411 1551 1 3 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.384 0.556 25411 1552 1 3 . 1 1 104 104 ALA H H 104 8.367 8.367 7.461 0.906 25411 1553 1 3 . 1 1 105 105 GLN N N 105 120.265 120.265 115.384 4.881 25411 1554 1 3 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.308 -0.377 25411 1555 1 3 . 1 1 105 105 GLN CB C 105 29.020 29.020 29.898 -0.878 25411 1556 1 3 . 1 1 105 105 GLN H H 105 8.356 8.356 8.014 0.342 25411 1557 1 3 . 1 1 106 106 THR HA H 106 4.320 4.320 4.382 -0.062 25411 1558 1 3 . 1 1 106 106 THR CA C 106 61.346 61.346 63.586 -2.240 25411 1559 1 3 . 1 1 106 106 THR CB C 106 69.293 69.293 69.347 -0.054 25411 1560 1 3 . 1 1 107 107 GLU N N 107 122.706 122.706 120.159 2.547 25411 1561 1 3 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.259 -0.077 25411 1562 1 3 . 1 1 107 107 GLU CA C 107 56.576 56.576 57.408 -0.832 25411 1563 1 3 . 1 1 107 107 GLU CB C 107 29.936 29.936 30.743 -0.807 25411 1564 1 3 . 1 1 107 107 GLU H H 107 8.404 8.404 7.709 0.695 25411 1565 1 3 . 1 1 108 108 GLU N N 108 122.034 122.034 115.754 6.280 25411 1566 1 3 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.118 0.043 25411 1567 1 3 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.223 -0.574 25411 1568 1 3 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.707 -0.031 25411 1569 1 3 . 1 1 108 108 GLU H H 108 7.341 7.341 8.153 -0.812 25411 1570 1 3 . 1 1 109 109 ILE N N 109 122.151 122.151 115.258 6.893 25411 1571 1 3 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.266 -0.219 25411 1572 1 3 . 1 1 109 109 ILE CA C 109 61.565 61.565 63.169 -1.604 25411 1573 1 3 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.684 -0.580 25411 1574 1 3 . 1 1 109 109 ILE H H 109 8.058 8.058 8.658 -0.600 25411 1575 1 3 . 1 1 110 110 LEU N N 110 122.427 122.427 122.160 0.267 25411 1576 1 3 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.077 0.199 25411 1577 1 3 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.460 -1.309 25411 1578 1 3 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.809 -8.554 25411 1579 1 3 . 1 1 110 110 LEU H H 110 8.194 8.194 7.914 0.280 25411 1580 1 3 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.134 0.113 25411 1581 1 3 . 1 1 111 111 LYS CA C 111 56.137 56.137 58.494 -2.357 25411 1582 1 3 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.120 0.449 25411 1583 1 3 . 1 1 112 112 SER N N 112 116.453 116.453 113.102 3.351 25411 1584 1 3 . 1 1 112 112 SER HA H 112 4.175 4.175 4.167 0.008 25411 1585 1 3 . 1 1 112 112 SER CA C 112 58.311 58.311 59.469 -1.158 25411 1586 1 3 . 1 1 112 112 SER CB C 112 63.441 63.441 61.647 1.794 25411 1587 1 3 . 1 1 112 112 SER H H 112 8.204 8.204 8.064 0.140 25411 1588 1 3 . 1 1 113 113 ASN N N 113 119.747 119.747 115.128 4.619 25411 1589 1 3 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.373 0.271 25411 1590 1 3 . 1 1 113 113 ASN CA C 113 53.645 53.645 54.528 -0.883 25411 1591 1 3 . 1 1 113 113 ASN CB C 113 38.646 38.646 37.979 0.667 25411 1592 1 3 . 1 1 113 113 ASN H H 113 7.944 7.944 8.550 -0.606 25411 1593 1 3 . 1 1 114 114 SER N N 114 115.433 115.433 113.766 1.667 25411 1594 1 3 . 1 1 114 114 SER HA H 114 4.336 4.336 4.471 -0.135 25411 1595 1 3 . 1 1 114 114 SER CA C 114 58.711 58.711 57.629 1.082 25411 1596 1 3 . 1 1 114 114 SER CB C 114 63.308 63.308 62.916 0.392 25411 1597 1 3 . 1 1 114 114 SER H H 114 7.962 7.962 8.032 -0.070 25411 1598 1 3 . 1 1 115 115 GLN N N 115 121.682 121.682 116.563 5.119 25411 1599 1 3 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.030 0.244 25411 1600 1 3 . 1 1 115 115 GLN CA C 115 56.193 56.193 58.613 -2.420 25411 1601 1 3 . 1 1 115 115 GLN CB C 115 28.807 28.807 28.124 0.683 25411 1602 1 3 . 1 1 115 115 GLN H H 115 8.207 8.207 8.861 -0.654 25411 1603 1 3 . 1 1 116 116 THR N N 116 114.715 114.715 107.227 7.488 25411 1604 1 3 . 1 1 116 116 THR HA H 116 4.225 4.225 4.619 -0.394 25411 1605 1 3 . 1 1 116 116 THR CA C 116 62.109 62.109 59.734 2.375 25411 1606 1 3 . 1 1 116 116 THR CB C 116 69.336 69.336 71.590 -2.254 25411 1607 1 3 . 1 1 116 116 THR H H 116 8.062 8.062 7.645 0.417 25411 1608 1 3 . 1 1 117 117 ASP N N 117 122.602 122.602 121.674 0.928 25411 1609 1 3 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.311 0.257 25411 1610 1 3 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.534 -2.330 25411 1611 1 3 . 1 1 117 117 ASP CB C 117 40.665 40.665 39.758 0.907 25411 1612 1 3 . 1 1 117 117 ASP H H 117 8.065 8.065 8.966 -0.901 25411 1613 1 3 . 1 1 118 118 LEU N N 118 122.140 122.140 119.715 2.425 25411 1614 1 3 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.247 -0.092 25411 1615 1 3 . 1 1 118 118 LEU CA C 118 55.423 55.423 54.987 0.436 25411 1616 1 3 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.502 0.371 25411 1617 1 3 . 1 1 118 118 LEU H H 118 8.085 8.085 7.949 0.136 25411 1618 1 3 . 1 1 119 119 GLU N N 119 119.672 119.672 114.209 5.463 25411 1619 1 3 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.173 -0.105 25411 1620 1 3 . 1 1 119 119 GLU CA C 119 56.565 56.565 58.876 -2.311 25411 1621 1 3 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.942 1.630 25411 1622 1 3 . 1 1 119 119 GLU H H 119 8.143 8.143 8.652 -0.509 25411 1623 1 3 . 1 1 120 120 HIS N N 120 118.301 118.301 113.584 4.717 25411 1624 1 3 . 1 1 120 120 HIS CA C 120 55.883 55.883 58.730 -2.847 25411 1625 1 3 . 1 1 120 120 HIS CB C 120 29.270 29.270 28.015 1.254 25411 1626 1 3 . 1 1 120 120 HIS H H 120 8.107 8.107 8.121 -0.014 25411 1627 1 3 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.559 -0.550 25411 1628 1 3 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.115 0.051 25411 1629 1 3 . 1 1 121 121 HIS CB C 121 28.759 28.759 31.073 -2.314 25411 1630 1 3 . 1 1 122 122 HIS N N 122 122.407 122.407 115.590 6.817 25411 1631 1 3 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.845 -0.627 25411 1632 1 3 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.013 2.068 25411 1633 1 3 . 1 1 122 122 HIS CB C 122 29.371 29.371 32.310 -2.939 25411 1634 1 3 . 1 1 122 122 HIS H H 122 8.489 8.489 7.297 1.192 25411 1635 1 3 . 1 1 123 123 HIS N N 123 122.868 122.868 118.983 3.885 25411 1636 1 3 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.240 0.147 25411 1637 1 3 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.511 -1.201 25411 1638 1 3 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.027 0.475 25411 1639 1 3 . 1 1 123 123 HIS H H 123 8.596 8.596 8.488 0.108 25411 1640 1 3 . 1 1 124 124 HIS N N 124 123.734 123.734 120.036 3.698 25411 1641 1 3 . 1 1 124 124 HIS HA H 124 4.557 4.557 5.075 -0.518 25411 1642 1 3 . 1 1 124 124 HIS CA C 124 55.385 55.385 53.797 1.588 25411 1643 1 3 . 1 1 124 124 HIS CB C 124 29.358 29.358 30.098 -0.740 25411 1644 1 3 . 1 1 124 124 HIS H H 124 8.255 8.255 7.889 0.365 25411 1645 1 4 . 1 1 3 3 GLN N N 3 122.360 122.360 120.297 2.063 25411 1646 1 4 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.469 -0.581 25411 1647 1 4 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.692 2.050 25411 1648 1 4 . 1 1 3 3 GLN CB C 3 28.383 28.383 29.135 -0.752 25411 1649 1 4 . 1 1 3 3 GLN H H 3 9.398 9.398 8.453 0.945 25411 1650 1 4 . 1 1 4 4 GLU N N 4 119.689 119.689 120.116 -0.427 25411 1651 1 4 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.177 0.497 25411 1652 1 4 . 1 1 4 4 GLU CA C 4 57.807 57.807 58.020 -0.213 25411 1653 1 4 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.607 0.094 25411 1654 1 4 . 1 1 4 4 GLU H H 4 7.464 7.464 8.916 -1.452 25411 1655 1 4 . 1 1 5 5 LEU N N 5 114.872 114.872 121.921 -7.049 25411 1656 1 4 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.164 -0.463 25411 1657 1 4 . 1 1 5 5 LEU CA C 5 57.738 57.738 57.973 -0.235 25411 1658 1 4 . 1 1 5 5 LEU CB C 5 40.815 40.815 42.017 -1.202 25411 1659 1 4 . 1 1 5 5 LEU H H 5 8.206 8.206 7.695 0.511 25411 1660 1 4 . 1 1 6 6 SER N N 6 109.762 109.762 113.349 -3.587 25411 1661 1 4 . 1 1 6 6 SER HA H 6 4.092 4.092 4.150 -0.058 25411 1662 1 4 . 1 1 6 6 SER CA C 6 60.415 60.415 61.989 -1.573 25411 1663 1 4 . 1 1 6 6 SER CB C 6 63.391 63.391 62.591 0.800 25411 1664 1 4 . 1 1 6 6 SER H H 6 8.253 8.253 8.392 -0.139 25411 1665 1 4 . 1 1 7 7 GLN N N 7 117.498 117.498 122.549 -5.051 25411 1666 1 4 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.177 -0.222 25411 1667 1 4 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.742 -0.317 25411 1668 1 4 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.775 -0.036 25411 1669 1 4 . 1 1 7 7 GLN H H 7 8.673 8.673 7.940 0.733 25411 1670 1 4 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.270 -0.473 25411 1671 1 4 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.853 -0.798 25411 1672 1 4 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.088 -0.979 25411 1673 1 4 . 1 1 9 9 GLU N N 9 120.354 120.354 119.799 0.555 25411 1674 1 4 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.460 -0.501 25411 1675 1 4 . 1 1 9 9 GLU CA C 9 60.258 60.258 58.727 1.531 25411 1676 1 4 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.435 -0.208 25411 1677 1 4 . 1 1 9 9 GLU H H 9 7.690 7.690 8.548 -0.858 25411 1678 1 4 . 1 1 10 10 ARG N N 10 118.753 118.753 120.304 -1.551 25411 1679 1 4 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.061 0.038 25411 1680 1 4 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.615 -1.394 25411 1681 1 4 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.250 -1.155 25411 1682 1 4 . 1 1 10 10 ARG H H 10 8.928 8.928 8.078 0.850 25411 1683 1 4 . 1 1 11 11 TYR N N 11 121.288 121.288 118.946 2.342 25411 1684 1 4 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.231 -0.042 25411 1685 1 4 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.203 -0.967 25411 1686 1 4 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.339 -0.478 25411 1687 1 4 . 1 1 11 11 TYR H H 11 7.562 7.562 8.551 -0.989 25411 1688 1 4 . 1 1 12 12 VAL N N 12 119.304 119.304 119.942 -0.638 25411 1689 1 4 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.628 -0.545 25411 1690 1 4 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.712 0.123 25411 1691 1 4 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.678 -0.579 25411 1692 1 4 . 1 1 12 12 VAL H H 12 8.075 8.075 7.818 0.257 25411 1693 1 4 . 1 1 13 13 GLU N N 13 119.685 119.685 120.112 -0.427 25411 1694 1 4 . 1 1 13 13 GLU HA H 13 4.155 4.155 3.982 0.173 25411 1695 1 4 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.454 -0.029 25411 1696 1 4 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.264 -0.076 25411 1697 1 4 . 1 1 13 13 GLU H H 13 8.278 8.278 7.887 0.391 25411 1698 1 4 . 1 1 14 14 GLN N N 14 119.682 119.682 119.782 -0.100 25411 1699 1 4 . 1 1 14 14 GLN HA H 14 3.656 3.656 3.967 -0.311 25411 1700 1 4 . 1 1 14 14 GLN CA C 14 59.969 59.969 59.004 0.965 25411 1701 1 4 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.490 1.183 25411 1702 1 4 . 1 1 14 14 GLN H H 14 7.653 7.653 8.095 -0.442 25411 1703 1 4 . 1 1 15 15 LEU N N 15 121.000 121.000 118.873 2.127 25411 1704 1 4 . 1 1 15 15 LEU HA H 15 3.921 3.921 3.993 -0.072 25411 1705 1 4 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.833 0.622 25411 1706 1 4 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.229 -0.469 25411 1707 1 4 . 1 1 15 15 LEU H H 15 8.402 8.402 8.441 -0.039 25411 1708 1 4 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.846 -0.150 25411 1709 1 4 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.288 -0.030 25411 1710 1 4 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.284 -0.149 25411 1711 1 4 . 1 1 17 17 GLN N N 17 117.558 117.558 118.476 -0.918 25411 1712 1 4 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.058 -0.171 25411 1713 1 4 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.699 -0.257 25411 1714 1 4 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.741 -0.696 25411 1715 1 4 . 1 1 17 17 GLN H H 17 7.849 7.849 7.851 -0.002 25411 1716 1 4 . 1 1 18 18 ALA N N 18 120.288 120.288 123.225 -2.937 25411 1717 1 4 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.125 -0.337 25411 1718 1 4 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.939 -0.046 25411 1719 1 4 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.605 -1.209 25411 1720 1 4 . 1 1 18 18 ALA H H 18 8.504 8.504 8.352 0.152 25411 1721 1 4 . 1 1 19 19 LEU N N 19 116.974 116.974 117.974 -1.000 25411 1722 1 4 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.064 -0.305 25411 1723 1 4 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.764 0.788 25411 1724 1 4 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.748 -1.055 25411 1725 1 4 . 1 1 19 19 LEU H H 19 8.143 8.143 8.423 -0.280 25411 1726 1 4 . 1 1 20 20 LYS N N 20 117.776 117.776 122.045 -4.269 25411 1727 1 4 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.097 -0.142 25411 1728 1 4 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.564 -0.020 25411 1729 1 4 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.418 -1.932 25411 1730 1 4 . 1 1 20 20 LYS H H 20 8.340 8.340 8.159 0.181 25411 1731 1 4 . 1 1 21 21 THR N N 21 116.373 116.373 112.411 3.962 25411 1732 1 4 . 1 1 21 21 THR HA H 21 4.107 4.107 4.212 -0.105 25411 1733 1 4 . 1 1 21 21 THR CA C 21 64.611 64.611 64.569 0.042 25411 1734 1 4 . 1 1 21 21 THR CB C 21 68.811 68.811 68.373 0.438 25411 1735 1 4 . 1 1 21 21 THR H H 21 7.302 7.302 7.969 -0.667 25411 1736 1 4 . 1 1 22 22 ARG N N 22 118.647 118.647 119.598 -0.951 25411 1737 1 4 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.478 -0.116 25411 1738 1 4 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.772 -1.707 25411 1739 1 4 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.137 -1.609 25411 1740 1 4 . 1 1 22 22 ARG H H 22 7.290 7.290 7.740 -0.450 25411 1741 1 4 . 1 1 23 23 GLY N N 23 108.637 108.637 107.832 0.805 25411 1742 1 4 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.722 0.390 25411 1743 1 4 . 1 1 23 23 GLY H H 23 7.881 7.881 7.750 0.131 25411 1744 1 4 . 1 1 24 24 VAL N N 24 117.390 117.390 122.972 -5.582 25411 1745 1 4 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.852 0.162 25411 1746 1 4 . 1 1 24 24 VAL CA C 24 61.668 61.668 62.264 -0.596 25411 1747 1 4 . 1 1 24 24 VAL CB C 24 32.372 32.372 28.539 3.833 25411 1748 1 4 . 1 1 24 24 VAL H H 24 7.333 7.333 7.572 -0.239 25411 1749 1 4 . 1 1 25 25 LYS N N 25 127.322 127.322 118.819 8.503 25411 1750 1 4 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.906 0.426 25411 1751 1 4 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.353 -1.591 25411 1752 1 4 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.867 -0.106 25411 1753 1 4 . 1 1 25 25 LYS H H 25 8.722 8.722 8.292 0.430 25411 1754 1 4 . 1 1 26 26 VAL N N 26 120.568 120.568 118.170 2.398 25411 1755 1 4 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.302 -0.224 25411 1756 1 4 . 1 1 26 26 VAL CA C 26 60.665 60.665 62.360 -1.695 25411 1757 1 4 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.845 -0.198 25411 1758 1 4 . 1 1 26 26 VAL H H 26 7.119 7.119 8.260 -1.141 25411 1759 1 4 . 1 1 27 27 LYS N N 27 125.675 125.675 127.994 -2.319 25411 1760 1 4 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.378 -0.052 25411 1761 1 4 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.365 0.046 25411 1762 1 4 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.749 -2.790 25411 1763 1 4 . 1 1 27 27 LYS H H 27 8.570 8.570 7.955 0.615 25411 1764 1 4 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.489 -0.472 25411 1765 1 4 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.773 -2.361 25411 1766 1 4 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.764 2.076 25411 1767 1 4 . 1 1 29 29 ALA N N 29 120.743 120.743 128.600 -7.857 25411 1768 1 4 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.137 -0.469 25411 1769 1 4 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.096 -0.418 25411 1770 1 4 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.121 -1.121 25411 1771 1 4 . 1 1 29 29 ALA H H 29 8.323 8.323 8.801 -0.478 25411 1772 1 4 . 1 1 30 30 ASP N N 30 117.202 117.202 118.503 -1.301 25411 1773 1 4 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.551 -0.270 25411 1774 1 4 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.480 0.073 25411 1775 1 4 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.438 0.369 25411 1776 1 4 . 1 1 30 30 ASP H H 30 6.872 6.872 8.899 -2.027 25411 1777 1 4 . 1 1 31 31 LEU N N 31 122.273 122.273 118.656 3.617 25411 1778 1 4 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.363 -0.817 25411 1779 1 4 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.646 0.079 25411 1780 1 4 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.135 -1.477 25411 1781 1 4 . 1 1 31 31 LEU H H 31 7.433 7.433 7.651 -0.218 25411 1782 1 4 . 1 1 32 32 LEU N N 32 123.376 123.376 119.248 4.128 25411 1783 1 4 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.261 -0.646 25411 1784 1 4 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.985 0.111 25411 1785 1 4 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.944 -1.402 25411 1786 1 4 . 1 1 32 32 LEU H H 32 8.727 8.727 7.923 0.804 25411 1787 1 4 . 1 1 33 33 LYS N N 33 118.078 118.078 120.181 -2.103 25411 1788 1 4 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.608 -0.395 25411 1789 1 4 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.103 -0.005 25411 1790 1 4 . 1 1 33 33 LYS CB C 33 31.890 31.890 31.948 -0.058 25411 1791 1 4 . 1 1 33 33 LYS H H 33 7.149 7.149 7.569 -0.420 25411 1792 1 4 . 1 1 34 34 PHE N N 34 117.398 117.398 120.804 -3.406 25411 1793 1 4 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.548 -4.854 25411 1794 1 4 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.002 2.217 25411 1795 1 4 . 1 1 34 34 PHE H H 34 7.633 7.633 8.607 -0.974 25411 1796 1 4 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.089 -0.296 25411 1797 1 4 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.988 -0.396 25411 1798 1 4 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.455 -2.441 25411 1799 1 4 . 1 1 36 36 ASP N N 36 120.136 120.136 119.352 0.784 25411 1800 1 4 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.439 -0.343 25411 1801 1 4 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.148 -0.207 25411 1802 1 4 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.703 -1.599 25411 1803 1 4 . 1 1 36 36 ASP H H 36 8.330 8.330 8.901 -0.571 25411 1804 1 4 . 1 1 37 37 PHE N N 37 121.883 121.883 121.424 0.459 25411 1805 1 4 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.356 -0.098 25411 1806 1 4 . 1 1 37 37 PHE CA C 37 59.698 59.698 60.924 -1.226 25411 1807 1 4 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.307 0.878 25411 1808 1 4 . 1 1 37 37 PHE H H 37 7.794 7.794 8.328 -0.534 25411 1809 1 4 . 1 1 38 38 VAL N N 38 118.525 118.525 118.736 -0.211 25411 1810 1 4 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.583 -0.544 25411 1811 1 4 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.064 0.818 25411 1812 1 4 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.244 -0.556 25411 1813 1 4 . 1 1 38 38 VAL H H 38 8.262 8.262 7.829 0.433 25411 1814 1 4 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.961 -0.505 25411 1815 1 4 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.066 -0.012 25411 1816 1 4 . 1 1 39 39 LYS CB C 39 31.696 31.696 32.041 -0.345 25411 1817 1 4 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.483 -0.038 25411 1818 1 4 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.239 0.746 25411 1819 1 4 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.382 -0.690 25411 1820 1 4 . 1 1 41 41 ILE N N 41 120.641 120.641 118.573 2.068 25411 1821 1 4 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.068 -0.043 25411 1822 1 4 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.519 -2.867 25411 1823 1 4 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.584 -0.520 25411 1824 1 4 . 1 1 41 41 ILE H H 41 8.788 8.788 7.693 1.095 25411 1825 1 4 . 1 1 42 42 CYS N N 42 117.896 117.896 117.003 0.893 25411 1826 1 4 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.523 0.649 25411 1827 1 4 . 1 1 42 42 CYS CB C 42 28.324 28.324 29.490 -1.166 25411 1828 1 4 . 1 1 42 42 CYS H H 42 7.180 7.180 7.420 -0.240 25411 1829 1 4 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.089 0.226 25411 1830 1 4 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.706 0.298 25411 1831 1 4 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.038 -0.323 25411 1832 1 4 . 1 1 44 44 TRP N N 44 113.823 113.823 116.091 -2.268 25411 1833 1 4 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.276 0.029 25411 1834 1 4 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.454 -2.056 25411 1835 1 4 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.144 -1.333 25411 1836 1 4 . 1 1 44 44 TRP H H 44 6.591 6.591 7.580 -0.989 25411 1837 1 4 . 1 1 45 45 PHE N N 45 123.100 123.100 115.859 7.241 25411 1838 1 4 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.029 -1.028 25411 1839 1 4 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.568 8.241 25411 1840 1 4 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.286 -3.351 25411 1841 1 4 . 1 1 45 45 PHE H H 45 7.239 7.239 7.593 -0.354 25411 1842 1 4 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.283 -0.271 25411 1843 1 4 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.616 -0.085 25411 1844 1 4 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.842 -1.355 25411 1845 1 4 . 1 1 47 47 GLN N N 47 114.502 114.502 117.665 -3.163 25411 1846 1 4 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.061 -0.124 25411 1847 1 4 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.331 0.073 25411 1848 1 4 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.143 1.177 25411 1849 1 4 . 1 1 47 47 GLN H H 47 6.518 6.518 8.670 -2.152 25411 1850 1 4 . 1 1 48 48 GLU N N 48 117.358 117.358 118.237 -0.879 25411 1851 1 4 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.192 -0.154 25411 1852 1 4 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.520 1.652 25411 1853 1 4 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.204 -1.250 25411 1854 1 4 . 1 1 48 48 GLU H H 48 7.318 7.318 7.886 -0.568 25411 1855 1 4 . 1 1 49 49 GLY N N 49 105.534 105.534 108.391 -2.857 25411 1856 1 4 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.741 1.562 25411 1857 1 4 . 1 1 49 49 GLY H H 49 7.296 7.296 7.630 -0.334 25411 1858 1 4 . 1 1 50 50 THR N N 50 114.069 114.069 112.791 1.278 25411 1859 1 4 . 1 1 50 50 THR HA H 50 4.234 4.234 4.431 -0.197 25411 1860 1 4 . 1 1 50 50 THR CA C 50 61.683 61.683 60.117 1.566 25411 1861 1 4 . 1 1 50 50 THR CB C 50 70.718 70.718 70.869 -0.151 25411 1862 1 4 . 1 1 50 50 THR H H 50 7.597 7.597 7.721 -0.124 25411 1863 1 4 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.245 -0.120 25411 1864 1 4 . 1 1 51 51 ILE CA C 51 59.870 59.870 60.330 -0.460 25411 1865 1 4 . 1 1 51 51 ILE CB C 51 35.288 35.288 40.010 -4.722 25411 1866 1 4 . 1 1 52 52 ASP N N 52 121.791 121.791 123.574 -1.783 25411 1867 1 4 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.864 -0.241 25411 1868 1 4 . 1 1 52 52 ASP CA C 52 51.732 51.732 53.081 -1.349 25411 1869 1 4 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.342 -1.881 25411 1870 1 4 . 1 1 52 52 ASP H H 52 7.168 7.168 8.173 -1.005 25411 1871 1 4 . 1 1 53 53 ILE N N 53 119.537 119.537 119.264 0.273 25411 1872 1 4 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.390 -0.255 25411 1873 1 4 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.340 -0.544 25411 1874 1 4 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.066 -1.251 25411 1875 1 4 . 1 1 53 53 ILE H H 53 8.336 8.336 8.491 -0.155 25411 1876 1 4 . 1 1 54 54 LYS N N 54 123.592 123.592 121.914 1.678 25411 1877 1 4 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.291 -0.186 25411 1878 1 4 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.110 -0.138 25411 1879 1 4 . 1 1 54 54 LYS CB C 54 31.748 31.748 31.926 -0.178 25411 1880 1 4 . 1 1 54 54 LYS H H 54 8.104 8.104 8.515 -0.411 25411 1881 1 4 . 1 1 55 55 ARG N N 55 120.511 120.511 120.032 0.479 25411 1882 1 4 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.148 0.153 25411 1883 1 4 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.525 0.378 25411 1884 1 4 . 1 1 55 55 ARG CB C 55 30.056 30.056 29.928 0.128 25411 1885 1 4 . 1 1 55 55 ARG H H 55 9.196 9.196 8.383 0.813 25411 1886 1 4 . 1 1 56 56 TRP N N 56 120.681 120.681 120.754 -0.073 25411 1887 1 4 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.393 0.310 25411 1888 1 4 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.706 -1.300 25411 1889 1 4 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.064 0.950 25411 1890 1 4 . 1 1 56 56 TRP H H 56 8.899 8.899 8.162 0.737 25411 1891 1 4 . 1 1 57 57 ARG N N 57 122.115 122.115 119.050 3.065 25411 1892 1 4 . 1 1 57 57 ARG HA H 57 4.407 4.407 4.116 0.291 25411 1893 1 4 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.695 0.332 25411 1894 1 4 . 1 1 57 57 ARG CB C 57 29.786 29.786 30.036 -0.250 25411 1895 1 4 . 1 1 57 57 ARG H H 57 9.210 9.210 8.396 0.814 25411 1896 1 4 . 1 1 58 58 ARG N N 58 120.918 120.918 119.250 1.668 25411 1897 1 4 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.527 0.318 25411 1898 1 4 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.224 -0.495 25411 1899 1 4 . 1 1 58 58 ARG H H 58 7.640 7.640 7.772 -0.132 25411 1900 1 4 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.831 -0.067 25411 1901 1 4 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.401 0.599 25411 1902 1 4 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.015 -0.183 25411 1903 1 4 . 1 1 59 59 VAL H H 59 7.916 7.916 7.604 0.312 25411 1904 1 4 . 1 1 60 60 GLY N N 60 106.856 106.856 107.265 -0.409 25411 1905 1 4 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.036 -0.955 25411 1906 1 4 . 1 1 60 60 GLY H H 60 7.623 7.623 8.233 -0.610 25411 1907 1 4 . 1 1 61 61 ASP N N 61 123.308 123.308 123.006 0.302 25411 1908 1 4 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.520 -0.295 25411 1909 1 4 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.082 -0.282 25411 1910 1 4 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.939 -1.455 25411 1911 1 4 . 1 1 61 61 ASP H H 61 8.203 8.203 8.161 0.042 25411 1912 1 4 . 1 1 62 62 CYS N N 62 120.841 120.841 118.605 2.236 25411 1913 1 4 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.044 0.194 25411 1914 1 4 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.357 -1.407 25411 1915 1 4 . 1 1 62 62 CYS CB C 62 26.503 26.503 27.621 -1.118 25411 1916 1 4 . 1 1 62 62 CYS H H 62 7.795 7.795 7.631 0.164 25411 1917 1 4 . 1 1 63 63 PHE N N 63 119.763 119.763 120.353 -0.590 25411 1918 1 4 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.190 0.088 25411 1919 1 4 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.747 -3.090 25411 1920 1 4 . 1 1 63 63 PHE CB C 63 36.990 36.990 39.338 -2.348 25411 1921 1 4 . 1 1 63 63 PHE H H 63 8.647 8.647 7.974 0.673 25411 1922 1 4 . 1 1 64 64 GLN N N 64 118.578 118.578 119.262 -0.684 25411 1923 1 4 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.018 0.290 25411 1924 1 4 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.596 0.737 25411 1925 1 4 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.143 0.436 25411 1926 1 4 . 1 1 64 64 GLN H H 64 8.261 8.261 8.534 -0.273 25411 1927 1 4 . 1 1 65 65 ASP N N 65 119.534 119.534 121.313 -1.779 25411 1928 1 4 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.341 0.143 25411 1929 1 4 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.131 0.198 25411 1930 1 4 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.850 -1.179 25411 1931 1 4 . 1 1 65 65 ASP H H 65 8.338 8.338 8.317 0.021 25411 1932 1 4 . 1 1 66 66 TYR N N 66 123.600 123.600 121.907 1.693 25411 1933 1 4 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.843 0.659 25411 1934 1 4 . 1 1 66 66 TYR CA C 66 61.231 61.231 61.971 -0.740 25411 1935 1 4 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.340 0.093 25411 1936 1 4 . 1 1 66 66 TYR H H 66 7.804 7.804 8.278 -0.474 25411 1937 1 4 . 1 1 67 67 TYR N N 67 122.825 122.825 117.832 4.993 25411 1938 1 4 . 1 1 67 67 TYR HA H 67 3.997 3.997 4.024 -0.027 25411 1939 1 4 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.610 0.293 25411 1940 1 4 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.383 0.563 25411 1941 1 4 . 1 1 67 67 TYR H H 67 9.100 9.100 8.111 0.989 25411 1942 1 4 . 1 1 68 68 ASN N N 68 118.826 118.826 117.496 1.330 25411 1943 1 4 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.325 -0.042 25411 1944 1 4 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.875 -0.443 25411 1945 1 4 . 1 1 68 68 ASN CB C 68 37.876 37.876 37.780 0.096 25411 1946 1 4 . 1 1 68 68 ASN H H 68 8.853 8.853 8.488 0.365 25411 1947 1 4 . 1 1 69 69 THR N N 69 114.242 114.242 115.447 -1.205 25411 1948 1 4 . 1 1 69 69 THR HA H 69 3.837 3.837 4.020 -0.183 25411 1949 1 4 . 1 1 69 69 THR CA C 69 65.328 65.328 65.282 0.046 25411 1950 1 4 . 1 1 69 69 THR CB C 69 69.249 69.249 68.106 1.143 25411 1951 1 4 . 1 1 69 69 THR H H 69 7.847 7.847 8.038 -0.191 25411 1952 1 4 . 1 1 70 70 PHE N N 70 117.970 117.970 118.105 -0.135 25411 1953 1 4 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.363 0.201 25411 1954 1 4 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.028 0.214 25411 1955 1 4 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.427 2.647 25411 1956 1 4 . 1 1 70 70 PHE H H 70 8.489 8.489 7.094 1.395 25411 1957 1 4 . 1 1 71 71 GLY N N 71 109.516 109.516 108.325 1.191 25411 1958 1 4 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.755 0.277 25411 1959 1 4 . 1 1 71 71 GLY H H 71 7.968 7.968 7.483 0.485 25411 1960 1 4 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.364 0.347 25411 1961 1 4 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.297 1.000 25411 1962 1 4 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.499 0.245 25411 1963 1 4 . 1 1 73 73 GLU N N 73 117.720 117.720 127.392 -9.672 25411 1964 1 4 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.081 -0.182 25411 1965 1 4 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.618 0.118 25411 1966 1 4 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.589 -0.726 25411 1967 1 4 . 1 1 73 73 GLU H H 73 8.586 8.586 8.536 0.050 25411 1968 1 4 . 1 1 74 74 LYS N N 74 116.974 116.974 118.975 -2.001 25411 1969 1 4 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.451 -0.062 25411 1970 1 4 . 1 1 74 74 LYS CA C 74 55.185 55.185 54.595 0.590 25411 1971 1 4 . 1 1 74 74 LYS CB C 74 34.087 34.087 31.376 2.711 25411 1972 1 4 . 1 1 74 74 LYS H H 74 7.505 7.505 8.165 -0.660 25411 1973 1 4 . 1 1 75 75 VAL N N 75 117.309 117.309 124.070 -6.761 25411 1974 1 4 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.267 0.046 25411 1975 1 4 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.772 1.273 25411 1976 1 4 . 1 1 75 75 VAL CB C 75 31.984 31.984 31.897 0.087 25411 1977 1 4 . 1 1 75 75 VAL H H 75 7.402 7.402 7.394 0.008 25411 1978 1 4 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.558 0.004 25411 1979 1 4 . 1 1 76 76 PRO CA C 76 61.687 61.687 63.018 -1.331 25411 1980 1 4 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.717 -0.986 25411 1981 1 4 . 1 1 77 77 VAL N N 77 120.870 120.870 121.201 -0.331 25411 1982 1 4 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.154 -0.326 25411 1983 1 4 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.477 1.361 25411 1984 1 4 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.123 -0.736 25411 1985 1 4 . 1 1 77 77 VAL H H 77 8.473 8.473 8.872 -0.399 25411 1986 1 4 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.918 -0.066 25411 1987 1 4 . 1 1 78 78 ILE CA C 78 61.125 61.125 63.952 -2.827 25411 1988 1 4 . 1 1 78 78 ILE CB C 78 37.135 37.135 37.048 0.087 25411 1989 1 4 . 1 1 78 78 ILE H H 78 8.388 8.388 7.932 0.456 25411 1990 1 4 . 1 1 79 79 ALA N N 79 123.960 123.960 123.557 0.403 25411 1991 1 4 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.090 -0.200 25411 1992 1 4 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.438 0.451 25411 1993 1 4 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.529 -0.906 25411 1994 1 4 . 1 1 79 79 ALA H H 79 7.953 7.953 8.036 -0.083 25411 1995 1 4 . 1 1 80 80 PHE N N 80 114.330 114.330 115.881 -1.551 25411 1996 1 4 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.588 -0.157 25411 1997 1 4 . 1 1 80 80 PHE CA C 80 61.312 61.312 60.010 1.302 25411 1998 1 4 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.347 -1.692 25411 1999 1 4 . 1 1 80 80 PHE H H 80 7.499 7.499 8.424 -0.925 25411 2000 1 4 . 1 1 81 81 SER N N 81 115.971 115.971 115.032 0.939 25411 2001 1 4 . 1 1 81 81 SER HA H 81 4.206 4.206 4.427 -0.221 25411 2002 1 4 . 1 1 81 81 SER CA C 81 58.432 58.432 59.873 -1.441 25411 2003 1 4 . 1 1 81 81 SER CB C 81 63.575 63.575 63.547 0.028 25411 2004 1 4 . 1 1 81 81 SER H H 81 8.225 8.225 7.625 0.600 25411 2005 1 4 . 1 1 82 82 TYR N N 82 121.997 121.997 123.225 -1.228 25411 2006 1 4 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.435 0.012 25411 2007 1 4 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.425 -4.540 25411 2008 1 4 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.805 -0.967 25411 2009 1 4 . 1 1 82 82 TYR H H 82 8.378 8.378 7.566 0.812 25411 2010 1 4 . 1 1 83 83 TRP N N 83 120.268 120.268 121.540 -1.272 25411 2011 1 4 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.251 -4.858 25411 2012 1 4 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.947 -1.053 25411 2013 1 4 . 1 1 83 83 TRP H H 83 8.546 8.546 9.470 -0.924 25411 2014 1 4 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.359 -0.139 25411 2015 1 4 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.419 0.210 25411 2016 1 4 . 1 1 84 84 ASN CB C 84 39.065 39.065 38.058 1.007 25411 2017 1 4 . 1 1 85 85 LEU HA H 85 4.046 4.046 3.960 0.086 25411 2018 1 4 . 1 1 85 85 LEU CA C 85 58.142 58.142 56.874 1.268 25411 2019 1 4 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.666 0.026 25411 2020 1 4 . 1 1 86 86 ILE N N 86 117.000 117.000 120.543 -3.543 25411 2021 1 4 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.391 0.055 25411 2022 1 4 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.650 -2.367 25411 2023 1 4 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.773 -1.361 25411 2024 1 4 . 1 1 86 86 ILE H H 86 7.882 7.882 7.592 0.290 25411 2025 1 4 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.681 -0.455 25411 2026 1 4 . 1 1 87 87 LYS CA C 87 59.996 59.996 58.889 1.107 25411 2027 1 4 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.489 -0.440 25411 2028 1 4 . 1 1 88 88 GLU N N 88 116.404 116.404 118.680 -2.276 25411 2029 1 4 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.299 -0.452 25411 2030 1 4 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.509 0.402 25411 2031 1 4 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.189 -0.220 25411 2032 1 4 . 1 1 88 88 GLU H H 88 7.689 7.689 7.490 0.199 25411 2033 1 4 . 1 1 89 89 LEU N N 89 118.193 118.193 121.157 -2.964 25411 2034 1 4 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.111 -0.222 25411 2035 1 4 . 1 1 89 89 LEU CA C 89 57.963 57.963 57.047 0.916 25411 2036 1 4 . 1 1 89 89 LEU CB C 89 41.300 41.300 41.893 -0.593 25411 2037 1 4 . 1 1 89 89 LEU H H 89 7.415 7.415 7.869 -0.454 25411 2038 1 4 . 1 1 90 90 ILE N N 90 115.471 115.471 120.537 -5.066 25411 2039 1 4 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.643 -0.225 25411 2040 1 4 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.180 0.728 25411 2041 1 4 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.740 -0.146 25411 2042 1 4 . 1 1 90 90 ILE H H 90 7.718 7.718 7.441 0.277 25411 2043 1 4 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.484 -0.764 25411 2044 1 4 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.897 0.767 25411 2045 1 4 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.084 0.448 25411 2046 1 4 . 1 1 92 92 LYS N N 92 119.253 119.253 119.229 0.024 25411 2047 1 4 . 1 1 92 92 LYS CA C 92 58.897 58.897 57.547 1.350 25411 2048 1 4 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.018 -0.030 25411 2049 1 4 . 1 1 92 92 LYS H H 92 7.869 7.869 7.553 0.316 25411 2050 1 4 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.934 0.597 25411 2051 1 4 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.974 -3.716 25411 2052 1 4 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.921 0.248 25411 2053 1 4 . 1 1 94 94 GLU N N 94 116.729 116.729 120.671 -3.942 25411 2054 1 4 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.090 0.043 25411 2055 1 4 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.011 0.308 25411 2056 1 4 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.321 -1.946 25411 2057 1 4 . 1 1 94 94 GLU H H 94 8.393 8.393 8.075 0.318 25411 2058 1 4 . 1 1 95 95 VAL N N 95 121.696 121.696 117.445 4.251 25411 2059 1 4 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.847 0.635 25411 2060 1 4 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.610 3.111 25411 2061 1 4 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.490 1.403 25411 2062 1 4 . 1 1 95 95 VAL H H 95 7.923 7.923 7.702 0.221 25411 2063 1 4 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.476 -0.118 25411 2064 1 4 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.120 0.487 25411 2065 1 4 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.621 -0.747 25411 2066 1 4 . 1 1 98 98 GLN N N 98 117.731 117.731 119.622 -1.891 25411 2067 1 4 . 1 1 98 98 GLN HA H 98 3.925 3.925 3.994 -0.069 25411 2068 1 4 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.833 -0.225 25411 2069 1 4 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.860 0.661 25411 2070 1 4 . 1 1 98 98 GLN H H 98 8.359 8.359 8.854 -0.495 25411 2071 1 4 . 1 1 99 99 VAL N N 99 121.326 121.326 117.806 3.520 25411 2072 1 4 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.810 -0.390 25411 2073 1 4 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.272 1.132 25411 2074 1 4 . 1 1 99 99 VAL CB C 99 31.619 31.619 30.786 0.833 25411 2075 1 4 . 1 1 99 99 VAL H H 99 7.901 7.901 8.133 -0.232 25411 2076 1 4 . 1 1 100 100 MET N N 100 120.447 120.447 116.286 4.161 25411 2077 1 4 . 1 1 100 100 MET HA H 100 3.812 3.812 4.410 -0.598 25411 2078 1 4 . 1 1 100 100 MET CA C 100 59.297 59.297 56.626 2.671 25411 2079 1 4 . 1 1 100 100 MET CB C 100 32.099 32.099 32.364 -0.265 25411 2080 1 4 . 1 1 100 100 MET H H 100 7.509 7.509 7.692 -0.183 25411 2081 1 4 . 1 1 101 101 ALA N N 101 119.458 119.458 121.476 -2.018 25411 2082 1 4 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.222 -0.012 25411 2083 1 4 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.409 0.343 25411 2084 1 4 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.548 -1.027 25411 2085 1 4 . 1 1 101 101 ALA H H 101 7.889 7.889 7.645 0.244 25411 2086 1 4 . 1 1 102 102 ALA N N 102 119.627 119.627 121.069 -1.442 25411 2087 1 4 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.113 -0.120 25411 2088 1 4 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.476 0.412 25411 2089 1 4 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.324 -0.980 25411 2090 1 4 . 1 1 102 102 ALA H H 102 7.563 7.563 8.315 -0.752 25411 2091 1 4 . 1 1 103 103 VAL N N 103 122.690 122.690 118.597 4.093 25411 2092 1 4 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.864 0.209 25411 2093 1 4 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.984 -4.298 25411 2094 1 4 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.045 2.177 25411 2095 1 4 . 1 1 103 103 VAL H H 103 8.828 8.828 7.961 0.867 25411 2096 1 4 . 1 1 104 104 ALA N N 104 128.041 128.041 119.016 9.025 25411 2097 1 4 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.170 0.099 25411 2098 1 4 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.527 -2.386 25411 2099 1 4 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.467 0.473 25411 2100 1 4 . 1 1 104 104 ALA H H 104 8.367 8.367 7.535 0.832 25411 2101 1 4 . 1 1 105 105 GLN N N 105 120.265 120.265 115.813 4.452 25411 2102 1 4 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.120 -0.188 25411 2103 1 4 . 1 1 105 105 GLN CB C 105 29.020 29.020 30.324 -1.304 25411 2104 1 4 . 1 1 105 105 GLN H H 105 8.356 8.356 7.895 0.461 25411 2105 1 4 . 1 1 106 106 THR HA H 106 4.320 4.320 4.416 -0.096 25411 2106 1 4 . 1 1 106 106 THR CA C 106 61.346 61.346 64.168 -2.822 25411 2107 1 4 . 1 1 106 106 THR CB C 106 69.293 69.293 69.064 0.229 25411 2108 1 4 . 1 1 107 107 GLU N N 107 122.706 122.706 121.023 1.683 25411 2109 1 4 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.213 -0.031 25411 2110 1 4 . 1 1 107 107 GLU CA C 107 56.576 56.576 58.191 -1.615 25411 2111 1 4 . 1 1 107 107 GLU CB C 107 29.936 29.936 30.766 -0.830 25411 2112 1 4 . 1 1 107 107 GLU H H 107 8.404 8.404 7.632 0.772 25411 2113 1 4 . 1 1 108 108 GLU N N 108 122.034 122.034 115.865 6.169 25411 2114 1 4 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.163 -0.002 25411 2115 1 4 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.316 -0.668 25411 2116 1 4 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.606 0.070 25411 2117 1 4 . 1 1 108 108 GLU H H 108 7.341 7.341 7.781 -0.440 25411 2118 1 4 . 1 1 109 109 ILE N N 109 122.151 122.151 114.891 7.260 25411 2119 1 4 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.227 -0.180 25411 2120 1 4 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.952 -1.387 25411 2121 1 4 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.474 -0.370 25411 2122 1 4 . 1 1 109 109 ILE H H 109 8.058 8.058 8.655 -0.597 25411 2123 1 4 . 1 1 110 110 LEU N N 110 122.427 122.427 121.391 1.036 25411 2124 1 4 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.093 0.183 25411 2125 1 4 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.479 -1.328 25411 2126 1 4 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.737 -8.482 25411 2127 1 4 . 1 1 110 110 LEU H H 110 8.194 8.194 7.908 0.286 25411 2128 1 4 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.000 0.247 25411 2129 1 4 . 1 1 111 111 LYS CA C 111 56.137 56.137 58.758 -2.621 25411 2130 1 4 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.270 0.299 25411 2131 1 4 . 1 1 112 112 SER N N 112 116.453 116.453 112.812 3.641 25411 2132 1 4 . 1 1 112 112 SER HA H 112 4.175 4.175 4.036 0.139 25411 2133 1 4 . 1 1 112 112 SER CA C 112 58.311 58.311 61.253 -2.942 25411 2134 1 4 . 1 1 112 112 SER CB C 112 63.441 63.441 61.845 1.596 25411 2135 1 4 . 1 1 112 112 SER H H 112 8.204 8.204 8.043 0.161 25411 2136 1 4 . 1 1 113 113 ASN N N 113 119.747 119.747 120.405 -0.658 25411 2137 1 4 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.822 -0.178 25411 2138 1 4 . 1 1 113 113 ASN CA C 113 53.645 53.645 53.047 0.598 25411 2139 1 4 . 1 1 113 113 ASN CB C 113 38.646 38.646 39.064 -0.418 25411 2140 1 4 . 1 1 113 113 ASN H H 113 7.944 7.944 8.391 -0.447 25411 2141 1 4 . 1 1 114 114 SER N N 114 115.433 115.433 115.163 0.270 25411 2142 1 4 . 1 1 114 114 SER HA H 114 4.336 4.336 4.183 0.153 25411 2143 1 4 . 1 1 114 114 SER CA C 114 58.711 58.711 56.914 1.797 25411 2144 1 4 . 1 1 114 114 SER CB C 114 63.308 63.308 63.612 -0.304 25411 2145 1 4 . 1 1 114 114 SER H H 114 7.962 7.962 7.969 -0.007 25411 2146 1 4 . 1 1 115 115 GLN N N 115 121.682 121.682 116.345 5.337 25411 2147 1 4 . 1 1 115 115 GLN HA H 115 4.274 4.274 3.999 0.275 25411 2148 1 4 . 1 1 115 115 GLN CA C 115 56.193 56.193 57.768 -1.575 25411 2149 1 4 . 1 1 115 115 GLN CB C 115 28.807 28.807 28.345 0.462 25411 2150 1 4 . 1 1 115 115 GLN H H 115 8.207 8.207 8.603 -0.396 25411 2151 1 4 . 1 1 116 116 THR N N 116 114.715 114.715 107.605 7.110 25411 2152 1 4 . 1 1 116 116 THR HA H 116 4.225 4.225 4.601 -0.376 25411 2153 1 4 . 1 1 116 116 THR CA C 116 62.109 62.109 60.445 1.664 25411 2154 1 4 . 1 1 116 116 THR CB C 116 69.336 69.336 71.603 -2.267 25411 2155 1 4 . 1 1 116 116 THR H H 116 8.062 8.062 7.170 0.892 25411 2156 1 4 . 1 1 117 117 ASP N N 117 122.602 122.602 122.562 0.040 25411 2157 1 4 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.301 0.267 25411 2158 1 4 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.717 -2.513 25411 2159 1 4 . 1 1 117 117 ASP CB C 117 40.665 40.665 39.795 0.870 25411 2160 1 4 . 1 1 117 117 ASP H H 117 8.065 8.065 8.797 -0.732 25411 2161 1 4 . 1 1 118 118 LEU N N 118 122.140 122.140 119.456 2.684 25411 2162 1 4 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.220 -0.065 25411 2163 1 4 . 1 1 118 118 LEU CA C 118 55.423 55.423 54.137 1.286 25411 2164 1 4 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.247 0.626 25411 2165 1 4 . 1 1 118 118 LEU H H 118 8.085 8.085 7.308 0.777 25411 2166 1 4 . 1 1 119 119 GLU N N 119 119.672 119.672 115.613 4.059 25411 2167 1 4 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.881 0.187 25411 2168 1 4 . 1 1 119 119 GLU CA C 119 56.565 56.565 56.994 -0.429 25411 2169 1 4 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.119 2.454 25411 2170 1 4 . 1 1 119 119 GLU H H 119 8.143 8.143 7.427 0.716 25411 2171 1 4 . 1 1 120 120 HIS N N 120 118.301 118.301 117.611 0.690 25411 2172 1 4 . 1 1 120 120 HIS CA C 120 55.883 55.883 58.188 -2.305 25411 2173 1 4 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.356 -0.086 25411 2174 1 4 . 1 1 120 120 HIS H H 120 8.107 8.107 8.443 -0.336 25411 2175 1 4 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.830 -0.822 25411 2176 1 4 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.977 -0.811 25411 2177 1 4 . 1 1 121 121 HIS CB C 121 28.759 28.759 31.021 -2.262 25411 2178 1 4 . 1 1 122 122 HIS N N 122 122.407 122.407 117.102 5.305 25411 2179 1 4 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.818 -0.600 25411 2180 1 4 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.686 1.395 25411 2181 1 4 . 1 1 122 122 HIS CB C 122 29.371 29.371 32.374 -3.003 25411 2182 1 4 . 1 1 122 122 HIS H H 122 8.489 8.489 8.237 0.252 25411 2183 1 4 . 1 1 123 123 HIS N N 123 122.868 122.868 118.849 4.019 25411 2184 1 4 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.193 0.194 25411 2185 1 4 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.397 -1.087 25411 2186 1 4 . 1 1 123 123 HIS CB C 123 29.502 29.502 28.320 1.182 25411 2187 1 4 . 1 1 123 123 HIS H H 123 8.596 8.596 8.309 0.287 25411 2188 1 4 . 1 1 124 124 HIS N N 124 123.734 123.734 120.744 2.990 25411 2189 1 4 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.837 -0.280 25411 2190 1 4 . 1 1 124 124 HIS CA C 124 55.385 55.385 53.751 1.634 25411 2191 1 4 . 1 1 124 124 HIS CB C 124 29.358 29.358 29.044 0.314 25411 2192 1 4 . 1 1 124 124 HIS H H 124 8.255 8.255 7.873 0.382 25411 2193 1 5 . 1 1 3 3 GLN N N 3 122.360 122.360 120.451 1.909 25411 2194 1 5 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.462 -0.574 25411 2195 1 5 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.527 2.215 25411 2196 1 5 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.673 -0.290 25411 2197 1 5 . 1 1 3 3 GLN H H 3 9.398 9.398 8.489 0.909 25411 2198 1 5 . 1 1 4 4 GLU N N 4 119.689 119.689 119.986 -0.297 25411 2199 1 5 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.201 0.473 25411 2200 1 5 . 1 1 4 4 GLU CA C 4 57.807 57.807 58.125 -0.318 25411 2201 1 5 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.990 -0.290 25411 2202 1 5 . 1 1 4 4 GLU H H 4 7.464 7.464 8.837 -1.373 25411 2203 1 5 . 1 1 5 5 LEU N N 5 114.872 114.872 121.651 -6.779 25411 2204 1 5 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.146 -0.445 25411 2205 1 5 . 1 1 5 5 LEU CA C 5 57.738 57.738 57.993 -0.255 25411 2206 1 5 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.995 -1.180 25411 2207 1 5 . 1 1 5 5 LEU H H 5 8.206 8.206 7.750 0.456 25411 2208 1 5 . 1 1 6 6 SER N N 6 109.762 109.762 113.516 -3.754 25411 2209 1 5 . 1 1 6 6 SER HA H 6 4.092 4.092 4.160 -0.068 25411 2210 1 5 . 1 1 6 6 SER CA C 6 60.415 60.415 61.985 -1.570 25411 2211 1 5 . 1 1 6 6 SER CB C 6 63.391 63.391 62.593 0.798 25411 2212 1 5 . 1 1 6 6 SER H H 6 8.253 8.253 8.307 -0.054 25411 2213 1 5 . 1 1 7 7 GLN N N 7 117.498 117.498 122.304 -4.806 25411 2214 1 5 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.227 -0.272 25411 2215 1 5 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.002 0.423 25411 2216 1 5 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.372 0.367 25411 2217 1 5 . 1 1 7 7 GLN H H 7 8.673 8.673 7.853 0.820 25411 2218 1 5 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.345 -0.548 25411 2219 1 5 . 1 1 8 8 HIS CA C 8 59.055 59.055 60.119 -1.064 25411 2220 1 5 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.198 -1.089 25411 2221 1 5 . 1 1 9 9 GLU N N 9 120.354 120.354 119.709 0.645 25411 2222 1 5 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.513 -0.554 25411 2223 1 5 . 1 1 9 9 GLU CA C 9 60.258 60.258 58.665 1.593 25411 2224 1 5 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.489 -0.262 25411 2225 1 5 . 1 1 9 9 GLU H H 9 7.690 7.690 8.537 -0.847 25411 2226 1 5 . 1 1 10 10 ARG N N 10 118.753 118.753 120.434 -1.681 25411 2227 1 5 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.072 0.027 25411 2228 1 5 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.538 -1.317 25411 2229 1 5 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.158 -1.063 25411 2230 1 5 . 1 1 10 10 ARG H H 10 8.928 8.928 7.959 0.969 25411 2231 1 5 . 1 1 11 11 TYR N N 11 121.288 121.288 119.742 1.546 25411 2232 1 5 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.244 -0.055 25411 2233 1 5 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.138 -0.902 25411 2234 1 5 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.341 -0.480 25411 2235 1 5 . 1 1 11 11 TYR H H 11 7.562 7.562 8.499 -0.937 25411 2236 1 5 . 1 1 12 12 VAL N N 12 119.304 119.304 119.525 -0.221 25411 2237 1 5 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.695 -0.612 25411 2238 1 5 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.572 0.263 25411 2239 1 5 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.480 -0.381 25411 2240 1 5 . 1 1 12 12 VAL H H 12 8.075 8.075 7.731 0.344 25411 2241 1 5 . 1 1 13 13 GLU N N 13 119.685 119.685 120.964 -1.279 25411 2242 1 5 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.054 0.101 25411 2243 1 5 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.381 0.044 25411 2244 1 5 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.151 0.037 25411 2245 1 5 . 1 1 13 13 GLU H H 13 8.278 8.278 8.034 0.244 25411 2246 1 5 . 1 1 14 14 GLN N N 14 119.682 119.682 119.827 -0.145 25411 2247 1 5 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.072 -0.416 25411 2248 1 5 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.709 1.260 25411 2249 1 5 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.257 1.416 25411 2250 1 5 . 1 1 14 14 GLN H H 14 7.653 7.653 8.218 -0.565 25411 2251 1 5 . 1 1 15 15 LEU N N 15 121.000 121.000 119.761 1.239 25411 2252 1 5 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.021 -0.100 25411 2253 1 5 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.725 0.730 25411 2254 1 5 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.080 -0.320 25411 2255 1 5 . 1 1 15 15 LEU H H 15 8.402 8.402 8.654 -0.252 25411 2256 1 5 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.891 -0.195 25411 2257 1 5 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.233 0.024 25411 2258 1 5 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.271 -0.136 25411 2259 1 5 . 1 1 17 17 GLN N N 17 117.558 117.558 118.392 -0.834 25411 2260 1 5 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.093 -0.206 25411 2261 1 5 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.656 -0.214 25411 2262 1 5 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.799 -0.753 25411 2263 1 5 . 1 1 17 17 GLN H H 17 7.849 7.849 7.951 -0.102 25411 2264 1 5 . 1 1 18 18 ALA N N 18 120.288 120.288 123.215 -2.927 25411 2265 1 5 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.194 -0.406 25411 2266 1 5 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.871 0.022 25411 2267 1 5 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.651 -1.256 25411 2268 1 5 . 1 1 18 18 ALA H H 18 8.504 8.504 8.420 0.084 25411 2269 1 5 . 1 1 19 19 LEU N N 19 116.974 116.974 118.253 -1.279 25411 2270 1 5 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.065 -0.306 25411 2271 1 5 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.892 0.660 25411 2272 1 5 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.724 -1.031 25411 2273 1 5 . 1 1 19 19 LEU H H 19 8.143 8.143 8.523 -0.380 25411 2274 1 5 . 1 1 20 20 LYS N N 20 117.776 117.776 121.812 -4.036 25411 2275 1 5 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.040 -0.085 25411 2276 1 5 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.736 -0.192 25411 2277 1 5 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.368 -1.882 25411 2278 1 5 . 1 1 20 20 LYS H H 20 8.340 8.340 7.922 0.418 25411 2279 1 5 . 1 1 21 21 THR N N 21 116.373 116.373 112.083 4.290 25411 2280 1 5 . 1 1 21 21 THR HA H 21 4.107 4.107 4.236 -0.129 25411 2281 1 5 . 1 1 21 21 THR CA C 21 64.611 64.611 64.479 0.132 25411 2282 1 5 . 1 1 21 21 THR CB C 21 68.811 68.811 68.427 0.384 25411 2283 1 5 . 1 1 21 21 THR H H 21 7.302 7.302 7.976 -0.674 25411 2284 1 5 . 1 1 22 22 ARG N N 22 118.647 118.647 119.276 -0.629 25411 2285 1 5 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.469 -0.107 25411 2286 1 5 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.764 -1.699 25411 2287 1 5 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.040 -1.512 25411 2288 1 5 . 1 1 22 22 ARG H H 22 7.290 7.290 7.490 -0.200 25411 2289 1 5 . 1 1 23 23 GLY N N 23 108.637 108.637 108.323 0.314 25411 2290 1 5 . 1 1 23 23 GLY CA C 23 46.112 46.112 46.263 -0.151 25411 2291 1 5 . 1 1 23 23 GLY H H 23 7.881 7.881 7.598 0.283 25411 2292 1 5 . 1 1 24 24 VAL N N 24 117.390 117.390 119.759 -2.369 25411 2293 1 5 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.752 0.262 25411 2294 1 5 . 1 1 24 24 VAL CA C 24 61.668 61.668 65.316 -3.648 25411 2295 1 5 . 1 1 24 24 VAL CB C 24 32.372 32.372 32.040 0.332 25411 2296 1 5 . 1 1 24 24 VAL H H 24 7.333 7.333 7.630 -0.297 25411 2297 1 5 . 1 1 25 25 LYS N N 25 127.322 127.322 113.751 13.571 25411 2298 1 5 . 1 1 25 25 LYS HA H 25 4.332 4.332 4.259 0.073 25411 2299 1 5 . 1 1 25 25 LYS CA C 25 55.762 55.762 55.935 -0.173 25411 2300 1 5 . 1 1 25 25 LYS CB C 25 31.761 31.761 32.454 -0.693 25411 2301 1 5 . 1 1 25 25 LYS H H 25 8.722 8.722 7.620 1.102 25411 2302 1 5 . 1 1 26 26 VAL N N 26 120.568 120.568 119.370 1.198 25411 2303 1 5 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.351 -0.273 25411 2304 1 5 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.593 -0.928 25411 2305 1 5 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.925 -0.278 25411 2306 1 5 . 1 1 26 26 VAL H H 26 7.119 7.119 8.285 -1.166 25411 2307 1 5 . 1 1 27 27 LYS N N 27 125.675 125.675 127.830 -2.155 25411 2308 1 5 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.346 -0.020 25411 2309 1 5 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.348 0.063 25411 2310 1 5 . 1 1 27 27 LYS CB C 27 31.959 31.959 35.044 -3.085 25411 2311 1 5 . 1 1 27 27 LYS H H 27 8.570 8.570 8.072 0.498 25411 2312 1 5 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.486 -0.469 25411 2313 1 5 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.829 -2.417 25411 2314 1 5 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.797 2.043 25411 2315 1 5 . 1 1 29 29 ALA N N 29 120.743 120.743 127.677 -6.934 25411 2316 1 5 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.156 -0.488 25411 2317 1 5 . 1 1 29 29 ALA CA C 29 54.678 54.678 54.882 -0.203 25411 2318 1 5 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.062 -1.062 25411 2319 1 5 . 1 1 29 29 ALA H H 29 8.323 8.323 8.750 -0.427 25411 2320 1 5 . 1 1 30 30 ASP N N 30 117.202 117.202 118.878 -1.676 25411 2321 1 5 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.624 -0.343 25411 2322 1 5 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.414 0.139 25411 2323 1 5 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.382 0.425 25411 2324 1 5 . 1 1 30 30 ASP H H 30 6.872 6.872 8.901 -2.029 25411 2325 1 5 . 1 1 31 31 LEU N N 31 122.273 122.273 119.201 3.072 25411 2326 1 5 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.379 -0.833 25411 2327 1 5 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.539 0.186 25411 2328 1 5 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.251 -1.593 25411 2329 1 5 . 1 1 31 31 LEU H H 31 7.433 7.433 7.645 -0.212 25411 2330 1 5 . 1 1 32 32 LEU N N 32 123.376 123.376 119.224 4.152 25411 2331 1 5 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.239 -0.624 25411 2332 1 5 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.242 -0.146 25411 2333 1 5 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.468 -0.926 25411 2334 1 5 . 1 1 32 32 LEU H H 32 8.727 8.727 7.948 0.779 25411 2335 1 5 . 1 1 33 33 LYS N N 33 118.078 118.078 120.433 -2.355 25411 2336 1 5 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.549 -0.336 25411 2337 1 5 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.298 -0.200 25411 2338 1 5 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.154 -0.264 25411 2339 1 5 . 1 1 33 33 LYS H H 33 7.149 7.149 7.629 -0.480 25411 2340 1 5 . 1 1 34 34 PHE N N 34 117.398 117.398 120.091 -2.693 25411 2341 1 5 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.640 -4.945 25411 2342 1 5 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.030 2.189 25411 2343 1 5 . 1 1 34 34 PHE H H 34 7.633 7.633 8.530 -0.897 25411 2344 1 5 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.091 -0.298 25411 2345 1 5 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.980 -0.388 25411 2346 1 5 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.448 -2.434 25411 2347 1 5 . 1 1 36 36 ASP N N 36 120.136 120.136 119.355 0.781 25411 2348 1 5 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.503 -0.407 25411 2349 1 5 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.323 -0.382 25411 2350 1 5 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.820 -1.716 25411 2351 1 5 . 1 1 36 36 ASP H H 36 8.330 8.330 8.952 -0.622 25411 2352 1 5 . 1 1 37 37 PHE N N 37 121.883 121.883 121.405 0.478 25411 2353 1 5 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.428 -0.170 25411 2354 1 5 . 1 1 37 37 PHE CA C 37 59.698 59.698 60.219 -0.521 25411 2355 1 5 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.170 1.015 25411 2356 1 5 . 1 1 37 37 PHE H H 37 7.794 7.794 8.146 -0.352 25411 2357 1 5 . 1 1 38 38 VAL N N 38 118.525 118.525 118.998 -0.473 25411 2358 1 5 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.356 -0.317 25411 2359 1 5 . 1 1 38 38 VAL CA C 38 66.882 66.882 65.972 0.910 25411 2360 1 5 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.594 -0.906 25411 2361 1 5 . 1 1 38 38 VAL H H 38 8.262 8.262 7.795 0.467 25411 2362 1 5 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.903 -0.447 25411 2363 1 5 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.191 -0.137 25411 2364 1 5 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.954 -0.258 25411 2365 1 5 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.567 -0.122 25411 2366 1 5 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.768 0.217 25411 2367 1 5 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.639 -0.947 25411 2368 1 5 . 1 1 41 41 ILE N N 41 120.641 120.641 120.164 0.477 25411 2369 1 5 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.949 0.076 25411 2370 1 5 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.532 -2.881 25411 2371 1 5 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.798 -0.734 25411 2372 1 5 . 1 1 41 41 ILE H H 41 8.788 8.788 7.971 0.817 25411 2373 1 5 . 1 1 42 42 CYS N N 42 117.896 117.896 116.379 1.517 25411 2374 1 5 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.894 0.278 25411 2375 1 5 . 1 1 42 42 CYS CB C 42 28.324 28.324 28.103 0.221 25411 2376 1 5 . 1 1 42 42 CYS H H 42 7.180 7.180 7.448 -0.268 25411 2377 1 5 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.092 0.223 25411 2378 1 5 . 1 1 43 43 PRO CA C 43 65.003 65.003 63.481 1.522 25411 2379 1 5 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.522 -0.807 25411 2380 1 5 . 1 1 44 44 TRP N N 44 113.823 113.823 116.260 -2.437 25411 2381 1 5 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.367 -0.062 25411 2382 1 5 . 1 1 44 44 TRP CA C 44 55.398 55.398 56.930 -1.532 25411 2383 1 5 . 1 1 44 44 TRP CB C 44 27.811 27.811 28.789 -0.978 25411 2384 1 5 . 1 1 44 44 TRP H H 44 6.591 6.591 7.181 -0.590 25411 2385 1 5 . 1 1 45 45 PHE N N 45 123.100 123.100 115.890 7.210 25411 2386 1 5 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.002 -1.001 25411 2387 1 5 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.464 8.345 25411 2388 1 5 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.292 -3.357 25411 2389 1 5 . 1 1 45 45 PHE H H 45 7.239 7.239 7.412 -0.173 25411 2390 1 5 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.198 -0.186 25411 2391 1 5 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.580 -0.049 25411 2392 1 5 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.643 -1.156 25411 2393 1 5 . 1 1 47 47 GLN N N 47 114.502 114.502 116.870 -2.368 25411 2394 1 5 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.085 -0.148 25411 2395 1 5 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.057 0.347 25411 2396 1 5 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.518 0.802 25411 2397 1 5 . 1 1 47 47 GLN H H 47 6.518 6.518 8.537 -2.019 25411 2398 1 5 . 1 1 48 48 GLU N N 48 117.358 117.358 118.819 -1.461 25411 2399 1 5 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.192 -0.154 25411 2400 1 5 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.678 1.494 25411 2401 1 5 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.064 -1.111 25411 2402 1 5 . 1 1 48 48 GLU H H 48 7.318 7.318 7.785 -0.467 25411 2403 1 5 . 1 1 49 49 GLY N N 49 105.534 105.534 107.770 -2.236 25411 2404 1 5 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.655 1.648 25411 2405 1 5 . 1 1 49 49 GLY H H 49 7.296 7.296 7.671 -0.375 25411 2406 1 5 . 1 1 50 50 THR N N 50 114.069 114.069 112.891 1.178 25411 2407 1 5 . 1 1 50 50 THR HA H 50 4.234 4.234 4.203 0.031 25411 2408 1 5 . 1 1 50 50 THR CA C 50 61.683 61.683 60.917 0.766 25411 2409 1 5 . 1 1 50 50 THR CB C 50 70.718 70.718 70.415 0.303 25411 2410 1 5 . 1 1 50 50 THR H H 50 7.597 7.597 7.642 -0.045 25411 2411 1 5 . 1 1 51 51 ILE HA H 51 4.125 4.125 3.836 0.289 25411 2412 1 5 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.765 -1.895 25411 2413 1 5 . 1 1 51 51 ILE CB C 51 35.288 35.288 38.771 -3.483 25411 2414 1 5 . 1 1 52 52 ASP N N 52 121.791 121.791 125.888 -4.097 25411 2415 1 5 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.760 -0.137 25411 2416 1 5 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.529 -0.797 25411 2417 1 5 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.156 -1.695 25411 2418 1 5 . 1 1 52 52 ASP H H 52 7.168 7.168 8.064 -0.896 25411 2419 1 5 . 1 1 53 53 ILE N N 53 119.537 119.537 119.360 0.177 25411 2420 1 5 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.608 -0.473 25411 2421 1 5 . 1 1 53 53 ILE CA C 53 61.796 61.796 61.780 0.016 25411 2422 1 5 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.809 -1.994 25411 2423 1 5 . 1 1 53 53 ILE H H 53 8.336 8.336 8.383 -0.047 25411 2424 1 5 . 1 1 54 54 LYS N N 54 123.592 123.592 122.017 1.575 25411 2425 1 5 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.072 0.033 25411 2426 1 5 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.097 -0.125 25411 2427 1 5 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.310 -0.562 25411 2428 1 5 . 1 1 54 54 LYS H H 54 8.104 8.104 7.908 0.196 25411 2429 1 5 . 1 1 55 55 ARG N N 55 120.511 120.511 118.649 1.862 25411 2430 1 5 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.151 0.150 25411 2431 1 5 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.446 0.457 25411 2432 1 5 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.342 -0.286 25411 2433 1 5 . 1 1 55 55 ARG H H 55 9.196 9.196 8.993 0.203 25411 2434 1 5 . 1 1 56 56 TRP N N 56 120.681 120.681 122.164 -1.483 25411 2435 1 5 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.637 0.066 25411 2436 1 5 . 1 1 56 56 TRP CA C 56 59.406 59.406 59.656 -0.250 25411 2437 1 5 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.041 0.973 25411 2438 1 5 . 1 1 56 56 TRP H H 56 8.899 8.899 7.818 1.081 25411 2439 1 5 . 1 1 57 57 ARG N N 57 122.115 122.115 119.964 2.151 25411 2440 1 5 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.363 1.044 25411 2441 1 5 . 1 1 57 57 ARG CA C 57 60.027 60.027 58.399 1.628 25411 2442 1 5 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.390 0.396 25411 2443 1 5 . 1 1 57 57 ARG H H 57 9.210 9.210 8.140 1.070 25411 2444 1 5 . 1 1 58 58 ARG N N 58 120.918 120.918 119.217 1.701 25411 2445 1 5 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.549 0.296 25411 2446 1 5 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.006 -0.277 25411 2447 1 5 . 1 1 58 58 ARG H H 58 7.640 7.640 7.691 -0.051 25411 2448 1 5 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.704 0.060 25411 2449 1 5 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.883 0.117 25411 2450 1 5 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.480 -0.648 25411 2451 1 5 . 1 1 59 59 VAL H H 59 7.916 7.916 7.618 0.298 25411 2452 1 5 . 1 1 60 60 GLY N N 60 106.856 106.856 107.528 -0.672 25411 2453 1 5 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.298 -1.217 25411 2454 1 5 . 1 1 60 60 GLY H H 60 7.623 7.623 8.325 -0.702 25411 2455 1 5 . 1 1 61 61 ASP N N 61 123.308 123.308 122.196 1.112 25411 2456 1 5 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.474 -0.249 25411 2457 1 5 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.254 -0.454 25411 2458 1 5 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.772 -1.288 25411 2459 1 5 . 1 1 61 61 ASP H H 61 8.203 8.203 8.051 0.152 25411 2460 1 5 . 1 1 62 62 CYS N N 62 120.841 120.841 118.534 2.307 25411 2461 1 5 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.003 0.235 25411 2462 1 5 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.103 -1.153 25411 2463 1 5 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.713 -0.210 25411 2464 1 5 . 1 1 62 62 CYS H H 62 7.795 7.795 7.562 0.233 25411 2465 1 5 . 1 1 63 63 PHE N N 63 119.763 119.763 118.723 1.040 25411 2466 1 5 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.277 0.001 25411 2467 1 5 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.379 -2.722 25411 2468 1 5 . 1 1 63 63 PHE CB C 63 36.990 36.990 38.187 -1.197 25411 2469 1 5 . 1 1 63 63 PHE H H 63 8.647 8.647 7.632 1.015 25411 2470 1 5 . 1 1 64 64 GLN N N 64 118.578 118.578 119.836 -1.258 25411 2471 1 5 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.173 0.135 25411 2472 1 5 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.828 0.505 25411 2473 1 5 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.477 0.102 25411 2474 1 5 . 1 1 64 64 GLN H H 64 8.261 8.261 8.459 -0.198 25411 2475 1 5 . 1 1 65 65 ASP N N 65 119.534 119.534 121.129 -1.595 25411 2476 1 5 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.440 0.044 25411 2477 1 5 . 1 1 65 65 ASP CA C 65 57.329 57.329 56.942 0.387 25411 2478 1 5 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.916 -1.245 25411 2479 1 5 . 1 1 65 65 ASP H H 65 8.338 8.338 8.386 -0.048 25411 2480 1 5 . 1 1 66 66 TYR N N 66 123.600 123.600 122.211 1.389 25411 2481 1 5 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.967 0.535 25411 2482 1 5 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.248 -1.018 25411 2483 1 5 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.556 -0.123 25411 2484 1 5 . 1 1 66 66 TYR H H 66 7.804 7.804 8.511 -0.707 25411 2485 1 5 . 1 1 67 67 TYR N N 67 122.825 122.825 118.079 4.746 25411 2486 1 5 . 1 1 67 67 TYR HA H 67 3.997 3.997 4.221 -0.224 25411 2487 1 5 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.344 0.558 25411 2488 1 5 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.560 0.386 25411 2489 1 5 . 1 1 67 67 TYR H H 67 9.100 9.100 8.132 0.968 25411 2490 1 5 . 1 1 68 68 ASN N N 68 118.826 118.826 116.871 1.955 25411 2491 1 5 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.298 -0.015 25411 2492 1 5 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.958 -0.526 25411 2493 1 5 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.278 -0.402 25411 2494 1 5 . 1 1 68 68 ASN H H 68 8.853 8.853 8.583 0.270 25411 2495 1 5 . 1 1 69 69 THR N N 69 114.242 114.242 115.842 -1.600 25411 2496 1 5 . 1 1 69 69 THR HA H 69 3.837 3.837 4.048 -0.211 25411 2497 1 5 . 1 1 69 69 THR CA C 69 65.328 65.328 65.563 -0.235 25411 2498 1 5 . 1 1 69 69 THR CB C 69 69.249 69.249 68.123 1.126 25411 2499 1 5 . 1 1 69 69 THR H H 69 7.847 7.847 8.113 -0.266 25411 2500 1 5 . 1 1 70 70 PHE N N 70 117.970 117.970 118.135 -0.165 25411 2501 1 5 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.408 0.156 25411 2502 1 5 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.187 0.055 25411 2503 1 5 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.543 2.531 25411 2504 1 5 . 1 1 70 70 PHE H H 70 8.489 8.489 7.218 1.271 25411 2505 1 5 . 1 1 71 71 GLY N N 71 109.516 109.516 108.334 1.182 25411 2506 1 5 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.785 0.247 25411 2507 1 5 . 1 1 71 71 GLY H H 71 7.968 7.968 7.548 0.420 25411 2508 1 5 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.401 0.310 25411 2509 1 5 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.313 0.984 25411 2510 1 5 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.710 0.033 25411 2511 1 5 . 1 1 73 73 GLU N N 73 117.720 117.720 126.454 -8.734 25411 2512 1 5 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.040 -0.141 25411 2513 1 5 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.714 0.022 25411 2514 1 5 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.551 -0.688 25411 2515 1 5 . 1 1 73 73 GLU H H 73 8.586 8.586 8.755 -0.169 25411 2516 1 5 . 1 1 74 74 LYS N N 74 116.974 116.974 118.767 -1.793 25411 2517 1 5 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.435 -0.046 25411 2518 1 5 . 1 1 74 74 LYS CA C 74 55.185 55.185 54.739 0.446 25411 2519 1 5 . 1 1 74 74 LYS CB C 74 34.087 34.087 30.880 3.207 25411 2520 1 5 . 1 1 74 74 LYS H H 74 7.505 7.505 8.086 -0.581 25411 2521 1 5 . 1 1 75 75 VAL N N 75 117.309 117.309 123.491 -6.182 25411 2522 1 5 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.217 0.096 25411 2523 1 5 . 1 1 75 75 VAL CA C 75 62.045 62.045 61.369 0.676 25411 2524 1 5 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.353 -0.369 25411 2525 1 5 . 1 1 75 75 VAL H H 75 7.402 7.402 7.378 0.024 25411 2526 1 5 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.536 0.026 25411 2527 1 5 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.822 -1.135 25411 2528 1 5 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.653 -0.922 25411 2529 1 5 . 1 1 77 77 VAL N N 77 120.870 120.870 121.274 -0.404 25411 2530 1 5 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.160 -0.332 25411 2531 1 5 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.205 1.633 25411 2532 1 5 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.979 -0.592 25411 2533 1 5 . 1 1 77 77 VAL H H 77 8.473 8.473 8.727 -0.254 25411 2534 1 5 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.848 0.004 25411 2535 1 5 . 1 1 78 78 ILE CA C 78 61.125 61.125 63.925 -2.800 25411 2536 1 5 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.790 0.345 25411 2537 1 5 . 1 1 78 78 ILE H H 78 8.388 8.388 8.077 0.311 25411 2538 1 5 . 1 1 79 79 ALA N N 79 123.960 123.960 123.642 0.318 25411 2539 1 5 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.028 -0.138 25411 2540 1 5 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.521 0.368 25411 2541 1 5 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.461 -0.838 25411 2542 1 5 . 1 1 79 79 ALA H H 79 7.953 7.953 8.028 -0.075 25411 2543 1 5 . 1 1 80 80 PHE N N 80 114.330 114.330 116.121 -1.791 25411 2544 1 5 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.350 0.081 25411 2545 1 5 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.978 1.334 25411 2546 1 5 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.092 -1.436 25411 2547 1 5 . 1 1 80 80 PHE H H 80 7.499 7.499 8.238 -0.739 25411 2548 1 5 . 1 1 81 81 SER N N 81 115.971 115.971 113.837 2.134 25411 2549 1 5 . 1 1 81 81 SER HA H 81 4.206 4.206 4.355 -0.149 25411 2550 1 5 . 1 1 81 81 SER CA C 81 58.432 58.432 59.574 -1.142 25411 2551 1 5 . 1 1 81 81 SER CB C 81 63.575 63.575 63.452 0.124 25411 2552 1 5 . 1 1 81 81 SER H H 81 8.225 8.225 7.478 0.747 25411 2553 1 5 . 1 1 82 82 TYR N N 82 121.997 121.997 123.655 -1.658 25411 2554 1 5 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.287 0.160 25411 2555 1 5 . 1 1 82 82 TYR CA C 82 55.885 55.885 59.453 -3.568 25411 2556 1 5 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.618 -0.780 25411 2557 1 5 . 1 1 82 82 TYR H H 82 8.378 8.378 7.543 0.835 25411 2558 1 5 . 1 1 83 83 TRP N N 83 120.268 120.268 118.819 1.449 25411 2559 1 5 . 1 1 83 83 TRP CA C 83 57.393 57.393 59.256 -1.863 25411 2560 1 5 . 1 1 83 83 TRP CB C 83 28.894 28.894 28.672 0.223 25411 2561 1 5 . 1 1 83 83 TRP H H 83 8.546 8.546 8.733 -0.187 25411 2562 1 5 . 1 1 84 84 ASN HA H 84 4.220 4.220 3.932 0.288 25411 2563 1 5 . 1 1 84 84 ASN CA C 84 56.629 56.629 55.942 0.687 25411 2564 1 5 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.606 1.458 25411 2565 1 5 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.344 -0.298 25411 2566 1 5 . 1 1 85 85 LEU CA C 85 58.142 58.142 56.913 1.229 25411 2567 1 5 . 1 1 85 85 LEU CB C 85 41.692 41.692 42.016 -0.324 25411 2568 1 5 . 1 1 86 86 ILE N N 86 117.000 117.000 120.236 -3.236 25411 2569 1 5 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.514 -0.068 25411 2570 1 5 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.843 -2.560 25411 2571 1 5 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.182 -1.770 25411 2572 1 5 . 1 1 86 86 ILE H H 86 7.882 7.882 7.765 0.117 25411 2573 1 5 . 1 1 87 87 LYS HA H 87 3.226 3.226 4.150 -0.924 25411 2574 1 5 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.434 0.562 25411 2575 1 5 . 1 1 87 87 LYS CB C 87 31.050 31.050 32.576 -1.526 25411 2576 1 5 . 1 1 88 88 GLU N N 88 116.404 116.404 118.429 -2.025 25411 2577 1 5 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.247 -0.400 25411 2578 1 5 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.191 0.720 25411 2579 1 5 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.663 -0.694 25411 2580 1 5 . 1 1 88 88 GLU H H 88 7.689 7.689 7.752 -0.063 25411 2581 1 5 . 1 1 89 89 LEU N N 89 118.193 118.193 122.404 -4.211 25411 2582 1 5 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.116 -0.227 25411 2583 1 5 . 1 1 89 89 LEU CA C 89 57.963 57.963 57.315 0.648 25411 2584 1 5 . 1 1 89 89 LEU CB C 89 41.300 41.300 41.934 -0.634 25411 2585 1 5 . 1 1 89 89 LEU H H 89 7.415 7.415 8.079 -0.664 25411 2586 1 5 . 1 1 90 90 ILE N N 90 115.471 115.471 120.552 -5.081 25411 2587 1 5 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.599 -0.181 25411 2588 1 5 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.244 0.664 25411 2589 1 5 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.592 0.002 25411 2590 1 5 . 1 1 90 90 ILE H H 90 7.718 7.718 7.709 0.009 25411 2591 1 5 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.382 -0.662 25411 2592 1 5 . 1 1 91 91 ASP CA C 91 57.664 57.664 57.314 0.350 25411 2593 1 5 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.781 -0.248 25411 2594 1 5 . 1 1 92 92 LYS N N 92 119.253 119.253 118.315 0.938 25411 2595 1 5 . 1 1 92 92 LYS CA C 92 58.897 58.897 56.307 2.590 25411 2596 1 5 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.023 -0.035 25411 2597 1 5 . 1 1 92 92 LYS H H 92 7.869 7.869 7.902 -0.033 25411 2598 1 5 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.038 0.493 25411 2599 1 5 . 1 1 93 93 LYS CA C 93 55.258 55.258 59.162 -3.904 25411 2600 1 5 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.862 0.307 25411 2601 1 5 . 1 1 94 94 GLU N N 94 116.729 116.729 120.742 -4.013 25411 2602 1 5 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.077 0.056 25411 2603 1 5 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.180 0.139 25411 2604 1 5 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.316 -1.941 25411 2605 1 5 . 1 1 94 94 GLU H H 94 8.393 8.393 7.656 0.737 25411 2606 1 5 . 1 1 95 95 VAL N N 95 121.696 121.696 116.978 4.718 25411 2607 1 5 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.875 0.607 25411 2608 1 5 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.634 3.087 25411 2609 1 5 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.405 1.489 25411 2610 1 5 . 1 1 95 95 VAL H H 95 7.923 7.923 7.872 0.051 25411 2611 1 5 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.849 -0.491 25411 2612 1 5 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.433 0.174 25411 2613 1 5 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.653 -0.779 25411 2614 1 5 . 1 1 98 98 GLN N N 98 117.731 117.731 118.879 -1.148 25411 2615 1 5 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.102 -0.177 25411 2616 1 5 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.280 0.328 25411 2617 1 5 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.919 0.602 25411 2618 1 5 . 1 1 98 98 GLN H H 98 8.359 8.359 8.439 -0.080 25411 2619 1 5 . 1 1 99 99 VAL N N 99 121.326 121.326 118.116 3.210 25411 2620 1 5 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.765 -0.345 25411 2621 1 5 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.808 0.596 25411 2622 1 5 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.065 0.554 25411 2623 1 5 . 1 1 99 99 VAL H H 99 7.901 7.901 8.328 -0.427 25411 2624 1 5 . 1 1 100 100 MET N N 100 120.447 120.447 115.755 4.692 25411 2625 1 5 . 1 1 100 100 MET HA H 100 3.812 3.812 4.258 -0.446 25411 2626 1 5 . 1 1 100 100 MET CA C 100 59.297 59.297 57.936 1.361 25411 2627 1 5 . 1 1 100 100 MET CB C 100 32.099 32.099 33.069 -0.970 25411 2628 1 5 . 1 1 100 100 MET H H 100 7.509 7.509 7.585 -0.076 25411 2629 1 5 . 1 1 101 101 ALA N N 101 119.458 119.458 121.159 -1.701 25411 2630 1 5 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.264 -0.054 25411 2631 1 5 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.364 0.388 25411 2632 1 5 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.628 -1.107 25411 2633 1 5 . 1 1 101 101 ALA H H 101 7.889 7.889 7.590 0.299 25411 2634 1 5 . 1 1 102 102 ALA N N 102 119.627 119.627 121.070 -1.443 25411 2635 1 5 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.190 -0.197 25411 2636 1 5 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.236 0.652 25411 2637 1 5 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.577 -1.233 25411 2638 1 5 . 1 1 102 102 ALA H H 102 7.563 7.563 8.286 -0.723 25411 2639 1 5 . 1 1 103 103 VAL N N 103 122.690 122.690 118.917 3.773 25411 2640 1 5 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.880 0.193 25411 2641 1 5 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.468 -3.783 25411 2642 1 5 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.522 1.700 25411 2643 1 5 . 1 1 103 103 VAL H H 103 8.828 8.828 7.913 0.915 25411 2644 1 5 . 1 1 104 104 ALA N N 104 128.041 128.041 120.644 7.397 25411 2645 1 5 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.036 0.233 25411 2646 1 5 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.910 -2.769 25411 2647 1 5 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.381 0.559 25411 2648 1 5 . 1 1 104 104 ALA H H 104 8.367 8.367 7.514 0.853 25411 2649 1 5 . 1 1 105 105 GLN N N 105 120.265 120.265 115.805 4.460 25411 2650 1 5 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.646 -0.715 25411 2651 1 5 . 1 1 105 105 GLN CB C 105 29.020 29.020 29.606 -0.586 25411 2652 1 5 . 1 1 105 105 GLN H H 105 8.356 8.356 7.689 0.667 25411 2653 1 5 . 1 1 106 106 THR HA H 106 4.320 4.320 4.253 0.067 25411 2654 1 5 . 1 1 106 106 THR CA C 106 61.346 61.346 64.287 -2.941 25411 2655 1 5 . 1 1 106 106 THR CB C 106 69.293 69.293 68.971 0.322 25411 2656 1 5 . 1 1 107 107 GLU N N 107 122.706 122.706 121.172 1.534 25411 2657 1 5 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.267 -0.085 25411 2658 1 5 . 1 1 107 107 GLU CA C 107 56.576 56.576 58.348 -1.772 25411 2659 1 5 . 1 1 107 107 GLU CB C 107 29.936 29.936 30.491 -0.555 25411 2660 1 5 . 1 1 107 107 GLU H H 107 8.404 8.404 7.876 0.528 25411 2661 1 5 . 1 1 108 108 GLU N N 108 122.034 122.034 116.763 5.271 25411 2662 1 5 . 1 1 108 108 GLU HA H 108 4.161 4.161 3.953 0.208 25411 2663 1 5 . 1 1 108 108 GLU CA C 108 56.649 56.649 58.538 -1.889 25411 2664 1 5 . 1 1 108 108 GLU CB C 108 29.676 29.676 28.713 0.963 25411 2665 1 5 . 1 1 108 108 GLU H H 108 7.341 7.341 7.728 -0.387 25411 2666 1 5 . 1 1 109 109 ILE N N 109 122.151 122.151 122.422 -0.271 25411 2667 1 5 . 1 1 109 109 ILE HA H 109 4.047 4.047 3.725 0.322 25411 2668 1 5 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.420 -0.855 25411 2669 1 5 . 1 1 109 109 ILE CB C 109 38.104 38.104 37.126 0.978 25411 2670 1 5 . 1 1 109 109 ILE H H 109 8.058 8.058 8.339 -0.281 25411 2671 1 5 . 1 1 110 110 LEU N N 110 122.427 122.427 113.646 8.781 25411 2672 1 5 . 1 1 110 110 LEU HA H 110 4.276 4.276 3.792 0.484 25411 2673 1 5 . 1 1 110 110 LEU CA C 110 55.151 55.151 55.963 -0.812 25411 2674 1 5 . 1 1 110 110 LEU CB C 110 32.255 32.255 39.695 -7.440 25411 2675 1 5 . 1 1 110 110 LEU H H 110 8.194 8.194 8.017 0.177 25411 2676 1 5 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.321 -0.074 25411 2677 1 5 . 1 1 111 111 LYS CA C 111 56.137 56.137 57.610 -1.473 25411 2678 1 5 . 1 1 111 111 LYS CB C 111 32.569 32.569 33.722 -1.153 25411 2679 1 5 . 1 1 112 112 SER N N 112 116.453 116.453 115.709 0.744 25411 2680 1 5 . 1 1 112 112 SER HA H 112 4.175 4.175 4.147 0.028 25411 2681 1 5 . 1 1 112 112 SER CA C 112 58.311 58.311 59.525 -1.214 25411 2682 1 5 . 1 1 112 112 SER CB C 112 63.441 63.441 62.015 1.426 25411 2683 1 5 . 1 1 112 112 SER H H 112 8.204 8.204 8.018 0.186 25411 2684 1 5 . 1 1 113 113 ASN N N 113 119.747 119.747 114.315 5.432 25411 2685 1 5 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.369 0.275 25411 2686 1 5 . 1 1 113 113 ASN CA C 113 53.645 53.645 54.555 -0.910 25411 2687 1 5 . 1 1 113 113 ASN CB C 113 38.646 38.646 38.166 0.480 25411 2688 1 5 . 1 1 113 113 ASN H H 113 7.944 7.944 8.861 -0.917 25411 2689 1 5 . 1 1 114 114 SER N N 114 115.433 115.433 115.205 0.228 25411 2690 1 5 . 1 1 114 114 SER HA H 114 4.336 4.336 4.374 -0.038 25411 2691 1 5 . 1 1 114 114 SER CA C 114 58.711 58.711 56.968 1.743 25411 2692 1 5 . 1 1 114 114 SER CB C 114 63.308 63.308 62.080 1.228 25411 2693 1 5 . 1 1 114 114 SER H H 114 7.962 7.962 8.085 -0.123 25411 2694 1 5 . 1 1 115 115 GLN N N 115 121.682 121.682 117.769 3.913 25411 2695 1 5 . 1 1 115 115 GLN HA H 115 4.274 4.274 3.821 0.453 25411 2696 1 5 . 1 1 115 115 GLN CA C 115 56.193 56.193 58.773 -2.580 25411 2697 1 5 . 1 1 115 115 GLN CB C 115 28.807 28.807 27.685 1.122 25411 2698 1 5 . 1 1 115 115 GLN H H 115 8.207 8.207 7.765 0.442 25411 2699 1 5 . 1 1 116 116 THR N N 116 114.715 114.715 108.667 6.048 25411 2700 1 5 . 1 1 116 116 THR HA H 116 4.225 4.225 4.583 -0.358 25411 2701 1 5 . 1 1 116 116 THR CA C 116 62.109 62.109 59.678 2.430 25411 2702 1 5 . 1 1 116 116 THR CB C 116 69.336 69.336 71.838 -2.502 25411 2703 1 5 . 1 1 116 116 THR H H 116 8.062 8.062 7.832 0.230 25411 2704 1 5 . 1 1 117 117 ASP N N 117 122.602 122.602 121.659 0.943 25411 2705 1 5 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.489 0.079 25411 2706 1 5 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.301 -2.098 25411 2707 1 5 . 1 1 117 117 ASP CB C 117 40.665 40.665 39.701 0.964 25411 2708 1 5 . 1 1 117 117 ASP H H 117 8.065 8.065 8.739 -0.674 25411 2709 1 5 . 1 1 118 118 LEU N N 118 122.140 122.140 119.218 2.922 25411 2710 1 5 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.243 -0.088 25411 2711 1 5 . 1 1 118 118 LEU CA C 118 55.423 55.423 55.014 0.409 25411 2712 1 5 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.530 0.343 25411 2713 1 5 . 1 1 118 118 LEU H H 118 8.085 8.085 7.490 0.595 25411 2714 1 5 . 1 1 119 119 GLU N N 119 119.672 119.672 114.553 5.119 25411 2715 1 5 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.084 -0.016 25411 2716 1 5 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.739 -1.174 25411 2717 1 5 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.547 2.025 25411 2718 1 5 . 1 1 119 119 GLU H H 119 8.143 8.143 7.661 0.482 25411 2719 1 5 . 1 1 120 120 HIS N N 120 118.301 118.301 116.697 1.604 25411 2720 1 5 . 1 1 120 120 HIS CA C 120 55.883 55.883 58.016 -2.133 25411 2721 1 5 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.508 -0.238 25411 2722 1 5 . 1 1 120 120 HIS H H 120 8.107 8.107 8.598 -0.491 25411 2723 1 5 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.646 -0.638 25411 2724 1 5 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.938 -0.772 25411 2725 1 5 . 1 1 121 121 HIS CB C 121 28.759 28.759 30.084 -1.325 25411 2726 1 5 . 1 1 122 122 HIS N N 122 122.407 122.407 117.418 4.989 25411 2727 1 5 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.784 -0.566 25411 2728 1 5 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.930 1.151 25411 2729 1 5 . 1 1 122 122 HIS CB C 122 29.371 29.371 32.792 -3.421 25411 2730 1 5 . 1 1 122 122 HIS H H 122 8.489 8.489 7.981 0.508 25411 2731 1 5 . 1 1 123 123 HIS N N 123 122.868 122.868 118.816 4.052 25411 2732 1 5 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.253 0.134 25411 2733 1 5 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.599 -1.288 25411 2734 1 5 . 1 1 123 123 HIS CB C 123 29.502 29.502 28.580 0.922 25411 2735 1 5 . 1 1 123 123 HIS H H 123 8.596 8.596 8.173 0.423 25411 2736 1 5 . 1 1 124 124 HIS N N 124 123.734 123.734 121.672 2.062 25411 2737 1 5 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.852 -0.295 25411 2738 1 5 . 1 1 124 124 HIS CA C 124 55.385 55.385 53.928 1.457 25411 2739 1 5 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.640 0.718 25411 2740 1 5 . 1 1 124 124 HIS H H 124 8.255 8.255 8.089 0.166 25411 2741 1 6 . 1 1 3 3 GLN N N 3 122.360 122.360 120.498 1.862 25411 2742 1 6 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.437 -0.549 25411 2743 1 6 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.794 1.948 25411 2744 1 6 . 1 1 3 3 GLN CB C 3 28.383 28.383 29.129 -0.746 25411 2745 1 6 . 1 1 3 3 GLN H H 3 9.398 9.398 8.191 1.207 25411 2746 1 6 . 1 1 4 4 GLU N N 4 119.689 119.689 120.757 -1.068 25411 2747 1 6 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.188 0.486 25411 2748 1 6 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.945 -0.138 25411 2749 1 6 . 1 1 4 4 GLU CB C 4 28.700 28.700 29.172 -0.472 25411 2750 1 6 . 1 1 4 4 GLU H H 4 7.464 7.464 8.886 -1.422 25411 2751 1 6 . 1 1 5 5 LEU N N 5 114.872 114.872 121.964 -7.092 25411 2752 1 6 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.118 -0.417 25411 2753 1 6 . 1 1 5 5 LEU CA C 5 57.738 57.738 57.680 0.058 25411 2754 1 6 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.829 -1.014 25411 2755 1 6 . 1 1 5 5 LEU H H 5 8.206 8.206 8.254 -0.048 25411 2756 1 6 . 1 1 6 6 SER N N 6 109.762 109.762 113.214 -3.452 25411 2757 1 6 . 1 1 6 6 SER HA H 6 4.092 4.092 4.125 -0.033 25411 2758 1 6 . 1 1 6 6 SER CA C 6 60.415 60.415 61.673 -1.258 25411 2759 1 6 . 1 1 6 6 SER CB C 6 63.391 63.391 62.708 0.683 25411 2760 1 6 . 1 1 6 6 SER H H 6 8.253 8.253 7.882 0.371 25411 2761 1 6 . 1 1 7 7 GLN N N 7 117.498 117.498 122.216 -4.718 25411 2762 1 6 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.136 -0.181 25411 2763 1 6 . 1 1 7 7 GLN CA C 7 58.425 58.425 57.952 0.473 25411 2764 1 6 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.308 0.431 25411 2765 1 6 . 1 1 7 7 GLN H H 7 8.673 8.673 7.921 0.752 25411 2766 1 6 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.474 -0.677 25411 2767 1 6 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.995 -0.940 25411 2768 1 6 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.213 -1.105 25411 2769 1 6 . 1 1 9 9 GLU N N 9 120.354 120.354 119.452 0.902 25411 2770 1 6 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.148 -0.189 25411 2771 1 6 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.229 1.029 25411 2772 1 6 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.758 -0.531 25411 2773 1 6 . 1 1 9 9 GLU H H 9 7.690 7.690 8.467 -0.777 25411 2774 1 6 . 1 1 10 10 ARG N N 10 118.753 118.753 119.937 -1.184 25411 2775 1 6 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.032 0.067 25411 2776 1 6 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.460 -1.239 25411 2777 1 6 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.195 -1.100 25411 2778 1 6 . 1 1 10 10 ARG H H 10 8.928 8.928 7.784 1.144 25411 2779 1 6 . 1 1 11 11 TYR N N 11 121.288 121.288 119.000 2.288 25411 2780 1 6 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.261 -0.072 25411 2781 1 6 . 1 1 11 11 TYR CA C 11 61.236 61.236 61.803 -0.567 25411 2782 1 6 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.198 -0.337 25411 2783 1 6 . 1 1 11 11 TYR H H 11 7.562 7.562 8.646 -1.084 25411 2784 1 6 . 1 1 12 12 VAL N N 12 119.304 119.304 119.577 -0.273 25411 2785 1 6 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.702 -0.619 25411 2786 1 6 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.838 -0.003 25411 2787 1 6 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.761 -0.662 25411 2788 1 6 . 1 1 12 12 VAL H H 12 8.075 8.075 7.874 0.201 25411 2789 1 6 . 1 1 13 13 GLU N N 13 119.685 119.685 120.112 -0.427 25411 2790 1 6 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.036 0.119 25411 2791 1 6 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.433 -0.008 25411 2792 1 6 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.345 -0.157 25411 2793 1 6 . 1 1 13 13 GLU H H 13 8.278 8.278 7.883 0.395 25411 2794 1 6 . 1 1 14 14 GLN N N 14 119.682 119.682 120.184 -0.502 25411 2795 1 6 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.103 -0.447 25411 2796 1 6 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.664 1.305 25411 2797 1 6 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.346 1.327 25411 2798 1 6 . 1 1 14 14 GLN H H 14 7.653 7.653 8.190 -0.537 25411 2799 1 6 . 1 1 15 15 LEU N N 15 121.000 121.000 119.346 1.654 25411 2800 1 6 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.042 -0.121 25411 2801 1 6 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.767 0.689 25411 2802 1 6 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.356 -0.596 25411 2803 1 6 . 1 1 15 15 LEU H H 15 8.402 8.402 8.565 -0.163 25411 2804 1 6 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.868 -0.172 25411 2805 1 6 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.285 -0.027 25411 2806 1 6 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.268 -0.133 25411 2807 1 6 . 1 1 17 17 GLN N N 17 117.558 117.558 118.288 -0.730 25411 2808 1 6 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.091 -0.204 25411 2809 1 6 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.692 -0.250 25411 2810 1 6 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.775 -0.730 25411 2811 1 6 . 1 1 17 17 GLN H H 17 7.849 7.849 7.969 -0.120 25411 2812 1 6 . 1 1 18 18 ALA N N 18 120.288 120.288 123.200 -2.912 25411 2813 1 6 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.207 -0.419 25411 2814 1 6 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.819 0.074 25411 2815 1 6 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.687 -1.291 25411 2816 1 6 . 1 1 18 18 ALA H H 18 8.504 8.504 8.285 0.219 25411 2817 1 6 . 1 1 19 19 LEU N N 19 116.974 116.974 118.584 -1.610 25411 2818 1 6 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.038 -0.279 25411 2819 1 6 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.836 0.716 25411 2820 1 6 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.786 -1.093 25411 2821 1 6 . 1 1 19 19 LEU H H 19 8.143 8.143 8.395 -0.252 25411 2822 1 6 . 1 1 20 20 LYS N N 20 117.776 117.776 121.230 -3.454 25411 2823 1 6 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.033 -0.078 25411 2824 1 6 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.548 -0.004 25411 2825 1 6 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.309 -1.823 25411 2826 1 6 . 1 1 20 20 LYS H H 20 8.340 8.340 8.006 0.334 25411 2827 1 6 . 1 1 21 21 THR N N 21 116.373 116.373 112.142 4.231 25411 2828 1 6 . 1 1 21 21 THR HA H 21 4.107 4.107 4.219 -0.112 25411 2829 1 6 . 1 1 21 21 THR CA C 21 64.611 64.611 64.567 0.044 25411 2830 1 6 . 1 1 21 21 THR CB C 21 68.811 68.811 68.390 0.421 25411 2831 1 6 . 1 1 21 21 THR H H 21 7.302 7.302 7.856 -0.554 25411 2832 1 6 . 1 1 22 22 ARG N N 22 118.647 118.647 119.655 -1.008 25411 2833 1 6 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.472 -0.110 25411 2834 1 6 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.702 -1.637 25411 2835 1 6 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.122 -1.594 25411 2836 1 6 . 1 1 22 22 ARG H H 22 7.290 7.290 7.613 -0.323 25411 2837 1 6 . 1 1 23 23 GLY N N 23 108.637 108.637 108.682 -0.045 25411 2838 1 6 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.550 0.562 25411 2839 1 6 . 1 1 23 23 GLY H H 23 7.881 7.881 7.664 0.217 25411 2840 1 6 . 1 1 24 24 VAL N N 24 117.390 117.390 120.683 -3.293 25411 2841 1 6 . 1 1 24 24 VAL HA H 24 4.014 4.014 4.239 -0.225 25411 2842 1 6 . 1 1 24 24 VAL CA C 24 61.668 61.668 61.492 0.176 25411 2843 1 6 . 1 1 24 24 VAL CB C 24 32.372 32.372 30.102 2.270 25411 2844 1 6 . 1 1 24 24 VAL H H 24 7.333 7.333 7.730 -0.397 25411 2845 1 6 . 1 1 25 25 LYS N N 25 127.322 127.322 119.820 7.502 25411 2846 1 6 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.984 0.348 25411 2847 1 6 . 1 1 25 25 LYS CA C 25 55.762 55.762 56.992 -1.230 25411 2848 1 6 . 1 1 25 25 LYS CB C 25 31.761 31.761 32.050 -0.289 25411 2849 1 6 . 1 1 25 25 LYS H H 25 8.722 8.722 7.671 1.051 25411 2850 1 6 . 1 1 26 26 VAL N N 26 120.568 120.568 119.043 1.525 25411 2851 1 6 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.185 -0.107 25411 2852 1 6 . 1 1 26 26 VAL CA C 26 60.665 60.665 62.033 -1.368 25411 2853 1 6 . 1 1 26 26 VAL CB C 26 33.647 33.647 34.108 -0.461 25411 2854 1 6 . 1 1 26 26 VAL H H 26 7.119 7.119 8.082 -0.963 25411 2855 1 6 . 1 1 27 27 LYS N N 27 125.675 125.675 126.160 -0.485 25411 2856 1 6 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.458 -0.132 25411 2857 1 6 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.288 0.123 25411 2858 1 6 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.866 -2.907 25411 2859 1 6 . 1 1 27 27 LYS H H 27 8.570 8.570 8.003 0.567 25411 2860 1 6 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.448 -0.431 25411 2861 1 6 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.885 -2.473 25411 2862 1 6 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.761 2.079 25411 2863 1 6 . 1 1 29 29 ALA N N 29 120.743 120.743 128.215 -7.472 25411 2864 1 6 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.130 -0.462 25411 2865 1 6 . 1 1 29 29 ALA CA C 29 54.678 54.678 54.874 -0.196 25411 2866 1 6 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.743 -0.743 25411 2867 1 6 . 1 1 29 29 ALA H H 29 8.323 8.323 8.761 -0.438 25411 2868 1 6 . 1 1 30 30 ASP N N 30 117.202 117.202 118.167 -0.965 25411 2869 1 6 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.378 -0.097 25411 2870 1 6 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.158 0.395 25411 2871 1 6 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.922 -0.115 25411 2872 1 6 . 1 1 30 30 ASP H H 30 6.872 6.872 8.688 -1.816 25411 2873 1 6 . 1 1 31 31 LEU N N 31 122.273 122.273 118.527 3.746 25411 2874 1 6 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.314 -0.768 25411 2875 1 6 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.515 0.210 25411 2876 1 6 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.217 -1.559 25411 2877 1 6 . 1 1 31 31 LEU H H 31 7.433 7.433 7.624 -0.191 25411 2878 1 6 . 1 1 32 32 LEU N N 32 123.376 123.376 119.551 3.825 25411 2879 1 6 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.238 -0.623 25411 2880 1 6 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.001 0.095 25411 2881 1 6 . 1 1 32 32 LEU CB C 32 40.542 40.542 42.057 -1.515 25411 2882 1 6 . 1 1 32 32 LEU H H 32 8.727 8.727 7.902 0.825 25411 2883 1 6 . 1 1 33 33 LYS N N 33 118.078 118.078 119.921 -1.843 25411 2884 1 6 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.154 0.059 25411 2885 1 6 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.808 -0.710 25411 2886 1 6 . 1 1 33 33 LYS CB C 33 31.890 31.890 31.882 0.008 25411 2887 1 6 . 1 1 33 33 LYS H H 33 7.149 7.149 7.500 -0.351 25411 2888 1 6 . 1 1 34 34 PHE N N 34 117.398 117.398 120.636 -3.238 25411 2889 1 6 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.807 -5.112 25411 2890 1 6 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.117 2.102 25411 2891 1 6 . 1 1 34 34 PHE H H 34 7.633 7.633 8.292 -0.659 25411 2892 1 6 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.095 -0.302 25411 2893 1 6 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.066 -0.474 25411 2894 1 6 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.260 -2.246 25411 2895 1 6 . 1 1 36 36 ASP N N 36 120.136 120.136 120.058 0.078 25411 2896 1 6 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.470 -0.374 25411 2897 1 6 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.748 -0.807 25411 2898 1 6 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.627 -1.523 25411 2899 1 6 . 1 1 36 36 ASP H H 36 8.330 8.330 8.836 -0.506 25411 2900 1 6 . 1 1 37 37 PHE N N 37 121.883 121.883 119.015 2.868 25411 2901 1 6 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.468 -0.210 25411 2902 1 6 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.654 -1.956 25411 2903 1 6 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.174 1.011 25411 2904 1 6 . 1 1 37 37 PHE H H 37 7.794 7.794 8.598 -0.804 25411 2905 1 6 . 1 1 38 38 VAL N N 38 118.525 118.525 119.670 -1.145 25411 2906 1 6 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.489 -0.450 25411 2907 1 6 . 1 1 38 38 VAL CA C 38 66.882 66.882 65.770 1.112 25411 2908 1 6 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.204 -0.516 25411 2909 1 6 . 1 1 38 38 VAL H H 38 8.262 8.262 7.892 0.370 25411 2910 1 6 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.844 -0.388 25411 2911 1 6 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.119 -0.065 25411 2912 1 6 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.903 -0.207 25411 2913 1 6 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.378 0.067 25411 2914 1 6 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.061 0.924 25411 2915 1 6 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.270 -0.578 25411 2916 1 6 . 1 1 41 41 ILE N N 41 120.641 120.641 119.220 1.421 25411 2917 1 6 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.992 0.033 25411 2918 1 6 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.313 -2.661 25411 2919 1 6 . 1 1 41 41 ILE CB C 41 38.064 38.064 39.184 -1.119 25411 2920 1 6 . 1 1 41 41 ILE H H 41 8.788 8.788 8.265 0.523 25411 2921 1 6 . 1 1 42 42 CYS N N 42 117.896 117.896 113.666 4.230 25411 2922 1 6 . 1 1 42 42 CYS CA C 42 56.172 56.172 54.557 1.615 25411 2923 1 6 . 1 1 42 42 CYS CB C 42 28.324 28.324 26.785 1.539 25411 2924 1 6 . 1 1 42 42 CYS H H 42 7.180 7.180 7.563 -0.383 25411 2925 1 6 . 1 1 43 43 PRO HA H 43 4.315 4.315 3.974 0.341 25411 2926 1 6 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.548 0.455 25411 2927 1 6 . 1 1 43 43 PRO CB C 43 30.715 30.715 30.852 -0.137 25411 2928 1 6 . 1 1 44 44 TRP N N 44 113.823 113.823 115.892 -2.069 25411 2929 1 6 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.692 -0.387 25411 2930 1 6 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.169 -1.771 25411 2931 1 6 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.777 -1.966 25411 2932 1 6 . 1 1 44 44 TRP H H 44 6.591 6.591 7.494 -0.903 25411 2933 1 6 . 1 1 45 45 PHE N N 45 123.100 123.100 113.606 9.494 25411 2934 1 6 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.016 -1.015 25411 2935 1 6 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.210 8.599 25411 2936 1 6 . 1 1 45 45 PHE CB C 45 34.935 34.935 37.505 -2.570 25411 2937 1 6 . 1 1 45 45 PHE H H 45 7.239 7.239 7.959 -0.720 25411 2938 1 6 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.298 -0.286 25411 2939 1 6 . 1 1 46 46 PRO CA C 46 64.531 64.531 63.817 0.714 25411 2940 1 6 . 1 1 46 46 PRO CB C 46 30.487 30.487 32.067 -1.580 25411 2941 1 6 . 1 1 47 47 GLN N N 47 114.502 114.502 118.319 -3.817 25411 2942 1 6 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.152 -0.215 25411 2943 1 6 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.074 0.330 25411 2944 1 6 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.454 0.866 25411 2945 1 6 . 1 1 47 47 GLN H H 47 6.518 6.518 8.407 -1.889 25411 2946 1 6 . 1 1 48 48 GLU N N 48 117.358 117.358 118.428 -1.070 25411 2947 1 6 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.255 -0.217 25411 2948 1 6 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.763 1.409 25411 2949 1 6 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.081 -1.127 25411 2950 1 6 . 1 1 48 48 GLU H H 48 7.318 7.318 7.744 -0.426 25411 2951 1 6 . 1 1 49 49 GLY N N 49 105.534 105.534 107.944 -2.410 25411 2952 1 6 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.838 1.465 25411 2953 1 6 . 1 1 49 49 GLY H H 49 7.296 7.296 7.479 -0.183 25411 2954 1 6 . 1 1 50 50 THR N N 50 114.069 114.069 114.203 -0.134 25411 2955 1 6 . 1 1 50 50 THR HA H 50 4.234 4.234 4.293 -0.059 25411 2956 1 6 . 1 1 50 50 THR CA C 50 61.683 61.683 61.411 0.272 25411 2957 1 6 . 1 1 50 50 THR CB C 50 70.718 70.718 70.729 -0.011 25411 2958 1 6 . 1 1 50 50 THR H H 50 7.597 7.597 7.507 0.090 25411 2959 1 6 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.326 -0.201 25411 2960 1 6 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.128 -1.258 25411 2961 1 6 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.888 -4.600 25411 2962 1 6 . 1 1 52 52 ASP N N 52 121.791 121.791 123.019 -1.228 25411 2963 1 6 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.811 -0.188 25411 2964 1 6 . 1 1 52 52 ASP CA C 52 51.732 51.732 53.017 -1.285 25411 2965 1 6 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.151 -1.690 25411 2966 1 6 . 1 1 52 52 ASP H H 52 7.168 7.168 8.232 -1.064 25411 2967 1 6 . 1 1 53 53 ILE N N 53 119.537 119.537 119.582 -0.045 25411 2968 1 6 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.421 -0.286 25411 2969 1 6 . 1 1 53 53 ILE CA C 53 61.796 61.796 61.795 0.001 25411 2970 1 6 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.987 -2.172 25411 2971 1 6 . 1 1 53 53 ILE H H 53 8.336 8.336 8.498 -0.162 25411 2972 1 6 . 1 1 54 54 LYS N N 54 123.592 123.592 121.997 1.595 25411 2973 1 6 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.114 -0.009 25411 2974 1 6 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.104 -0.132 25411 2975 1 6 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.277 -0.529 25411 2976 1 6 . 1 1 54 54 LYS H H 54 8.104 8.104 8.157 -0.053 25411 2977 1 6 . 1 1 55 55 ARG N N 55 120.511 120.511 119.082 1.429 25411 2978 1 6 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.175 0.126 25411 2979 1 6 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.561 0.342 25411 2980 1 6 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.359 -0.303 25411 2981 1 6 . 1 1 55 55 ARG H H 55 9.196 9.196 8.795 0.401 25411 2982 1 6 . 1 1 56 56 TRP N N 56 120.681 120.681 121.637 -0.956 25411 2983 1 6 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.704 -0.001 25411 2984 1 6 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.589 -1.183 25411 2985 1 6 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.289 0.725 25411 2986 1 6 . 1 1 56 56 TRP H H 56 8.899 8.899 8.140 0.759 25411 2987 1 6 . 1 1 57 57 ARG N N 57 122.115 122.115 119.333 2.782 25411 2988 1 6 . 1 1 57 57 ARG HA H 57 4.407 4.407 4.104 0.303 25411 2989 1 6 . 1 1 57 57 ARG CA C 57 60.027 60.027 58.487 1.540 25411 2990 1 6 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.673 0.113 25411 2991 1 6 . 1 1 57 57 ARG H H 57 9.210 9.210 8.429 0.781 25411 2992 1 6 . 1 1 58 58 ARG N N 58 120.918 120.918 119.469 1.449 25411 2993 1 6 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.681 0.164 25411 2994 1 6 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.192 -0.463 25411 2995 1 6 . 1 1 58 58 ARG H H 58 7.640 7.640 7.749 -0.109 25411 2996 1 6 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.622 0.142 25411 2997 1 6 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.662 0.338 25411 2998 1 6 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.381 -0.549 25411 2999 1 6 . 1 1 59 59 VAL H H 59 7.916 7.916 7.692 0.224 25411 3000 1 6 . 1 1 60 60 GLY N N 60 106.856 106.856 107.014 -0.158 25411 3001 1 6 . 1 1 60 60 GLY CA C 60 46.081 46.081 46.981 -0.900 25411 3002 1 6 . 1 1 60 60 GLY H H 60 7.623 7.623 8.178 -0.555 25411 3003 1 6 . 1 1 61 61 ASP N N 61 123.308 123.308 122.821 0.487 25411 3004 1 6 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.713 -0.488 25411 3005 1 6 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.943 -0.143 25411 3006 1 6 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.692 -1.208 25411 3007 1 6 . 1 1 61 61 ASP H H 61 8.203 8.203 7.894 0.309 25411 3008 1 6 . 1 1 62 62 CYS N N 62 120.841 120.841 118.329 2.512 25411 3009 1 6 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.018 0.220 25411 3010 1 6 . 1 1 62 62 CYS CA C 62 62.950 62.950 63.627 -0.677 25411 3011 1 6 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.210 0.293 25411 3012 1 6 . 1 1 62 62 CYS H H 62 7.795 7.795 7.549 0.246 25411 3013 1 6 . 1 1 63 63 PHE N N 63 119.763 119.763 117.966 1.797 25411 3014 1 6 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.341 -0.063 25411 3015 1 6 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.334 -2.676 25411 3016 1 6 . 1 1 63 63 PHE CB C 63 36.990 36.990 37.579 -0.589 25411 3017 1 6 . 1 1 63 63 PHE H H 63 8.647 8.647 7.614 1.033 25411 3018 1 6 . 1 1 64 64 GLN N N 64 118.578 118.578 119.969 -1.391 25411 3019 1 6 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.097 0.211 25411 3020 1 6 . 1 1 64 64 GLN CA C 64 59.333 59.333 59.070 0.263 25411 3021 1 6 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.233 0.346 25411 3022 1 6 . 1 1 64 64 GLN H H 64 8.261 8.261 8.361 -0.100 25411 3023 1 6 . 1 1 65 65 ASP N N 65 119.534 119.534 121.782 -2.248 25411 3024 1 6 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.418 0.066 25411 3025 1 6 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.305 0.024 25411 3026 1 6 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.964 -1.293 25411 3027 1 6 . 1 1 65 65 ASP H H 65 8.338 8.338 8.569 -0.230 25411 3028 1 6 . 1 1 66 66 TYR N N 66 123.600 123.600 121.946 1.654 25411 3029 1 6 . 1 1 66 66 TYR HA H 66 4.502 4.502 4.074 0.428 25411 3030 1 6 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.178 -0.947 25411 3031 1 6 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.533 -0.100 25411 3032 1 6 . 1 1 66 66 TYR H H 66 7.804 7.804 8.334 -0.530 25411 3033 1 6 . 1 1 67 67 TYR N N 67 122.825 122.825 118.745 4.080 25411 3034 1 6 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.903 0.094 25411 3035 1 6 . 1 1 67 67 TYR CA C 67 61.903 61.903 62.046 -0.143 25411 3036 1 6 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.779 0.167 25411 3037 1 6 . 1 1 67 67 TYR H H 67 9.100 9.100 8.492 0.608 25411 3038 1 6 . 1 1 68 68 ASN N N 68 118.826 118.826 117.309 1.517 25411 3039 1 6 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.528 -0.245 25411 3040 1 6 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.715 -0.283 25411 3041 1 6 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.178 -0.302 25411 3042 1 6 . 1 1 68 68 ASN H H 68 8.853 8.853 8.583 0.270 25411 3043 1 6 . 1 1 69 69 THR N N 69 114.242 114.242 113.636 0.606 25411 3044 1 6 . 1 1 69 69 THR HA H 69 3.837 3.837 4.097 -0.260 25411 3045 1 6 . 1 1 69 69 THR CA C 69 65.328 65.328 65.733 -0.405 25411 3046 1 6 . 1 1 69 69 THR CB C 69 69.249 69.249 69.167 0.082 25411 3047 1 6 . 1 1 69 69 THR H H 69 7.847 7.847 8.278 -0.431 25411 3048 1 6 . 1 1 70 70 PHE N N 70 117.970 117.970 118.863 -0.893 25411 3049 1 6 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.538 0.026 25411 3050 1 6 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.288 -0.046 25411 3051 1 6 . 1 1 70 70 PHE CB C 70 41.074 41.074 41.039 0.035 25411 3052 1 6 . 1 1 70 70 PHE H H 70 8.489 8.489 7.368 1.121 25411 3053 1 6 . 1 1 71 71 GLY N N 71 109.516 109.516 107.069 2.447 25411 3054 1 6 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.612 0.420 25411 3055 1 6 . 1 1 71 71 GLY H H 71 7.968 7.968 7.894 0.074 25411 3056 1 6 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.472 0.239 25411 3057 1 6 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.658 0.639 25411 3058 1 6 . 1 1 72 72 PRO CB C 72 31.744 31.744 32.058 -0.314 25411 3059 1 6 . 1 1 73 73 GLU N N 73 117.720 117.720 124.992 -7.272 25411 3060 1 6 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.076 -0.177 25411 3061 1 6 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.616 0.120 25411 3062 1 6 . 1 1 73 73 GLU CB C 73 28.863 28.863 30.295 -1.432 25411 3063 1 6 . 1 1 73 73 GLU H H 73 8.586 8.586 8.843 -0.257 25411 3064 1 6 . 1 1 74 74 LYS N N 74 116.974 116.974 117.603 -0.629 25411 3065 1 6 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.463 -0.074 25411 3066 1 6 . 1 1 74 74 LYS CA C 74 55.185 55.185 56.462 -1.278 25411 3067 1 6 . 1 1 74 74 LYS CB C 74 34.087 34.087 34.095 -0.008 25411 3068 1 6 . 1 1 74 74 LYS H H 74 7.505 7.505 8.259 -0.754 25411 3069 1 6 . 1 1 75 75 VAL N N 75 117.309 117.309 121.053 -3.744 25411 3070 1 6 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.481 -0.168 25411 3071 1 6 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.132 1.913 25411 3072 1 6 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.748 -0.764 25411 3073 1 6 . 1 1 75 75 VAL H H 75 7.402 7.402 7.790 -0.388 25411 3074 1 6 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.670 -0.108 25411 3075 1 6 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.655 -0.968 25411 3076 1 6 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.623 -0.892 25411 3077 1 6 . 1 1 77 77 VAL N N 77 120.870 120.870 123.616 -2.746 25411 3078 1 6 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.180 -0.352 25411 3079 1 6 . 1 1 77 77 VAL CA C 77 65.838 65.838 63.932 1.906 25411 3080 1 6 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.968 -0.581 25411 3081 1 6 . 1 1 77 77 VAL H H 77 8.473 8.473 8.812 -0.339 25411 3082 1 6 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.837 0.015 25411 3083 1 6 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.278 -3.153 25411 3084 1 6 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.875 0.260 25411 3085 1 6 . 1 1 78 78 ILE H H 78 8.388 8.388 8.159 0.229 25411 3086 1 6 . 1 1 79 79 ALA N N 79 123.960 123.960 123.519 0.441 25411 3087 1 6 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.023 -0.133 25411 3088 1 6 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.485 0.404 25411 3089 1 6 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.204 -0.581 25411 3090 1 6 . 1 1 79 79 ALA H H 79 7.953 7.953 7.580 0.373 25411 3091 1 6 . 1 1 80 80 PHE N N 80 114.330 114.330 114.519 -0.189 25411 3092 1 6 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.384 0.047 25411 3093 1 6 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.731 1.581 25411 3094 1 6 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.261 -1.605 25411 3095 1 6 . 1 1 80 80 PHE H H 80 7.499 7.499 8.084 -0.585 25411 3096 1 6 . 1 1 81 81 SER N N 81 115.971 115.971 114.595 1.376 25411 3097 1 6 . 1 1 81 81 SER HA H 81 4.206 4.206 4.291 -0.085 25411 3098 1 6 . 1 1 81 81 SER CA C 81 58.432 58.432 59.925 -1.494 25411 3099 1 6 . 1 1 81 81 SER CB C 81 63.575 63.575 63.795 -0.220 25411 3100 1 6 . 1 1 81 81 SER H H 81 8.225 8.225 7.678 0.547 25411 3101 1 6 . 1 1 82 82 TYR N N 82 121.997 121.997 122.690 -0.693 25411 3102 1 6 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.338 0.109 25411 3103 1 6 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.611 -4.726 25411 3104 1 6 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.695 -0.857 25411 3105 1 6 . 1 1 82 82 TYR H H 82 8.378 8.378 7.365 1.013 25411 3106 1 6 . 1 1 83 83 TRP N N 83 120.268 120.268 119.532 0.736 25411 3107 1 6 . 1 1 83 83 TRP CA C 83 57.393 57.393 60.691 -3.299 25411 3108 1 6 . 1 1 83 83 TRP CB C 83 28.894 28.894 28.947 -0.053 25411 3109 1 6 . 1 1 83 83 TRP H H 83 8.546 8.546 9.706 -1.160 25411 3110 1 6 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.122 0.098 25411 3111 1 6 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.103 0.526 25411 3112 1 6 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.775 1.290 25411 3113 1 6 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.040 0.006 25411 3114 1 6 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.023 1.119 25411 3115 1 6 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.826 -0.134 25411 3116 1 6 . 1 1 86 86 ILE N N 86 117.000 117.000 120.214 -3.214 25411 3117 1 6 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.431 0.015 25411 3118 1 6 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.756 -2.473 25411 3119 1 6 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.969 -1.557 25411 3120 1 6 . 1 1 86 86 ILE H H 86 7.882 7.882 7.659 0.223 25411 3121 1 6 . 1 1 87 87 LYS HA H 87 3.226 3.226 4.000 -0.774 25411 3122 1 6 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.285 0.710 25411 3123 1 6 . 1 1 87 87 LYS CB C 87 31.050 31.050 32.442 -1.392 25411 3124 1 6 . 1 1 88 88 GLU N N 88 116.404 116.404 116.788 -0.384 25411 3125 1 6 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.421 -0.574 25411 3126 1 6 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.279 0.632 25411 3127 1 6 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.243 -0.274 25411 3128 1 6 . 1 1 88 88 GLU H H 88 7.689 7.689 7.632 0.057 25411 3129 1 6 . 1 1 89 89 LEU N N 89 118.193 118.193 120.678 -2.485 25411 3130 1 6 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.115 -0.226 25411 3131 1 6 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.840 1.123 25411 3132 1 6 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.025 -0.725 25411 3133 1 6 . 1 1 89 89 LEU H H 89 7.415 7.415 7.626 -0.211 25411 3134 1 6 . 1 1 90 90 ILE N N 90 115.471 115.471 120.339 -4.868 25411 3135 1 6 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.679 -0.261 25411 3136 1 6 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.158 0.750 25411 3137 1 6 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.752 -0.158 25411 3138 1 6 . 1 1 90 90 ILE H H 90 7.718 7.718 7.632 0.086 25411 3139 1 6 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.529 -0.809 25411 3140 1 6 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.874 0.790 25411 3141 1 6 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.241 0.291 25411 3142 1 6 . 1 1 92 92 LYS N N 92 119.253 119.253 118.432 0.821 25411 3143 1 6 . 1 1 92 92 LYS CA C 92 58.897 58.897 56.624 2.272 25411 3144 1 6 . 1 1 92 92 LYS CB C 92 31.988 31.988 31.887 0.101 25411 3145 1 6 . 1 1 92 92 LYS H H 92 7.869 7.869 7.539 0.330 25411 3146 1 6 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.102 0.429 25411 3147 1 6 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.202 -2.943 25411 3148 1 6 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.954 0.215 25411 3149 1 6 . 1 1 94 94 GLU N N 94 116.729 116.729 120.827 -4.098 25411 3150 1 6 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.097 0.036 25411 3151 1 6 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.096 0.223 25411 3152 1 6 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.242 -1.867 25411 3153 1 6 . 1 1 94 94 GLU H H 94 8.393 8.393 8.051 0.342 25411 3154 1 6 . 1 1 95 95 VAL N N 95 121.696 121.696 117.461 4.235 25411 3155 1 6 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.850 0.632 25411 3156 1 6 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.342 3.379 25411 3157 1 6 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.451 1.443 25411 3158 1 6 . 1 1 95 95 VAL H H 95 7.923 7.923 7.543 0.380 25411 3159 1 6 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.646 -0.288 25411 3160 1 6 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.632 -0.025 25411 3161 1 6 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.772 -0.898 25411 3162 1 6 . 1 1 98 98 GLN N N 98 117.731 117.731 119.208 -1.477 25411 3163 1 6 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.097 -0.172 25411 3164 1 6 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.388 0.220 25411 3165 1 6 . 1 1 98 98 GLN CB C 98 28.521 28.521 28.067 0.454 25411 3166 1 6 . 1 1 98 98 GLN H H 98 8.359 8.359 8.856 -0.497 25411 3167 1 6 . 1 1 99 99 VAL N N 99 121.326 121.326 117.976 3.350 25411 3168 1 6 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.776 -0.356 25411 3169 1 6 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.496 0.908 25411 3170 1 6 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.527 0.092 25411 3171 1 6 . 1 1 99 99 VAL H H 99 7.901 7.901 8.197 -0.296 25411 3172 1 6 . 1 1 100 100 MET N N 100 120.447 120.447 116.336 4.111 25411 3173 1 6 . 1 1 100 100 MET HA H 100 3.812 3.812 4.382 -0.570 25411 3174 1 6 . 1 1 100 100 MET CA C 100 59.297 59.297 58.002 1.295 25411 3175 1 6 . 1 1 100 100 MET CB C 100 32.099 32.099 33.216 -1.117 25411 3176 1 6 . 1 1 100 100 MET H H 100 7.509 7.509 7.487 0.022 25411 3177 1 6 . 1 1 101 101 ALA N N 101 119.458 119.458 121.440 -1.982 25411 3178 1 6 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.134 0.076 25411 3179 1 6 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.329 0.423 25411 3180 1 6 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.533 -1.012 25411 3181 1 6 . 1 1 101 101 ALA H H 101 7.889 7.889 7.581 0.308 25411 3182 1 6 . 1 1 102 102 ALA N N 102 119.627 119.627 121.388 -1.761 25411 3183 1 6 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.176 -0.183 25411 3184 1 6 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.738 0.150 25411 3185 1 6 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.285 -0.941 25411 3186 1 6 . 1 1 102 102 ALA H H 102 7.563 7.563 8.323 -0.760 25411 3187 1 6 . 1 1 103 103 VAL N N 103 122.690 122.690 119.253 3.437 25411 3188 1 6 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.859 0.214 25411 3189 1 6 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.847 -4.162 25411 3190 1 6 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.596 1.626 25411 3191 1 6 . 1 1 103 103 VAL H H 103 8.828 8.828 7.963 0.865 25411 3192 1 6 . 1 1 104 104 ALA N N 104 128.041 128.041 118.978 9.063 25411 3193 1 6 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.190 0.079 25411 3194 1 6 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.653 -2.512 25411 3195 1 6 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.439 0.501 25411 3196 1 6 . 1 1 104 104 ALA H H 104 8.367 8.367 7.518 0.849 25411 3197 1 6 . 1 1 105 105 GLN N N 105 120.265 120.265 116.661 3.604 25411 3198 1 6 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.156 -0.225 25411 3199 1 6 . 1 1 105 105 GLN CB C 105 29.020 29.020 29.808 -0.788 25411 3200 1 6 . 1 1 105 105 GLN H H 105 8.356 8.356 8.142 0.214 25411 3201 1 6 . 1 1 106 106 THR HA H 106 4.320 4.320 4.470 -0.150 25411 3202 1 6 . 1 1 106 106 THR CA C 106 61.346 61.346 63.686 -2.340 25411 3203 1 6 . 1 1 106 106 THR CB C 106 69.293 69.293 69.703 -0.410 25411 3204 1 6 . 1 1 107 107 GLU N N 107 122.706 122.706 120.234 2.472 25411 3205 1 6 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.541 -0.359 25411 3206 1 6 . 1 1 107 107 GLU CA C 107 56.576 56.576 56.995 -0.419 25411 3207 1 6 . 1 1 107 107 GLU CB C 107 29.936 29.936 31.761 -1.825 25411 3208 1 6 . 1 1 107 107 GLU H H 107 8.404 8.404 7.643 0.761 25411 3209 1 6 . 1 1 108 108 GLU N N 108 122.034 122.034 115.963 6.071 25411 3210 1 6 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.075 0.086 25411 3211 1 6 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.540 -0.891 25411 3212 1 6 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.275 0.401 25411 3213 1 6 . 1 1 108 108 GLU H H 108 7.341 7.341 8.011 -0.670 25411 3214 1 6 . 1 1 109 109 ILE N N 109 122.151 122.151 117.024 5.127 25411 3215 1 6 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.277 -0.230 25411 3216 1 6 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.830 -1.265 25411 3217 1 6 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.159 -0.055 25411 3218 1 6 . 1 1 109 109 ILE H H 109 8.058 8.058 8.808 -0.750 25411 3219 1 6 . 1 1 110 110 LEU N N 110 122.427 122.427 121.199 1.228 25411 3220 1 6 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.134 0.142 25411 3221 1 6 . 1 1 110 110 LEU CA C 110 55.151 55.151 55.470 -0.319 25411 3222 1 6 . 1 1 110 110 LEU CB C 110 32.255 32.255 41.726 -9.471 25411 3223 1 6 . 1 1 110 110 LEU H H 110 8.194 8.194 8.100 0.094 25411 3224 1 6 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.078 0.169 25411 3225 1 6 . 1 1 111 111 LYS CA C 111 56.137 56.137 57.648 -1.511 25411 3226 1 6 . 1 1 111 111 LYS CB C 111 32.569 32.569 31.914 0.655 25411 3227 1 6 . 1 1 112 112 SER N N 112 116.453 116.453 115.416 1.037 25411 3228 1 6 . 1 1 112 112 SER HA H 112 4.175 4.175 4.124 0.051 25411 3229 1 6 . 1 1 112 112 SER CA C 112 58.311 58.311 58.514 -0.203 25411 3230 1 6 . 1 1 112 112 SER CB C 112 63.441 63.441 61.742 1.699 25411 3231 1 6 . 1 1 112 112 SER H H 112 8.204 8.204 7.743 0.461 25411 3232 1 6 . 1 1 113 113 ASN N N 113 119.747 119.747 115.839 3.908 25411 3233 1 6 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.421 0.223 25411 3234 1 6 . 1 1 113 113 ASN CA C 113 53.645 53.645 54.489 -0.844 25411 3235 1 6 . 1 1 113 113 ASN CB C 113 38.646 38.646 38.407 0.239 25411 3236 1 6 . 1 1 113 113 ASN H H 113 7.944 7.944 8.732 -0.788 25411 3237 1 6 . 1 1 114 114 SER N N 114 115.433 115.433 114.266 1.167 25411 3238 1 6 . 1 1 114 114 SER HA H 114 4.336 4.336 4.016 0.320 25411 3239 1 6 . 1 1 114 114 SER CA C 114 58.711 58.711 58.045 0.666 25411 3240 1 6 . 1 1 114 114 SER CB C 114 63.308 63.308 63.562 -0.254 25411 3241 1 6 . 1 1 114 114 SER H H 114 7.962 7.962 7.816 0.146 25411 3242 1 6 . 1 1 115 115 GLN N N 115 121.682 121.682 116.231 5.451 25411 3243 1 6 . 1 1 115 115 GLN HA H 115 4.274 4.274 3.917 0.357 25411 3244 1 6 . 1 1 115 115 GLN CA C 115 56.193 56.193 58.316 -2.123 25411 3245 1 6 . 1 1 115 115 GLN CB C 115 28.807 28.807 27.282 1.525 25411 3246 1 6 . 1 1 115 115 GLN H H 115 8.207 8.207 8.341 -0.134 25411 3247 1 6 . 1 1 116 116 THR N N 116 114.715 114.715 111.094 3.621 25411 3248 1 6 . 1 1 116 116 THR HA H 116 4.225 4.225 4.927 -0.702 25411 3249 1 6 . 1 1 116 116 THR CA C 116 62.109 62.109 61.057 1.052 25411 3250 1 6 . 1 1 116 116 THR CB C 116 69.336 69.336 72.331 -2.994 25411 3251 1 6 . 1 1 116 116 THR H H 116 8.062 8.062 7.373 0.689 25411 3252 1 6 . 1 1 117 117 ASP N N 117 122.602 122.602 124.268 -1.666 25411 3253 1 6 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.345 0.223 25411 3254 1 6 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.822 -2.618 25411 3255 1 6 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.862 -0.197 25411 3256 1 6 . 1 1 117 117 ASP H H 117 8.065 8.065 9.342 -1.277 25411 3257 1 6 . 1 1 118 118 LEU N N 118 122.140 122.140 118.518 3.622 25411 3258 1 6 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.205 -0.050 25411 3259 1 6 . 1 1 118 118 LEU CA C 118 55.423 55.423 54.016 1.407 25411 3260 1 6 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.352 0.521 25411 3261 1 6 . 1 1 118 118 LEU H H 118 8.085 8.085 7.723 0.362 25411 3262 1 6 . 1 1 119 119 GLU N N 119 119.672 119.672 115.962 3.710 25411 3263 1 6 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.906 0.162 25411 3264 1 6 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.004 -0.439 25411 3265 1 6 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.330 2.242 25411 3266 1 6 . 1 1 119 119 GLU H H 119 8.143 8.143 7.588 0.555 25411 3267 1 6 . 1 1 120 120 HIS N N 120 118.301 118.301 116.652 1.649 25411 3268 1 6 . 1 1 120 120 HIS CA C 120 55.883 55.883 58.139 -2.256 25411 3269 1 6 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.636 -0.365 25411 3270 1 6 . 1 1 120 120 HIS H H 120 8.107 8.107 8.289 -0.182 25411 3271 1 6 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.834 -0.826 25411 3272 1 6 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.362 -0.196 25411 3273 1 6 . 1 1 121 121 HIS CB C 121 28.759 28.759 30.276 -1.517 25411 3274 1 6 . 1 1 122 122 HIS N N 122 122.407 122.407 117.244 5.163 25411 3275 1 6 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.766 -0.548 25411 3276 1 6 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.733 1.348 25411 3277 1 6 . 1 1 122 122 HIS CB C 122 29.371 29.371 32.571 -3.200 25411 3278 1 6 . 1 1 122 122 HIS H H 122 8.489 8.489 8.080 0.409 25411 3279 1 6 . 1 1 123 123 HIS N N 123 122.868 122.868 118.230 4.638 25411 3280 1 6 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.194 0.193 25411 3281 1 6 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.453 -1.143 25411 3282 1 6 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.099 0.403 25411 3283 1 6 . 1 1 123 123 HIS H H 123 8.596 8.596 8.458 0.138 25411 3284 1 6 . 1 1 124 124 HIS N N 124 123.734 123.734 118.697 5.037 25411 3285 1 6 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.835 -0.278 25411 3286 1 6 . 1 1 124 124 HIS CA C 124 55.385 55.385 53.620 1.765 25411 3287 1 6 . 1 1 124 124 HIS CB C 124 29.358 29.358 29.147 0.211 25411 3288 1 6 . 1 1 124 124 HIS H H 124 8.255 8.255 7.682 0.573 25411 3289 1 7 . 1 1 3 3 GLN N N 3 122.360 122.360 120.435 1.925 25411 3290 1 7 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.427 -0.539 25411 3291 1 7 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.930 1.812 25411 3292 1 7 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.980 -0.597 25411 3293 1 7 . 1 1 3 3 GLN H H 3 9.398 9.398 8.540 0.858 25411 3294 1 7 . 1 1 4 4 GLU N N 4 119.689 119.689 119.911 -0.222 25411 3295 1 7 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.172 0.502 25411 3296 1 7 . 1 1 4 4 GLU CA C 4 57.807 57.807 58.015 -0.208 25411 3297 1 7 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.551 0.149 25411 3298 1 7 . 1 1 4 4 GLU H H 4 7.464 7.464 8.930 -1.466 25411 3299 1 7 . 1 1 5 5 LEU N N 5 114.872 114.872 122.081 -7.209 25411 3300 1 7 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.118 -0.417 25411 3301 1 7 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.042 -0.304 25411 3302 1 7 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.989 -1.175 25411 3303 1 7 . 1 1 5 5 LEU H H 5 8.206 8.206 7.494 0.712 25411 3304 1 7 . 1 1 6 6 SER N N 6 109.762 109.762 113.092 -3.330 25411 3305 1 7 . 1 1 6 6 SER HA H 6 4.092 4.092 4.089 0.003 25411 3306 1 7 . 1 1 6 6 SER CA C 6 60.415 60.415 61.688 -1.272 25411 3307 1 7 . 1 1 6 6 SER CB C 6 63.391 63.391 62.638 0.753 25411 3308 1 7 . 1 1 6 6 SER H H 6 8.253 8.253 8.233 0.020 25411 3309 1 7 . 1 1 7 7 GLN N N 7 117.498 117.498 122.981 -5.483 25411 3310 1 7 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.136 -0.181 25411 3311 1 7 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.750 -0.325 25411 3312 1 7 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.848 -0.108 25411 3313 1 7 . 1 1 7 7 GLN H H 7 8.673 8.673 7.931 0.742 25411 3314 1 7 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.333 -0.536 25411 3315 1 7 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.649 -0.594 25411 3316 1 7 . 1 1 8 8 HIS CB C 8 29.109 29.109 29.667 -0.558 25411 3317 1 7 . 1 1 9 9 GLU N N 9 120.354 120.354 120.052 0.302 25411 3318 1 7 . 1 1 9 9 GLU HA H 9 3.959 3.959 3.505 0.454 25411 3319 1 7 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.124 1.134 25411 3320 1 7 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.509 -0.282 25411 3321 1 7 . 1 1 9 9 GLU H H 9 7.690 7.690 8.266 -0.576 25411 3322 1 7 . 1 1 10 10 ARG N N 10 118.753 118.753 119.606 -0.853 25411 3323 1 7 . 1 1 10 10 ARG HA H 10 4.099 4.099 3.966 0.133 25411 3324 1 7 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.342 -1.121 25411 3325 1 7 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.216 -1.121 25411 3326 1 7 . 1 1 10 10 ARG H H 10 8.928 8.928 7.853 1.075 25411 3327 1 7 . 1 1 11 11 TYR N N 11 121.288 121.288 119.165 2.123 25411 3328 1 7 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.269 -0.080 25411 3329 1 7 . 1 1 11 11 TYR CA C 11 61.236 61.236 61.990 -0.754 25411 3330 1 7 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.589 -0.728 25411 3331 1 7 . 1 1 11 11 TYR H H 11 7.562 7.562 8.694 -1.132 25411 3332 1 7 . 1 1 12 12 VAL N N 12 119.304 119.304 119.962 -0.658 25411 3333 1 7 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.721 -0.638 25411 3334 1 7 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.294 0.541 25411 3335 1 7 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.176 -0.077 25411 3336 1 7 . 1 1 12 12 VAL H H 12 8.075 8.075 7.875 0.200 25411 3337 1 7 . 1 1 13 13 GLU N N 13 119.685 119.685 119.509 0.176 25411 3338 1 7 . 1 1 13 13 GLU HA H 13 4.155 4.155 3.996 0.159 25411 3339 1 7 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.175 0.250 25411 3340 1 7 . 1 1 13 13 GLU CB C 13 29.188 29.188 28.796 0.392 25411 3341 1 7 . 1 1 13 13 GLU H H 13 8.278 8.278 7.672 0.606 25411 3342 1 7 . 1 1 14 14 GLN N N 14 119.682 119.682 119.955 -0.273 25411 3343 1 7 . 1 1 14 14 GLN HA H 14 3.656 3.656 3.981 -0.325 25411 3344 1 7 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.927 1.042 25411 3345 1 7 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.590 1.083 25411 3346 1 7 . 1 1 14 14 GLN H H 14 7.653 7.653 7.817 -0.164 25411 3347 1 7 . 1 1 15 15 LEU N N 15 121.000 121.000 118.694 2.306 25411 3348 1 7 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.113 -0.192 25411 3349 1 7 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.233 1.222 25411 3350 1 7 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.199 -0.439 25411 3351 1 7 . 1 1 15 15 LEU H H 15 8.402 8.402 8.498 -0.096 25411 3352 1 7 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.909 -0.213 25411 3353 1 7 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.301 -0.043 25411 3354 1 7 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.298 -0.164 25411 3355 1 7 . 1 1 17 17 GLN N N 17 117.558 117.558 118.619 -1.061 25411 3356 1 7 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.071 -0.184 25411 3357 1 7 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.671 -0.229 25411 3358 1 7 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.722 -0.677 25411 3359 1 7 . 1 1 17 17 GLN H H 17 7.849 7.849 7.814 0.035 25411 3360 1 7 . 1 1 18 18 ALA N N 18 120.288 120.288 123.225 -2.937 25411 3361 1 7 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.169 -0.381 25411 3362 1 7 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.910 -0.017 25411 3363 1 7 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.575 -1.179 25411 3364 1 7 . 1 1 18 18 ALA H H 18 8.504 8.504 8.346 0.158 25411 3365 1 7 . 1 1 19 19 LEU N N 19 116.974 116.974 118.435 -1.461 25411 3366 1 7 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.067 -0.308 25411 3367 1 7 . 1 1 19 19 LEU CA C 19 57.552 57.552 57.090 0.462 25411 3368 1 7 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.896 -1.203 25411 3369 1 7 . 1 1 19 19 LEU H H 19 8.143 8.143 8.318 -0.175 25411 3370 1 7 . 1 1 20 20 LYS N N 20 117.776 117.776 121.624 -3.848 25411 3371 1 7 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.080 -0.125 25411 3372 1 7 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.489 0.055 25411 3373 1 7 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.449 -1.962 25411 3374 1 7 . 1 1 20 20 LYS H H 20 8.340 8.340 8.059 0.281 25411 3375 1 7 . 1 1 21 21 THR N N 21 116.373 116.373 111.351 5.022 25411 3376 1 7 . 1 1 21 21 THR HA H 21 4.107 4.107 4.182 -0.075 25411 3377 1 7 . 1 1 21 21 THR CA C 21 64.611 64.611 64.380 0.231 25411 3378 1 7 . 1 1 21 21 THR CB C 21 68.811 68.811 68.550 0.261 25411 3379 1 7 . 1 1 21 21 THR H H 21 7.302 7.302 8.075 -0.773 25411 3380 1 7 . 1 1 22 22 ARG N N 22 118.647 118.647 119.577 -0.930 25411 3381 1 7 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.450 -0.088 25411 3382 1 7 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.837 -1.772 25411 3383 1 7 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.026 -1.498 25411 3384 1 7 . 1 1 22 22 ARG H H 22 7.290 7.290 7.783 -0.493 25411 3385 1 7 . 1 1 23 23 GLY N N 23 108.637 108.637 107.812 0.825 25411 3386 1 7 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.508 0.604 25411 3387 1 7 . 1 1 23 23 GLY H H 23 7.881 7.881 7.714 0.167 25411 3388 1 7 . 1 1 24 24 VAL N N 24 117.390 117.390 122.548 -5.158 25411 3389 1 7 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.717 0.297 25411 3390 1 7 . 1 1 24 24 VAL CA C 24 61.668 61.668 62.778 -1.110 25411 3391 1 7 . 1 1 24 24 VAL CB C 24 32.372 32.372 29.200 3.172 25411 3392 1 7 . 1 1 24 24 VAL H H 24 7.333 7.333 7.523 -0.190 25411 3393 1 7 . 1 1 25 25 LYS N N 25 127.322 127.322 119.216 8.106 25411 3394 1 7 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.887 0.445 25411 3395 1 7 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.922 -2.160 25411 3396 1 7 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.417 0.344 25411 3397 1 7 . 1 1 25 25 LYS H H 25 8.722 8.722 8.307 0.415 25411 3398 1 7 . 1 1 26 26 VAL N N 26 120.568 120.568 119.828 0.740 25411 3399 1 7 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.184 -0.106 25411 3400 1 7 . 1 1 26 26 VAL CA C 26 60.665 60.665 60.735 -0.070 25411 3401 1 7 . 1 1 26 26 VAL CB C 26 33.647 33.647 34.024 -0.377 25411 3402 1 7 . 1 1 26 26 VAL H H 26 7.119 7.119 8.027 -0.908 25411 3403 1 7 . 1 1 27 27 LYS N N 27 125.675 125.675 126.016 -0.341 25411 3404 1 7 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.450 -0.124 25411 3405 1 7 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.521 -0.110 25411 3406 1 7 . 1 1 27 27 LYS CB C 27 31.959 31.959 36.163 -4.204 25411 3407 1 7 . 1 1 27 27 LYS H H 27 8.570 8.570 8.021 0.549 25411 3408 1 7 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.535 -0.518 25411 3409 1 7 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.849 -2.437 25411 3410 1 7 . 1 1 28 28 TYR CB C 28 40.840 40.840 39.210 1.630 25411 3411 1 7 . 1 1 29 29 ALA N N 29 120.743 120.743 128.127 -7.384 25411 3412 1 7 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.184 -0.516 25411 3413 1 7 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.110 -0.432 25411 3414 1 7 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.838 -0.838 25411 3415 1 7 . 1 1 29 29 ALA H H 29 8.323 8.323 8.830 -0.507 25411 3416 1 7 . 1 1 30 30 ASP N N 30 117.202 117.202 117.794 -0.592 25411 3417 1 7 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.360 -0.079 25411 3418 1 7 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.398 0.155 25411 3419 1 7 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.450 0.357 25411 3420 1 7 . 1 1 30 30 ASP H H 30 6.872 6.872 8.641 -1.769 25411 3421 1 7 . 1 1 31 31 LEU N N 31 122.273 122.273 120.136 2.137 25411 3422 1 7 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.442 -0.896 25411 3423 1 7 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.836 -0.111 25411 3424 1 7 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.207 -1.549 25411 3425 1 7 . 1 1 31 31 LEU H H 31 7.433 7.433 7.909 -0.476 25411 3426 1 7 . 1 1 32 32 LEU N N 32 123.376 123.376 118.399 4.977 25411 3427 1 7 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.163 -0.548 25411 3428 1 7 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.094 0.002 25411 3429 1 7 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.864 -1.323 25411 3430 1 7 . 1 1 32 32 LEU H H 32 8.727 8.727 7.893 0.834 25411 3431 1 7 . 1 1 33 33 LYS N N 33 118.078 118.078 121.116 -3.038 25411 3432 1 7 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.476 -0.263 25411 3433 1 7 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.361 -0.263 25411 3434 1 7 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.245 -0.355 25411 3435 1 7 . 1 1 33 33 LYS H H 33 7.149 7.149 7.556 -0.407 25411 3436 1 7 . 1 1 34 34 PHE N N 34 117.398 117.398 120.785 -3.387 25411 3437 1 7 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.122 -4.427 25411 3438 1 7 . 1 1 34 34 PHE CB C 34 41.219 41.219 38.997 2.222 25411 3439 1 7 . 1 1 34 34 PHE H H 34 7.633 7.633 8.240 -0.607 25411 3440 1 7 . 1 1 35 35 PHE HA H 35 3.793 3.793 3.897 -0.104 25411 3441 1 7 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.948 -0.356 25411 3442 1 7 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.432 -2.418 25411 3443 1 7 . 1 1 36 36 ASP N N 36 120.136 120.136 119.052 1.084 25411 3444 1 7 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.421 -0.325 25411 3445 1 7 . 1 1 36 36 ASP CA C 36 56.941 56.941 56.980 -0.039 25411 3446 1 7 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.323 -1.219 25411 3447 1 7 . 1 1 36 36 ASP H H 36 8.330 8.330 8.968 -0.638 25411 3448 1 7 . 1 1 37 37 PHE N N 37 121.883 121.883 120.848 1.035 25411 3449 1 7 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.504 -0.246 25411 3450 1 7 . 1 1 37 37 PHE CA C 37 59.698 59.698 60.813 -1.115 25411 3451 1 7 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.541 0.644 25411 3452 1 7 . 1 1 37 37 PHE H H 37 7.794 7.794 8.126 -0.332 25411 3453 1 7 . 1 1 38 38 VAL N N 38 118.525 118.525 118.773 -0.248 25411 3454 1 7 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.428 -0.389 25411 3455 1 7 . 1 1 38 38 VAL CA C 38 66.882 66.882 65.822 1.060 25411 3456 1 7 . 1 1 38 38 VAL CB C 38 30.688 30.688 30.922 -0.235 25411 3457 1 7 . 1 1 38 38 VAL H H 38 8.262 8.262 7.681 0.581 25411 3458 1 7 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.917 -0.461 25411 3459 1 7 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.174 -0.120 25411 3460 1 7 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.848 -0.152 25411 3461 1 7 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.685 -0.240 25411 3462 1 7 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.427 0.558 25411 3463 1 7 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.478 -0.786 25411 3464 1 7 . 1 1 41 41 ILE N N 41 120.641 120.641 119.968 0.673 25411 3465 1 7 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.024 0.001 25411 3466 1 7 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.762 -3.110 25411 3467 1 7 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.894 -0.830 25411 3468 1 7 . 1 1 41 41 ILE H H 41 8.788 8.788 7.841 0.947 25411 3469 1 7 . 1 1 42 42 CYS N N 42 117.896 117.896 117.033 0.863 25411 3470 1 7 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.643 0.529 25411 3471 1 7 . 1 1 42 42 CYS CB C 42 28.324 28.324 29.713 -1.389 25411 3472 1 7 . 1 1 42 42 CYS H H 42 7.180 7.180 7.584 -0.404 25411 3473 1 7 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.176 0.139 25411 3474 1 7 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.648 0.355 25411 3475 1 7 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.510 -0.795 25411 3476 1 7 . 1 1 44 44 TRP N N 44 113.823 113.823 116.327 -2.504 25411 3477 1 7 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.243 0.062 25411 3478 1 7 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.697 -2.299 25411 3479 1 7 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.308 -1.497 25411 3480 1 7 . 1 1 44 44 TRP H H 44 6.591 6.591 8.014 -1.423 25411 3481 1 7 . 1 1 45 45 PHE N N 45 123.100 123.100 116.009 7.091 25411 3482 1 7 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.003 -1.002 25411 3483 1 7 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.505 8.304 25411 3484 1 7 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.396 -3.461 25411 3485 1 7 . 1 1 45 45 PHE H H 45 7.239 7.239 7.584 -0.345 25411 3486 1 7 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.126 -0.114 25411 3487 1 7 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.929 -0.398 25411 3488 1 7 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.553 -1.067 25411 3489 1 7 . 1 1 47 47 GLN N N 47 114.502 114.502 117.505 -3.003 25411 3490 1 7 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.039 -0.102 25411 3491 1 7 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.316 0.088 25411 3492 1 7 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.132 1.188 25411 3493 1 7 . 1 1 47 47 GLN H H 47 6.518 6.518 8.613 -2.095 25411 3494 1 7 . 1 1 48 48 GLU N N 48 117.358 117.358 118.433 -1.075 25411 3495 1 7 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.128 -0.090 25411 3496 1 7 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.875 1.297 25411 3497 1 7 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.133 -1.179 25411 3498 1 7 . 1 1 48 48 GLU H H 48 7.318 7.318 7.931 -0.613 25411 3499 1 7 . 1 1 49 49 GLY N N 49 105.534 105.534 108.171 -2.637 25411 3500 1 7 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.413 1.890 25411 3501 1 7 . 1 1 49 49 GLY H H 49 7.296 7.296 7.550 -0.254 25411 3502 1 7 . 1 1 50 50 THR N N 50 114.069 114.069 112.828 1.241 25411 3503 1 7 . 1 1 50 50 THR HA H 50 4.234 4.234 4.392 -0.158 25411 3504 1 7 . 1 1 50 50 THR CA C 50 61.683 61.683 60.257 1.426 25411 3505 1 7 . 1 1 50 50 THR CB C 50 70.718 70.718 70.639 0.079 25411 3506 1 7 . 1 1 50 50 THR H H 50 7.597 7.597 7.564 0.033 25411 3507 1 7 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.082 0.043 25411 3508 1 7 . 1 1 51 51 ILE CA C 51 59.870 59.870 60.394 -0.524 25411 3509 1 7 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.130 -3.842 25411 3510 1 7 . 1 1 52 52 ASP N N 52 121.791 121.791 128.222 -6.431 25411 3511 1 7 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.780 -0.157 25411 3512 1 7 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.960 -1.228 25411 3513 1 7 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.226 -1.765 25411 3514 1 7 . 1 1 52 52 ASP H H 52 7.168 7.168 8.200 -1.032 25411 3515 1 7 . 1 1 53 53 ILE N N 53 119.537 119.537 119.976 -0.439 25411 3516 1 7 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.404 -0.269 25411 3517 1 7 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.158 -0.362 25411 3518 1 7 . 1 1 53 53 ILE CB C 53 37.815 37.815 40.055 -2.240 25411 3519 1 7 . 1 1 53 53 ILE H H 53 8.336 8.336 8.275 0.061 25411 3520 1 7 . 1 1 54 54 LYS N N 54 123.592 123.592 121.989 1.603 25411 3521 1 7 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.212 -0.107 25411 3522 1 7 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.218 -0.246 25411 3523 1 7 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.264 -0.516 25411 3524 1 7 . 1 1 54 54 LYS H H 54 8.104 8.104 8.169 -0.065 25411 3525 1 7 . 1 1 55 55 ARG N N 55 120.511 120.511 119.083 1.428 25411 3526 1 7 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.092 0.209 25411 3527 1 7 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.598 0.305 25411 3528 1 7 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.275 -0.219 25411 3529 1 7 . 1 1 55 55 ARG H H 55 9.196 9.196 8.773 0.423 25411 3530 1 7 . 1 1 56 56 TRP N N 56 120.681 120.681 121.087 -0.406 25411 3531 1 7 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.448 0.255 25411 3532 1 7 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.758 -1.351 25411 3533 1 7 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.190 0.824 25411 3534 1 7 . 1 1 56 56 TRP H H 56 8.899 8.899 8.122 0.777 25411 3535 1 7 . 1 1 57 57 ARG N N 57 122.115 122.115 119.049 3.066 25411 3536 1 7 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.793 0.614 25411 3537 1 7 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.750 0.277 25411 3538 1 7 . 1 1 57 57 ARG CB C 57 29.786 29.786 30.035 -0.249 25411 3539 1 7 . 1 1 57 57 ARG H H 57 9.210 9.210 8.405 0.805 25411 3540 1 7 . 1 1 58 58 ARG N N 58 120.918 120.918 119.242 1.676 25411 3541 1 7 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.756 0.089 25411 3542 1 7 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.217 -0.488 25411 3543 1 7 . 1 1 58 58 ARG H H 58 7.640 7.640 7.759 -0.119 25411 3544 1 7 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.661 0.103 25411 3545 1 7 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.176 0.824 25411 3546 1 7 . 1 1 59 59 VAL CB C 59 30.832 30.832 30.981 -0.149 25411 3547 1 7 . 1 1 59 59 VAL H H 59 7.916 7.916 7.603 0.313 25411 3548 1 7 . 1 1 60 60 GLY N N 60 106.856 106.856 107.716 -0.860 25411 3549 1 7 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.118 -1.037 25411 3550 1 7 . 1 1 60 60 GLY H H 60 7.623 7.623 8.292 -0.669 25411 3551 1 7 . 1 1 61 61 ASP N N 61 123.308 123.308 122.250 1.058 25411 3552 1 7 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.473 -0.248 25411 3553 1 7 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.984 -0.184 25411 3554 1 7 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.690 -1.206 25411 3555 1 7 . 1 1 61 61 ASP H H 61 8.203 8.203 8.059 0.144 25411 3556 1 7 . 1 1 62 62 CYS N N 62 120.841 120.841 118.461 2.380 25411 3557 1 7 . 1 1 62 62 CYS HA H 62 4.238 4.238 3.981 0.257 25411 3558 1 7 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.056 -1.106 25411 3559 1 7 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.675 -0.172 25411 3560 1 7 . 1 1 62 62 CYS H H 62 7.795 7.795 7.424 0.371 25411 3561 1 7 . 1 1 63 63 PHE N N 63 119.763 119.763 118.510 1.253 25411 3562 1 7 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.259 0.019 25411 3563 1 7 . 1 1 63 63 PHE CA C 63 58.657 58.657 60.936 -2.279 25411 3564 1 7 . 1 1 63 63 PHE CB C 63 36.990 36.990 37.995 -1.005 25411 3565 1 7 . 1 1 63 63 PHE H H 63 8.647 8.647 7.521 1.125 25411 3566 1 7 . 1 1 64 64 GLN N N 64 118.578 118.578 119.832 -1.254 25411 3567 1 7 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.138 0.170 25411 3568 1 7 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.822 0.511 25411 3569 1 7 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.560 0.019 25411 3570 1 7 . 1 1 64 64 GLN H H 64 8.261 8.261 8.377 -0.116 25411 3571 1 7 . 1 1 65 65 ASP N N 65 119.534 119.534 121.702 -2.168 25411 3572 1 7 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.389 0.095 25411 3573 1 7 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.004 0.325 25411 3574 1 7 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.929 -1.258 25411 3575 1 7 . 1 1 65 65 ASP H H 65 8.338 8.338 8.538 -0.200 25411 3576 1 7 . 1 1 66 66 TYR N N 66 123.600 123.600 122.128 1.472 25411 3577 1 7 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.921 0.581 25411 3578 1 7 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.164 -0.933 25411 3579 1 7 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.547 -0.114 25411 3580 1 7 . 1 1 66 66 TYR H H 66 7.804 7.804 8.250 -0.446 25411 3581 1 7 . 1 1 67 67 TYR N N 67 122.825 122.825 117.985 4.840 25411 3582 1 7 . 1 1 67 67 TYR HA H 67 3.997 3.997 4.192 -0.195 25411 3583 1 7 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.570 0.333 25411 3584 1 7 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.630 0.316 25411 3585 1 7 . 1 1 67 67 TYR H H 67 9.100 9.100 8.211 0.889 25411 3586 1 7 . 1 1 68 68 ASN N N 68 118.826 118.826 116.846 1.980 25411 3587 1 7 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.309 -0.026 25411 3588 1 7 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.924 -0.492 25411 3589 1 7 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.267 -0.391 25411 3590 1 7 . 1 1 68 68 ASN H H 68 8.853 8.853 8.563 0.290 25411 3591 1 7 . 1 1 69 69 THR N N 69 114.242 114.242 115.420 -1.178 25411 3592 1 7 . 1 1 69 69 THR HA H 69 3.837 3.837 4.027 -0.190 25411 3593 1 7 . 1 1 69 69 THR CA C 69 65.328 65.328 65.436 -0.108 25411 3594 1 7 . 1 1 69 69 THR CB C 69 69.249 69.249 67.966 1.283 25411 3595 1 7 . 1 1 69 69 THR H H 69 7.847 7.847 8.077 -0.230 25411 3596 1 7 . 1 1 70 70 PHE N N 70 117.970 117.970 118.578 -0.608 25411 3597 1 7 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.370 0.194 25411 3598 1 7 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.928 0.314 25411 3599 1 7 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.274 2.800 25411 3600 1 7 . 1 1 70 70 PHE H H 70 8.489 8.489 7.151 1.338 25411 3601 1 7 . 1 1 71 71 GLY N N 71 109.516 109.516 108.055 1.461 25411 3602 1 7 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.904 0.128 25411 3603 1 7 . 1 1 71 71 GLY H H 71 7.968 7.968 7.593 0.375 25411 3604 1 7 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.431 0.280 25411 3605 1 7 . 1 1 72 72 PRO CA C 72 63.297 63.297 61.998 1.299 25411 3606 1 7 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.139 0.605 25411 3607 1 7 . 1 1 73 73 GLU N N 73 117.720 117.720 125.603 -7.883 25411 3608 1 7 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.109 -0.210 25411 3609 1 7 . 1 1 73 73 GLU CA C 73 58.736 58.736 57.985 0.751 25411 3610 1 7 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.479 -0.615 25411 3611 1 7 . 1 1 73 73 GLU H H 73 8.586 8.586 8.273 0.313 25411 3612 1 7 . 1 1 74 74 LYS N N 74 116.974 116.974 119.237 -2.263 25411 3613 1 7 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.289 0.100 25411 3614 1 7 . 1 1 74 74 LYS CA C 74 55.185 55.185 55.290 -0.105 25411 3615 1 7 . 1 1 74 74 LYS CB C 74 34.087 34.087 31.024 3.063 25411 3616 1 7 . 1 1 74 74 LYS H H 74 7.505 7.505 8.064 -0.559 25411 3617 1 7 . 1 1 75 75 VAL N N 75 117.309 117.309 123.492 -6.183 25411 3618 1 7 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.094 0.219 25411 3619 1 7 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.409 1.636 25411 3620 1 7 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.070 -0.086 25411 3621 1 7 . 1 1 75 75 VAL H H 75 7.402 7.402 7.320 0.082 25411 3622 1 7 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.585 -0.023 25411 3623 1 7 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.579 -0.892 25411 3624 1 7 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.493 -0.762 25411 3625 1 7 . 1 1 77 77 VAL N N 77 120.870 120.870 121.506 -0.636 25411 3626 1 7 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.214 -0.386 25411 3627 1 7 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.147 1.691 25411 3628 1 7 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.833 -0.446 25411 3629 1 7 . 1 1 77 77 VAL H H 77 8.473 8.473 8.764 -0.291 25411 3630 1 7 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.910 -0.058 25411 3631 1 7 . 1 1 78 78 ILE CA C 78 61.125 61.125 63.796 -2.671 25411 3632 1 7 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.806 0.329 25411 3633 1 7 . 1 1 78 78 ILE H H 78 8.388 8.388 8.004 0.384 25411 3634 1 7 . 1 1 79 79 ALA N N 79 123.960 123.960 124.191 -0.231 25411 3635 1 7 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.006 -0.116 25411 3636 1 7 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.734 0.155 25411 3637 1 7 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.162 -0.539 25411 3638 1 7 . 1 1 79 79 ALA H H 79 7.953 7.953 7.971 -0.018 25411 3639 1 7 . 1 1 80 80 PHE N N 80 114.330 114.330 114.473 -0.143 25411 3640 1 7 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.491 -0.060 25411 3641 1 7 . 1 1 80 80 PHE CA C 80 61.312 61.312 60.016 1.296 25411 3642 1 7 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.343 -1.687 25411 3643 1 7 . 1 1 80 80 PHE H H 80 7.499 7.499 8.021 -0.522 25411 3644 1 7 . 1 1 81 81 SER N N 81 115.971 115.971 113.907 2.064 25411 3645 1 7 . 1 1 81 81 SER HA H 81 4.206 4.206 4.383 -0.177 25411 3646 1 7 . 1 1 81 81 SER CA C 81 58.432 58.432 59.181 -0.749 25411 3647 1 7 . 1 1 81 81 SER CB C 81 63.575 63.575 63.617 -0.042 25411 3648 1 7 . 1 1 81 81 SER H H 81 8.225 8.225 7.490 0.735 25411 3649 1 7 . 1 1 82 82 TYR N N 82 121.997 121.997 123.204 -1.207 25411 3650 1 7 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.359 0.088 25411 3651 1 7 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.438 -4.553 25411 3652 1 7 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.750 -0.912 25411 3653 1 7 . 1 1 82 82 TYR H H 82 8.378 8.378 7.662 0.716 25411 3654 1 7 . 1 1 83 83 TRP N N 83 120.268 120.268 121.410 -1.142 25411 3655 1 7 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.271 -4.878 25411 3656 1 7 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.905 -1.011 25411 3657 1 7 . 1 1 83 83 TRP H H 83 8.546 8.546 9.211 -0.665 25411 3658 1 7 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.331 -0.111 25411 3659 1 7 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.371 0.258 25411 3660 1 7 . 1 1 84 84 ASN CB C 84 39.065 39.065 38.019 1.046 25411 3661 1 7 . 1 1 85 85 LEU HA H 85 4.046 4.046 3.935 0.111 25411 3662 1 7 . 1 1 85 85 LEU CA C 85 58.142 58.142 56.927 1.215 25411 3663 1 7 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.659 0.033 25411 3664 1 7 . 1 1 86 86 ILE N N 86 117.000 117.000 120.074 -3.074 25411 3665 1 7 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.372 0.074 25411 3666 1 7 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.334 -2.051 25411 3667 1 7 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.801 -1.389 25411 3668 1 7 . 1 1 86 86 ILE H H 86 7.882 7.882 7.516 0.366 25411 3669 1 7 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.702 -0.476 25411 3670 1 7 . 1 1 87 87 LYS CA C 87 59.996 59.996 58.872 1.124 25411 3671 1 7 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.541 -0.492 25411 3672 1 7 . 1 1 88 88 GLU N N 88 116.404 116.404 117.658 -1.254 25411 3673 1 7 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.322 -0.475 25411 3674 1 7 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.258 0.652 25411 3675 1 7 . 1 1 88 88 GLU CB C 88 28.969 28.969 28.943 0.026 25411 3676 1 7 . 1 1 88 88 GLU H H 88 7.689 7.689 7.603 0.086 25411 3677 1 7 . 1 1 89 89 LEU N N 89 118.193 118.193 120.966 -2.773 25411 3678 1 7 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.095 -0.206 25411 3679 1 7 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.829 1.134 25411 3680 1 7 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.074 -0.774 25411 3681 1 7 . 1 1 89 89 LEU H H 89 7.415 7.415 7.561 -0.146 25411 3682 1 7 . 1 1 90 90 ILE N N 90 115.471 115.471 120.007 -4.536 25411 3683 1 7 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.660 -0.242 25411 3684 1 7 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.070 0.838 25411 3685 1 7 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.616 -0.022 25411 3686 1 7 . 1 1 90 90 ILE H H 90 7.718 7.718 7.582 0.136 25411 3687 1 7 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.432 -0.712 25411 3688 1 7 . 1 1 91 91 ASP CA C 91 57.664 57.664 57.100 0.564 25411 3689 1 7 . 1 1 91 91 ASP CB C 91 40.532 40.532 39.949 0.583 25411 3690 1 7 . 1 1 92 92 LYS N N 92 119.253 119.253 118.990 0.263 25411 3691 1 7 . 1 1 92 92 LYS CA C 92 58.897 58.897 57.003 1.894 25411 3692 1 7 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.047 -0.059 25411 3693 1 7 . 1 1 92 92 LYS H H 92 7.869 7.869 7.530 0.339 25411 3694 1 7 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.941 0.590 25411 3695 1 7 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.977 -3.719 25411 3696 1 7 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.048 0.121 25411 3697 1 7 . 1 1 94 94 GLU N N 94 116.729 116.729 118.928 -2.199 25411 3698 1 7 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.046 0.087 25411 3699 1 7 . 1 1 94 94 GLU CA C 94 59.319 59.319 58.726 0.593 25411 3700 1 7 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.433 -2.058 25411 3701 1 7 . 1 1 94 94 GLU H H 94 8.393 8.393 7.895 0.498 25411 3702 1 7 . 1 1 95 95 VAL N N 95 121.696 121.696 119.442 2.254 25411 3703 1 7 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.845 0.637 25411 3704 1 7 . 1 1 95 95 VAL CA C 95 66.721 66.721 64.739 1.982 25411 3705 1 7 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.776 1.118 25411 3706 1 7 . 1 1 95 95 VAL H H 95 7.923 7.923 8.070 -0.147 25411 3707 1 7 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.636 -0.278 25411 3708 1 7 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.019 0.588 25411 3709 1 7 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.778 -0.904 25411 3710 1 7 . 1 1 98 98 GLN N N 98 117.731 117.731 120.464 -2.733 25411 3711 1 7 . 1 1 98 98 GLN HA H 98 3.925 3.925 3.954 -0.029 25411 3712 1 7 . 1 1 98 98 GLN CA C 98 58.608 58.608 59.362 -0.754 25411 3713 1 7 . 1 1 98 98 GLN CB C 98 28.521 28.521 28.257 0.264 25411 3714 1 7 . 1 1 98 98 GLN H H 98 8.359 8.359 8.906 -0.547 25411 3715 1 7 . 1 1 99 99 VAL N N 99 121.326 121.326 117.470 3.856 25411 3716 1 7 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.781 -0.361 25411 3717 1 7 . 1 1 99 99 VAL CA C 99 66.404 66.404 64.940 1.464 25411 3718 1 7 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.300 0.319 25411 3719 1 7 . 1 1 99 99 VAL H H 99 7.901 7.901 8.090 -0.189 25411 3720 1 7 . 1 1 100 100 MET N N 100 120.447 120.447 117.950 2.497 25411 3721 1 7 . 1 1 100 100 MET HA H 100 3.812 3.812 4.259 -0.447 25411 3722 1 7 . 1 1 100 100 MET CA C 100 59.297 59.297 57.714 1.583 25411 3723 1 7 . 1 1 100 100 MET CB C 100 32.099 32.099 33.536 -1.437 25411 3724 1 7 . 1 1 100 100 MET H H 100 7.509 7.509 7.518 -0.009 25411 3725 1 7 . 1 1 101 101 ALA N N 101 119.458 119.458 121.761 -2.303 25411 3726 1 7 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.099 0.111 25411 3727 1 7 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.824 -0.072 25411 3728 1 7 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.201 -0.680 25411 3729 1 7 . 1 1 101 101 ALA H H 101 7.889 7.889 7.621 0.268 25411 3730 1 7 . 1 1 102 102 ALA N N 102 119.627 119.627 120.540 -0.913 25411 3731 1 7 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.120 -0.127 25411 3732 1 7 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.499 0.389 25411 3733 1 7 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.321 -0.977 25411 3734 1 7 . 1 1 102 102 ALA H H 102 7.563 7.563 8.304 -0.741 25411 3735 1 7 . 1 1 103 103 VAL N N 103 122.690 122.690 117.750 4.940 25411 3736 1 7 . 1 1 103 103 VAL HA H 103 4.073 4.073 4.150 -0.077 25411 3737 1 7 . 1 1 103 103 VAL CA C 103 61.685 61.685 64.026 -2.341 25411 3738 1 7 . 1 1 103 103 VAL CB C 103 33.222 33.222 32.358 0.863 25411 3739 1 7 . 1 1 103 103 VAL H H 103 8.828 8.828 7.908 0.920 25411 3740 1 7 . 1 1 104 104 ALA N N 104 128.041 128.041 119.890 8.151 25411 3741 1 7 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.420 -0.151 25411 3742 1 7 . 1 1 104 104 ALA CA C 104 52.141 52.141 52.867 -0.726 25411 3743 1 7 . 1 1 104 104 ALA CB C 104 18.940 18.940 17.468 1.472 25411 3744 1 7 . 1 1 104 104 ALA H H 104 8.367 8.367 7.477 0.890 25411 3745 1 7 . 1 1 105 105 GLN N N 105 120.265 120.265 115.931 4.334 25411 3746 1 7 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.471 0.460 25411 3747 1 7 . 1 1 105 105 GLN CB C 105 29.020 29.020 30.818 -1.798 25411 3748 1 7 . 1 1 105 105 GLN H H 105 8.356 8.356 7.443 0.913 25411 3749 1 7 . 1 1 106 106 THR HA H 106 4.320 4.320 4.114 0.206 25411 3750 1 7 . 1 1 106 106 THR CA C 106 61.346 61.346 63.911 -2.565 25411 3751 1 7 . 1 1 106 106 THR CB C 106 69.293 69.293 69.468 -0.175 25411 3752 1 7 . 1 1 107 107 GLU N N 107 122.706 122.706 117.007 5.699 25411 3753 1 7 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.012 0.170 25411 3754 1 7 . 1 1 107 107 GLU CA C 107 56.576 56.576 56.895 -0.319 25411 3755 1 7 . 1 1 107 107 GLU CB C 107 29.936 29.936 29.449 0.487 25411 3756 1 7 . 1 1 107 107 GLU H H 107 8.404 8.404 7.798 0.606 25411 3757 1 7 . 1 1 108 108 GLU N N 108 122.034 122.034 121.843 0.191 25411 3758 1 7 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.277 -0.116 25411 3759 1 7 . 1 1 108 108 GLU CA C 108 56.649 56.649 56.641 0.008 25411 3760 1 7 . 1 1 108 108 GLU CB C 108 29.676 29.676 30.504 -0.828 25411 3761 1 7 . 1 1 108 108 GLU H H 108 7.341 7.341 8.368 -1.027 25411 3762 1 7 . 1 1 109 109 ILE N N 109 122.151 122.151 117.022 5.129 25411 3763 1 7 . 1 1 109 109 ILE HA H 109 4.047 4.047 3.945 0.102 25411 3764 1 7 . 1 1 109 109 ILE CA C 109 61.565 61.565 63.441 -1.877 25411 3765 1 7 . 1 1 109 109 ILE CB C 109 38.104 38.104 37.368 0.736 25411 3766 1 7 . 1 1 109 109 ILE H H 109 8.058 8.058 8.656 -0.598 25411 3767 1 7 . 1 1 110 110 LEU N N 110 122.427 122.427 119.660 2.767 25411 3768 1 7 . 1 1 110 110 LEU HA H 110 4.276 4.276 3.999 0.277 25411 3769 1 7 . 1 1 110 110 LEU CA C 110 55.151 55.151 55.794 -0.643 25411 3770 1 7 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.698 -8.443 25411 3771 1 7 . 1 1 110 110 LEU H H 110 8.194 8.194 7.587 0.607 25411 3772 1 7 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.064 0.183 25411 3773 1 7 . 1 1 111 111 LYS CA C 111 56.137 56.137 58.158 -2.021 25411 3774 1 7 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.842 -0.273 25411 3775 1 7 . 1 1 112 112 SER N N 112 116.453 116.453 112.767 3.686 25411 3776 1 7 . 1 1 112 112 SER HA H 112 4.175 4.175 4.013 0.162 25411 3777 1 7 . 1 1 112 112 SER CA C 112 58.311 58.311 58.561 -0.250 25411 3778 1 7 . 1 1 112 112 SER CB C 112 63.441 63.441 61.795 1.646 25411 3779 1 7 . 1 1 112 112 SER H H 112 8.204 8.204 8.182 0.022 25411 3780 1 7 . 1 1 113 113 ASN N N 113 119.747 119.747 114.700 5.047 25411 3781 1 7 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.469 0.175 25411 3782 1 7 . 1 1 113 113 ASN CA C 113 53.645 53.645 54.312 -0.667 25411 3783 1 7 . 1 1 113 113 ASN CB C 113 38.646 38.646 38.145 0.501 25411 3784 1 7 . 1 1 113 113 ASN H H 113 7.944 7.944 8.576 -0.632 25411 3785 1 7 . 1 1 114 114 SER N N 114 115.433 115.433 114.495 0.938 25411 3786 1 7 . 1 1 114 114 SER HA H 114 4.336 4.336 4.681 -0.345 25411 3787 1 7 . 1 1 114 114 SER CA C 114 58.711 58.711 57.297 1.413 25411 3788 1 7 . 1 1 114 114 SER CB C 114 63.308 63.308 63.222 0.085 25411 3789 1 7 . 1 1 114 114 SER H H 114 7.962 7.962 8.167 -0.205 25411 3790 1 7 . 1 1 115 115 GLN N N 115 121.682 121.682 117.549 4.133 25411 3791 1 7 . 1 1 115 115 GLN HA H 115 4.274 4.274 3.880 0.394 25411 3792 1 7 . 1 1 115 115 GLN CA C 115 56.193 56.193 58.506 -2.313 25411 3793 1 7 . 1 1 115 115 GLN CB C 115 28.807 28.807 28.024 0.783 25411 3794 1 7 . 1 1 115 115 GLN H H 115 8.207 8.207 8.771 -0.564 25411 3795 1 7 . 1 1 116 116 THR N N 116 114.715 114.715 106.311 8.404 25411 3796 1 7 . 1 1 116 116 THR HA H 116 4.225 4.225 5.064 -0.839 25411 3797 1 7 . 1 1 116 116 THR CA C 116 62.109 62.109 59.632 2.477 25411 3798 1 7 . 1 1 116 116 THR CB C 116 69.336 69.336 72.267 -2.931 25411 3799 1 7 . 1 1 116 116 THR H H 116 8.062 8.062 7.426 0.636 25411 3800 1 7 . 1 1 117 117 ASP N N 117 122.602 122.602 122.948 -0.346 25411 3801 1 7 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.684 -0.116 25411 3802 1 7 . 1 1 117 117 ASP CA C 117 54.204 54.204 55.901 -1.697 25411 3803 1 7 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.046 0.619 25411 3804 1 7 . 1 1 117 117 ASP H H 117 8.065 8.065 8.742 -0.677 25411 3805 1 7 . 1 1 118 118 LEU N N 118 122.140 122.140 119.083 3.057 25411 3806 1 7 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.243 -0.088 25411 3807 1 7 . 1 1 118 118 LEU CA C 118 55.423 55.423 54.553 0.870 25411 3808 1 7 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.507 0.366 25411 3809 1 7 . 1 1 118 118 LEU H H 118 8.085 8.085 7.482 0.603 25411 3810 1 7 . 1 1 119 119 GLU N N 119 119.672 119.672 115.930 3.742 25411 3811 1 7 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.815 0.253 25411 3812 1 7 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.457 -0.892 25411 3813 1 7 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.170 2.402 25411 3814 1 7 . 1 1 119 119 GLU H H 119 8.143 8.143 7.472 0.671 25411 3815 1 7 . 1 1 120 120 HIS N N 120 118.301 118.301 117.900 0.401 25411 3816 1 7 . 1 1 120 120 HIS CA C 120 55.883 55.883 59.252 -3.369 25411 3817 1 7 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.559 -0.289 25411 3818 1 7 . 1 1 120 120 HIS H H 120 8.107 8.107 7.509 0.598 25411 3819 1 7 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.822 -0.814 25411 3820 1 7 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.631 -0.465 25411 3821 1 7 . 1 1 121 121 HIS CB C 121 28.759 28.759 29.134 -0.375 25411 3822 1 7 . 1 1 122 122 HIS N N 122 122.407 122.407 119.042 3.365 25411 3823 1 7 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.897 -0.679 25411 3824 1 7 . 1 1 122 122 HIS CA C 122 56.081 56.081 55.204 0.877 25411 3825 1 7 . 1 1 122 122 HIS CB C 122 29.371 29.371 31.713 -2.342 25411 3826 1 7 . 1 1 122 122 HIS H H 122 8.489 8.489 8.287 0.202 25411 3827 1 7 . 1 1 123 123 HIS N N 123 122.868 122.868 120.842 2.026 25411 3828 1 7 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.480 -0.093 25411 3829 1 7 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.265 0.045 25411 3830 1 7 . 1 1 123 123 HIS CB C 123 29.502 29.502 28.895 0.607 25411 3831 1 7 . 1 1 123 123 HIS H H 123 8.596 8.596 8.888 -0.292 25411 3832 1 7 . 1 1 124 124 HIS N N 124 123.734 123.734 123.545 0.189 25411 3833 1 7 . 1 1 124 124 HIS HA H 124 4.557 4.557 5.223 -0.666 25411 3834 1 7 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.407 0.978 25411 3835 1 7 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.526 0.831 25411 3836 1 7 . 1 1 124 124 HIS H H 124 8.255 8.255 8.240 0.015 25411 3837 1 8 . 1 1 3 3 GLN N N 3 122.360 122.360 120.712 1.648 25411 3838 1 8 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.298 -0.410 25411 3839 1 8 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.714 2.028 25411 3840 1 8 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.422 -0.039 25411 3841 1 8 . 1 1 3 3 GLN H H 3 9.398 9.398 8.726 0.672 25411 3842 1 8 . 1 1 4 4 GLU N N 4 119.689 119.689 119.947 -0.258 25411 3843 1 8 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.122 0.552 25411 3844 1 8 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.656 0.151 25411 3845 1 8 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.982 -0.282 25411 3846 1 8 . 1 1 4 4 GLU H H 4 7.464 7.464 8.803 -1.339 25411 3847 1 8 . 1 1 5 5 LEU N N 5 114.872 114.872 122.071 -7.199 25411 3848 1 8 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.069 -0.368 25411 3849 1 8 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.043 -0.305 25411 3850 1 8 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.978 -1.163 25411 3851 1 8 . 1 1 5 5 LEU H H 5 8.206 8.206 7.631 0.575 25411 3852 1 8 . 1 1 6 6 SER N N 6 109.762 109.762 113.193 -3.431 25411 3853 1 8 . 1 1 6 6 SER HA H 6 4.092 4.092 4.093 -0.001 25411 3854 1 8 . 1 1 6 6 SER CA C 6 60.415 60.415 61.782 -1.367 25411 3855 1 8 . 1 1 6 6 SER CB C 6 63.391 63.391 62.465 0.926 25411 3856 1 8 . 1 1 6 6 SER H H 6 8.253 8.253 7.939 0.314 25411 3857 1 8 . 1 1 7 7 GLN N N 7 117.498 117.498 122.940 -5.442 25411 3858 1 8 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.117 -0.162 25411 3859 1 8 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.550 -0.125 25411 3860 1 8 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.382 0.357 25411 3861 1 8 . 1 1 7 7 GLN H H 7 8.673 8.673 7.761 0.911 25411 3862 1 8 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.262 -0.465 25411 3863 1 8 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.953 -0.898 25411 3864 1 8 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.008 -0.899 25411 3865 1 8 . 1 1 9 9 GLU N N 9 120.354 120.354 119.305 1.049 25411 3866 1 8 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.145 -0.186 25411 3867 1 8 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.312 0.945 25411 3868 1 8 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.796 -0.569 25411 3869 1 8 . 1 1 9 9 GLU H H 9 7.690 7.690 8.427 -0.737 25411 3870 1 8 . 1 1 10 10 ARG N N 10 118.753 118.753 120.029 -1.276 25411 3871 1 8 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.101 -0.002 25411 3872 1 8 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.544 -1.323 25411 3873 1 8 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.331 -1.236 25411 3874 1 8 . 1 1 10 10 ARG H H 10 8.928 8.928 7.939 0.989 25411 3875 1 8 . 1 1 11 11 TYR N N 11 121.288 121.288 119.131 2.157 25411 3876 1 8 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.289 -0.100 25411 3877 1 8 . 1 1 11 11 TYR CA C 11 61.236 61.236 61.772 -0.536 25411 3878 1 8 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.213 -0.352 25411 3879 1 8 . 1 1 11 11 TYR H H 11 7.562 7.562 8.873 -1.311 25411 3880 1 8 . 1 1 12 12 VAL N N 12 119.304 119.304 119.729 -0.425 25411 3881 1 8 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.714 -0.631 25411 3882 1 8 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.867 -0.032 25411 3883 1 8 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.808 -0.709 25411 3884 1 8 . 1 1 12 12 VAL H H 12 8.075 8.075 8.016 0.059 25411 3885 1 8 . 1 1 13 13 GLU N N 13 119.685 119.685 120.049 -0.364 25411 3886 1 8 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.029 0.126 25411 3887 1 8 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.518 -0.093 25411 3888 1 8 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.367 -0.179 25411 3889 1 8 . 1 1 13 13 GLU H H 13 8.278 8.278 7.982 0.296 25411 3890 1 8 . 1 1 14 14 GLN N N 14 119.682 119.682 120.107 -0.425 25411 3891 1 8 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.045 -0.389 25411 3892 1 8 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.838 1.131 25411 3893 1 8 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.256 1.417 25411 3894 1 8 . 1 1 14 14 GLN H H 14 7.653 7.653 8.318 -0.665 25411 3895 1 8 . 1 1 15 15 LEU N N 15 121.000 121.000 119.547 1.453 25411 3896 1 8 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.045 -0.124 25411 3897 1 8 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.389 1.066 25411 3898 1 8 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.178 -0.418 25411 3899 1 8 . 1 1 15 15 LEU H H 15 8.402 8.402 8.539 -0.137 25411 3900 1 8 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.835 -0.139 25411 3901 1 8 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.387 -0.129 25411 3902 1 8 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.302 -0.167 25411 3903 1 8 . 1 1 17 17 GLN N N 17 117.558 117.558 118.333 -0.775 25411 3904 1 8 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.054 -0.167 25411 3905 1 8 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.661 -0.219 25411 3906 1 8 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.699 -0.654 25411 3907 1 8 . 1 1 17 17 GLN H H 17 7.849 7.849 8.103 -0.254 25411 3908 1 8 . 1 1 18 18 ALA N N 18 120.288 120.288 123.166 -2.878 25411 3909 1 8 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.133 -0.345 25411 3910 1 8 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.850 0.043 25411 3911 1 8 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.579 -1.183 25411 3912 1 8 . 1 1 18 18 ALA H H 18 8.504 8.504 8.252 0.252 25411 3913 1 8 . 1 1 19 19 LEU N N 19 116.974 116.974 118.512 -1.538 25411 3914 1 8 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.034 -0.275 25411 3915 1 8 . 1 1 19 19 LEU CA C 19 57.552 57.552 57.007 0.545 25411 3916 1 8 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.751 -1.058 25411 3917 1 8 . 1 1 19 19 LEU H H 19 8.143 8.143 8.476 -0.333 25411 3918 1 8 . 1 1 20 20 LYS N N 20 117.776 117.776 121.422 -3.646 25411 3919 1 8 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.019 -0.064 25411 3920 1 8 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.680 -0.136 25411 3921 1 8 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.440 -1.954 25411 3922 1 8 . 1 1 20 20 LYS H H 20 8.340 8.340 8.103 0.237 25411 3923 1 8 . 1 1 21 21 THR N N 21 116.373 116.373 111.569 4.804 25411 3924 1 8 . 1 1 21 21 THR HA H 21 4.107 4.107 4.247 -0.140 25411 3925 1 8 . 1 1 21 21 THR CA C 21 64.611 64.611 64.380 0.231 25411 3926 1 8 . 1 1 21 21 THR CB C 21 68.811 68.811 68.567 0.244 25411 3927 1 8 . 1 1 21 21 THR H H 21 7.302 7.302 7.823 -0.521 25411 3928 1 8 . 1 1 22 22 ARG N N 22 118.647 118.647 121.280 -2.633 25411 3929 1 8 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.472 -0.110 25411 3930 1 8 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.524 -1.459 25411 3931 1 8 . 1 1 22 22 ARG CB C 22 29.528 29.528 30.938 -1.410 25411 3932 1 8 . 1 1 22 22 ARG H H 22 7.290 7.290 7.472 -0.182 25411 3933 1 8 . 1 1 23 23 GLY N N 23 108.637 108.637 107.887 0.750 25411 3934 1 8 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.668 0.444 25411 3935 1 8 . 1 1 23 23 GLY H H 23 7.881 7.881 7.588 0.293 25411 3936 1 8 . 1 1 24 24 VAL N N 24 117.390 117.390 117.091 0.299 25411 3937 1 8 . 1 1 24 24 VAL HA H 24 4.014 4.014 4.209 -0.195 25411 3938 1 8 . 1 1 24 24 VAL CA C 24 61.668 61.668 62.114 -0.446 25411 3939 1 8 . 1 1 24 24 VAL CB C 24 32.372 32.372 32.346 0.026 25411 3940 1 8 . 1 1 24 24 VAL H H 24 7.333 7.333 7.525 -0.192 25411 3941 1 8 . 1 1 25 25 LYS N N 25 127.322 127.322 117.559 9.763 25411 3942 1 8 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.915 0.417 25411 3943 1 8 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.209 -1.447 25411 3944 1 8 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.643 0.117 25411 3945 1 8 . 1 1 25 25 LYS H H 25 8.722 8.722 7.846 0.876 25411 3946 1 8 . 1 1 26 26 VAL N N 26 120.568 120.568 120.415 0.153 25411 3947 1 8 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.235 -0.157 25411 3948 1 8 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.171 -0.506 25411 3949 1 8 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.235 0.412 25411 3950 1 8 . 1 1 26 26 VAL H H 26 7.119 7.119 8.228 -1.109 25411 3951 1 8 . 1 1 27 27 LYS N N 27 125.675 125.675 124.398 1.277 25411 3952 1 8 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.424 -0.098 25411 3953 1 8 . 1 1 27 27 LYS CA C 27 55.411 55.411 54.886 0.525 25411 3954 1 8 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.467 -2.508 25411 3955 1 8 . 1 1 27 27 LYS H H 27 8.570 8.570 8.008 0.562 25411 3956 1 8 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.565 -0.548 25411 3957 1 8 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.593 -2.181 25411 3958 1 8 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.910 1.930 25411 3959 1 8 . 1 1 29 29 ALA N N 29 120.743 120.743 128.597 -7.854 25411 3960 1 8 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.219 -0.551 25411 3961 1 8 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.131 -0.453 25411 3962 1 8 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.248 -1.248 25411 3963 1 8 . 1 1 29 29 ALA H H 29 8.323 8.323 8.816 -0.493 25411 3964 1 8 . 1 1 30 30 ASP N N 30 117.202 117.202 117.704 -0.502 25411 3965 1 8 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.384 -0.103 25411 3966 1 8 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.136 0.417 25411 3967 1 8 . 1 1 30 30 ASP CB C 30 39.807 39.807 40.128 -0.321 25411 3968 1 8 . 1 1 30 30 ASP H H 30 6.872 6.872 8.522 -1.650 25411 3969 1 8 . 1 1 31 31 LEU N N 31 122.273 122.273 119.679 2.594 25411 3970 1 8 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.310 -0.764 25411 3971 1 8 . 1 1 31 31 LEU CA C 31 56.725 56.725 57.110 -0.385 25411 3972 1 8 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.461 -1.803 25411 3973 1 8 . 1 1 31 31 LEU H H 31 7.433 7.433 7.652 -0.219 25411 3974 1 8 . 1 1 32 32 LEU N N 32 123.376 123.376 119.127 4.249 25411 3975 1 8 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.147 -0.532 25411 3976 1 8 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.092 0.004 25411 3977 1 8 . 1 1 32 32 LEU CB C 32 40.542 40.542 42.047 -1.506 25411 3978 1 8 . 1 1 32 32 LEU H H 32 8.727 8.727 7.775 0.952 25411 3979 1 8 . 1 1 33 33 LYS N N 33 118.078 118.078 120.659 -2.581 25411 3980 1 8 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.244 -0.031 25411 3981 1 8 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.515 -0.417 25411 3982 1 8 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.050 -0.160 25411 3983 1 8 . 1 1 33 33 LYS H H 33 7.149 7.149 7.451 -0.302 25411 3984 1 8 . 1 1 34 34 PHE N N 34 117.398 117.398 120.902 -3.504 25411 3985 1 8 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.912 -5.217 25411 3986 1 8 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.129 2.090 25411 3987 1 8 . 1 1 34 34 PHE H H 34 7.633 7.633 8.258 -0.625 25411 3988 1 8 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.104 -0.311 25411 3989 1 8 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.987 -0.395 25411 3990 1 8 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.273 -2.259 25411 3991 1 8 . 1 1 36 36 ASP N N 36 120.136 120.136 120.100 0.036 25411 3992 1 8 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.477 -0.381 25411 3993 1 8 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.701 -0.760 25411 3994 1 8 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.575 -1.471 25411 3995 1 8 . 1 1 36 36 ASP H H 36 8.330 8.330 8.763 -0.433 25411 3996 1 8 . 1 1 37 37 PHE N N 37 121.883 121.883 120.926 0.957 25411 3997 1 8 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.409 -0.151 25411 3998 1 8 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.262 -1.564 25411 3999 1 8 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.181 1.004 25411 4000 1 8 . 1 1 37 37 PHE H H 37 7.794 7.794 8.485 -0.691 25411 4001 1 8 . 1 1 38 38 VAL N N 38 118.525 118.525 118.991 -0.466 25411 4002 1 8 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.345 -0.306 25411 4003 1 8 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.200 0.682 25411 4004 1 8 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.298 -0.610 25411 4005 1 8 . 1 1 38 38 VAL H H 38 8.262 8.262 7.889 0.372 25411 4006 1 8 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.833 -0.377 25411 4007 1 8 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.150 -0.096 25411 4008 1 8 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.883 -0.187 25411 4009 1 8 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.397 0.048 25411 4010 1 8 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.566 0.418 25411 4011 1 8 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.664 -0.972 25411 4012 1 8 . 1 1 41 41 ILE N N 41 120.641 120.641 110.611 10.030 25411 4013 1 8 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.245 -0.220 25411 4014 1 8 . 1 1 41 41 ILE CA C 41 61.652 61.652 61.946 -0.294 25411 4015 1 8 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.810 -0.746 25411 4016 1 8 . 1 1 41 41 ILE H H 41 8.788 8.788 7.689 1.099 25411 4017 1 8 . 1 1 42 42 CYS N N 42 117.896 117.896 119.189 -1.293 25411 4018 1 8 . 1 1 42 42 CYS CA C 42 56.172 56.172 56.624 -0.452 25411 4019 1 8 . 1 1 42 42 CYS CB C 42 28.324 28.324 28.018 0.306 25411 4020 1 8 . 1 1 42 42 CYS H H 42 7.180 7.180 7.745 -0.565 25411 4021 1 8 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.044 0.271 25411 4022 1 8 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.713 0.290 25411 4023 1 8 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.137 -0.422 25411 4024 1 8 . 1 1 44 44 TRP N N 44 113.823 113.823 115.389 -1.566 25411 4025 1 8 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.418 -0.113 25411 4026 1 8 . 1 1 44 44 TRP CA C 44 55.398 55.398 56.607 -1.209 25411 4027 1 8 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.529 -1.718 25411 4028 1 8 . 1 1 44 44 TRP H H 44 6.591 6.591 7.693 -1.102 25411 4029 1 8 . 1 1 45 45 PHE N N 45 123.100 123.100 116.611 6.489 25411 4030 1 8 . 1 1 45 45 PHE HA H 45 4.001 4.001 4.956 -0.955 25411 4031 1 8 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.931 7.878 25411 4032 1 8 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.615 -3.680 25411 4033 1 8 . 1 1 45 45 PHE H H 45 7.239 7.239 7.711 -0.472 25411 4034 1 8 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.385 -0.373 25411 4035 1 8 . 1 1 46 46 PRO CA C 46 64.531 64.531 63.797 0.734 25411 4036 1 8 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.888 -1.401 25411 4037 1 8 . 1 1 47 47 GLN N N 47 114.502 114.502 118.482 -3.980 25411 4038 1 8 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.161 -0.224 25411 4039 1 8 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.089 0.315 25411 4040 1 8 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.584 0.736 25411 4041 1 8 . 1 1 47 47 GLN H H 47 6.518 6.518 8.390 -1.872 25411 4042 1 8 . 1 1 48 48 GLU N N 48 117.358 117.358 119.046 -1.688 25411 4043 1 8 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.206 -0.168 25411 4044 1 8 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.690 1.482 25411 4045 1 8 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.047 -1.093 25411 4046 1 8 . 1 1 48 48 GLU H H 48 7.318 7.318 7.781 -0.463 25411 4047 1 8 . 1 1 49 49 GLY N N 49 105.534 105.534 108.907 -3.373 25411 4048 1 8 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.758 1.545 25411 4049 1 8 . 1 1 49 49 GLY H H 49 7.296 7.296 8.015 -0.719 25411 4050 1 8 . 1 1 50 50 THR N N 50 114.069 114.069 112.836 1.233 25411 4051 1 8 . 1 1 50 50 THR HA H 50 4.234 4.234 4.427 -0.193 25411 4052 1 8 . 1 1 50 50 THR CA C 50 61.683 61.683 60.249 1.434 25411 4053 1 8 . 1 1 50 50 THR CB C 50 70.718 70.718 70.673 0.045 25411 4054 1 8 . 1 1 50 50 THR H H 50 7.597 7.597 7.501 0.096 25411 4055 1 8 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.159 -0.034 25411 4056 1 8 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.532 -1.662 25411 4057 1 8 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.221 -3.933 25411 4058 1 8 . 1 1 52 52 ASP N N 52 121.791 121.791 122.439 -0.648 25411 4059 1 8 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.693 -0.070 25411 4060 1 8 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.993 -1.261 25411 4061 1 8 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.024 -1.563 25411 4062 1 8 . 1 1 52 52 ASP H H 52 7.168 7.168 8.060 -0.892 25411 4063 1 8 . 1 1 53 53 ILE N N 53 119.537 119.537 118.485 1.052 25411 4064 1 8 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.506 -0.371 25411 4065 1 8 . 1 1 53 53 ILE CA C 53 61.796 61.796 61.649 0.147 25411 4066 1 8 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.985 -2.170 25411 4067 1 8 . 1 1 53 53 ILE H H 53 8.336 8.336 8.499 -0.163 25411 4068 1 8 . 1 1 54 54 LYS N N 54 123.592 123.592 121.881 1.711 25411 4069 1 8 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.117 -0.012 25411 4070 1 8 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.051 -0.079 25411 4071 1 8 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.255 -0.507 25411 4072 1 8 . 1 1 54 54 LYS H H 54 8.104 8.104 8.154 -0.050 25411 4073 1 8 . 1 1 55 55 ARG N N 55 120.511 120.511 120.066 0.445 25411 4074 1 8 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.132 0.169 25411 4075 1 8 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.621 0.282 25411 4076 1 8 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.121 -0.065 25411 4077 1 8 . 1 1 55 55 ARG H H 55 9.196 9.196 9.128 0.068 25411 4078 1 8 . 1 1 56 56 TRP N N 56 120.681 120.681 122.639 -1.958 25411 4079 1 8 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.722 -0.019 25411 4080 1 8 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.247 -0.841 25411 4081 1 8 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.565 0.449 25411 4082 1 8 . 1 1 56 56 TRP H H 56 8.899 8.899 9.329 -0.430 25411 4083 1 8 . 1 1 57 57 ARG N N 57 122.115 122.115 119.541 2.574 25411 4084 1 8 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.874 0.533 25411 4085 1 8 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.386 0.641 25411 4086 1 8 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.990 -0.204 25411 4087 1 8 . 1 1 57 57 ARG H H 57 9.210 9.210 8.132 1.078 25411 4088 1 8 . 1 1 58 58 ARG N N 58 120.918 120.918 119.874 1.044 25411 4089 1 8 . 1 1 58 58 ARG CA C 58 59.845 59.845 58.970 0.875 25411 4090 1 8 . 1 1 58 58 ARG CB C 58 29.729 29.729 29.635 0.094 25411 4091 1 8 . 1 1 58 58 ARG H H 58 7.640 7.640 7.940 -0.300 25411 4092 1 8 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.833 -0.069 25411 4093 1 8 . 1 1 59 59 VAL CA C 59 66.000 66.000 66.093 -0.093 25411 4094 1 8 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.548 -0.716 25411 4095 1 8 . 1 1 59 59 VAL H H 59 7.916 7.916 8.249 -0.333 25411 4096 1 8 . 1 1 60 60 GLY N N 60 106.856 106.856 107.417 -0.561 25411 4097 1 8 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.038 -0.957 25411 4098 1 8 . 1 1 60 60 GLY H H 60 7.623 7.623 8.184 -0.561 25411 4099 1 8 . 1 1 61 61 ASP N N 61 123.308 123.308 122.258 1.050 25411 4100 1 8 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.487 -0.262 25411 4101 1 8 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.888 -0.088 25411 4102 1 8 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.685 -1.201 25411 4103 1 8 . 1 1 61 61 ASP H H 61 8.203 8.203 7.998 0.205 25411 4104 1 8 . 1 1 62 62 CYS N N 62 120.841 120.841 118.630 2.211 25411 4105 1 8 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.079 0.159 25411 4106 1 8 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.444 -1.494 25411 4107 1 8 . 1 1 62 62 CYS CB C 62 26.503 26.503 27.199 -0.696 25411 4108 1 8 . 1 1 62 62 CYS H H 62 7.795 7.795 7.665 0.130 25411 4109 1 8 . 1 1 63 63 PHE N N 63 119.763 119.763 120.335 -0.572 25411 4110 1 8 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.223 0.055 25411 4111 1 8 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.617 -2.960 25411 4112 1 8 . 1 1 63 63 PHE CB C 63 36.990 36.990 39.320 -2.330 25411 4113 1 8 . 1 1 63 63 PHE H H 63 8.647 8.647 8.007 0.640 25411 4114 1 8 . 1 1 64 64 GLN N N 64 118.578 118.578 119.474 -0.896 25411 4115 1 8 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.118 0.190 25411 4116 1 8 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.989 0.344 25411 4117 1 8 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.428 0.151 25411 4118 1 8 . 1 1 64 64 GLN H H 64 8.261 8.261 8.499 -0.238 25411 4119 1 8 . 1 1 65 65 ASP N N 65 119.534 119.534 121.680 -2.146 25411 4120 1 8 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.303 0.181 25411 4121 1 8 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.123 0.206 25411 4122 1 8 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.867 -1.196 25411 4123 1 8 . 1 1 65 65 ASP H H 65 8.338 8.338 8.369 -0.031 25411 4124 1 8 . 1 1 66 66 TYR N N 66 123.600 123.600 121.948 1.652 25411 4125 1 8 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.760 0.742 25411 4126 1 8 . 1 1 66 66 TYR CA C 66 61.231 61.231 61.830 -0.599 25411 4127 1 8 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.192 0.241 25411 4128 1 8 . 1 1 66 66 TYR H H 66 7.804 7.804 8.224 -0.420 25411 4129 1 8 . 1 1 67 67 TYR N N 67 122.825 122.825 117.916 4.909 25411 4130 1 8 . 1 1 67 67 TYR HA H 67 3.997 3.997 4.002 -0.005 25411 4131 1 8 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.471 0.432 25411 4132 1 8 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.480 0.466 25411 4133 1 8 . 1 1 67 67 TYR H H 67 9.100 9.100 8.090 1.010 25411 4134 1 8 . 1 1 68 68 ASN N N 68 118.826 118.826 117.060 1.766 25411 4135 1 8 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.275 0.008 25411 4136 1 8 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.807 -0.375 25411 4137 1 8 . 1 1 68 68 ASN CB C 68 37.876 37.876 37.837 0.039 25411 4138 1 8 . 1 1 68 68 ASN H H 68 8.853 8.853 8.557 0.296 25411 4139 1 8 . 1 1 69 69 THR N N 69 114.242 114.242 115.216 -0.974 25411 4140 1 8 . 1 1 69 69 THR HA H 69 3.837 3.837 3.981 -0.144 25411 4141 1 8 . 1 1 69 69 THR CA C 69 65.328 65.328 64.994 0.334 25411 4142 1 8 . 1 1 69 69 THR CB C 69 69.249 69.249 68.360 0.889 25411 4143 1 8 . 1 1 69 69 THR H H 69 7.847 7.847 7.953 -0.106 25411 4144 1 8 . 1 1 70 70 PHE N N 70 117.970 117.970 118.637 -0.667 25411 4145 1 8 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.325 0.239 25411 4146 1 8 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.901 0.341 25411 4147 1 8 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.304 2.770 25411 4148 1 8 . 1 1 70 70 PHE H H 70 8.489 8.489 7.115 1.374 25411 4149 1 8 . 1 1 71 71 GLY N N 71 109.516 109.516 108.005 1.511 25411 4150 1 8 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.808 0.224 25411 4151 1 8 . 1 1 71 71 GLY H H 71 7.968 7.968 7.439 0.529 25411 4152 1 8 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.403 0.308 25411 4153 1 8 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.163 1.134 25411 4154 1 8 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.270 0.474 25411 4155 1 8 . 1 1 73 73 GLU N N 73 117.720 117.720 126.762 -9.042 25411 4156 1 8 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.039 -0.140 25411 4157 1 8 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.667 0.069 25411 4158 1 8 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.576 -0.713 25411 4159 1 8 . 1 1 73 73 GLU H H 73 8.586 8.586 8.481 0.105 25411 4160 1 8 . 1 1 74 74 LYS N N 74 116.974 116.974 118.883 -1.909 25411 4161 1 8 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.418 -0.029 25411 4162 1 8 . 1 1 74 74 LYS CA C 74 55.185 55.185 54.666 0.519 25411 4163 1 8 . 1 1 74 74 LYS CB C 74 34.087 34.087 31.108 2.979 25411 4164 1 8 . 1 1 74 74 LYS H H 74 7.505 7.505 8.098 -0.593 25411 4165 1 8 . 1 1 75 75 VAL N N 75 117.309 117.309 124.154 -6.845 25411 4166 1 8 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.205 0.108 25411 4167 1 8 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.196 1.849 25411 4168 1 8 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.157 -0.174 25411 4169 1 8 . 1 1 75 75 VAL H H 75 7.402 7.402 7.455 -0.053 25411 4170 1 8 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.558 0.004 25411 4171 1 8 . 1 1 76 76 PRO CA C 76 61.687 61.687 63.002 -1.315 25411 4172 1 8 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.728 -0.997 25411 4173 1 8 . 1 1 77 77 VAL N N 77 120.870 120.870 121.910 -1.040 25411 4174 1 8 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.178 -0.350 25411 4175 1 8 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.480 1.358 25411 4176 1 8 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.064 -0.677 25411 4177 1 8 . 1 1 77 77 VAL H H 77 8.473 8.473 8.826 -0.353 25411 4178 1 8 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.873 -0.021 25411 4179 1 8 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.087 -2.962 25411 4180 1 8 . 1 1 78 78 ILE CB C 78 37.135 37.135 37.069 0.066 25411 4181 1 8 . 1 1 78 78 ILE H H 78 8.388 8.388 8.012 0.376 25411 4182 1 8 . 1 1 79 79 ALA N N 79 123.960 123.960 123.537 0.423 25411 4183 1 8 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.133 -0.243 25411 4184 1 8 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.694 0.195 25411 4185 1 8 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.263 -0.640 25411 4186 1 8 . 1 1 79 79 ALA H H 79 7.953 7.953 8.190 -0.237 25411 4187 1 8 . 1 1 80 80 PHE N N 80 114.330 114.330 115.671 -1.341 25411 4188 1 8 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.637 -0.206 25411 4189 1 8 . 1 1 80 80 PHE CA C 80 61.312 61.312 60.094 1.218 25411 4190 1 8 . 1 1 80 80 PHE CB C 80 37.656 37.656 38.993 -1.337 25411 4191 1 8 . 1 1 80 80 PHE H H 80 7.499 7.499 8.410 -0.911 25411 4192 1 8 . 1 1 81 81 SER N N 81 115.971 115.971 113.126 2.845 25411 4193 1 8 . 1 1 81 81 SER HA H 81 4.206 4.206 4.477 -0.271 25411 4194 1 8 . 1 1 81 81 SER CA C 81 58.432 58.432 59.426 -0.994 25411 4195 1 8 . 1 1 81 81 SER CB C 81 63.575 63.575 63.380 0.195 25411 4196 1 8 . 1 1 81 81 SER H H 81 8.225 8.225 7.945 0.280 25411 4197 1 8 . 1 1 82 82 TYR N N 82 121.997 121.997 121.832 0.165 25411 4198 1 8 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.531 -0.084 25411 4199 1 8 . 1 1 82 82 TYR CA C 82 55.885 55.885 57.555 -1.670 25411 4200 1 8 . 1 1 82 82 TYR CB C 82 37.838 37.838 37.668 0.170 25411 4201 1 8 . 1 1 82 82 TYR H H 82 8.378 8.378 7.590 0.788 25411 4202 1 8 . 1 1 83 83 TRP N N 83 120.268 120.268 122.455 -2.187 25411 4203 1 8 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.067 -4.674 25411 4204 1 8 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.413 -0.519 25411 4205 1 8 . 1 1 83 83 TRP H H 83 8.546 8.546 9.127 -0.581 25411 4206 1 8 . 1 1 84 84 ASN HA H 84 4.220 4.220 3.689 0.531 25411 4207 1 8 . 1 1 84 84 ASN CA C 84 56.629 56.629 55.949 0.680 25411 4208 1 8 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.847 1.218 25411 4209 1 8 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.239 -0.193 25411 4210 1 8 . 1 1 85 85 LEU CA C 85 58.142 58.142 56.769 1.373 25411 4211 1 8 . 1 1 85 85 LEU CB C 85 41.692 41.692 42.054 -0.362 25411 4212 1 8 . 1 1 86 86 ILE N N 86 117.000 117.000 120.206 -3.206 25411 4213 1 8 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.428 0.018 25411 4214 1 8 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.742 -2.459 25411 4215 1 8 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.174 -1.762 25411 4216 1 8 . 1 1 86 86 ILE H H 86 7.882 7.882 7.572 0.310 25411 4217 1 8 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.840 -0.614 25411 4218 1 8 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.034 0.962 25411 4219 1 8 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.779 -0.729 25411 4220 1 8 . 1 1 88 88 GLU N N 88 116.404 116.404 117.179 -0.775 25411 4221 1 8 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.141 -0.294 25411 4222 1 8 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.090 0.820 25411 4223 1 8 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.694 -0.725 25411 4224 1 8 . 1 1 88 88 GLU H H 88 7.689 7.689 7.416 0.273 25411 4225 1 8 . 1 1 89 89 LEU N N 89 118.193 118.193 122.152 -3.959 25411 4226 1 8 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.077 -0.188 25411 4227 1 8 . 1 1 89 89 LEU CA C 89 57.963 57.963 57.092 0.872 25411 4228 1 8 . 1 1 89 89 LEU CB C 89 41.300 41.300 41.968 -0.668 25411 4229 1 8 . 1 1 89 89 LEU H H 89 7.415 7.415 7.860 -0.445 25411 4230 1 8 . 1 1 90 90 ILE N N 90 115.471 115.471 120.742 -5.271 25411 4231 1 8 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.626 -0.208 25411 4232 1 8 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.165 0.743 25411 4233 1 8 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.577 0.017 25411 4234 1 8 . 1 1 90 90 ILE H H 90 7.718 7.718 7.659 0.059 25411 4235 1 8 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.349 -0.629 25411 4236 1 8 . 1 1 91 91 ASP CA C 91 57.664 57.664 57.272 0.392 25411 4237 1 8 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.708 -0.176 25411 4238 1 8 . 1 1 92 92 LYS N N 92 119.253 119.253 118.128 1.125 25411 4239 1 8 . 1 1 92 92 LYS CA C 92 58.897 58.897 57.852 1.045 25411 4240 1 8 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.249 -0.261 25411 4241 1 8 . 1 1 92 92 LYS H H 92 7.869 7.869 7.841 0.028 25411 4242 1 8 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.056 0.475 25411 4243 1 8 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.638 -3.380 25411 4244 1 8 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.175 -0.006 25411 4245 1 8 . 1 1 94 94 GLU N N 94 116.729 116.729 121.109 -4.380 25411 4246 1 8 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.109 0.024 25411 4247 1 8 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.223 0.096 25411 4248 1 8 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.108 -1.733 25411 4249 1 8 . 1 1 94 94 GLU H H 94 8.393 8.393 7.630 0.763 25411 4250 1 8 . 1 1 95 95 VAL N N 95 121.696 121.696 117.650 4.046 25411 4251 1 8 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.834 0.648 25411 4252 1 8 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.548 3.173 25411 4253 1 8 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.434 1.460 25411 4254 1 8 . 1 1 95 95 VAL H H 95 7.923 7.923 7.622 0.301 25411 4255 1 8 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.584 -0.226 25411 4256 1 8 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.506 0.101 25411 4257 1 8 . 1 1 97 97 PRO CB C 97 31.874 31.874 33.049 -1.175 25411 4258 1 8 . 1 1 98 98 GLN N N 98 117.731 117.731 118.566 -0.835 25411 4259 1 8 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.069 -0.144 25411 4260 1 8 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.084 0.524 25411 4261 1 8 . 1 1 98 98 GLN CB C 98 28.521 28.521 28.158 0.363 25411 4262 1 8 . 1 1 98 98 GLN H H 98 8.359 8.359 8.302 0.057 25411 4263 1 8 . 1 1 99 99 VAL N N 99 121.326 121.326 118.333 2.993 25411 4264 1 8 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.760 -0.340 25411 4265 1 8 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.999 0.405 25411 4266 1 8 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.470 0.149 25411 4267 1 8 . 1 1 99 99 VAL H H 99 7.901 7.901 8.276 -0.375 25411 4268 1 8 . 1 1 100 100 MET N N 100 120.447 120.447 116.141 4.306 25411 4269 1 8 . 1 1 100 100 MET HA H 100 3.812 3.812 4.341 -0.529 25411 4270 1 8 . 1 1 100 100 MET CA C 100 59.297 59.297 58.135 1.162 25411 4271 1 8 . 1 1 100 100 MET CB C 100 32.099 32.099 33.186 -1.087 25411 4272 1 8 . 1 1 100 100 MET H H 100 7.509 7.509 7.516 -0.007 25411 4273 1 8 . 1 1 101 101 ALA N N 101 119.458 119.458 121.403 -1.945 25411 4274 1 8 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.258 -0.048 25411 4275 1 8 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.192 0.560 25411 4276 1 8 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.452 -0.931 25411 4277 1 8 . 1 1 101 101 ALA H H 101 7.889 7.889 7.789 0.100 25411 4278 1 8 . 1 1 102 102 ALA N N 102 119.627 119.627 121.304 -1.677 25411 4279 1 8 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.180 -0.187 25411 4280 1 8 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.196 0.692 25411 4281 1 8 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.485 -1.141 25411 4282 1 8 . 1 1 102 102 ALA H H 102 7.563 7.563 8.327 -0.764 25411 4283 1 8 . 1 1 103 103 VAL N N 103 122.690 122.690 118.622 4.068 25411 4284 1 8 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.896 0.177 25411 4285 1 8 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.931 -4.246 25411 4286 1 8 . 1 1 103 103 VAL CB C 103 33.222 33.222 30.992 2.230 25411 4287 1 8 . 1 1 103 103 VAL H H 103 8.828 8.828 7.987 0.841 25411 4288 1 8 . 1 1 104 104 ALA N N 104 128.041 128.041 119.325 8.716 25411 4289 1 8 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.149 0.120 25411 4290 1 8 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.681 -2.540 25411 4291 1 8 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.404 0.536 25411 4292 1 8 . 1 1 104 104 ALA H H 104 8.367 8.367 7.571 0.796 25411 4293 1 8 . 1 1 105 105 GLN N N 105 120.265 120.265 116.450 3.815 25411 4294 1 8 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.458 -0.527 25411 4295 1 8 . 1 1 105 105 GLN CB C 105 29.020 29.020 29.770 -0.750 25411 4296 1 8 . 1 1 105 105 GLN H H 105 8.356 8.356 8.106 0.250 25411 4297 1 8 . 1 1 106 106 THR HA H 106 4.320 4.320 4.449 -0.129 25411 4298 1 8 . 1 1 106 106 THR CA C 106 61.346 61.346 63.619 -2.273 25411 4299 1 8 . 1 1 106 106 THR CB C 106 69.293 69.293 69.579 -0.286 25411 4300 1 8 . 1 1 107 107 GLU N N 107 122.706 122.706 120.287 2.419 25411 4301 1 8 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.188 -0.006 25411 4302 1 8 . 1 1 107 107 GLU CA C 107 56.576 56.576 58.303 -1.727 25411 4303 1 8 . 1 1 107 107 GLU CB C 107 29.936 29.936 30.591 -0.655 25411 4304 1 8 . 1 1 107 107 GLU H H 107 8.404 8.404 7.649 0.755 25411 4305 1 8 . 1 1 108 108 GLU N N 108 122.034 122.034 115.261 6.773 25411 4306 1 8 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.087 0.074 25411 4307 1 8 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.158 -0.509 25411 4308 1 8 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.527 0.149 25411 4309 1 8 . 1 1 108 108 GLU H H 108 7.341 7.341 8.081 -0.740 25411 4310 1 8 . 1 1 109 109 ILE N N 109 122.151 122.151 116.368 5.783 25411 4311 1 8 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.206 -0.159 25411 4312 1 8 . 1 1 109 109 ILE CA C 109 61.565 61.565 63.420 -1.855 25411 4313 1 8 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.377 -0.273 25411 4314 1 8 . 1 1 109 109 ILE H H 109 8.058 8.058 8.758 -0.700 25411 4315 1 8 . 1 1 110 110 LEU N N 110 122.427 122.427 119.902 2.525 25411 4316 1 8 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.114 0.162 25411 4317 1 8 . 1 1 110 110 LEU CA C 110 55.151 55.151 55.672 -0.521 25411 4318 1 8 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.682 -8.427 25411 4319 1 8 . 1 1 110 110 LEU H H 110 8.194 8.194 8.000 0.194 25411 4320 1 8 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.026 0.221 25411 4321 1 8 . 1 1 111 111 LYS CA C 111 56.137 56.137 58.543 -2.406 25411 4322 1 8 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.140 0.429 25411 4323 1 8 . 1 1 112 112 SER N N 112 116.453 116.453 110.651 5.802 25411 4324 1 8 . 1 1 112 112 SER HA H 112 4.175 4.175 4.061 0.114 25411 4325 1 8 . 1 1 112 112 SER CA C 112 58.311 58.311 60.688 -2.377 25411 4326 1 8 . 1 1 112 112 SER CB C 112 63.441 63.441 62.448 0.993 25411 4327 1 8 . 1 1 112 112 SER H H 112 8.204 8.204 8.324 -0.120 25411 4328 1 8 . 1 1 113 113 ASN N N 113 119.747 119.747 117.019 2.728 25411 4329 1 8 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.858 -0.214 25411 4330 1 8 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.334 1.311 25411 4331 1 8 . 1 1 113 113 ASN CB C 113 38.646 38.646 39.424 -0.778 25411 4332 1 8 . 1 1 113 113 ASN H H 113 7.944 7.944 7.755 0.189 25411 4333 1 8 . 1 1 114 114 SER N N 114 115.433 115.433 113.999 1.434 25411 4334 1 8 . 1 1 114 114 SER HA H 114 4.336 4.336 4.544 -0.208 25411 4335 1 8 . 1 1 114 114 SER CA C 114 58.711 58.711 59.086 -0.375 25411 4336 1 8 . 1 1 114 114 SER CB C 114 63.308 63.308 61.977 1.331 25411 4337 1 8 . 1 1 114 114 SER H H 114 7.962 7.962 8.607 -0.645 25411 4338 1 8 . 1 1 115 115 GLN N N 115 121.682 121.682 119.703 1.979 25411 4339 1 8 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.570 -0.296 25411 4340 1 8 . 1 1 115 115 GLN CA C 115 56.193 56.193 54.760 1.433 25411 4341 1 8 . 1 1 115 115 GLN CB C 115 28.807 28.807 32.253 -3.446 25411 4342 1 8 . 1 1 115 115 GLN H H 115 8.207 8.207 8.113 0.094 25411 4343 1 8 . 1 1 116 116 THR N N 116 114.715 114.715 108.521 6.194 25411 4344 1 8 . 1 1 116 116 THR HA H 116 4.225 4.225 4.843 -0.618 25411 4345 1 8 . 1 1 116 116 THR CA C 116 62.109 62.109 59.768 2.341 25411 4346 1 8 . 1 1 116 116 THR CB C 116 69.336 69.336 72.342 -3.006 25411 4347 1 8 . 1 1 116 116 THR H H 116 8.062 8.062 7.556 0.506 25411 4348 1 8 . 1 1 117 117 ASP N N 117 122.602 122.602 123.496 -0.894 25411 4349 1 8 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.154 0.414 25411 4350 1 8 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.864 -2.660 25411 4351 1 8 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.777 -0.112 25411 4352 1 8 . 1 1 117 117 ASP H H 117 8.065 8.065 8.688 -0.623 25411 4353 1 8 . 1 1 118 118 LEU N N 118 122.140 122.140 117.360 4.780 25411 4354 1 8 . 1 1 118 118 LEU HA H 118 4.155 4.155 3.693 0.462 25411 4355 1 8 . 1 1 118 118 LEU CA C 118 55.423 55.423 55.735 -0.312 25411 4356 1 8 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.764 0.109 25411 4357 1 8 . 1 1 118 118 LEU H H 118 8.085 8.085 7.868 0.217 25411 4358 1 8 . 1 1 119 119 GLU N N 119 119.672 119.672 114.247 5.425 25411 4359 1 8 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.702 0.366 25411 4360 1 8 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.735 -1.170 25411 4361 1 8 . 1 1 119 119 GLU CB C 119 29.572 29.572 28.410 1.162 25411 4362 1 8 . 1 1 119 119 GLU H H 119 8.143 8.143 7.540 0.603 25411 4363 1 8 . 1 1 120 120 HIS N N 120 118.301 118.301 118.071 0.230 25411 4364 1 8 . 1 1 120 120 HIS CA C 120 55.883 55.883 54.787 1.096 25411 4365 1 8 . 1 1 120 120 HIS CB C 120 29.270 29.270 30.038 -0.768 25411 4366 1 8 . 1 1 120 120 HIS H H 120 8.107 8.107 7.082 1.025 25411 4367 1 8 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.657 -0.649 25411 4368 1 8 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.617 -0.451 25411 4369 1 8 . 1 1 121 121 HIS CB C 121 28.759 28.759 28.148 0.611 25411 4370 1 8 . 1 1 122 122 HIS N N 122 122.407 122.407 119.753 2.654 25411 4371 1 8 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.639 -0.421 25411 4372 1 8 . 1 1 122 122 HIS CA C 122 56.081 56.081 53.744 2.337 25411 4373 1 8 . 1 1 122 122 HIS CB C 122 29.371 29.371 31.864 -2.493 25411 4374 1 8 . 1 1 122 122 HIS H H 122 8.489 8.489 8.518 -0.029 25411 4375 1 8 . 1 1 123 123 HIS N N 123 122.868 122.868 119.626 3.242 25411 4376 1 8 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.091 0.296 25411 4377 1 8 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.130 -0.820 25411 4378 1 8 . 1 1 123 123 HIS CB C 123 29.502 29.502 28.759 0.743 25411 4379 1 8 . 1 1 123 123 HIS H H 123 8.596 8.596 8.490 0.106 25411 4380 1 8 . 1 1 124 124 HIS N N 124 123.734 123.734 124.542 -0.808 25411 4381 1 8 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.861 -0.304 25411 4382 1 8 . 1 1 124 124 HIS CA C 124 55.385 55.385 53.977 1.407 25411 4383 1 8 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.284 1.074 25411 4384 1 8 . 1 1 124 124 HIS H H 124 8.255 8.255 7.642 0.613 25411 4385 1 9 . 1 1 3 3 GLN N N 3 122.360 122.360 120.725 1.635 25411 4386 1 9 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.286 -0.398 25411 4387 1 9 . 1 1 3 3 GLN CA C 3 58.742 58.742 57.213 1.529 25411 4388 1 9 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.811 -0.428 25411 4389 1 9 . 1 1 3 3 GLN H H 3 9.398 9.398 8.566 0.832 25411 4390 1 9 . 1 1 4 4 GLU N N 4 119.689 119.689 120.024 -0.335 25411 4391 1 9 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.104 0.570 25411 4392 1 9 . 1 1 4 4 GLU CA C 4 57.807 57.807 58.362 -0.555 25411 4393 1 9 . 1 1 4 4 GLU CB C 4 28.700 28.700 29.013 -0.313 25411 4394 1 9 . 1 1 4 4 GLU H H 4 7.464 7.464 8.818 -1.354 25411 4395 1 9 . 1 1 5 5 LEU N N 5 114.872 114.872 122.156 -7.284 25411 4396 1 9 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.034 -0.333 25411 4397 1 9 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.052 -0.314 25411 4398 1 9 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.937 -1.122 25411 4399 1 9 . 1 1 5 5 LEU H H 5 8.206 8.206 7.505 0.701 25411 4400 1 9 . 1 1 6 6 SER N N 6 109.762 109.762 112.967 -3.205 25411 4401 1 9 . 1 1 6 6 SER HA H 6 4.092 4.092 4.069 0.023 25411 4402 1 9 . 1 1 6 6 SER CA C 6 60.415 60.415 61.800 -1.385 25411 4403 1 9 . 1 1 6 6 SER CB C 6 63.391 63.391 62.526 0.865 25411 4404 1 9 . 1 1 6 6 SER H H 6 8.253 8.253 8.133 0.120 25411 4405 1 9 . 1 1 7 7 GLN N N 7 117.498 117.498 122.619 -5.121 25411 4406 1 9 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.084 -0.129 25411 4407 1 9 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.522 -0.097 25411 4408 1 9 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.473 0.267 25411 4409 1 9 . 1 1 7 7 GLN H H 7 8.673 8.673 7.854 0.819 25411 4410 1 9 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.251 -0.454 25411 4411 1 9 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.678 -0.623 25411 4412 1 9 . 1 1 8 8 HIS CB C 8 29.109 29.109 29.764 -0.655 25411 4413 1 9 . 1 1 9 9 GLU N N 9 120.354 120.354 119.643 0.711 25411 4414 1 9 . 1 1 9 9 GLU HA H 9 3.959 3.959 3.468 0.491 25411 4415 1 9 . 1 1 9 9 GLU CA C 9 60.258 60.258 58.862 1.396 25411 4416 1 9 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.496 -0.269 25411 4417 1 9 . 1 1 9 9 GLU H H 9 7.690 7.690 8.300 -0.610 25411 4418 1 9 . 1 1 10 10 ARG N N 10 118.753 118.753 119.726 -0.973 25411 4419 1 9 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.025 0.074 25411 4420 1 9 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.446 -1.225 25411 4421 1 9 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.230 -1.135 25411 4422 1 9 . 1 1 10 10 ARG H H 10 8.928 8.928 7.739 1.189 25411 4423 1 9 . 1 1 11 11 TYR N N 11 121.288 121.288 119.232 2.056 25411 4424 1 9 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.264 -0.075 25411 4425 1 9 . 1 1 11 11 TYR CA C 11 61.236 61.236 61.558 -0.322 25411 4426 1 9 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.300 -0.439 25411 4427 1 9 . 1 1 11 11 TYR H H 11 7.562 7.562 8.732 -1.170 25411 4428 1 9 . 1 1 12 12 VAL N N 12 119.304 119.304 119.394 -0.090 25411 4429 1 9 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.597 -0.514 25411 4430 1 9 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.650 0.186 25411 4431 1 9 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.562 -0.463 25411 4432 1 9 . 1 1 12 12 VAL H H 12 8.075 8.075 8.246 -0.171 25411 4433 1 9 . 1 1 13 13 GLU N N 13 119.685 119.685 119.941 -0.256 25411 4434 1 9 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.013 0.142 25411 4435 1 9 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.212 0.213 25411 4436 1 9 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.193 -0.005 25411 4437 1 9 . 1 1 13 13 GLU H H 13 8.278 8.278 7.646 0.632 25411 4438 1 9 . 1 1 14 14 GLN N N 14 119.682 119.682 120.356 -0.674 25411 4439 1 9 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.021 -0.365 25411 4440 1 9 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.673 1.296 25411 4441 1 9 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.152 1.521 25411 4442 1 9 . 1 1 14 14 GLN H H 14 7.653 7.653 8.025 -0.372 25411 4443 1 9 . 1 1 15 15 LEU N N 15 121.000 121.000 119.684 1.316 25411 4444 1 9 . 1 1 15 15 LEU HA H 15 3.921 3.921 3.979 -0.058 25411 4445 1 9 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.891 0.564 25411 4446 1 9 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.290 -0.530 25411 4447 1 9 . 1 1 15 15 LEU H H 15 8.402 8.402 8.496 -0.094 25411 4448 1 9 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.838 -0.142 25411 4449 1 9 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.253 0.005 25411 4450 1 9 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.282 -0.147 25411 4451 1 9 . 1 1 17 17 GLN N N 17 117.558 117.558 118.455 -0.897 25411 4452 1 9 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.029 -0.142 25411 4453 1 9 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.715 -0.273 25411 4454 1 9 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.672 -0.628 25411 4455 1 9 . 1 1 17 17 GLN H H 17 7.849 7.849 8.181 -0.332 25411 4456 1 9 . 1 1 18 18 ALA N N 18 120.288 120.288 123.167 -2.879 25411 4457 1 9 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.134 -0.346 25411 4458 1 9 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.896 -0.003 25411 4459 1 9 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.596 -1.200 25411 4460 1 9 . 1 1 18 18 ALA H H 18 8.504 8.504 8.364 0.140 25411 4461 1 9 . 1 1 19 19 LEU N N 19 116.974 116.974 118.218 -1.244 25411 4462 1 9 . 1 1 19 19 LEU HA H 19 3.759 3.759 3.993 -0.234 25411 4463 1 9 . 1 1 19 19 LEU CA C 19 57.552 57.552 57.038 0.514 25411 4464 1 9 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.653 -0.960 25411 4465 1 9 . 1 1 19 19 LEU H H 19 8.143 8.143 8.430 -0.287 25411 4466 1 9 . 1 1 20 20 LYS N N 20 117.776 117.776 120.691 -2.915 25411 4467 1 9 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.015 -0.060 25411 4468 1 9 . 1 1 20 20 LYS CA C 20 59.544 59.544 60.042 -0.498 25411 4469 1 9 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.385 -1.899 25411 4470 1 9 . 1 1 20 20 LYS H H 20 8.340 8.340 8.186 0.154 25411 4471 1 9 . 1 1 21 21 THR N N 21 116.373 116.373 111.548 4.825 25411 4472 1 9 . 1 1 21 21 THR HA H 21 4.107 4.107 4.198 -0.091 25411 4473 1 9 . 1 1 21 21 THR CA C 21 64.611 64.611 64.562 0.049 25411 4474 1 9 . 1 1 21 21 THR CB C 21 68.811 68.811 68.401 0.410 25411 4475 1 9 . 1 1 21 21 THR H H 21 7.302 7.302 7.869 -0.567 25411 4476 1 9 . 1 1 22 22 ARG N N 22 118.647 118.647 119.776 -1.129 25411 4477 1 9 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.472 -0.110 25411 4478 1 9 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.733 -1.668 25411 4479 1 9 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.100 -1.572 25411 4480 1 9 . 1 1 22 22 ARG H H 22 7.290 7.290 7.563 -0.273 25411 4481 1 9 . 1 1 23 23 GLY N N 23 108.637 108.637 108.972 -0.335 25411 4482 1 9 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.578 0.534 25411 4483 1 9 . 1 1 23 23 GLY H H 23 7.881 7.881 7.712 0.169 25411 4484 1 9 . 1 1 24 24 VAL N N 24 117.390 117.390 121.266 -3.876 25411 4485 1 9 . 1 1 24 24 VAL HA H 24 4.014 4.014 4.313 -0.299 25411 4486 1 9 . 1 1 24 24 VAL CA C 24 61.668 61.668 60.663 1.005 25411 4487 1 9 . 1 1 24 24 VAL CB C 24 32.372 32.372 29.701 2.671 25411 4488 1 9 . 1 1 24 24 VAL H H 24 7.333 7.333 7.842 -0.509 25411 4489 1 9 . 1 1 25 25 LYS N N 25 127.322 127.322 122.632 4.690 25411 4490 1 9 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.945 0.387 25411 4491 1 9 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.101 -1.339 25411 4492 1 9 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.690 0.071 25411 4493 1 9 . 1 1 25 25 LYS H H 25 8.722 8.722 7.918 0.804 25411 4494 1 9 . 1 1 26 26 VAL N N 26 120.568 120.568 119.322 1.246 25411 4495 1 9 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.234 -0.156 25411 4496 1 9 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.767 -1.102 25411 4497 1 9 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.161 0.486 25411 4498 1 9 . 1 1 26 26 VAL H H 26 7.119 7.119 8.237 -1.118 25411 4499 1 9 . 1 1 27 27 LYS N N 27 125.675 125.675 127.275 -1.600 25411 4500 1 9 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.362 -0.036 25411 4501 1 9 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.110 0.301 25411 4502 1 9 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.997 -3.038 25411 4503 1 9 . 1 1 27 27 LYS H H 27 8.570 8.570 8.118 0.452 25411 4504 1 9 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.434 -0.417 25411 4505 1 9 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.866 -2.454 25411 4506 1 9 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.814 2.026 25411 4507 1 9 . 1 1 29 29 ALA N N 29 120.743 120.743 127.804 -7.061 25411 4508 1 9 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.134 -0.466 25411 4509 1 9 . 1 1 29 29 ALA CA C 29 54.678 54.678 54.826 -0.148 25411 4510 1 9 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.313 -0.313 25411 4511 1 9 . 1 1 29 29 ALA H H 29 8.323 8.323 8.822 -0.499 25411 4512 1 9 . 1 1 30 30 ASP N N 30 117.202 117.202 118.119 -0.917 25411 4513 1 9 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.449 -0.168 25411 4514 1 9 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.457 0.096 25411 4515 1 9 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.948 -0.141 25411 4516 1 9 . 1 1 30 30 ASP H H 30 6.872 6.872 8.801 -1.929 25411 4517 1 9 . 1 1 31 31 LEU N N 31 122.273 122.273 119.756 2.517 25411 4518 1 9 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.468 -0.922 25411 4519 1 9 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.982 -0.257 25411 4520 1 9 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.256 -1.598 25411 4521 1 9 . 1 1 31 31 LEU H H 31 7.433 7.433 7.684 -0.251 25411 4522 1 9 . 1 1 32 32 LEU N N 32 123.376 123.376 119.342 4.034 25411 4523 1 9 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.209 -0.594 25411 4524 1 9 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.883 0.213 25411 4525 1 9 . 1 1 32 32 LEU CB C 32 40.542 40.542 42.072 -1.530 25411 4526 1 9 . 1 1 32 32 LEU H H 32 8.727 8.727 7.820 0.907 25411 4527 1 9 . 1 1 33 33 LYS N N 33 118.078 118.078 120.133 -2.055 25411 4528 1 9 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.103 0.110 25411 4529 1 9 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.610 -0.512 25411 4530 1 9 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.203 -0.313 25411 4531 1 9 . 1 1 33 33 LYS H H 33 7.149 7.149 7.879 -0.730 25411 4532 1 9 . 1 1 34 34 PHE N N 34 117.398 117.398 120.840 -3.442 25411 4533 1 9 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.397 -4.702 25411 4534 1 9 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.044 2.175 25411 4535 1 9 . 1 1 34 34 PHE H H 34 7.633 7.633 7.855 -0.222 25411 4536 1 9 . 1 1 35 35 PHE HA H 35 3.793 3.793 3.931 -0.138 25411 4537 1 9 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.164 -0.572 25411 4538 1 9 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.227 -2.213 25411 4539 1 9 . 1 1 36 36 ASP N N 36 120.136 120.136 119.138 0.998 25411 4540 1 9 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.580 -0.484 25411 4541 1 9 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.763 -0.822 25411 4542 1 9 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.558 -1.454 25411 4543 1 9 . 1 1 36 36 ASP H H 36 8.330 8.330 8.914 -0.584 25411 4544 1 9 . 1 1 37 37 PHE N N 37 121.883 121.883 120.445 1.438 25411 4545 1 9 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.313 -0.055 25411 4546 1 9 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.281 -1.583 25411 4547 1 9 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.164 1.021 25411 4548 1 9 . 1 1 37 37 PHE H H 37 7.794 7.794 7.857 -0.063 25411 4549 1 9 . 1 1 38 38 VAL N N 38 118.525 118.525 119.104 -0.579 25411 4550 1 9 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.433 -0.394 25411 4551 1 9 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.038 0.844 25411 4552 1 9 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.215 -0.527 25411 4553 1 9 . 1 1 38 38 VAL H H 38 8.262 8.262 7.649 0.613 25411 4554 1 9 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.844 -0.388 25411 4555 1 9 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.733 -0.679 25411 4556 1 9 . 1 1 39 39 LYS CB C 39 31.696 31.696 32.051 -0.355 25411 4557 1 9 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.578 -0.133 25411 4558 1 9 . 1 1 40 40 ASP CA C 40 56.985 56.985 57.177 -0.192 25411 4559 1 9 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.762 -1.070 25411 4560 1 9 . 1 1 41 41 ILE N N 41 120.641 120.641 112.209 8.432 25411 4561 1 9 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.236 -0.211 25411 4562 1 9 . 1 1 41 41 ILE CA C 41 61.652 61.652 62.456 -0.805 25411 4563 1 9 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.438 -0.374 25411 4564 1 9 . 1 1 41 41 ILE H H 41 8.788 8.788 7.714 1.074 25411 4565 1 9 . 1 1 42 42 CYS N N 42 117.896 117.896 119.152 -1.256 25411 4566 1 9 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.589 0.583 25411 4567 1 9 . 1 1 42 42 CYS CB C 42 28.324 28.324 29.108 -0.784 25411 4568 1 9 . 1 1 42 42 CYS H H 42 7.180 7.180 7.532 -0.352 25411 4569 1 9 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.435 -0.120 25411 4570 1 9 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.665 0.338 25411 4571 1 9 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.616 -0.901 25411 4572 1 9 . 1 1 44 44 TRP N N 44 113.823 113.823 118.059 -4.236 25411 4573 1 9 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.560 -0.255 25411 4574 1 9 . 1 1 44 44 TRP CA C 44 55.398 55.398 58.180 -2.782 25411 4575 1 9 . 1 1 44 44 TRP CB C 44 27.811 27.811 30.130 -2.318 25411 4576 1 9 . 1 1 44 44 TRP H H 44 6.591 6.591 8.130 -1.539 25411 4577 1 9 . 1 1 45 45 PHE N N 45 123.100 123.100 118.529 4.571 25411 4578 1 9 . 1 1 45 45 PHE HA H 45 4.001 4.001 4.899 -0.898 25411 4579 1 9 . 1 1 45 45 PHE CA C 45 62.809 62.809 53.678 9.131 25411 4580 1 9 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.559 -3.624 25411 4581 1 9 . 1 1 45 45 PHE H H 45 7.239 7.239 7.703 -0.464 25411 4582 1 9 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.134 -0.122 25411 4583 1 9 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.619 -0.088 25411 4584 1 9 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.776 -1.288 25411 4585 1 9 . 1 1 47 47 GLN N N 47 114.502 114.502 115.902 -1.400 25411 4586 1 9 . 1 1 47 47 GLN HA H 47 3.937 3.937 3.836 0.101 25411 4587 1 9 . 1 1 47 47 GLN CA C 47 58.404 58.404 57.490 0.914 25411 4588 1 9 . 1 1 47 47 GLN CB C 47 28.320 28.320 26.936 1.384 25411 4589 1 9 . 1 1 47 47 GLN H H 47 6.518 6.518 7.918 -1.400 25411 4590 1 9 . 1 1 48 48 GLU N N 48 117.358 117.358 117.786 -0.428 25411 4591 1 9 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.053 -0.015 25411 4592 1 9 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.493 1.679 25411 4593 1 9 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.069 -1.115 25411 4594 1 9 . 1 1 48 48 GLU H H 48 7.318 7.318 7.229 0.089 25411 4595 1 9 . 1 1 49 49 GLY N N 49 105.534 105.534 107.787 -2.253 25411 4596 1 9 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.803 1.500 25411 4597 1 9 . 1 1 49 49 GLY H H 49 7.296 7.296 7.339 -0.043 25411 4598 1 9 . 1 1 50 50 THR N N 50 114.069 114.069 113.589 0.480 25411 4599 1 9 . 1 1 50 50 THR HA H 50 4.234 4.234 4.342 -0.108 25411 4600 1 9 . 1 1 50 50 THR CA C 50 61.683 61.683 61.295 0.388 25411 4601 1 9 . 1 1 50 50 THR CB C 50 70.718 70.718 70.451 0.267 25411 4602 1 9 . 1 1 50 50 THR H H 50 7.597 7.597 7.607 -0.010 25411 4603 1 9 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.222 -0.097 25411 4604 1 9 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.783 -1.913 25411 4605 1 9 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.370 -4.082 25411 4606 1 9 . 1 1 52 52 ASP N N 52 121.791 121.791 120.740 1.051 25411 4607 1 9 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.872 -0.249 25411 4608 1 9 . 1 1 52 52 ASP CA C 52 51.732 51.732 53.433 -1.701 25411 4609 1 9 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.203 -1.742 25411 4610 1 9 . 1 1 52 52 ASP H H 52 7.168 7.168 8.255 -1.087 25411 4611 1 9 . 1 1 53 53 ILE N N 53 119.537 119.537 119.044 0.493 25411 4612 1 9 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.735 -0.600 25411 4613 1 9 . 1 1 53 53 ILE CA C 53 61.796 61.796 61.728 0.068 25411 4614 1 9 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.899 -2.084 25411 4615 1 9 . 1 1 53 53 ILE H H 53 8.336 8.336 8.451 -0.115 25411 4616 1 9 . 1 1 54 54 LYS N N 54 123.592 123.592 122.024 1.568 25411 4617 1 9 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.185 -0.080 25411 4618 1 9 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.026 -0.054 25411 4619 1 9 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.282 -0.535 25411 4620 1 9 . 1 1 54 54 LYS H H 54 8.104 8.104 8.002 0.102 25411 4621 1 9 . 1 1 55 55 ARG N N 55 120.511 120.511 119.532 0.979 25411 4622 1 9 . 1 1 55 55 ARG HA H 55 4.301 4.301 3.984 0.317 25411 4623 1 9 . 1 1 55 55 ARG CA C 55 59.903 59.903 58.917 0.986 25411 4624 1 9 . 1 1 55 55 ARG CB C 55 30.056 30.056 29.918 0.138 25411 4625 1 9 . 1 1 55 55 ARG H H 55 9.196 9.196 8.287 0.909 25411 4626 1 9 . 1 1 56 56 TRP N N 56 120.681 120.681 122.359 -1.678 25411 4627 1 9 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.323 0.380 25411 4628 1 9 . 1 1 56 56 TRP CA C 56 59.406 59.406 59.824 -0.418 25411 4629 1 9 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.265 0.750 25411 4630 1 9 . 1 1 56 56 TRP H H 56 8.899 8.899 9.516 -0.617 25411 4631 1 9 . 1 1 57 57 ARG N N 57 122.115 122.115 120.239 1.876 25411 4632 1 9 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.220 1.187 25411 4633 1 9 . 1 1 57 57 ARG CA C 57 60.027 60.027 58.388 1.639 25411 4634 1 9 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.507 0.279 25411 4635 1 9 . 1 1 57 57 ARG H H 57 9.210 9.210 7.957 1.253 25411 4636 1 9 . 1 1 58 58 ARG N N 58 120.918 120.918 119.194 1.724 25411 4637 1 9 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.606 0.239 25411 4638 1 9 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.012 -0.282 25411 4639 1 9 . 1 1 58 58 ARG H H 58 7.640 7.640 7.558 0.082 25411 4640 1 9 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.665 0.099 25411 4641 1 9 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.908 0.092 25411 4642 1 9 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.454 -0.622 25411 4643 1 9 . 1 1 59 59 VAL H H 59 7.916 7.916 7.736 0.180 25411 4644 1 9 . 1 1 60 60 GLY N N 60 106.856 106.856 107.053 -0.197 25411 4645 1 9 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.108 -1.027 25411 4646 1 9 . 1 1 60 60 GLY H H 60 7.623 7.623 8.314 -0.691 25411 4647 1 9 . 1 1 61 61 ASP N N 61 123.308 123.308 123.398 -0.090 25411 4648 1 9 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.420 -0.195 25411 4649 1 9 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.109 -0.309 25411 4650 1 9 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.660 -1.176 25411 4651 1 9 . 1 1 61 61 ASP H H 61 8.203 8.203 8.098 0.105 25411 4652 1 9 . 1 1 62 62 CYS N N 62 120.841 120.841 118.461 2.380 25411 4653 1 9 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.007 0.231 25411 4654 1 9 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.179 -1.229 25411 4655 1 9 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.784 -0.281 25411 4656 1 9 . 1 1 62 62 CYS H H 62 7.795 7.795 7.542 0.253 25411 4657 1 9 . 1 1 63 63 PHE N N 63 119.763 119.763 118.644 1.119 25411 4658 1 9 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.294 -0.016 25411 4659 1 9 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.287 -2.630 25411 4660 1 9 . 1 1 63 63 PHE CB C 63 36.990 36.990 38.248 -1.258 25411 4661 1 9 . 1 1 63 63 PHE H H 63 8.647 8.647 7.655 0.992 25411 4662 1 9 . 1 1 64 64 GLN N N 64 118.578 118.578 120.080 -1.502 25411 4663 1 9 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.002 0.306 25411 4664 1 9 . 1 1 64 64 GLN CA C 64 59.333 59.333 59.099 0.234 25411 4665 1 9 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.449 0.130 25411 4666 1 9 . 1 1 64 64 GLN H H 64 8.261 8.261 8.507 -0.246 25411 4667 1 9 . 1 1 65 65 ASP N N 65 119.534 119.534 121.341 -1.807 25411 4668 1 9 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.414 0.070 25411 4669 1 9 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.077 0.252 25411 4670 1 9 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.898 -1.227 25411 4671 1 9 . 1 1 65 65 ASP H H 65 8.338 8.338 8.483 -0.145 25411 4672 1 9 . 1 1 66 66 TYR N N 66 123.600 123.600 122.013 1.587 25411 4673 1 9 . 1 1 66 66 TYR HA H 66 4.502 4.502 4.101 0.401 25411 4674 1 9 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.189 -0.958 25411 4675 1 9 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.490 -0.057 25411 4676 1 9 . 1 1 66 66 TYR H H 66 7.804 7.804 8.435 -0.631 25411 4677 1 9 . 1 1 67 67 TYR N N 67 122.825 122.825 118.411 4.414 25411 4678 1 9 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.819 0.178 25411 4679 1 9 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.860 0.043 25411 4680 1 9 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.595 0.351 25411 4681 1 9 . 1 1 67 67 TYR H H 67 9.100 9.100 8.084 1.016 25411 4682 1 9 . 1 1 68 68 ASN N N 68 118.826 118.826 117.196 1.630 25411 4683 1 9 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.412 -0.129 25411 4684 1 9 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.967 -0.535 25411 4685 1 9 . 1 1 68 68 ASN CB C 68 37.876 37.876 37.857 0.019 25411 4686 1 9 . 1 1 68 68 ASN H H 68 8.853 8.853 8.673 0.180 25411 4687 1 9 . 1 1 69 69 THR N N 69 114.242 114.242 115.489 -1.247 25411 4688 1 9 . 1 1 69 69 THR HA H 69 3.837 3.837 4.087 -0.250 25411 4689 1 9 . 1 1 69 69 THR CA C 69 65.328 65.328 65.243 0.086 25411 4690 1 9 . 1 1 69 69 THR CB C 69 69.249 69.249 68.642 0.607 25411 4691 1 9 . 1 1 69 69 THR H H 69 7.847 7.847 8.196 -0.349 25411 4692 1 9 . 1 1 70 70 PHE N N 70 117.970 117.970 119.726 -1.756 25411 4693 1 9 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.157 0.407 25411 4694 1 9 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.464 -0.222 25411 4695 1 9 . 1 1 70 70 PHE CB C 70 41.074 41.074 39.084 1.990 25411 4696 1 9 . 1 1 70 70 PHE H H 70 8.489 8.489 7.258 1.231 25411 4697 1 9 . 1 1 71 71 GLY N N 71 109.516 109.516 108.578 0.938 25411 4698 1 9 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.892 0.140 25411 4699 1 9 . 1 1 71 71 GLY H H 71 7.968 7.968 7.532 0.436 25411 4700 1 9 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.436 0.275 25411 4701 1 9 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.427 0.870 25411 4702 1 9 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.338 0.406 25411 4703 1 9 . 1 1 73 73 GLU N N 73 117.720 117.720 125.520 -7.800 25411 4704 1 9 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.079 -0.180 25411 4705 1 9 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.673 0.063 25411 4706 1 9 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.724 -0.861 25411 4707 1 9 . 1 1 73 73 GLU H H 73 8.586 8.586 8.485 0.101 25411 4708 1 9 . 1 1 74 74 LYS N N 74 116.974 116.974 120.122 -3.148 25411 4709 1 9 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.371 0.018 25411 4710 1 9 . 1 1 74 74 LYS CA C 74 55.185 55.185 55.279 -0.093 25411 4711 1 9 . 1 1 74 74 LYS CB C 74 34.087 34.087 30.672 3.414 25411 4712 1 9 . 1 1 74 74 LYS H H 74 7.505 7.505 8.343 -0.838 25411 4713 1 9 . 1 1 75 75 VAL N N 75 117.309 117.309 123.502 -6.193 25411 4714 1 9 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.144 0.169 25411 4715 1 9 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.151 1.893 25411 4716 1 9 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.163 -0.179 25411 4717 1 9 . 1 1 75 75 VAL H H 75 7.402 7.402 7.279 0.123 25411 4718 1 9 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.569 -0.007 25411 4719 1 9 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.655 -0.968 25411 4720 1 9 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.562 -0.831 25411 4721 1 9 . 1 1 77 77 VAL N N 77 120.870 120.870 121.873 -1.003 25411 4722 1 9 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.207 -0.379 25411 4723 1 9 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.238 1.600 25411 4724 1 9 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.840 -0.453 25411 4725 1 9 . 1 1 77 77 VAL H H 77 8.473 8.473 8.818 -0.345 25411 4726 1 9 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.858 -0.006 25411 4727 1 9 . 1 1 78 78 ILE CA C 78 61.125 61.125 63.797 -2.672 25411 4728 1 9 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.861 0.274 25411 4729 1 9 . 1 1 78 78 ILE H H 78 8.388 8.388 7.933 0.455 25411 4730 1 9 . 1 1 79 79 ALA N N 79 123.960 123.960 122.824 1.136 25411 4731 1 9 . 1 1 79 79 ALA HA H 79 3.890 3.890 3.988 -0.098 25411 4732 1 9 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.590 0.299 25411 4733 1 9 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.283 -0.660 25411 4734 1 9 . 1 1 79 79 ALA H H 79 7.953 7.953 7.941 0.012 25411 4735 1 9 . 1 1 80 80 PHE N N 80 114.330 114.330 114.847 -0.517 25411 4736 1 9 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.547 -0.116 25411 4737 1 9 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.777 1.535 25411 4738 1 9 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.232 -1.576 25411 4739 1 9 . 1 1 80 80 PHE H H 80 7.499 7.499 8.068 -0.569 25411 4740 1 9 . 1 1 81 81 SER N N 81 115.971 115.971 113.616 2.355 25411 4741 1 9 . 1 1 81 81 SER HA H 81 4.206 4.206 4.519 -0.313 25411 4742 1 9 . 1 1 81 81 SER CA C 81 58.432 58.432 59.263 -0.831 25411 4743 1 9 . 1 1 81 81 SER CB C 81 63.575 63.575 63.620 -0.044 25411 4744 1 9 . 1 1 81 81 SER H H 81 8.225 8.225 7.486 0.739 25411 4745 1 9 . 1 1 82 82 TYR N N 82 121.997 121.997 123.426 -1.429 25411 4746 1 9 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.362 0.085 25411 4747 1 9 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.262 -4.377 25411 4748 1 9 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.998 -1.160 25411 4749 1 9 . 1 1 82 82 TYR H H 82 8.378 8.378 7.739 0.639 25411 4750 1 9 . 1 1 83 83 TRP N N 83 120.268 120.268 121.336 -1.068 25411 4751 1 9 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.180 -4.787 25411 4752 1 9 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.968 -1.074 25411 4753 1 9 . 1 1 83 83 TRP H H 83 8.546 8.546 9.395 -0.849 25411 4754 1 9 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.060 0.160 25411 4755 1 9 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.795 -0.166 25411 4756 1 9 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.722 1.343 25411 4757 1 9 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.348 -0.302 25411 4758 1 9 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.457 0.685 25411 4759 1 9 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.960 -0.268 25411 4760 1 9 . 1 1 86 86 ILE N N 86 117.000 117.000 119.758 -2.758 25411 4761 1 9 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.474 -0.028 25411 4762 1 9 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.952 -2.669 25411 4763 1 9 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.149 -1.737 25411 4764 1 9 . 1 1 86 86 ILE H H 86 7.882 7.882 7.666 0.216 25411 4765 1 9 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.875 -0.649 25411 4766 1 9 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.154 0.842 25411 4767 1 9 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.823 -0.773 25411 4768 1 9 . 1 1 88 88 GLU N N 88 116.404 116.404 118.216 -1.812 25411 4769 1 9 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.191 -0.344 25411 4770 1 9 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.114 0.797 25411 4771 1 9 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.305 -0.336 25411 4772 1 9 . 1 1 88 88 GLU H H 88 7.689 7.689 7.283 0.406 25411 4773 1 9 . 1 1 89 89 LEU N N 89 118.193 118.193 122.402 -4.209 25411 4774 1 9 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.385 -0.496 25411 4775 1 9 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.986 0.977 25411 4776 1 9 . 1 1 89 89 LEU CB C 89 41.300 41.300 41.827 -0.527 25411 4777 1 9 . 1 1 89 89 LEU H H 89 7.415 7.415 8.138 -0.723 25411 4778 1 9 . 1 1 90 90 ILE N N 90 115.471 115.471 121.286 -5.815 25411 4779 1 9 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.629 -0.211 25411 4780 1 9 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.277 0.631 25411 4781 1 9 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.604 -0.010 25411 4782 1 9 . 1 1 90 90 ILE H H 90 7.718 7.718 7.769 -0.051 25411 4783 1 9 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.299 -0.579 25411 4784 1 9 . 1 1 91 91 ASP CA C 91 57.664 57.664 57.404 0.260 25411 4785 1 9 . 1 1 91 91 ASP CB C 91 40.532 40.532 39.656 0.876 25411 4786 1 9 . 1 1 92 92 LYS N N 92 119.253 119.253 119.528 -0.275 25411 4787 1 9 . 1 1 92 92 LYS CA C 92 58.897 58.897 57.872 1.025 25411 4788 1 9 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.241 -0.253 25411 4789 1 9 . 1 1 92 92 LYS H H 92 7.869 7.869 7.809 0.060 25411 4790 1 9 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.068 0.463 25411 4791 1 9 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.767 -3.509 25411 4792 1 9 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.221 -0.052 25411 4793 1 9 . 1 1 94 94 GLU N N 94 116.729 116.729 120.515 -3.786 25411 4794 1 9 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.121 0.012 25411 4795 1 9 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.023 0.296 25411 4796 1 9 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.348 -1.973 25411 4797 1 9 . 1 1 94 94 GLU H H 94 8.393 8.393 7.694 0.699 25411 4798 1 9 . 1 1 95 95 VAL N N 95 121.696 121.696 117.630 4.066 25411 4799 1 9 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.849 0.633 25411 4800 1 9 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.687 3.034 25411 4801 1 9 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.478 1.416 25411 4802 1 9 . 1 1 95 95 VAL H H 95 7.923 7.923 7.733 0.190 25411 4803 1 9 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.617 -0.259 25411 4804 1 9 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.497 0.110 25411 4805 1 9 . 1 1 97 97 PRO CB C 97 31.874 31.874 33.194 -1.320 25411 4806 1 9 . 1 1 98 98 GLN N N 98 117.731 117.731 118.728 -0.997 25411 4807 1 9 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.106 -0.181 25411 4808 1 9 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.260 0.348 25411 4809 1 9 . 1 1 98 98 GLN CB C 98 28.521 28.521 28.030 0.491 25411 4810 1 9 . 1 1 98 98 GLN H H 98 8.359 8.359 8.546 -0.187 25411 4811 1 9 . 1 1 99 99 VAL N N 99 121.326 121.326 118.271 3.055 25411 4812 1 9 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.845 -0.425 25411 4813 1 9 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.667 0.737 25411 4814 1 9 . 1 1 99 99 VAL CB C 99 31.619 31.619 30.987 0.632 25411 4815 1 9 . 1 1 99 99 VAL H H 99 7.901 7.901 8.434 -0.533 25411 4816 1 9 . 1 1 100 100 MET N N 100 120.447 120.447 116.263 4.184 25411 4817 1 9 . 1 1 100 100 MET HA H 100 3.812 3.812 4.462 -0.650 25411 4818 1 9 . 1 1 100 100 MET CA C 100 59.297 59.297 56.521 2.776 25411 4819 1 9 . 1 1 100 100 MET CB C 100 32.099 32.099 32.396 -0.297 25411 4820 1 9 . 1 1 100 100 MET H H 100 7.509 7.509 7.700 -0.191 25411 4821 1 9 . 1 1 101 101 ALA N N 101 119.458 119.458 121.363 -1.905 25411 4822 1 9 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.255 -0.045 25411 4823 1 9 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.292 0.459 25411 4824 1 9 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.563 -1.042 25411 4825 1 9 . 1 1 101 101 ALA H H 101 7.889 7.889 7.851 0.038 25411 4826 1 9 . 1 1 102 102 ALA N N 102 119.627 119.627 121.225 -1.598 25411 4827 1 9 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.154 -0.161 25411 4828 1 9 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.577 0.311 25411 4829 1 9 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.499 -1.155 25411 4830 1 9 . 1 1 102 102 ALA H H 102 7.563 7.563 8.341 -0.778 25411 4831 1 9 . 1 1 103 103 VAL N N 103 122.690 122.690 119.202 3.488 25411 4832 1 9 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.849 0.224 25411 4833 1 9 . 1 1 103 103 VAL CA C 103 61.685 61.685 66.232 -4.547 25411 4834 1 9 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.654 1.567 25411 4835 1 9 . 1 1 103 103 VAL H H 103 8.828 8.828 7.484 1.344 25411 4836 1 9 . 1 1 104 104 ALA N N 104 128.041 128.041 118.899 9.142 25411 4837 1 9 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.214 0.055 25411 4838 1 9 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.725 -2.584 25411 4839 1 9 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.448 0.492 25411 4840 1 9 . 1 1 104 104 ALA H H 104 8.367 8.367 7.553 0.814 25411 4841 1 9 . 1 1 105 105 GLN N N 105 120.265 120.265 115.680 4.585 25411 4842 1 9 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.059 -0.129 25411 4843 1 9 . 1 1 105 105 GLN CB C 105 29.020 29.020 30.170 -1.150 25411 4844 1 9 . 1 1 105 105 GLN H H 105 8.356 8.356 7.965 0.391 25411 4845 1 9 . 1 1 106 106 THR HA H 106 4.320 4.320 4.404 -0.084 25411 4846 1 9 . 1 1 106 106 THR CA C 106 61.346 61.346 63.515 -2.169 25411 4847 1 9 . 1 1 106 106 THR CB C 106 69.293 69.293 69.006 0.287 25411 4848 1 9 . 1 1 107 107 GLU N N 107 122.706 122.706 120.476 2.230 25411 4849 1 9 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.232 -0.050 25411 4850 1 9 . 1 1 107 107 GLU CA C 107 56.576 56.576 58.290 -1.714 25411 4851 1 9 . 1 1 107 107 GLU CB C 107 29.936 29.936 30.824 -0.888 25411 4852 1 9 . 1 1 107 107 GLU H H 107 8.404 8.404 7.606 0.798 25411 4853 1 9 . 1 1 108 108 GLU N N 108 122.034 122.034 115.347 6.687 25411 4854 1 9 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.181 -0.020 25411 4855 1 9 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.163 -0.514 25411 4856 1 9 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.628 0.048 25411 4857 1 9 . 1 1 108 108 GLU H H 108 7.341 7.341 7.808 -0.467 25411 4858 1 9 . 1 1 109 109 ILE N N 109 122.151 122.151 115.008 7.143 25411 4859 1 9 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.289 -0.242 25411 4860 1 9 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.605 -1.040 25411 4861 1 9 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.492 -0.388 25411 4862 1 9 . 1 1 109 109 ILE H H 109 8.058 8.058 8.692 -0.634 25411 4863 1 9 . 1 1 110 110 LEU N N 110 122.427 122.427 121.442 0.985 25411 4864 1 9 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.085 0.191 25411 4865 1 9 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.627 -1.476 25411 4866 1 9 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.664 -8.409 25411 4867 1 9 . 1 1 110 110 LEU H H 110 8.194 8.194 8.088 0.106 25411 4868 1 9 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.156 0.091 25411 4869 1 9 . 1 1 111 111 LYS CA C 111 56.137 56.137 58.238 -2.101 25411 4870 1 9 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.139 0.430 25411 4871 1 9 . 1 1 112 112 SER N N 112 116.453 116.453 110.778 5.675 25411 4872 1 9 . 1 1 112 112 SER HA H 112 4.175 4.175 4.054 0.121 25411 4873 1 9 . 1 1 112 112 SER CA C 112 58.311 58.311 60.611 -2.300 25411 4874 1 9 . 1 1 112 112 SER CB C 112 63.441 63.441 62.962 0.478 25411 4875 1 9 . 1 1 112 112 SER H H 112 8.204 8.204 8.119 0.085 25411 4876 1 9 . 1 1 113 113 ASN N N 113 119.747 119.747 115.707 4.040 25411 4877 1 9 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.799 -0.155 25411 4878 1 9 . 1 1 113 113 ASN CA C 113 53.645 53.645 51.925 1.720 25411 4879 1 9 . 1 1 113 113 ASN CB C 113 38.646 38.646 40.228 -1.582 25411 4880 1 9 . 1 1 113 113 ASN H H 113 7.944 7.944 7.449 0.495 25411 4881 1 9 . 1 1 114 114 SER N N 114 115.433 115.433 113.800 1.633 25411 4882 1 9 . 1 1 114 114 SER HA H 114 4.336 4.336 4.548 -0.212 25411 4883 1 9 . 1 1 114 114 SER CA C 114 58.711 58.711 59.239 -0.528 25411 4884 1 9 . 1 1 114 114 SER CB C 114 63.308 63.308 62.197 1.111 25411 4885 1 9 . 1 1 114 114 SER H H 114 7.962 7.962 8.608 -0.646 25411 4886 1 9 . 1 1 115 115 GLN N N 115 121.682 121.682 118.832 2.850 25411 4887 1 9 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.529 -0.255 25411 4888 1 9 . 1 1 115 115 GLN CA C 115 56.193 56.193 55.340 0.853 25411 4889 1 9 . 1 1 115 115 GLN CB C 115 28.807 28.807 31.811 -3.003 25411 4890 1 9 . 1 1 115 115 GLN H H 115 8.207 8.207 8.023 0.184 25411 4891 1 9 . 1 1 116 116 THR N N 116 114.715 114.715 109.413 5.302 25411 4892 1 9 . 1 1 116 116 THR HA H 116 4.225 4.225 4.877 -0.652 25411 4893 1 9 . 1 1 116 116 THR CA C 116 62.109 62.109 59.738 2.371 25411 4894 1 9 . 1 1 116 116 THR CB C 116 69.336 69.336 71.716 -2.380 25411 4895 1 9 . 1 1 116 116 THR H H 116 8.062 8.062 7.892 0.170 25411 4896 1 9 . 1 1 117 117 ASP N N 117 122.602 122.602 120.430 2.172 25411 4897 1 9 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.513 0.055 25411 4898 1 9 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.362 -2.158 25411 4899 1 9 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.125 0.540 25411 4900 1 9 . 1 1 117 117 ASP H H 117 8.065 8.065 8.909 -0.844 25411 4901 1 9 . 1 1 118 118 LEU N N 118 122.140 122.140 120.903 1.237 25411 4902 1 9 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.073 0.082 25411 4903 1 9 . 1 1 118 118 LEU CA C 118 55.423 55.423 53.799 1.624 25411 4904 1 9 . 1 1 118 118 LEU CB C 118 41.873 41.873 39.437 2.436 25411 4905 1 9 . 1 1 118 118 LEU H H 118 8.085 8.085 7.776 0.309 25411 4906 1 9 . 1 1 119 119 GLU N N 119 119.672 119.672 120.964 -1.292 25411 4907 1 9 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.145 -0.077 25411 4908 1 9 . 1 1 119 119 GLU CA C 119 56.565 56.565 56.173 0.392 25411 4909 1 9 . 1 1 119 119 GLU CB C 119 29.572 29.572 28.010 1.562 25411 4910 1 9 . 1 1 119 119 GLU H H 119 8.143 8.143 8.069 0.074 25411 4911 1 9 . 1 1 120 120 HIS N N 120 118.301 118.301 118.523 -0.222 25411 4912 1 9 . 1 1 120 120 HIS CA C 120 55.883 55.883 57.376 -1.493 25411 4913 1 9 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.788 -0.518 25411 4914 1 9 . 1 1 120 120 HIS H H 120 8.107 8.107 7.775 0.332 25411 4915 1 9 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.656 -0.648 25411 4916 1 9 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.274 -0.108 25411 4917 1 9 . 1 1 121 121 HIS CB C 121 28.759 28.759 30.336 -1.577 25411 4918 1 9 . 1 1 122 122 HIS N N 122 122.407 122.407 116.817 5.590 25411 4919 1 9 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.806 -0.588 25411 4920 1 9 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.025 2.056 25411 4921 1 9 . 1 1 122 122 HIS CB C 122 29.371 29.371 31.552 -2.180 25411 4922 1 9 . 1 1 122 122 HIS H H 122 8.489 8.489 7.216 1.273 25411 4923 1 9 . 1 1 123 123 HIS N N 123 122.868 122.868 118.380 4.488 25411 4924 1 9 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.253 0.134 25411 4925 1 9 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.176 -0.866 25411 4926 1 9 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.670 -0.168 25411 4927 1 9 . 1 1 123 123 HIS H H 123 8.596 8.596 8.298 0.298 25411 4928 1 9 . 1 1 124 124 HIS N N 124 123.734 123.734 121.337 2.397 25411 4929 1 9 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.876 -0.319 25411 4930 1 9 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.258 1.127 25411 4931 1 9 . 1 1 124 124 HIS CB C 124 29.358 29.358 29.680 -0.322 25411 4932 1 9 . 1 1 124 124 HIS H H 124 8.255 8.255 8.162 0.093 25411 4933 1 10 . 1 1 3 3 GLN N N 3 122.360 122.360 121.316 1.044 25411 4934 1 10 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.293 -0.405 25411 4935 1 10 . 1 1 3 3 GLN CA C 3 58.742 58.742 57.098 1.644 25411 4936 1 10 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.303 0.080 25411 4937 1 10 . 1 1 3 3 GLN H H 3 9.398 9.398 8.745 0.653 25411 4938 1 10 . 1 1 4 4 GLU N N 4 119.689 119.689 120.378 -0.689 25411 4939 1 10 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.183 0.491 25411 4940 1 10 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.507 0.300 25411 4941 1 10 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.521 0.179 25411 4942 1 10 . 1 1 4 4 GLU H H 4 7.464 7.464 8.825 -1.361 25411 4943 1 10 . 1 1 5 5 LEU N N 5 114.872 114.872 123.029 -8.157 25411 4944 1 10 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.239 -0.538 25411 4945 1 10 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.173 -0.435 25411 4946 1 10 . 1 1 5 5 LEU CB C 5 40.815 40.815 42.062 -1.247 25411 4947 1 10 . 1 1 5 5 LEU H H 5 8.206 8.206 7.937 0.269 25411 4948 1 10 . 1 1 6 6 SER N N 6 109.762 109.762 113.572 -3.810 25411 4949 1 10 . 1 1 6 6 SER HA H 6 4.092 4.092 4.107 -0.015 25411 4950 1 10 . 1 1 6 6 SER CA C 6 60.415 60.415 61.897 -1.482 25411 4951 1 10 . 1 1 6 6 SER CB C 6 63.391 63.391 62.540 0.851 25411 4952 1 10 . 1 1 6 6 SER H H 6 8.253 8.253 8.239 0.014 25411 4953 1 10 . 1 1 7 7 GLN N N 7 117.498 117.498 122.940 -5.442 25411 4954 1 10 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.150 -0.195 25411 4955 1 10 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.724 -0.299 25411 4956 1 10 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.297 0.442 25411 4957 1 10 . 1 1 7 7 GLN H H 7 8.673 8.673 7.537 1.136 25411 4958 1 10 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.271 -0.474 25411 4959 1 10 . 1 1 8 8 HIS CA C 8 59.055 59.055 60.092 -1.037 25411 4960 1 10 . 1 1 8 8 HIS CB C 8 29.109 29.109 29.826 -0.717 25411 4961 1 10 . 1 1 9 9 GLU N N 9 120.354 120.354 119.982 0.372 25411 4962 1 10 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.094 -0.135 25411 4963 1 10 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.556 0.702 25411 4964 1 10 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.674 -0.447 25411 4965 1 10 . 1 1 9 9 GLU H H 9 7.690 7.690 8.647 -0.957 25411 4966 1 10 . 1 1 10 10 ARG N N 10 118.753 118.753 119.729 -0.976 25411 4967 1 10 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.052 0.047 25411 4968 1 10 . 1 1 10 10 ARG CA C 10 58.221 58.221 58.948 -0.727 25411 4969 1 10 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.040 -0.945 25411 4970 1 10 . 1 1 10 10 ARG H H 10 8.928 8.928 8.284 0.644 25411 4971 1 10 . 1 1 11 11 TYR N N 11 121.288 121.288 119.733 1.555 25411 4972 1 10 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.239 -0.050 25411 4973 1 10 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.457 -1.221 25411 4974 1 10 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.494 -0.633 25411 4975 1 10 . 1 1 11 11 TYR H H 11 7.562 7.562 8.713 -1.151 25411 4976 1 10 . 1 1 12 12 VAL N N 12 119.304 119.304 119.539 -0.235 25411 4977 1 10 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.578 -0.495 25411 4978 1 10 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.671 0.164 25411 4979 1 10 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.690 -0.591 25411 4980 1 10 . 1 1 12 12 VAL H H 12 8.075 8.075 8.268 -0.194 25411 4981 1 10 . 1 1 13 13 GLU N N 13 119.685 119.685 119.298 0.387 25411 4982 1 10 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.036 0.119 25411 4983 1 10 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.110 0.315 25411 4984 1 10 . 1 1 13 13 GLU CB C 13 29.188 29.188 28.937 0.251 25411 4985 1 10 . 1 1 13 13 GLU H H 13 8.278 8.278 7.830 0.448 25411 4986 1 10 . 1 1 14 14 GLN N N 14 119.682 119.682 120.116 -0.434 25411 4987 1 10 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.032 -0.376 25411 4988 1 10 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.718 1.251 25411 4989 1 10 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.198 1.475 25411 4990 1 10 . 1 1 14 14 GLN H H 14 7.653 7.653 8.166 -0.513 25411 4991 1 10 . 1 1 15 15 LEU N N 15 121.000 121.000 119.460 1.540 25411 4992 1 10 . 1 1 15 15 LEU HA H 15 3.921 3.921 3.958 -0.037 25411 4993 1 10 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.807 0.648 25411 4994 1 10 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.051 -0.291 25411 4995 1 10 . 1 1 15 15 LEU H H 15 8.402 8.402 8.580 -0.178 25411 4996 1 10 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.856 -0.160 25411 4997 1 10 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.284 -0.026 25411 4998 1 10 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.287 -0.152 25411 4999 1 10 . 1 1 17 17 GLN N N 17 117.558 117.558 118.533 -0.975 25411 5000 1 10 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.054 -0.167 25411 5001 1 10 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.684 -0.242 25411 5002 1 10 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.701 -0.656 25411 5003 1 10 . 1 1 17 17 GLN H H 17 7.849 7.849 8.012 -0.163 25411 5004 1 10 . 1 1 18 18 ALA N N 18 120.288 120.288 123.170 -2.882 25411 5005 1 10 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.157 -0.369 25411 5006 1 10 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.904 -0.011 25411 5007 1 10 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.566 -1.170 25411 5008 1 10 . 1 1 18 18 ALA H H 18 8.504 8.504 8.397 0.107 25411 5009 1 10 . 1 1 19 19 LEU N N 19 116.974 116.974 118.091 -1.117 25411 5010 1 10 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.063 -0.304 25411 5011 1 10 . 1 1 19 19 LEU CA C 19 57.552 57.552 57.073 0.479 25411 5012 1 10 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.712 -1.019 25411 5013 1 10 . 1 1 19 19 LEU H H 19 8.143 8.143 8.421 -0.278 25411 5014 1 10 . 1 1 20 20 LYS N N 20 117.776 117.776 122.002 -4.226 25411 5015 1 10 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.139 -0.184 25411 5016 1 10 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.176 0.368 25411 5017 1 10 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.136 -1.650 25411 5018 1 10 . 1 1 20 20 LYS H H 20 8.340 8.340 8.141 0.199 25411 5019 1 10 . 1 1 21 21 THR N N 21 116.373 116.373 112.033 4.340 25411 5020 1 10 . 1 1 21 21 THR HA H 21 4.107 4.107 4.209 -0.102 25411 5021 1 10 . 1 1 21 21 THR CA C 21 64.611 64.611 64.517 0.094 25411 5022 1 10 . 1 1 21 21 THR CB C 21 68.811 68.811 68.294 0.516 25411 5023 1 10 . 1 1 21 21 THR H H 21 7.302 7.302 7.952 -0.650 25411 5024 1 10 . 1 1 22 22 ARG N N 22 118.647 118.647 119.569 -0.922 25411 5025 1 10 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.472 -0.110 25411 5026 1 10 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.823 -1.758 25411 5027 1 10 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.160 -1.632 25411 5028 1 10 . 1 1 22 22 ARG H H 22 7.290 7.290 7.792 -0.502 25411 5029 1 10 . 1 1 23 23 GLY N N 23 108.637 108.637 107.786 0.851 25411 5030 1 10 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.686 0.426 25411 5031 1 10 . 1 1 23 23 GLY H H 23 7.881 7.881 7.799 0.082 25411 5032 1 10 . 1 1 24 24 VAL N N 24 117.390 117.390 123.940 -6.550 25411 5033 1 10 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.844 0.171 25411 5034 1 10 . 1 1 24 24 VAL CA C 24 61.668 61.668 61.906 -0.238 25411 5035 1 10 . 1 1 24 24 VAL CB C 24 32.372 32.372 28.655 3.717 25411 5036 1 10 . 1 1 24 24 VAL H H 24 7.333 7.333 7.607 -0.274 25411 5037 1 10 . 1 1 25 25 LYS N N 25 127.322 127.322 120.508 6.814 25411 5038 1 10 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.881 0.451 25411 5039 1 10 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.688 -1.925 25411 5040 1 10 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.296 0.465 25411 5041 1 10 . 1 1 25 25 LYS H H 25 8.722 8.722 8.371 0.351 25411 5042 1 10 . 1 1 26 26 VAL N N 26 120.568 120.568 120.623 -0.055 25411 5043 1 10 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.197 -0.119 25411 5044 1 10 . 1 1 26 26 VAL CA C 26 60.665 60.665 60.793 -0.128 25411 5045 1 10 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.979 -0.332 25411 5046 1 10 . 1 1 26 26 VAL H H 26 7.119 7.119 8.161 -1.042 25411 5047 1 10 . 1 1 27 27 LYS N N 27 125.675 125.675 126.416 -0.741 25411 5048 1 10 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.397 -0.071 25411 5049 1 10 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.514 -0.103 25411 5050 1 10 . 1 1 27 27 LYS CB C 27 31.959 31.959 35.612 -3.653 25411 5051 1 10 . 1 1 27 27 LYS H H 27 8.570 8.570 8.038 0.532 25411 5052 1 10 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.533 -0.516 25411 5053 1 10 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.912 -2.500 25411 5054 1 10 . 1 1 28 28 TYR CB C 28 40.840 40.840 39.109 1.731 25411 5055 1 10 . 1 1 29 29 ALA N N 29 120.743 120.743 128.119 -7.376 25411 5056 1 10 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.213 -0.545 25411 5057 1 10 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.082 -0.404 25411 5058 1 10 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.826 -0.826 25411 5059 1 10 . 1 1 29 29 ALA H H 29 8.323 8.323 8.797 -0.474 25411 5060 1 10 . 1 1 30 30 ASP N N 30 117.202 117.202 118.257 -1.055 25411 5061 1 10 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.363 -0.082 25411 5062 1 10 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.286 0.267 25411 5063 1 10 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.849 -0.042 25411 5064 1 10 . 1 1 30 30 ASP H H 30 6.872 6.872 8.618 -1.746 25411 5065 1 10 . 1 1 31 31 LEU N N 31 122.273 122.273 119.224 3.049 25411 5066 1 10 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.334 -0.788 25411 5067 1 10 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.716 0.009 25411 5068 1 10 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.282 -1.624 25411 5069 1 10 . 1 1 31 31 LEU H H 31 7.433 7.433 7.722 -0.289 25411 5070 1 10 . 1 1 32 32 LEU N N 32 123.376 123.376 118.544 4.832 25411 5071 1 10 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.145 -0.530 25411 5072 1 10 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.759 0.337 25411 5073 1 10 . 1 1 32 32 LEU CB C 32 40.542 40.542 42.003 -1.461 25411 5074 1 10 . 1 1 32 32 LEU H H 32 8.727 8.727 7.936 0.791 25411 5075 1 10 . 1 1 33 33 LYS N N 33 118.078 118.078 120.715 -2.637 25411 5076 1 10 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.241 -0.028 25411 5077 1 10 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.686 -0.588 25411 5078 1 10 . 1 1 33 33 LYS CB C 33 31.890 31.890 31.995 -0.106 25411 5079 1 10 . 1 1 33 33 LYS H H 33 7.149 7.149 7.814 -0.665 25411 5080 1 10 . 1 1 34 34 PHE N N 34 117.398 117.398 120.538 -3.140 25411 5081 1 10 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.800 -5.104 25411 5082 1 10 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.117 2.102 25411 5083 1 10 . 1 1 34 34 PHE H H 34 7.633 7.633 8.035 -0.402 25411 5084 1 10 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.120 -0.327 25411 5085 1 10 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.837 -0.244 25411 5086 1 10 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.337 -2.323 25411 5087 1 10 . 1 1 36 36 ASP N N 36 120.136 120.136 119.862 0.274 25411 5088 1 10 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.490 -0.394 25411 5089 1 10 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.580 -0.639 25411 5090 1 10 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.966 -1.862 25411 5091 1 10 . 1 1 36 36 ASP H H 36 8.330 8.330 8.776 -0.446 25411 5092 1 10 . 1 1 37 37 PHE N N 37 121.883 121.883 118.665 3.218 25411 5093 1 10 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.457 -0.199 25411 5094 1 10 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.898 -2.200 25411 5095 1 10 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.428 0.757 25411 5096 1 10 . 1 1 37 37 PHE H H 37 7.794 7.794 8.410 -0.616 25411 5097 1 10 . 1 1 38 38 VAL N N 38 118.525 118.525 119.678 -1.153 25411 5098 1 10 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.515 -0.476 25411 5099 1 10 . 1 1 38 38 VAL CA C 38 66.882 66.882 65.994 0.888 25411 5100 1 10 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.219 -0.531 25411 5101 1 10 . 1 1 38 38 VAL H H 38 8.262 8.262 7.797 0.465 25411 5102 1 10 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.925 -0.469 25411 5103 1 10 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.141 -0.087 25411 5104 1 10 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.976 -0.280 25411 5105 1 10 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.528 -0.083 25411 5106 1 10 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.333 0.652 25411 5107 1 10 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.610 -0.918 25411 5108 1 10 . 1 1 41 41 ILE N N 41 120.641 120.641 120.231 0.410 25411 5109 1 10 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.071 -0.046 25411 5110 1 10 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.918 -3.266 25411 5111 1 10 . 1 1 41 41 ILE CB C 41 38.064 38.064 39.111 -1.047 25411 5112 1 10 . 1 1 41 41 ILE H H 41 8.788 8.788 8.453 0.335 25411 5113 1 10 . 1 1 42 42 CYS N N 42 117.896 117.896 114.885 3.011 25411 5114 1 10 . 1 1 42 42 CYS CA C 42 56.172 56.172 57.170 -0.998 25411 5115 1 10 . 1 1 42 42 CYS CB C 42 28.324 28.324 28.294 0.030 25411 5116 1 10 . 1 1 42 42 CYS H H 42 7.180 7.180 7.907 -0.727 25411 5117 1 10 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.047 0.268 25411 5118 1 10 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.898 0.105 25411 5119 1 10 . 1 1 43 43 PRO CB C 43 30.715 30.715 30.961 -0.246 25411 5120 1 10 . 1 1 44 44 TRP N N 44 113.823 113.823 115.400 -1.577 25411 5121 1 10 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.556 -0.251 25411 5122 1 10 . 1 1 44 44 TRP CA C 44 55.398 55.398 56.492 -1.093 25411 5123 1 10 . 1 1 44 44 TRP CB C 44 27.811 27.811 28.996 -1.185 25411 5124 1 10 . 1 1 44 44 TRP H H 44 6.591 6.591 7.589 -0.998 25411 5125 1 10 . 1 1 45 45 PHE N N 45 123.100 123.100 116.452 6.648 25411 5126 1 10 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.011 -1.010 25411 5127 1 10 . 1 1 45 45 PHE CA C 45 62.809 62.809 55.510 7.299 25411 5128 1 10 . 1 1 45 45 PHE CB C 45 34.935 34.935 37.837 -2.902 25411 5129 1 10 . 1 1 45 45 PHE H H 45 7.239 7.239 7.858 -0.619 25411 5130 1 10 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.111 -0.099 25411 5131 1 10 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.887 -0.356 25411 5132 1 10 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.675 -1.188 25411 5133 1 10 . 1 1 47 47 GLN N N 47 114.502 114.502 117.106 -2.604 25411 5134 1 10 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.121 -0.184 25411 5135 1 10 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.206 0.198 25411 5136 1 10 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.618 0.702 25411 5137 1 10 . 1 1 47 47 GLN H H 47 6.518 6.518 8.525 -2.007 25411 5138 1 10 . 1 1 48 48 GLU N N 48 117.358 117.358 119.056 -1.698 25411 5139 1 10 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.227 -0.189 25411 5140 1 10 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.817 1.355 25411 5141 1 10 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.219 -1.265 25411 5142 1 10 . 1 1 48 48 GLU H H 48 7.318 7.318 7.902 -0.584 25411 5143 1 10 . 1 1 49 49 GLY N N 49 105.534 105.534 109.036 -3.502 25411 5144 1 10 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.995 1.308 25411 5145 1 10 . 1 1 49 49 GLY H H 49 7.296 7.296 8.198 -0.902 25411 5146 1 10 . 1 1 50 50 THR N N 50 114.069 114.069 112.831 1.238 25411 5147 1 10 . 1 1 50 50 THR HA H 50 4.234 4.234 4.464 -0.230 25411 5148 1 10 . 1 1 50 50 THR CA C 50 61.683 61.683 60.179 1.504 25411 5149 1 10 . 1 1 50 50 THR CB C 50 70.718 70.718 70.714 0.004 25411 5150 1 10 . 1 1 50 50 THR H H 50 7.597 7.597 7.395 0.202 25411 5151 1 10 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.262 -0.137 25411 5152 1 10 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.006 -1.136 25411 5153 1 10 . 1 1 51 51 ILE CB C 51 35.288 35.288 38.964 -3.676 25411 5154 1 10 . 1 1 52 52 ASP N N 52 121.791 121.791 122.842 -1.051 25411 5155 1 10 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.703 -0.080 25411 5156 1 10 . 1 1 52 52 ASP CA C 52 51.732 51.732 53.032 -1.300 25411 5157 1 10 . 1 1 52 52 ASP CB C 52 42.461 42.461 43.865 -1.405 25411 5158 1 10 . 1 1 52 52 ASP H H 52 7.168 7.168 8.167 -0.999 25411 5159 1 10 . 1 1 53 53 ILE N N 53 119.537 119.537 118.409 1.128 25411 5160 1 10 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.552 -0.417 25411 5161 1 10 . 1 1 53 53 ILE CA C 53 61.796 61.796 61.621 0.175 25411 5162 1 10 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.974 -2.159 25411 5163 1 10 . 1 1 53 53 ILE H H 53 8.336 8.336 8.547 -0.211 25411 5164 1 10 . 1 1 54 54 LYS N N 54 123.592 123.592 122.048 1.544 25411 5165 1 10 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.216 -0.111 25411 5166 1 10 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.046 -0.074 25411 5167 1 10 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.292 -0.544 25411 5168 1 10 . 1 1 54 54 LYS H H 54 8.104 8.104 8.127 -0.023 25411 5169 1 10 . 1 1 55 55 ARG N N 55 120.511 120.511 119.202 1.309 25411 5170 1 10 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.157 0.144 25411 5171 1 10 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.342 0.561 25411 5172 1 10 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.346 -0.290 25411 5173 1 10 . 1 1 55 55 ARG H H 55 9.196 9.196 9.171 0.025 25411 5174 1 10 . 1 1 56 56 TRP N N 56 120.681 120.681 122.539 -1.858 25411 5175 1 10 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.556 0.147 25411 5176 1 10 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.064 -0.658 25411 5177 1 10 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.084 0.930 25411 5178 1 10 . 1 1 56 56 TRP H H 56 8.899 8.899 9.195 -0.296 25411 5179 1 10 . 1 1 57 57 ARG N N 57 122.115 122.115 120.055 2.060 25411 5180 1 10 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.285 1.122 25411 5181 1 10 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.464 0.563 25411 5182 1 10 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.853 -0.067 25411 5183 1 10 . 1 1 57 57 ARG H H 57 9.210 9.210 7.939 1.271 25411 5184 1 10 . 1 1 58 58 ARG N N 58 120.918 120.918 118.881 2.037 25411 5185 1 10 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.654 0.192 25411 5186 1 10 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.279 -0.550 25411 5187 1 10 . 1 1 58 58 ARG H H 58 7.640 7.640 7.588 0.052 25411 5188 1 10 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.609 0.155 25411 5189 1 10 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.371 0.629 25411 5190 1 10 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.618 -0.786 25411 5191 1 10 . 1 1 59 59 VAL H H 59 7.916 7.916 7.883 0.033 25411 5192 1 10 . 1 1 60 60 GLY N N 60 106.856 106.856 107.554 -0.698 25411 5193 1 10 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.114 -1.033 25411 5194 1 10 . 1 1 60 60 GLY H H 60 7.623 7.623 8.225 -0.602 25411 5195 1 10 . 1 1 61 61 ASP N N 61 123.308 123.308 122.168 1.140 25411 5196 1 10 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.452 -0.227 25411 5197 1 10 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.889 -0.089 25411 5198 1 10 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.630 -1.146 25411 5199 1 10 . 1 1 61 61 ASP H H 61 8.203 8.203 8.046 0.157 25411 5200 1 10 . 1 1 62 62 CYS N N 62 120.841 120.841 118.584 2.257 25411 5201 1 10 . 1 1 62 62 CYS HA H 62 4.238 4.238 3.984 0.254 25411 5202 1 10 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.119 -1.169 25411 5203 1 10 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.677 -0.174 25411 5204 1 10 . 1 1 62 62 CYS H H 62 7.795 7.795 7.425 0.370 25411 5205 1 10 . 1 1 63 63 PHE N N 63 119.763 119.763 118.304 1.459 25411 5206 1 10 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.260 0.018 25411 5207 1 10 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.188 -2.531 25411 5208 1 10 . 1 1 63 63 PHE CB C 63 36.990 36.990 37.725 -0.735 25411 5209 1 10 . 1 1 63 63 PHE H H 63 8.647 8.647 7.542 1.105 25411 5210 1 10 . 1 1 64 64 GLN N N 64 118.578 118.578 119.854 -1.276 25411 5211 1 10 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.042 0.266 25411 5212 1 10 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.822 0.511 25411 5213 1 10 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.411 0.168 25411 5214 1 10 . 1 1 64 64 GLN H H 64 8.261 8.261 8.407 -0.146 25411 5215 1 10 . 1 1 65 65 ASP N N 65 119.534 119.534 121.625 -2.091 25411 5216 1 10 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.394 0.090 25411 5217 1 10 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.275 0.054 25411 5218 1 10 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.987 -1.316 25411 5219 1 10 . 1 1 65 65 ASP H H 65 8.338 8.338 8.533 -0.195 25411 5220 1 10 . 1 1 66 66 TYR N N 66 123.600 123.600 122.039 1.561 25411 5221 1 10 . 1 1 66 66 TYR HA H 66 4.502 4.502 4.096 0.406 25411 5222 1 10 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.205 -0.974 25411 5223 1 10 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.601 -0.168 25411 5224 1 10 . 1 1 66 66 TYR H H 66 7.804 7.804 8.408 -0.604 25411 5225 1 10 . 1 1 67 67 TYR N N 67 122.825 122.825 118.386 4.439 25411 5226 1 10 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.955 0.042 25411 5227 1 10 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.781 0.122 25411 5228 1 10 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.580 0.366 25411 5229 1 10 . 1 1 67 67 TYR H H 67 9.100 9.100 8.324 0.776 25411 5230 1 10 . 1 1 68 68 ASN N N 68 118.826 118.826 116.976 1.850 25411 5231 1 10 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.354 -0.071 25411 5232 1 10 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.902 -0.470 25411 5233 1 10 . 1 1 68 68 ASN CB C 68 37.876 37.876 37.947 -0.071 25411 5234 1 10 . 1 1 68 68 ASN H H 68 8.853 8.853 8.618 0.235 25411 5235 1 10 . 1 1 69 69 THR N N 69 114.242 114.242 115.311 -1.069 25411 5236 1 10 . 1 1 69 69 THR HA H 69 3.837 3.837 4.158 -0.321 25411 5237 1 10 . 1 1 69 69 THR CA C 69 65.328 65.328 65.385 -0.057 25411 5238 1 10 . 1 1 69 69 THR CB C 69 69.249 69.249 68.272 0.977 25411 5239 1 10 . 1 1 69 69 THR H H 69 7.847 7.847 8.426 -0.579 25411 5240 1 10 . 1 1 70 70 PHE N N 70 117.970 117.970 120.131 -2.161 25411 5241 1 10 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.207 0.357 25411 5242 1 10 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.712 -0.470 25411 5243 1 10 . 1 1 70 70 PHE CB C 70 41.074 41.074 39.003 2.071 25411 5244 1 10 . 1 1 70 70 PHE H H 70 8.489 8.489 7.377 1.112 25411 5245 1 10 . 1 1 71 71 GLY N N 71 109.516 109.516 108.452 1.064 25411 5246 1 10 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.888 0.144 25411 5247 1 10 . 1 1 71 71 GLY H H 71 7.968 7.968 7.497 0.471 25411 5248 1 10 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.455 0.256 25411 5249 1 10 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.047 1.250 25411 5250 1 10 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.013 0.731 25411 5251 1 10 . 1 1 73 73 GLU N N 73 117.720 117.720 126.560 -8.840 25411 5252 1 10 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.050 -0.151 25411 5253 1 10 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.637 0.099 25411 5254 1 10 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.586 -0.723 25411 5255 1 10 . 1 1 73 73 GLU H H 73 8.586 8.586 8.365 0.221 25411 5256 1 10 . 1 1 74 74 LYS N N 74 116.974 116.974 118.670 -1.696 25411 5257 1 10 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.415 -0.026 25411 5258 1 10 . 1 1 74 74 LYS CA C 74 55.185 55.185 54.680 0.505 25411 5259 1 10 . 1 1 74 74 LYS CB C 74 34.087 34.087 31.016 3.071 25411 5260 1 10 . 1 1 74 74 LYS H H 74 7.505 7.505 8.223 -0.718 25411 5261 1 10 . 1 1 75 75 VAL N N 75 117.309 117.309 123.518 -6.209 25411 5262 1 10 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.185 0.128 25411 5263 1 10 . 1 1 75 75 VAL CA C 75 62.045 62.045 61.301 0.744 25411 5264 1 10 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.316 -0.332 25411 5265 1 10 . 1 1 75 75 VAL H H 75 7.402 7.402 7.384 0.018 25411 5266 1 10 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.540 0.022 25411 5267 1 10 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.905 -1.218 25411 5268 1 10 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.688 -0.957 25411 5269 1 10 . 1 1 77 77 VAL N N 77 120.870 120.870 121.907 -1.037 25411 5270 1 10 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.162 -0.334 25411 5271 1 10 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.172 1.666 25411 5272 1 10 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.933 -0.546 25411 5273 1 10 . 1 1 77 77 VAL H H 77 8.473 8.473 8.818 -0.345 25411 5274 1 10 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.874 -0.022 25411 5275 1 10 . 1 1 78 78 ILE CA C 78 61.125 61.125 63.888 -2.763 25411 5276 1 10 . 1 1 78 78 ILE CB C 78 37.135 37.135 37.027 0.108 25411 5277 1 10 . 1 1 78 78 ILE H H 78 8.388 8.388 7.952 0.436 25411 5278 1 10 . 1 1 79 79 ALA N N 79 123.960 123.960 122.763 1.197 25411 5279 1 10 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.003 -0.113 25411 5280 1 10 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.709 0.180 25411 5281 1 10 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.452 -0.829 25411 5282 1 10 . 1 1 79 79 ALA H H 79 7.953 7.953 7.998 -0.045 25411 5283 1 10 . 1 1 80 80 PHE N N 80 114.330 114.330 113.681 0.649 25411 5284 1 10 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.523 -0.092 25411 5285 1 10 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.486 1.826 25411 5286 1 10 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.116 -1.460 25411 5287 1 10 . 1 1 80 80 PHE H H 80 7.499 7.499 8.145 -0.646 25411 5288 1 10 . 1 1 81 81 SER N N 81 115.971 115.971 113.880 2.091 25411 5289 1 10 . 1 1 81 81 SER HA H 81 4.206 4.206 4.545 -0.339 25411 5290 1 10 . 1 1 81 81 SER CA C 81 58.432 58.432 59.394 -0.962 25411 5291 1 10 . 1 1 81 81 SER CB C 81 63.575 63.575 63.712 -0.137 25411 5292 1 10 . 1 1 81 81 SER H H 81 8.225 8.225 7.641 0.584 25411 5293 1 10 . 1 1 82 82 TYR N N 82 121.997 121.997 123.191 -1.194 25411 5294 1 10 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.459 -0.012 25411 5295 1 10 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.454 -4.569 25411 5296 1 10 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.956 -1.118 25411 5297 1 10 . 1 1 82 82 TYR H H 82 8.378 8.378 7.568 0.810 25411 5298 1 10 . 1 1 83 83 TRP N N 83 120.268 120.268 121.956 -1.688 25411 5299 1 10 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.528 -5.135 25411 5300 1 10 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.891 -0.997 25411 5301 1 10 . 1 1 83 83 TRP H H 83 8.546 8.546 9.455 -0.909 25411 5302 1 10 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.066 0.154 25411 5303 1 10 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.871 -0.242 25411 5304 1 10 . 1 1 84 84 ASN CB C 84 39.065 39.065 38.328 0.737 25411 5305 1 10 . 1 1 85 85 LEU HA H 85 4.046 4.046 3.925 0.121 25411 5306 1 10 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.144 0.998 25411 5307 1 10 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.696 -0.004 25411 5308 1 10 . 1 1 86 86 ILE N N 86 117.000 117.000 119.994 -2.994 25411 5309 1 10 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.445 0.001 25411 5310 1 10 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.512 -2.229 25411 5311 1 10 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.001 -1.589 25411 5312 1 10 . 1 1 86 86 ILE H H 86 7.882 7.882 7.674 0.208 25411 5313 1 10 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.835 -0.609 25411 5314 1 10 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.036 0.960 25411 5315 1 10 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.791 -0.741 25411 5316 1 10 . 1 1 88 88 GLU N N 88 116.404 116.404 117.768 -1.364 25411 5317 1 10 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.342 -0.495 25411 5318 1 10 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.214 0.697 25411 5319 1 10 . 1 1 88 88 GLU CB C 88 28.969 28.969 28.701 0.268 25411 5320 1 10 . 1 1 88 88 GLU H H 88 7.689 7.689 7.646 0.043 25411 5321 1 10 . 1 1 89 89 LEU N N 89 118.193 118.193 120.625 -2.432 25411 5322 1 10 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.136 -0.247 25411 5323 1 10 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.855 1.108 25411 5324 1 10 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.037 -0.737 25411 5325 1 10 . 1 1 89 89 LEU H H 89 7.415 7.415 7.549 -0.134 25411 5326 1 10 . 1 1 90 90 ILE N N 90 115.471 115.471 120.115 -4.644 25411 5327 1 10 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.674 -0.256 25411 5328 1 10 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.122 0.786 25411 5329 1 10 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.602 -0.008 25411 5330 1 10 . 1 1 90 90 ILE H H 90 7.718 7.718 7.518 0.200 25411 5331 1 10 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.505 -0.785 25411 5332 1 10 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.929 0.735 25411 5333 1 10 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.239 0.293 25411 5334 1 10 . 1 1 92 92 LYS N N 92 119.253 119.253 118.457 0.796 25411 5335 1 10 . 1 1 92 92 LYS CA C 92 58.897 58.897 56.603 2.294 25411 5336 1 10 . 1 1 92 92 LYS CB C 92 31.988 31.988 31.956 0.032 25411 5337 1 10 . 1 1 92 92 LYS H H 92 7.869 7.869 7.612 0.257 25411 5338 1 10 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.033 0.498 25411 5339 1 10 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.540 -3.282 25411 5340 1 10 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.974 0.195 25411 5341 1 10 . 1 1 94 94 GLU N N 94 116.729 116.729 120.735 -4.006 25411 5342 1 10 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.075 0.058 25411 5343 1 10 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.009 0.310 25411 5344 1 10 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.225 -1.850 25411 5345 1 10 . 1 1 94 94 GLU H H 94 8.393 8.393 7.954 0.439 25411 5346 1 10 . 1 1 95 95 VAL N N 95 121.696 121.696 117.884 3.812 25411 5347 1 10 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.813 0.669 25411 5348 1 10 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.760 2.961 25411 5349 1 10 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.478 1.416 25411 5350 1 10 . 1 1 95 95 VAL H H 95 7.923 7.923 7.622 0.301 25411 5351 1 10 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.652 -0.294 25411 5352 1 10 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.631 -0.024 25411 5353 1 10 . 1 1 97 97 PRO CB C 97 31.874 31.874 33.047 -1.173 25411 5354 1 10 . 1 1 98 98 GLN N N 98 117.731 117.731 118.713 -0.982 25411 5355 1 10 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.079 -0.154 25411 5356 1 10 . 1 1 98 98 GLN CA C 98 58.608 58.608 57.973 0.635 25411 5357 1 10 . 1 1 98 98 GLN CB C 98 28.521 28.521 28.351 0.170 25411 5358 1 10 . 1 1 98 98 GLN H H 98 8.359 8.359 8.628 -0.269 25411 5359 1 10 . 1 1 99 99 VAL N N 99 121.326 121.326 117.841 3.485 25411 5360 1 10 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.758 -0.338 25411 5361 1 10 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.177 1.227 25411 5362 1 10 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.428 0.191 25411 5363 1 10 . 1 1 99 99 VAL H H 99 7.901 7.901 8.114 -0.213 25411 5364 1 10 . 1 1 100 100 MET N N 100 120.447 120.447 116.393 4.054 25411 5365 1 10 . 1 1 100 100 MET HA H 100 3.812 3.812 4.232 -0.420 25411 5366 1 10 . 1 1 100 100 MET CA C 100 59.297 59.297 58.153 1.144 25411 5367 1 10 . 1 1 100 100 MET CB C 100 32.099 32.099 33.227 -1.128 25411 5368 1 10 . 1 1 100 100 MET H H 100 7.509 7.509 7.541 -0.032 25411 5369 1 10 . 1 1 101 101 ALA N N 101 119.458 119.458 122.035 -2.577 25411 5370 1 10 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.124 0.086 25411 5371 1 10 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.530 0.222 25411 5372 1 10 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.375 -0.854 25411 5373 1 10 . 1 1 101 101 ALA H H 101 7.889 7.889 7.618 0.271 25411 5374 1 10 . 1 1 102 102 ALA N N 102 119.627 119.627 120.677 -1.050 25411 5375 1 10 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.139 -0.146 25411 5376 1 10 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.504 0.384 25411 5377 1 10 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.714 -1.370 25411 5378 1 10 . 1 1 102 102 ALA H H 102 7.563 7.563 8.142 -0.579 25411 5379 1 10 . 1 1 103 103 VAL N N 103 122.690 122.690 117.701 4.989 25411 5380 1 10 . 1 1 103 103 VAL HA H 103 4.073 4.073 4.068 0.005 25411 5381 1 10 . 1 1 103 103 VAL CA C 103 61.685 61.685 64.522 -2.837 25411 5382 1 10 . 1 1 103 103 VAL CB C 103 33.222 33.222 32.130 1.092 25411 5383 1 10 . 1 1 103 103 VAL H H 103 8.828 8.828 7.690 1.138 25411 5384 1 10 . 1 1 104 104 ALA N N 104 128.041 128.041 120.858 7.183 25411 5385 1 10 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.338 -0.069 25411 5386 1 10 . 1 1 104 104 ALA CA C 104 52.141 52.141 53.790 -1.649 25411 5387 1 10 . 1 1 104 104 ALA CB C 104 18.940 18.940 17.854 1.087 25411 5388 1 10 . 1 1 104 104 ALA H H 104 8.367 8.367 7.483 0.884 25411 5389 1 10 . 1 1 105 105 GLN N N 105 120.265 120.265 117.998 2.267 25411 5390 1 10 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.714 0.217 25411 5391 1 10 . 1 1 105 105 GLN CB C 105 29.020 29.020 29.703 -0.683 25411 5392 1 10 . 1 1 105 105 GLN H H 105 8.356 8.356 7.843 0.513 25411 5393 1 10 . 1 1 106 106 THR HA H 106 4.320 4.320 4.175 0.145 25411 5394 1 10 . 1 1 106 106 THR CA C 106 61.346 61.346 64.021 -2.675 25411 5395 1 10 . 1 1 106 106 THR CB C 106 69.293 69.293 69.184 0.109 25411 5396 1 10 . 1 1 107 107 GLU N N 107 122.706 122.706 118.472 4.234 25411 5397 1 10 . 1 1 107 107 GLU HA H 107 4.182 4.182 3.948 0.234 25411 5398 1 10 . 1 1 107 107 GLU CA C 107 56.576 56.576 56.825 -0.249 25411 5399 1 10 . 1 1 107 107 GLU CB C 107 29.936 29.936 28.996 0.940 25411 5400 1 10 . 1 1 107 107 GLU H H 107 8.404 8.404 7.843 0.561 25411 5401 1 10 . 1 1 108 108 GLU N N 108 122.034 122.034 122.629 -0.595 25411 5402 1 10 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.193 -0.032 25411 5403 1 10 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.065 -0.416 25411 5404 1 10 . 1 1 108 108 GLU CB C 108 29.676 29.676 30.313 -0.637 25411 5405 1 10 . 1 1 108 108 GLU H H 108 7.341 7.341 8.442 -1.101 25411 5406 1 10 . 1 1 109 109 ILE N N 109 122.151 122.151 119.584 2.567 25411 5407 1 10 . 1 1 109 109 ILE HA H 109 4.047 4.047 3.941 0.106 25411 5408 1 10 . 1 1 109 109 ILE CA C 109 61.565 61.565 63.671 -2.106 25411 5409 1 10 . 1 1 109 109 ILE CB C 109 38.104 38.104 37.706 0.398 25411 5410 1 10 . 1 1 109 109 ILE H H 109 8.058 8.058 8.645 -0.587 25411 5411 1 10 . 1 1 110 110 LEU N N 110 122.427 122.427 121.053 1.374 25411 5412 1 10 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.094 0.182 25411 5413 1 10 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.448 -1.297 25411 5414 1 10 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.638 -8.383 25411 5415 1 10 . 1 1 110 110 LEU H H 110 8.194 8.194 7.840 0.354 25411 5416 1 10 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.119 0.128 25411 5417 1 10 . 1 1 111 111 LYS CA C 111 56.137 56.137 58.644 -2.507 25411 5418 1 10 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.530 0.039 25411 5419 1 10 . 1 1 112 112 SER N N 112 116.453 116.453 113.805 2.648 25411 5420 1 10 . 1 1 112 112 SER HA H 112 4.175 4.175 4.028 0.147 25411 5421 1 10 . 1 1 112 112 SER CA C 112 58.311 58.311 61.510 -3.199 25411 5422 1 10 . 1 1 112 112 SER CB C 112 63.441 63.441 62.228 1.213 25411 5423 1 10 . 1 1 112 112 SER H H 112 8.204 8.204 8.105 0.099 25411 5424 1 10 . 1 1 113 113 ASN N N 113 119.747 119.747 120.774 -1.027 25411 5425 1 10 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.933 -0.289 25411 5426 1 10 . 1 1 113 113 ASN CA C 113 53.645 53.645 53.713 -0.068 25411 5427 1 10 . 1 1 113 113 ASN CB C 113 38.646 38.646 39.834 -1.188 25411 5428 1 10 . 1 1 113 113 ASN H H 113 7.944 7.944 8.333 -0.389 25411 5429 1 10 . 1 1 114 114 SER N N 114 115.433 115.433 117.836 -2.403 25411 5430 1 10 . 1 1 114 114 SER HA H 114 4.336 4.336 4.836 -0.500 25411 5431 1 10 . 1 1 114 114 SER CA C 114 58.711 58.711 57.689 1.022 25411 5432 1 10 . 1 1 114 114 SER CB C 114 63.308 63.308 63.365 -0.057 25411 5433 1 10 . 1 1 114 114 SER H H 114 7.962 7.962 8.377 -0.415 25411 5434 1 10 . 1 1 115 115 GLN N N 115 121.682 121.682 119.120 2.562 25411 5435 1 10 . 1 1 115 115 GLN HA H 115 4.274 4.274 3.981 0.293 25411 5436 1 10 . 1 1 115 115 GLN CA C 115 56.193 56.193 58.572 -2.379 25411 5437 1 10 . 1 1 115 115 GLN CB C 115 28.807 28.807 27.856 0.951 25411 5438 1 10 . 1 1 115 115 GLN H H 115 8.207 8.207 8.912 -0.705 25411 5439 1 10 . 1 1 116 116 THR N N 116 114.715 114.715 106.989 7.726 25411 5440 1 10 . 1 1 116 116 THR HA H 116 4.225 4.225 4.601 -0.376 25411 5441 1 10 . 1 1 116 116 THR CA C 116 62.109 62.109 59.387 2.722 25411 5442 1 10 . 1 1 116 116 THR CB C 116 69.336 69.336 71.404 -2.068 25411 5443 1 10 . 1 1 116 116 THR H H 116 8.062 8.062 7.701 0.361 25411 5444 1 10 . 1 1 117 117 ASP N N 117 122.602 122.602 119.184 3.418 25411 5445 1 10 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.480 0.088 25411 5446 1 10 . 1 1 117 117 ASP CA C 117 54.204 54.204 55.279 -1.075 25411 5447 1 10 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.110 0.555 25411 5448 1 10 . 1 1 117 117 ASP H H 117 8.065 8.065 8.752 -0.687 25411 5449 1 10 . 1 1 118 118 LEU N N 118 122.140 122.140 121.590 0.550 25411 5450 1 10 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.347 -0.192 25411 5451 1 10 . 1 1 118 118 LEU CA C 118 55.423 55.423 53.954 1.469 25411 5452 1 10 . 1 1 118 118 LEU CB C 118 41.873 41.873 40.028 1.845 25411 5453 1 10 . 1 1 118 118 LEU H H 118 8.085 8.085 7.726 0.359 25411 5454 1 10 . 1 1 119 119 GLU N N 119 119.672 119.672 122.063 -2.391 25411 5455 1 10 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.263 -0.195 25411 5456 1 10 . 1 1 119 119 GLU CA C 119 56.565 56.565 55.732 0.833 25411 5457 1 10 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.529 2.043 25411 5458 1 10 . 1 1 119 119 GLU H H 119 8.143 8.143 8.441 -0.298 25411 5459 1 10 . 1 1 120 120 HIS N N 120 118.301 118.301 118.023 0.278 25411 5460 1 10 . 1 1 120 120 HIS CA C 120 55.883 55.883 58.508 -2.625 25411 5461 1 10 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.115 0.155 25411 5462 1 10 . 1 1 120 120 HIS H H 120 8.107 8.107 8.106 0.001 25411 5463 1 10 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.618 -0.610 25411 5464 1 10 . 1 1 121 121 HIS CA C 121 55.166 55.166 56.584 -1.419 25411 5465 1 10 . 1 1 121 121 HIS CB C 121 28.759 28.759 29.984 -1.225 25411 5466 1 10 . 1 1 122 122 HIS N N 122 122.407 122.407 117.334 5.073 25411 5467 1 10 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.737 -0.519 25411 5468 1 10 . 1 1 122 122 HIS CA C 122 56.081 56.081 53.798 2.283 25411 5469 1 10 . 1 1 122 122 HIS CB C 122 29.371 29.371 32.132 -2.761 25411 5470 1 10 . 1 1 122 122 HIS H H 122 8.489 8.489 7.977 0.512 25411 5471 1 10 . 1 1 123 123 HIS N N 123 122.868 122.868 118.517 4.351 25411 5472 1 10 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.304 0.083 25411 5473 1 10 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.171 -0.861 25411 5474 1 10 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.385 0.117 25411 5475 1 10 . 1 1 123 123 HIS H H 123 8.596 8.596 8.348 0.248 25411 5476 1 10 . 1 1 124 124 HIS N N 124 123.734 123.734 123.025 0.709 25411 5477 1 10 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.821 -0.264 25411 5478 1 10 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.481 0.904 25411 5479 1 10 . 1 1 124 124 HIS CB C 124 29.358 29.358 27.813 1.545 25411 5480 1 10 . 1 1 124 124 HIS H H 124 8.255 8.255 8.202 0.053 25411 5481 1 11 . 1 1 3 3 GLN N N 3 122.360 122.360 120.475 1.885 25411 5482 1 11 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.406 -0.518 25411 5483 1 11 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.686 2.056 25411 5484 1 11 . 1 1 3 3 GLN CB C 3 28.383 28.383 29.149 -0.766 25411 5485 1 11 . 1 1 3 3 GLN H H 3 9.398 9.398 8.203 1.195 25411 5486 1 11 . 1 1 4 4 GLU N N 4 119.689 119.689 120.716 -1.027 25411 5487 1 11 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.128 0.546 25411 5488 1 11 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.870 -0.062 25411 5489 1 11 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.951 -0.251 25411 5490 1 11 . 1 1 4 4 GLU H H 4 7.464 7.464 8.853 -1.389 25411 5491 1 11 . 1 1 5 5 LEU N N 5 114.872 114.872 122.353 -7.481 25411 5492 1 11 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.104 -0.403 25411 5493 1 11 . 1 1 5 5 LEU CA C 5 57.738 57.738 57.502 0.235 25411 5494 1 11 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.869 -1.054 25411 5495 1 11 . 1 1 5 5 LEU H H 5 8.206 8.206 8.220 -0.014 25411 5496 1 11 . 1 1 6 6 SER N N 6 109.762 109.762 113.563 -3.801 25411 5497 1 11 . 1 1 6 6 SER HA H 6 4.092 4.092 4.164 -0.072 25411 5498 1 11 . 1 1 6 6 SER CA C 6 60.415 60.415 61.367 -0.952 25411 5499 1 11 . 1 1 6 6 SER CB C 6 63.391 63.391 62.852 0.538 25411 5500 1 11 . 1 1 6 6 SER H H 6 8.253 8.253 7.950 0.303 25411 5501 1 11 . 1 1 7 7 GLN N N 7 117.498 117.498 123.082 -5.584 25411 5502 1 11 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.084 -0.129 25411 5503 1 11 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.466 -0.041 25411 5504 1 11 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.402 0.337 25411 5505 1 11 . 1 1 7 7 GLN H H 7 8.673 8.673 7.837 0.836 25411 5506 1 11 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.179 -0.382 25411 5507 1 11 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.615 -0.560 25411 5508 1 11 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.280 -1.171 25411 5509 1 11 . 1 1 9 9 GLU N N 9 120.354 120.354 119.207 1.147 25411 5510 1 11 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.084 -0.125 25411 5511 1 11 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.260 0.999 25411 5512 1 11 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.766 -0.539 25411 5513 1 11 . 1 1 9 9 GLU H H 9 7.690 7.690 8.457 -0.767 25411 5514 1 11 . 1 1 10 10 ARG N N 10 118.753 118.753 120.023 -1.270 25411 5515 1 11 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.111 -0.012 25411 5516 1 11 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.485 -1.264 25411 5517 1 11 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.299 -1.204 25411 5518 1 11 . 1 1 10 10 ARG H H 10 8.928 8.928 7.796 1.132 25411 5519 1 11 . 1 1 11 11 TYR N N 11 121.288 121.288 118.986 2.302 25411 5520 1 11 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.327 -0.138 25411 5521 1 11 . 1 1 11 11 TYR CA C 11 61.236 61.236 61.351 -0.115 25411 5522 1 11 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.209 -0.348 25411 5523 1 11 . 1 1 11 11 TYR H H 11 7.562 7.562 8.873 -1.311 25411 5524 1 11 . 1 1 12 12 VAL N N 12 119.304 119.304 119.877 -0.573 25411 5525 1 11 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.709 -0.626 25411 5526 1 11 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.829 0.006 25411 5527 1 11 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.897 -0.798 25411 5528 1 11 . 1 1 12 12 VAL H H 12 8.075 8.075 8.001 0.074 25411 5529 1 11 . 1 1 13 13 GLU N N 13 119.685 119.685 120.526 -0.841 25411 5530 1 11 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.017 0.138 25411 5531 1 11 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.306 0.118 25411 5532 1 11 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.238 -0.050 25411 5533 1 11 . 1 1 13 13 GLU H H 13 8.278 8.278 7.864 0.414 25411 5534 1 11 . 1 1 14 14 GLN N N 14 119.682 119.682 119.821 -0.139 25411 5535 1 11 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.064 -0.408 25411 5536 1 11 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.702 1.267 25411 5537 1 11 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.287 1.387 25411 5538 1 11 . 1 1 14 14 GLN H H 14 7.653 7.653 8.212 -0.559 25411 5539 1 11 . 1 1 15 15 LEU N N 15 121.000 121.000 118.600 2.400 25411 5540 1 11 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.052 -0.131 25411 5541 1 11 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.188 1.267 25411 5542 1 11 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.008 -0.248 25411 5543 1 11 . 1 1 15 15 LEU H H 15 8.402 8.402 8.651 -0.249 25411 5544 1 11 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.859 -0.163 25411 5545 1 11 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.431 -0.173 25411 5546 1 11 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.294 -0.159 25411 5547 1 11 . 1 1 17 17 GLN N N 17 117.558 117.558 118.466 -0.908 25411 5548 1 11 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.048 -0.161 25411 5549 1 11 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.732 -0.290 25411 5550 1 11 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.686 -0.640 25411 5551 1 11 . 1 1 17 17 GLN H H 17 7.849 7.849 7.966 -0.117 25411 5552 1 11 . 1 1 18 18 ALA N N 18 120.288 120.288 123.012 -2.724 25411 5553 1 11 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.148 -0.360 25411 5554 1 11 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.876 0.017 25411 5555 1 11 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.614 -1.218 25411 5556 1 11 . 1 1 18 18 ALA H H 18 8.504 8.504 8.275 0.229 25411 5557 1 11 . 1 1 19 19 LEU N N 19 116.974 116.974 118.356 -1.382 25411 5558 1 11 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.049 -0.290 25411 5559 1 11 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.798 0.754 25411 5560 1 11 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.795 -1.102 25411 5561 1 11 . 1 1 19 19 LEU H H 19 8.143 8.143 8.237 -0.094 25411 5562 1 11 . 1 1 20 20 LYS N N 20 117.776 117.776 121.352 -3.576 25411 5563 1 11 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.090 -0.135 25411 5564 1 11 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.646 -0.102 25411 5565 1 11 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.449 -1.963 25411 5566 1 11 . 1 1 20 20 LYS H H 20 8.340 8.340 8.125 0.215 25411 5567 1 11 . 1 1 21 21 THR N N 21 116.373 116.373 112.315 4.058 25411 5568 1 11 . 1 1 21 21 THR HA H 21 4.107 4.107 4.224 -0.117 25411 5569 1 11 . 1 1 21 21 THR CA C 21 64.611 64.611 64.513 0.098 25411 5570 1 11 . 1 1 21 21 THR CB C 21 68.811 68.811 68.387 0.424 25411 5571 1 11 . 1 1 21 21 THR H H 21 7.302 7.302 7.939 -0.637 25411 5572 1 11 . 1 1 22 22 ARG N N 22 118.647 118.647 119.980 -1.333 25411 5573 1 11 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.465 -0.103 25411 5574 1 11 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.681 -1.616 25411 5575 1 11 . 1 1 22 22 ARG CB C 22 29.528 29.528 30.941 -1.413 25411 5576 1 11 . 1 1 22 22 ARG H H 22 7.290 7.290 7.668 -0.378 25411 5577 1 11 . 1 1 23 23 GLY N N 23 108.637 108.637 108.880 -0.243 25411 5578 1 11 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.545 0.567 25411 5579 1 11 . 1 1 23 23 GLY H H 23 7.881 7.881 7.724 0.157 25411 5580 1 11 . 1 1 24 24 VAL N N 24 117.390 117.390 120.655 -3.265 25411 5581 1 11 . 1 1 24 24 VAL HA H 24 4.014 4.014 4.233 -0.219 25411 5582 1 11 . 1 1 24 24 VAL CA C 24 61.668 61.668 60.715 0.953 25411 5583 1 11 . 1 1 24 24 VAL CB C 24 32.372 32.372 29.659 2.713 25411 5584 1 11 . 1 1 24 24 VAL H H 24 7.333 7.333 7.664 -0.331 25411 5585 1 11 . 1 1 25 25 LYS N N 25 127.322 127.322 119.515 7.807 25411 5586 1 11 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.997 0.335 25411 5587 1 11 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.362 -1.600 25411 5588 1 11 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.740 0.021 25411 5589 1 11 . 1 1 25 25 LYS H H 25 8.722 8.722 7.596 1.126 25411 5590 1 11 . 1 1 26 26 VAL N N 26 120.568 120.568 120.353 0.215 25411 5591 1 11 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.279 -0.201 25411 5592 1 11 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.571 -0.906 25411 5593 1 11 . 1 1 26 26 VAL CB C 26 33.647 33.647 32.979 0.668 25411 5594 1 11 . 1 1 26 26 VAL H H 26 7.119 7.119 8.302 -1.183 25411 5595 1 11 . 1 1 27 27 LYS N N 27 125.675 125.675 126.116 -0.441 25411 5596 1 11 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.377 -0.051 25411 5597 1 11 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.005 0.406 25411 5598 1 11 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.185 -2.226 25411 5599 1 11 . 1 1 27 27 LYS H H 27 8.570 8.570 7.836 0.734 25411 5600 1 11 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.488 -0.471 25411 5601 1 11 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.615 -2.203 25411 5602 1 11 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.922 1.918 25411 5603 1 11 . 1 1 29 29 ALA N N 29 120.743 120.743 128.200 -7.457 25411 5604 1 11 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.091 -0.423 25411 5605 1 11 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.062 -0.384 25411 5606 1 11 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.816 -0.816 25411 5607 1 11 . 1 1 29 29 ALA H H 29 8.323 8.323 8.830 -0.507 25411 5608 1 11 . 1 1 30 30 ASP N N 30 117.202 117.202 118.409 -1.207 25411 5609 1 11 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.340 -0.059 25411 5610 1 11 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.175 0.378 25411 5611 1 11 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.869 -0.062 25411 5612 1 11 . 1 1 30 30 ASP H H 30 6.872 6.872 8.646 -1.774 25411 5613 1 11 . 1 1 31 31 LEU N N 31 122.273 122.273 118.487 3.786 25411 5614 1 11 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.293 -0.747 25411 5615 1 11 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.596 0.129 25411 5616 1 11 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.183 -1.525 25411 5617 1 11 . 1 1 31 31 LEU H H 31 7.433 7.433 7.651 -0.218 25411 5618 1 11 . 1 1 32 32 LEU N N 32 123.376 123.376 118.761 4.615 25411 5619 1 11 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.244 -0.629 25411 5620 1 11 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.698 0.398 25411 5621 1 11 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.967 -1.425 25411 5622 1 11 . 1 1 32 32 LEU H H 32 8.727 8.727 7.910 0.817 25411 5623 1 11 . 1 1 33 33 LYS N N 33 118.078 118.078 120.068 -1.990 25411 5624 1 11 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.448 -0.235 25411 5625 1 11 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.225 -0.127 25411 5626 1 11 . 1 1 33 33 LYS CB C 33 31.890 31.890 31.926 -0.036 25411 5627 1 11 . 1 1 33 33 LYS H H 33 7.149 7.149 7.476 -0.327 25411 5628 1 11 . 1 1 34 34 PHE N N 34 117.398 117.398 121.046 -3.648 25411 5629 1 11 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.738 -5.043 25411 5630 1 11 . 1 1 34 34 PHE CB C 34 41.219 41.219 38.992 2.227 25411 5631 1 11 . 1 1 34 34 PHE H H 34 7.633 7.633 8.560 -0.927 25411 5632 1 11 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.090 -0.297 25411 5633 1 11 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.038 -0.445 25411 5634 1 11 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.364 -2.350 25411 5635 1 11 . 1 1 36 36 ASP N N 36 120.136 120.136 119.349 0.787 25411 5636 1 11 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.404 -0.308 25411 5637 1 11 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.036 -0.095 25411 5638 1 11 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.233 -1.129 25411 5639 1 11 . 1 1 36 36 ASP H H 36 8.330 8.330 8.441 -0.111 25411 5640 1 11 . 1 1 37 37 PHE N N 37 121.883 121.883 120.083 1.800 25411 5641 1 11 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.390 -0.132 25411 5642 1 11 . 1 1 37 37 PHE CA C 37 59.698 59.698 60.340 -0.642 25411 5643 1 11 . 1 1 37 37 PHE CB C 37 40.185 40.185 38.916 1.269 25411 5644 1 11 . 1 1 37 37 PHE H H 37 7.794 7.794 8.522 -0.728 25411 5645 1 11 . 1 1 38 38 VAL N N 38 118.525 118.525 119.527 -1.002 25411 5646 1 11 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.570 -0.531 25411 5647 1 11 . 1 1 38 38 VAL CA C 38 66.882 66.882 65.705 1.177 25411 5648 1 11 . 1 1 38 38 VAL CB C 38 30.688 30.688 30.923 -0.235 25411 5649 1 11 . 1 1 38 38 VAL H H 38 8.262 8.262 7.833 0.429 25411 5650 1 11 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.909 -0.453 25411 5651 1 11 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.224 -0.170 25411 5652 1 11 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.974 -0.278 25411 5653 1 11 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.714 -0.269 25411 5654 1 11 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.284 0.701 25411 5655 1 11 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.658 -0.966 25411 5656 1 11 . 1 1 41 41 ILE N N 41 120.641 120.641 119.169 1.472 25411 5657 1 11 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.090 -0.065 25411 5658 1 11 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.681 -3.029 25411 5659 1 11 . 1 1 41 41 ILE CB C 41 38.064 38.064 39.085 -1.021 25411 5660 1 11 . 1 1 41 41 ILE H H 41 8.788 8.788 8.312 0.476 25411 5661 1 11 . 1 1 42 42 CYS N N 42 117.896 117.896 112.956 4.940 25411 5662 1 11 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.026 1.146 25411 5663 1 11 . 1 1 42 42 CYS CB C 42 28.324 28.324 27.398 0.925 25411 5664 1 11 . 1 1 42 42 CYS H H 42 7.180 7.180 7.576 -0.396 25411 5665 1 11 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.068 0.247 25411 5666 1 11 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.351 0.652 25411 5667 1 11 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.337 -0.622 25411 5668 1 11 . 1 1 44 44 TRP N N 44 113.823 113.823 118.068 -4.245 25411 5669 1 11 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.444 -0.139 25411 5670 1 11 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.353 -1.955 25411 5671 1 11 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.408 -1.597 25411 5672 1 11 . 1 1 44 44 TRP H H 44 6.591 6.591 6.907 -0.316 25411 5673 1 11 . 1 1 45 45 PHE N N 45 123.100 123.100 111.065 12.035 25411 5674 1 11 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.048 -1.047 25411 5675 1 11 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.684 8.125 25411 5676 1 11 . 1 1 45 45 PHE CB C 45 34.935 34.935 37.858 -2.923 25411 5677 1 11 . 1 1 45 45 PHE H H 45 7.239 7.239 7.593 -0.354 25411 5678 1 11 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.504 -0.492 25411 5679 1 11 . 1 1 46 46 PRO CA C 46 64.531 64.531 63.843 0.688 25411 5680 1 11 . 1 1 46 46 PRO CB C 46 30.487 30.487 32.141 -1.654 25411 5681 1 11 . 1 1 47 47 GLN N N 47 114.502 114.502 118.279 -3.777 25411 5682 1 11 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.157 -0.220 25411 5683 1 11 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.125 0.279 25411 5684 1 11 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.454 0.866 25411 5685 1 11 . 1 1 47 47 GLN H H 47 6.518 6.518 8.427 -1.909 25411 5686 1 11 . 1 1 48 48 GLU N N 48 117.358 117.358 118.838 -1.480 25411 5687 1 11 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.253 -0.215 25411 5688 1 11 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.888 1.284 25411 5689 1 11 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.288 -1.334 25411 5690 1 11 . 1 1 48 48 GLU H H 48 7.318 7.318 7.810 -0.492 25411 5691 1 11 . 1 1 49 49 GLY N N 49 105.534 105.534 107.290 -1.756 25411 5692 1 11 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.767 1.536 25411 5693 1 11 . 1 1 49 49 GLY H H 49 7.296 7.296 7.528 -0.232 25411 5694 1 11 . 1 1 50 50 THR N N 50 114.069 114.069 113.043 1.026 25411 5695 1 11 . 1 1 50 50 THR HA H 50 4.234 4.234 4.337 -0.103 25411 5696 1 11 . 1 1 50 50 THR CA C 50 61.683 61.683 60.998 0.685 25411 5697 1 11 . 1 1 50 50 THR CB C 50 70.718 70.718 70.455 0.263 25411 5698 1 11 . 1 1 50 50 THR H H 50 7.597 7.597 7.692 -0.095 25411 5699 1 11 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.089 0.036 25411 5700 1 11 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.900 -2.030 25411 5701 1 11 . 1 1 51 51 ILE CB C 51 35.288 35.288 38.932 -3.644 25411 5702 1 11 . 1 1 52 52 ASP N N 52 121.791 121.791 122.507 -0.716 25411 5703 1 11 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.871 -0.248 25411 5704 1 11 . 1 1 52 52 ASP CA C 52 51.732 51.732 53.165 -1.433 25411 5705 1 11 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.603 -2.142 25411 5706 1 11 . 1 1 52 52 ASP H H 52 7.168 7.168 8.091 -0.923 25411 5707 1 11 . 1 1 53 53 ILE N N 53 119.537 119.537 118.829 0.708 25411 5708 1 11 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.621 -0.486 25411 5709 1 11 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.209 -0.413 25411 5710 1 11 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.561 -1.746 25411 5711 1 11 . 1 1 53 53 ILE H H 53 8.336 8.336 8.628 -0.292 25411 5712 1 11 . 1 1 54 54 LYS N N 54 123.592 123.592 121.535 2.057 25411 5713 1 11 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.202 -0.097 25411 5714 1 11 . 1 1 54 54 LYS CA C 54 59.972 59.972 59.949 0.023 25411 5715 1 11 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.179 -0.431 25411 5716 1 11 . 1 1 54 54 LYS H H 54 8.104 8.104 8.507 -0.403 25411 5717 1 11 . 1 1 55 55 ARG N N 55 120.511 120.511 120.239 0.272 25411 5718 1 11 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.010 0.291 25411 5719 1 11 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.766 0.137 25411 5720 1 11 . 1 1 55 55 ARG CB C 55 30.056 30.056 29.386 0.670 25411 5721 1 11 . 1 1 55 55 ARG H H 55 9.196 9.196 8.452 0.744 25411 5722 1 11 . 1 1 56 56 TRP N N 56 120.681 120.681 120.863 -0.182 25411 5723 1 11 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.422 0.281 25411 5724 1 11 . 1 1 56 56 TRP CA C 56 59.406 59.406 58.974 0.432 25411 5725 1 11 . 1 1 56 56 TRP CB C 56 30.014 30.014 28.807 1.207 25411 5726 1 11 . 1 1 56 56 TRP H H 56 8.899 8.899 8.271 0.628 25411 5727 1 11 . 1 1 57 57 ARG N N 57 122.115 122.115 120.408 1.707 25411 5728 1 11 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.348 1.059 25411 5729 1 11 . 1 1 57 57 ARG CA C 57 60.027 60.027 58.356 1.671 25411 5730 1 11 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.430 0.356 25411 5731 1 11 . 1 1 57 57 ARG H H 57 9.210 9.210 8.003 1.207 25411 5732 1 11 . 1 1 58 58 ARG N N 58 120.918 120.918 119.278 1.640 25411 5733 1 11 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.407 0.438 25411 5734 1 11 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.046 -0.317 25411 5735 1 11 . 1 1 58 58 ARG H H 58 7.640 7.640 7.647 -0.007 25411 5736 1 11 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.660 0.104 25411 5737 1 11 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.775 0.225 25411 5738 1 11 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.551 -0.719 25411 5739 1 11 . 1 1 59 59 VAL H H 59 7.916 7.916 7.583 0.333 25411 5740 1 11 . 1 1 60 60 GLY N N 60 106.856 106.856 107.084 -0.228 25411 5741 1 11 . 1 1 60 60 GLY CA C 60 46.081 46.081 46.955 -0.874 25411 5742 1 11 . 1 1 60 60 GLY H H 60 7.623 7.623 8.247 -0.624 25411 5743 1 11 . 1 1 61 61 ASP N N 61 123.308 123.308 121.891 1.417 25411 5744 1 11 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.425 -0.200 25411 5745 1 11 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.942 -0.142 25411 5746 1 11 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.683 -1.199 25411 5747 1 11 . 1 1 61 61 ASP H H 61 8.203 8.203 7.821 0.382 25411 5748 1 11 . 1 1 62 62 CYS N N 62 120.841 120.841 118.261 2.580 25411 5749 1 11 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.007 0.231 25411 5750 1 11 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.180 -1.230 25411 5751 1 11 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.529 -0.026 25411 5752 1 11 . 1 1 62 62 CYS H H 62 7.795 7.795 7.513 0.282 25411 5753 1 11 . 1 1 63 63 PHE N N 63 119.763 119.763 117.984 1.779 25411 5754 1 11 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.372 -0.094 25411 5755 1 11 . 1 1 63 63 PHE CA C 63 58.657 58.657 60.991 -2.334 25411 5756 1 11 . 1 1 63 63 PHE CB C 63 36.990 36.990 37.548 -0.558 25411 5757 1 11 . 1 1 63 63 PHE H H 63 8.647 8.647 7.628 1.019 25411 5758 1 11 . 1 1 64 64 GLN N N 64 118.578 118.578 120.043 -1.465 25411 5759 1 11 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.014 0.294 25411 5760 1 11 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.759 0.574 25411 5761 1 11 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.358 0.221 25411 5762 1 11 . 1 1 64 64 GLN H H 64 8.261 8.261 8.413 -0.152 25411 5763 1 11 . 1 1 65 65 ASP N N 65 119.534 119.534 122.110 -2.576 25411 5764 1 11 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.346 0.138 25411 5765 1 11 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.417 -0.088 25411 5766 1 11 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.937 -1.266 25411 5767 1 11 . 1 1 65 65 ASP H H 65 8.338 8.338 8.543 -0.205 25411 5768 1 11 . 1 1 66 66 TYR N N 66 123.600 123.600 121.884 1.716 25411 5769 1 11 . 1 1 66 66 TYR HA H 66 4.502 4.502 4.105 0.397 25411 5770 1 11 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.398 -1.167 25411 5771 1 11 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.733 -0.300 25411 5772 1 11 . 1 1 66 66 TYR H H 66 7.804 7.804 8.360 -0.556 25411 5773 1 11 . 1 1 67 67 TYR N N 67 122.825 122.825 118.951 3.874 25411 5774 1 11 . 1 1 67 67 TYR HA H 67 3.997 3.997 4.013 -0.016 25411 5775 1 11 . 1 1 67 67 TYR CA C 67 61.903 61.903 62.252 -0.349 25411 5776 1 11 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.665 0.281 25411 5777 1 11 . 1 1 67 67 TYR H H 67 9.100 9.100 8.731 0.369 25411 5778 1 11 . 1 1 68 68 ASN N N 68 118.826 118.826 117.426 1.400 25411 5779 1 11 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.522 -0.239 25411 5780 1 11 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.751 -0.319 25411 5781 1 11 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.153 -0.277 25411 5782 1 11 . 1 1 68 68 ASN H H 68 8.853 8.853 8.563 0.290 25411 5783 1 11 . 1 1 69 69 THR N N 69 114.242 114.242 113.766 0.476 25411 5784 1 11 . 1 1 69 69 THR HA H 69 3.837 3.837 3.795 0.042 25411 5785 1 11 . 1 1 69 69 THR CA C 69 65.328 65.328 65.434 -0.106 25411 5786 1 11 . 1 1 69 69 THR CB C 69 69.249 69.249 68.517 0.732 25411 5787 1 11 . 1 1 69 69 THR H H 69 7.847 7.847 8.095 -0.248 25411 5788 1 11 . 1 1 70 70 PHE N N 70 117.970 117.970 116.516 1.454 25411 5789 1 11 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.574 -0.010 25411 5790 1 11 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.298 0.944 25411 5791 1 11 . 1 1 70 70 PHE CB C 70 41.074 41.074 39.935 1.139 25411 5792 1 11 . 1 1 70 70 PHE H H 70 8.489 8.489 7.245 1.244 25411 5793 1 11 . 1 1 71 71 GLY N N 71 109.516 109.516 106.713 2.803 25411 5794 1 11 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.072 0.960 25411 5795 1 11 . 1 1 71 71 GLY H H 71 7.968 7.968 8.108 -0.140 25411 5796 1 11 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.539 0.172 25411 5797 1 11 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.785 0.512 25411 5798 1 11 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.940 -0.196 25411 5799 1 11 . 1 1 73 73 GLU N N 73 117.720 117.720 125.020 -7.300 25411 5800 1 11 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.104 -0.205 25411 5801 1 11 . 1 1 73 73 GLU CA C 73 58.736 58.736 59.063 -0.327 25411 5802 1 11 . 1 1 73 73 GLU CB C 73 28.863 28.863 30.168 -1.305 25411 5803 1 11 . 1 1 73 73 GLU H H 73 8.586 8.586 8.914 -0.328 25411 5804 1 11 . 1 1 74 74 LYS N N 74 116.974 116.974 117.307 -0.333 25411 5805 1 11 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.434 -0.045 25411 5806 1 11 . 1 1 74 74 LYS CA C 74 55.185 55.185 56.608 -1.423 25411 5807 1 11 . 1 1 74 74 LYS CB C 74 34.087 34.087 33.867 0.220 25411 5808 1 11 . 1 1 74 74 LYS H H 74 7.505 7.505 8.221 -0.716 25411 5809 1 11 . 1 1 75 75 VAL N N 75 117.309 117.309 121.327 -4.018 25411 5810 1 11 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.556 -0.243 25411 5811 1 11 . 1 1 75 75 VAL CA C 75 62.045 62.045 59.675 2.370 25411 5812 1 11 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.974 -0.990 25411 5813 1 11 . 1 1 75 75 VAL H H 75 7.402 7.402 7.755 -0.353 25411 5814 1 11 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.632 -0.070 25411 5815 1 11 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.865 -1.178 25411 5816 1 11 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.658 -0.927 25411 5817 1 11 . 1 1 77 77 VAL N N 77 120.870 120.870 123.671 -2.801 25411 5818 1 11 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.193 -0.365 25411 5819 1 11 . 1 1 77 77 VAL CA C 77 65.838 65.838 63.965 1.873 25411 5820 1 11 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.129 -0.742 25411 5821 1 11 . 1 1 77 77 VAL H H 77 8.473 8.473 8.796 -0.323 25411 5822 1 11 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.880 -0.028 25411 5823 1 11 . 1 1 78 78 ILE CA C 78 61.125 61.125 63.999 -2.874 25411 5824 1 11 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.899 0.236 25411 5825 1 11 . 1 1 78 78 ILE H H 78 8.388 8.388 8.114 0.274 25411 5826 1 11 . 1 1 79 79 ALA N N 79 123.960 123.960 123.887 0.073 25411 5827 1 11 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.008 -0.118 25411 5828 1 11 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.723 0.166 25411 5829 1 11 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.136 -0.513 25411 5830 1 11 . 1 1 79 79 ALA H H 79 7.953 7.953 7.667 0.286 25411 5831 1 11 . 1 1 80 80 PHE N N 80 114.330 114.330 114.985 -0.655 25411 5832 1 11 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.489 -0.058 25411 5833 1 11 . 1 1 80 80 PHE CA C 80 61.312 61.312 60.262 1.050 25411 5834 1 11 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.201 -1.545 25411 5835 1 11 . 1 1 80 80 PHE H H 80 7.499 7.499 8.115 -0.616 25411 5836 1 11 . 1 1 81 81 SER N N 81 115.971 115.971 114.433 1.538 25411 5837 1 11 . 1 1 81 81 SER HA H 81 4.206 4.206 4.412 -0.206 25411 5838 1 11 . 1 1 81 81 SER CA C 81 58.432 58.432 59.770 -1.338 25411 5839 1 11 . 1 1 81 81 SER CB C 81 63.575 63.575 63.712 -0.137 25411 5840 1 11 . 1 1 81 81 SER H H 81 8.225 8.225 7.559 0.666 25411 5841 1 11 . 1 1 82 82 TYR N N 82 121.997 121.997 123.073 -1.076 25411 5842 1 11 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.417 0.030 25411 5843 1 11 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.834 -4.949 25411 5844 1 11 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.758 -0.920 25411 5845 1 11 . 1 1 82 82 TYR H H 82 8.378 8.378 7.647 0.731 25411 5846 1 11 . 1 1 83 83 TRP N N 83 120.268 120.268 121.190 -0.922 25411 5847 1 11 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.264 -4.871 25411 5848 1 11 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.904 -1.010 25411 5849 1 11 . 1 1 83 83 TRP H H 83 8.546 8.546 9.469 -0.923 25411 5850 1 11 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.302 -0.082 25411 5851 1 11 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.494 0.135 25411 5852 1 11 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.708 1.357 25411 5853 1 11 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.326 -0.280 25411 5854 1 11 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.200 0.942 25411 5855 1 11 . 1 1 85 85 LEU CB C 85 41.692 41.692 42.077 -0.385 25411 5856 1 11 . 1 1 86 86 ILE N N 86 117.000 117.000 119.741 -2.741 25411 5857 1 11 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.435 0.011 25411 5858 1 11 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.710 -2.427 25411 5859 1 11 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.928 -1.516 25411 5860 1 11 . 1 1 86 86 ILE H H 86 7.882 7.882 7.524 0.358 25411 5861 1 11 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.756 -0.530 25411 5862 1 11 . 1 1 87 87 LYS CA C 87 59.996 59.996 58.880 1.116 25411 5863 1 11 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.596 -0.546 25411 5864 1 11 . 1 1 88 88 GLU N N 88 116.404 116.404 117.951 -1.547 25411 5865 1 11 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.320 -0.473 25411 5866 1 11 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.394 0.517 25411 5867 1 11 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.003 -0.034 25411 5868 1 11 . 1 1 88 88 GLU H H 88 7.689 7.689 7.685 0.004 25411 5869 1 11 . 1 1 89 89 LEU N N 89 118.193 118.193 121.063 -2.870 25411 5870 1 11 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.137 -0.248 25411 5871 1 11 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.776 1.187 25411 5872 1 11 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.103 -0.803 25411 5873 1 11 . 1 1 89 89 LEU H H 89 7.415 7.415 7.590 -0.175 25411 5874 1 11 . 1 1 90 90 ILE N N 90 115.471 115.471 120.535 -5.064 25411 5875 1 11 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.690 -0.272 25411 5876 1 11 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.195 0.713 25411 5877 1 11 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.621 -0.027 25411 5878 1 11 . 1 1 90 90 ILE H H 90 7.718 7.718 7.515 0.203 25411 5879 1 11 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.514 -0.794 25411 5880 1 11 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.984 0.680 25411 5881 1 11 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.045 0.487 25411 5882 1 11 . 1 1 92 92 LYS N N 92 119.253 119.253 118.767 0.486 25411 5883 1 11 . 1 1 92 92 LYS CA C 92 58.897 58.897 56.410 2.487 25411 5884 1 11 . 1 1 92 92 LYS CB C 92 31.988 31.988 31.866 0.122 25411 5885 1 11 . 1 1 92 92 LYS H H 92 7.869 7.869 7.684 0.185 25411 5886 1 11 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.032 0.499 25411 5887 1 11 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.609 -3.351 25411 5888 1 11 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.038 0.131 25411 5889 1 11 . 1 1 94 94 GLU N N 94 116.729 116.729 120.824 -4.095 25411 5890 1 11 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.092 0.041 25411 5891 1 11 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.103 0.216 25411 5892 1 11 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.282 -1.907 25411 5893 1 11 . 1 1 94 94 GLU H H 94 8.393 8.393 7.894 0.499 25411 5894 1 11 . 1 1 95 95 VAL N N 95 121.696 121.696 117.366 4.330 25411 5895 1 11 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.859 0.623 25411 5896 1 11 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.319 3.402 25411 5897 1 11 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.435 1.459 25411 5898 1 11 . 1 1 95 95 VAL H H 95 7.923 7.923 7.544 0.379 25411 5899 1 11 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.750 -0.392 25411 5900 1 11 . 1 1 97 97 PRO CA C 97 62.607 62.607 61.923 0.684 25411 5901 1 11 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.614 -0.740 25411 5902 1 11 . 1 1 98 98 GLN N N 98 117.731 117.731 119.262 -1.531 25411 5903 1 11 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.038 -0.113 25411 5904 1 11 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.619 -0.011 25411 5905 1 11 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.779 0.742 25411 5906 1 11 . 1 1 98 98 GLN H H 98 8.359 8.359 8.834 -0.475 25411 5907 1 11 . 1 1 99 99 VAL N N 99 121.326 121.326 117.868 3.458 25411 5908 1 11 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.803 -0.383 25411 5909 1 11 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.591 0.813 25411 5910 1 11 . 1 1 99 99 VAL CB C 99 31.619 31.619 30.981 0.638 25411 5911 1 11 . 1 1 99 99 VAL H H 99 7.901 7.901 8.166 -0.265 25411 5912 1 11 . 1 1 100 100 MET N N 100 120.447 120.447 116.341 4.106 25411 5913 1 11 . 1 1 100 100 MET HA H 100 3.812 3.812 4.353 -0.541 25411 5914 1 11 . 1 1 100 100 MET CA C 100 59.297 59.297 58.223 1.074 25411 5915 1 11 . 1 1 100 100 MET CB C 100 32.099 32.099 33.163 -1.064 25411 5916 1 11 . 1 1 100 100 MET H H 100 7.509 7.509 7.495 0.014 25411 5917 1 11 . 1 1 101 101 ALA N N 101 119.458 119.458 121.434 -1.976 25411 5918 1 11 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.119 0.091 25411 5919 1 11 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.316 0.436 25411 5920 1 11 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.471 -0.950 25411 5921 1 11 . 1 1 101 101 ALA H H 101 7.889 7.889 7.564 0.325 25411 5922 1 11 . 1 1 102 102 ALA N N 102 119.627 119.627 121.269 -1.642 25411 5923 1 11 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.097 -0.104 25411 5924 1 11 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.670 0.218 25411 5925 1 11 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.304 -0.960 25411 5926 1 11 . 1 1 102 102 ALA H H 102 7.563 7.563 8.296 -0.733 25411 5927 1 11 . 1 1 103 103 VAL N N 103 122.690 122.690 118.748 3.942 25411 5928 1 11 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.859 0.214 25411 5929 1 11 . 1 1 103 103 VAL CA C 103 61.685 61.685 66.032 -4.347 25411 5930 1 11 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.046 2.176 25411 5931 1 11 . 1 1 103 103 VAL H H 103 8.828 8.828 7.979 0.849 25411 5932 1 11 . 1 1 104 104 ALA N N 104 128.041 128.041 118.922 9.119 25411 5933 1 11 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.215 0.054 25411 5934 1 11 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.223 -2.082 25411 5935 1 11 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.442 0.498 25411 5936 1 11 . 1 1 104 104 ALA H H 104 8.367 8.367 7.483 0.884 25411 5937 1 11 . 1 1 105 105 GLN N N 105 120.265 120.265 114.727 5.538 25411 5938 1 11 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.090 0.841 25411 5939 1 11 . 1 1 105 105 GLN CB C 105 29.020 29.020 30.310 -1.290 25411 5940 1 11 . 1 1 105 105 GLN H H 105 8.356 8.356 7.849 0.507 25411 5941 1 11 . 1 1 106 106 THR HA H 106 4.320 4.320 4.437 -0.117 25411 5942 1 11 . 1 1 106 106 THR CA C 106 61.346 61.346 62.737 -1.391 25411 5943 1 11 . 1 1 106 106 THR CB C 106 69.293 69.293 69.412 -0.119 25411 5944 1 11 . 1 1 107 107 GLU N N 107 122.706 122.706 120.711 1.995 25411 5945 1 11 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.239 -0.057 25411 5946 1 11 . 1 1 107 107 GLU CA C 107 56.576 56.576 58.123 -1.547 25411 5947 1 11 . 1 1 107 107 GLU CB C 107 29.936 29.936 30.785 -0.849 25411 5948 1 11 . 1 1 107 107 GLU H H 107 8.404 8.404 7.652 0.752 25411 5949 1 11 . 1 1 108 108 GLU N N 108 122.034 122.034 115.864 6.170 25411 5950 1 11 . 1 1 108 108 GLU HA H 108 4.161 4.161 3.967 0.194 25411 5951 1 11 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.019 -0.370 25411 5952 1 11 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.643 0.033 25411 5953 1 11 . 1 1 108 108 GLU H H 108 7.341 7.341 8.318 -0.977 25411 5954 1 11 . 1 1 109 109 ILE N N 109 122.151 122.151 116.678 5.473 25411 5955 1 11 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.297 -0.250 25411 5956 1 11 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.982 -1.417 25411 5957 1 11 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.065 0.040 25411 5958 1 11 . 1 1 109 109 ILE H H 109 8.058 8.058 8.768 -0.710 25411 5959 1 11 . 1 1 110 110 LEU N N 110 122.427 122.427 120.944 1.483 25411 5960 1 11 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.248 0.028 25411 5961 1 11 . 1 1 110 110 LEU CA C 110 55.151 55.151 55.776 -0.625 25411 5962 1 11 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.732 -8.477 25411 5963 1 11 . 1 1 110 110 LEU H H 110 8.194 8.194 8.045 0.149 25411 5964 1 11 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.184 0.063 25411 5965 1 11 . 1 1 111 111 LYS CA C 111 56.137 56.137 57.592 -1.455 25411 5966 1 11 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.045 0.524 25411 5967 1 11 . 1 1 112 112 SER N N 112 116.453 116.453 111.226 5.227 25411 5968 1 11 . 1 1 112 112 SER HA H 112 4.175 4.175 4.004 0.171 25411 5969 1 11 . 1 1 112 112 SER CA C 112 58.311 58.311 60.293 -1.982 25411 5970 1 11 . 1 1 112 112 SER CB C 112 63.441 63.441 62.562 0.879 25411 5971 1 11 . 1 1 112 112 SER H H 112 8.204 8.204 8.323 -0.119 25411 5972 1 11 . 1 1 113 113 ASN N N 113 119.747 119.747 117.217 2.530 25411 5973 1 11 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.834 -0.190 25411 5974 1 11 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.270 1.375 25411 5975 1 11 . 1 1 113 113 ASN CB C 113 38.646 38.646 39.430 -0.784 25411 5976 1 11 . 1 1 113 113 ASN H H 113 7.944 7.944 7.714 0.230 25411 5977 1 11 . 1 1 114 114 SER N N 114 115.433 115.433 114.802 0.631 25411 5978 1 11 . 1 1 114 114 SER HA H 114 4.336 4.336 4.425 -0.089 25411 5979 1 11 . 1 1 114 114 SER CA C 114 58.711 58.711 59.345 -0.634 25411 5980 1 11 . 1 1 114 114 SER CB C 114 63.308 63.308 62.186 1.122 25411 5981 1 11 . 1 1 114 114 SER H H 114 7.962 7.962 8.553 -0.591 25411 5982 1 11 . 1 1 115 115 GLN N N 115 121.682 121.682 119.492 2.190 25411 5983 1 11 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.644 -0.370 25411 5984 1 11 . 1 1 115 115 GLN CA C 115 56.193 56.193 55.408 0.785 25411 5985 1 11 . 1 1 115 115 GLN CB C 115 28.807 28.807 31.269 -2.462 25411 5986 1 11 . 1 1 115 115 GLN H H 115 8.207 8.207 8.300 -0.093 25411 5987 1 11 . 1 1 116 116 THR N N 116 114.715 114.715 109.052 5.663 25411 5988 1 11 . 1 1 116 116 THR HA H 116 4.225 4.225 4.885 -0.660 25411 5989 1 11 . 1 1 116 116 THR CA C 116 62.109 62.109 59.516 2.593 25411 5990 1 11 . 1 1 116 116 THR CB C 116 69.336 69.336 72.074 -2.738 25411 5991 1 11 . 1 1 116 116 THR H H 116 8.062 8.062 7.848 0.214 25411 5992 1 11 . 1 1 117 117 ASP N N 117 122.602 122.602 120.997 1.605 25411 5993 1 11 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.168 0.400 25411 5994 1 11 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.434 -2.230 25411 5995 1 11 . 1 1 117 117 ASP CB C 117 40.665 40.665 39.767 0.898 25411 5996 1 11 . 1 1 117 117 ASP H H 117 8.065 8.065 8.865 -0.800 25411 5997 1 11 . 1 1 118 118 LEU N N 118 122.140 122.140 119.032 3.108 25411 5998 1 11 . 1 1 118 118 LEU HA H 118 4.155 4.155 3.793 0.362 25411 5999 1 11 . 1 1 118 118 LEU CA C 118 55.423 55.423 55.692 -0.269 25411 6000 1 11 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.638 0.235 25411 6001 1 11 . 1 1 118 118 LEU H H 118 8.085 8.085 7.740 0.345 25411 6002 1 11 . 1 1 119 119 GLU N N 119 119.672 119.672 116.503 3.169 25411 6003 1 11 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.673 0.395 25411 6004 1 11 . 1 1 119 119 GLU CA C 119 56.565 56.565 58.278 -1.713 25411 6005 1 11 . 1 1 119 119 GLU CB C 119 29.572 29.572 28.125 1.448 25411 6006 1 11 . 1 1 119 119 GLU H H 119 8.143 8.143 8.165 -0.022 25411 6007 1 11 . 1 1 120 120 HIS N N 120 118.301 118.301 119.609 -1.308 25411 6008 1 11 . 1 1 120 120 HIS CA C 120 55.883 55.883 54.656 1.227 25411 6009 1 11 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.964 -0.694 25411 6010 1 11 . 1 1 120 120 HIS H H 120 8.107 8.107 7.949 0.158 25411 6011 1 11 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.118 -0.110 25411 6012 1 11 . 1 1 121 121 HIS CA C 121 55.166 55.166 57.327 -2.160 25411 6013 1 11 . 1 1 121 121 HIS CB C 121 28.759 28.759 27.638 1.121 25411 6014 1 11 . 1 1 122 122 HIS N N 122 122.407 122.407 122.169 0.238 25411 6015 1 11 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.726 -0.508 25411 6016 1 11 . 1 1 122 122 HIS CA C 122 56.081 56.081 53.810 2.271 25411 6017 1 11 . 1 1 122 122 HIS CB C 122 29.371 29.371 32.258 -2.887 25411 6018 1 11 . 1 1 122 122 HIS H H 122 8.489 8.489 8.069 0.420 25411 6019 1 11 . 1 1 123 123 HIS N N 123 122.868 122.868 120.494 2.374 25411 6020 1 11 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.371 0.016 25411 6021 1 11 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.570 -0.260 25411 6022 1 11 . 1 1 123 123 HIS CB C 123 29.502 29.502 28.917 0.585 25411 6023 1 11 . 1 1 123 123 HIS H H 123 8.596 8.596 8.580 0.016 25411 6024 1 11 . 1 1 124 124 HIS N N 124 123.734 123.734 124.693 -0.959 25411 6025 1 11 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.728 -0.171 25411 6026 1 11 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.466 0.919 25411 6027 1 11 . 1 1 124 124 HIS CB C 124 29.358 29.358 27.649 1.708 25411 6028 1 11 . 1 1 124 124 HIS H H 124 8.255 8.255 8.194 0.061 25411 6029 1 12 . 1 1 3 3 GLN N N 3 122.360 122.360 120.269 2.091 25411 6030 1 12 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.284 -0.396 25411 6031 1 12 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.922 1.820 25411 6032 1 12 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.758 -0.375 25411 6033 1 12 . 1 1 3 3 GLN H H 3 9.398 9.398 8.593 0.805 25411 6034 1 12 . 1 1 4 4 GLU N N 4 119.689 119.689 119.829 -0.140 25411 6035 1 12 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.161 0.513 25411 6036 1 12 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.837 -0.030 25411 6037 1 12 . 1 1 4 4 GLU CB C 4 28.700 28.700 29.262 -0.562 25411 6038 1 12 . 1 1 4 4 GLU H H 4 7.464 7.464 8.786 -1.322 25411 6039 1 12 . 1 1 5 5 LEU N N 5 114.872 114.872 121.895 -7.023 25411 6040 1 12 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.110 -0.409 25411 6041 1 12 . 1 1 5 5 LEU CA C 5 57.738 57.738 57.924 -0.186 25411 6042 1 12 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.971 -1.156 25411 6043 1 12 . 1 1 5 5 LEU H H 5 8.206 8.206 7.555 0.651 25411 6044 1 12 . 1 1 6 6 SER N N 6 109.762 109.762 113.352 -3.590 25411 6045 1 12 . 1 1 6 6 SER HA H 6 4.092 4.092 4.074 0.018 25411 6046 1 12 . 1 1 6 6 SER CA C 6 60.415 60.415 61.897 -1.482 25411 6047 1 12 . 1 1 6 6 SER CB C 6 63.391 63.391 62.585 0.806 25411 6048 1 12 . 1 1 6 6 SER H H 6 8.253 8.253 7.970 0.283 25411 6049 1 12 . 1 1 7 7 GLN N N 7 117.498 117.498 122.564 -5.066 25411 6050 1 12 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.148 -0.193 25411 6051 1 12 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.707 -0.282 25411 6052 1 12 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.732 0.007 25411 6053 1 12 . 1 1 7 7 GLN H H 7 8.673 8.673 7.929 0.744 25411 6054 1 12 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.370 -0.573 25411 6055 1 12 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.679 -0.624 25411 6056 1 12 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.106 -0.997 25411 6057 1 12 . 1 1 9 9 GLU N N 9 120.354 120.354 119.423 0.931 25411 6058 1 12 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.131 -0.172 25411 6059 1 12 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.576 0.682 25411 6060 1 12 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.711 -0.484 25411 6061 1 12 . 1 1 9 9 GLU H H 9 7.690 7.690 8.448 -0.758 25411 6062 1 12 . 1 1 10 10 ARG N N 10 118.753 118.753 119.956 -1.203 25411 6063 1 12 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.059 0.040 25411 6064 1 12 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.364 -1.143 25411 6065 1 12 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.163 -1.068 25411 6066 1 12 . 1 1 10 10 ARG H H 10 8.928 8.928 7.911 1.017 25411 6067 1 12 . 1 1 11 11 TYR N N 11 121.288 121.288 119.854 1.434 25411 6068 1 12 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.302 -0.113 25411 6069 1 12 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.510 -1.274 25411 6070 1 12 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.593 -0.732 25411 6071 1 12 . 1 1 11 11 TYR H H 11 7.562 7.562 8.863 -1.301 25411 6072 1 12 . 1 1 12 12 VAL N N 12 119.304 119.304 119.718 -0.414 25411 6073 1 12 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.726 -0.643 25411 6074 1 12 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.699 0.136 25411 6075 1 12 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.768 -0.669 25411 6076 1 12 . 1 1 12 12 VAL H H 12 8.075 8.075 7.909 0.166 25411 6077 1 12 . 1 1 13 13 GLU N N 13 119.685 119.685 119.982 -0.297 25411 6078 1 12 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.028 0.127 25411 6079 1 12 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.251 0.174 25411 6080 1 12 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.238 -0.050 25411 6081 1 12 . 1 1 13 13 GLU H H 13 8.278 8.278 7.908 0.370 25411 6082 1 12 . 1 1 14 14 GLN N N 14 119.682 119.682 119.914 -0.232 25411 6083 1 12 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.023 -0.367 25411 6084 1 12 . 1 1 14 14 GLN CA C 14 59.969 59.969 59.055 0.914 25411 6085 1 12 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.606 1.067 25411 6086 1 12 . 1 1 14 14 GLN H H 14 7.653 7.653 8.252 -0.599 25411 6087 1 12 . 1 1 15 15 LEU N N 15 121.000 121.000 118.564 2.436 25411 6088 1 12 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.189 -0.268 25411 6089 1 12 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.123 1.332 25411 6090 1 12 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.228 -0.468 25411 6091 1 12 . 1 1 15 15 LEU H H 15 8.402 8.402 8.635 -0.233 25411 6092 1 12 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.891 -0.195 25411 6093 1 12 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.403 -0.145 25411 6094 1 12 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.300 -0.165 25411 6095 1 12 . 1 1 17 17 GLN N N 17 117.558 117.558 118.502 -0.944 25411 6096 1 12 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.079 -0.192 25411 6097 1 12 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.713 -0.271 25411 6098 1 12 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.742 -0.697 25411 6099 1 12 . 1 1 17 17 GLN H H 17 7.849 7.849 8.048 -0.199 25411 6100 1 12 . 1 1 18 18 ALA N N 18 120.288 120.288 123.101 -2.813 25411 6101 1 12 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.188 -0.400 25411 6102 1 12 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.882 0.011 25411 6103 1 12 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.656 -1.260 25411 6104 1 12 . 1 1 18 18 ALA H H 18 8.504 8.504 8.293 0.211 25411 6105 1 12 . 1 1 19 19 LEU N N 19 116.974 116.974 118.371 -1.397 25411 6106 1 12 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.092 -0.333 25411 6107 1 12 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.920 0.632 25411 6108 1 12 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.860 -1.167 25411 6109 1 12 . 1 1 19 19 LEU H H 19 8.143 8.143 8.384 -0.241 25411 6110 1 12 . 1 1 20 20 LYS N N 20 117.776 117.776 121.888 -4.112 25411 6111 1 12 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.087 -0.132 25411 6112 1 12 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.542 0.002 25411 6113 1 12 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.444 -1.958 25411 6114 1 12 . 1 1 20 20 LYS H H 20 8.340 8.340 8.130 0.210 25411 6115 1 12 . 1 1 21 21 THR N N 21 116.373 116.373 111.369 5.004 25411 6116 1 12 . 1 1 21 21 THR HA H 21 4.107 4.107 4.206 -0.099 25411 6117 1 12 . 1 1 21 21 THR CA C 21 64.611 64.611 64.320 0.291 25411 6118 1 12 . 1 1 21 21 THR CB C 21 68.811 68.811 68.566 0.245 25411 6119 1 12 . 1 1 21 21 THR H H 21 7.302 7.302 7.986 -0.684 25411 6120 1 12 . 1 1 22 22 ARG N N 22 118.647 118.647 119.593 -0.946 25411 6121 1 12 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.456 -0.094 25411 6122 1 12 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.813 -1.748 25411 6123 1 12 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.002 -1.474 25411 6124 1 12 . 1 1 22 22 ARG H H 22 7.290 7.290 7.775 -0.485 25411 6125 1 12 . 1 1 23 23 GLY N N 23 108.637 108.637 107.940 0.697 25411 6126 1 12 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.557 0.555 25411 6127 1 12 . 1 1 23 23 GLY H H 23 7.881 7.881 7.720 0.161 25411 6128 1 12 . 1 1 24 24 VAL N N 24 117.390 117.390 122.415 -5.025 25411 6129 1 12 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.725 0.289 25411 6130 1 12 . 1 1 24 24 VAL CA C 24 61.668 61.668 62.793 -1.125 25411 6131 1 12 . 1 1 24 24 VAL CB C 24 32.372 32.372 29.199 3.173 25411 6132 1 12 . 1 1 24 24 VAL H H 24 7.333 7.333 7.527 -0.194 25411 6133 1 12 . 1 1 25 25 LYS N N 25 127.322 127.322 118.616 8.706 25411 6134 1 12 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.879 0.453 25411 6135 1 12 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.632 -1.870 25411 6136 1 12 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.630 0.131 25411 6137 1 12 . 1 1 25 25 LYS H H 25 8.722 8.722 8.278 0.444 25411 6138 1 12 . 1 1 26 26 VAL N N 26 120.568 120.568 119.389 1.179 25411 6139 1 12 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.293 -0.215 25411 6140 1 12 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.587 -0.922 25411 6141 1 12 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.490 0.156 25411 6142 1 12 . 1 1 26 26 VAL H H 26 7.119 7.119 8.264 -1.145 25411 6143 1 12 . 1 1 27 27 LYS N N 27 125.675 125.675 125.280 0.395 25411 6144 1 12 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.442 -0.116 25411 6145 1 12 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.090 0.321 25411 6146 1 12 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.407 -2.448 25411 6147 1 12 . 1 1 27 27 LYS H H 27 8.570 8.570 7.898 0.672 25411 6148 1 12 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.596 -0.579 25411 6149 1 12 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.242 -1.830 25411 6150 1 12 . 1 1 28 28 TYR CB C 28 40.840 40.840 39.144 1.696 25411 6151 1 12 . 1 1 29 29 ALA N N 29 120.743 120.743 128.662 -7.919 25411 6152 1 12 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.179 -0.511 25411 6153 1 12 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.151 -0.473 25411 6154 1 12 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.264 -1.264 25411 6155 1 12 . 1 1 29 29 ALA H H 29 8.323 8.323 8.883 -0.560 25411 6156 1 12 . 1 1 30 30 ASP N N 30 117.202 117.202 118.998 -1.796 25411 6157 1 12 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.343 -0.062 25411 6158 1 12 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.424 0.129 25411 6159 1 12 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.859 -0.052 25411 6160 1 12 . 1 1 30 30 ASP H H 30 6.872 6.872 8.786 -1.914 25411 6161 1 12 . 1 1 31 31 LEU N N 31 122.273 122.273 119.025 3.248 25411 6162 1 12 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.298 -0.752 25411 6163 1 12 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.569 0.156 25411 6164 1 12 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.222 -1.564 25411 6165 1 12 . 1 1 31 31 LEU H H 31 7.433 7.433 7.643 -0.210 25411 6166 1 12 . 1 1 32 32 LEU N N 32 123.376 123.376 119.062 4.314 25411 6167 1 12 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.127 -0.512 25411 6168 1 12 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.976 0.120 25411 6169 1 12 . 1 1 32 32 LEU CB C 32 40.542 40.542 42.122 -1.580 25411 6170 1 12 . 1 1 32 32 LEU H H 32 8.727 8.727 7.854 0.873 25411 6171 1 12 . 1 1 33 33 LYS N N 33 118.078 118.078 120.164 -2.086 25411 6172 1 12 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.362 -0.149 25411 6173 1 12 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.109 -0.011 25411 6174 1 12 . 1 1 33 33 LYS CB C 33 31.890 31.890 31.783 0.107 25411 6175 1 12 . 1 1 33 33 LYS H H 33 7.149 7.149 7.503 -0.354 25411 6176 1 12 . 1 1 34 34 PHE N N 34 117.398 117.398 121.297 -3.899 25411 6177 1 12 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.870 -5.175 25411 6178 1 12 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.252 1.967 25411 6179 1 12 . 1 1 34 34 PHE H H 34 7.633 7.633 8.636 -1.003 25411 6180 1 12 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.043 -0.250 25411 6181 1 12 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.861 -0.269 25411 6182 1 12 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.386 -2.372 25411 6183 1 12 . 1 1 36 36 ASP N N 36 120.136 120.136 119.460 0.676 25411 6184 1 12 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.373 -0.277 25411 6185 1 12 . 1 1 36 36 ASP CA C 36 56.941 56.941 56.864 0.077 25411 6186 1 12 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.024 -0.920 25411 6187 1 12 . 1 1 36 36 ASP H H 36 8.330 8.330 8.699 -0.369 25411 6188 1 12 . 1 1 37 37 PHE N N 37 121.883 121.883 120.402 1.481 25411 6189 1 12 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.300 -0.042 25411 6190 1 12 . 1 1 37 37 PHE CA C 37 59.698 59.698 60.545 -0.847 25411 6191 1 12 . 1 1 37 37 PHE CB C 37 40.185 40.185 38.740 1.445 25411 6192 1 12 . 1 1 37 37 PHE H H 37 7.794 7.794 8.372 -0.578 25411 6193 1 12 . 1 1 38 38 VAL N N 38 118.525 118.525 119.199 -0.674 25411 6194 1 12 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.641 -0.602 25411 6195 1 12 . 1 1 38 38 VAL CA C 38 66.882 66.882 65.855 1.027 25411 6196 1 12 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.045 -0.357 25411 6197 1 12 . 1 1 38 38 VAL H H 38 8.262 8.262 7.754 0.508 25411 6198 1 12 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.961 -0.505 25411 6199 1 12 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.181 -0.127 25411 6200 1 12 . 1 1 39 39 LYS CB C 39 31.696 31.696 32.052 -0.356 25411 6201 1 12 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.778 -0.333 25411 6202 1 12 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.573 0.412 25411 6203 1 12 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.965 -1.273 25411 6204 1 12 . 1 1 41 41 ILE N N 41 120.641 120.641 119.175 1.466 25411 6205 1 12 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.118 -0.093 25411 6206 1 12 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.958 -3.306 25411 6207 1 12 . 1 1 41 41 ILE CB C 41 38.064 38.064 39.205 -1.141 25411 6208 1 12 . 1 1 41 41 ILE H H 41 8.788 8.788 8.401 0.387 25411 6209 1 12 . 1 1 42 42 CYS N N 42 117.896 117.896 112.940 4.956 25411 6210 1 12 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.454 0.718 25411 6211 1 12 . 1 1 42 42 CYS CB C 42 28.324 28.324 28.284 0.040 25411 6212 1 12 . 1 1 42 42 CYS H H 42 7.180 7.180 7.806 -0.626 25411 6213 1 12 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.118 0.197 25411 6214 1 12 . 1 1 43 43 PRO CA C 43 65.003 65.003 65.338 -0.335 25411 6215 1 12 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.254 -0.539 25411 6216 1 12 . 1 1 44 44 TRP N N 44 113.823 113.823 116.235 -2.412 25411 6217 1 12 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.438 -0.133 25411 6218 1 12 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.307 -1.909 25411 6219 1 12 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.820 -2.009 25411 6220 1 12 . 1 1 44 44 TRP H H 44 6.591 6.591 7.614 -1.023 25411 6221 1 12 . 1 1 45 45 PHE N N 45 123.100 123.100 117.027 6.073 25411 6222 1 12 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.021 -1.020 25411 6223 1 12 . 1 1 45 45 PHE CA C 45 62.809 62.809 55.866 6.943 25411 6224 1 12 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.804 -3.869 25411 6225 1 12 . 1 1 45 45 PHE H H 45 7.239 7.239 7.767 -0.528 25411 6226 1 12 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.251 -0.239 25411 6227 1 12 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.519 0.012 25411 6228 1 12 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.730 -1.243 25411 6229 1 12 . 1 1 47 47 GLN N N 47 114.502 114.502 116.600 -2.098 25411 6230 1 12 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.135 -0.198 25411 6231 1 12 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.275 0.129 25411 6232 1 12 . 1 1 47 47 GLN CB C 47 28.320 28.320 28.183 0.137 25411 6233 1 12 . 1 1 47 47 GLN H H 47 6.518 6.518 8.562 -2.044 25411 6234 1 12 . 1 1 48 48 GLU N N 48 117.358 117.358 118.943 -1.585 25411 6235 1 12 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.202 -0.164 25411 6236 1 12 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.770 1.403 25411 6237 1 12 . 1 1 48 48 GLU CB C 48 28.954 28.954 29.961 -1.007 25411 6238 1 12 . 1 1 48 48 GLU H H 48 7.318 7.318 7.947 -0.629 25411 6239 1 12 . 1 1 49 49 GLY N N 49 105.534 105.534 108.867 -3.333 25411 6240 1 12 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.986 1.317 25411 6241 1 12 . 1 1 49 49 GLY H H 49 7.296 7.296 7.918 -0.622 25411 6242 1 12 . 1 1 50 50 THR N N 50 114.069 114.069 113.738 0.331 25411 6243 1 12 . 1 1 50 50 THR HA H 50 4.234 4.234 4.494 -0.260 25411 6244 1 12 . 1 1 50 50 THR CA C 50 61.683 61.683 60.522 1.161 25411 6245 1 12 . 1 1 50 50 THR CB C 50 70.718 70.718 70.756 -0.038 25411 6246 1 12 . 1 1 50 50 THR H H 50 7.597 7.597 7.607 -0.010 25411 6247 1 12 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.044 0.081 25411 6248 1 12 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.479 -1.609 25411 6249 1 12 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.189 -3.901 25411 6250 1 12 . 1 1 52 52 ASP N N 52 121.791 121.791 123.731 -1.940 25411 6251 1 12 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.805 -0.182 25411 6252 1 12 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.910 -1.178 25411 6253 1 12 . 1 1 52 52 ASP CB C 52 42.461 42.461 42.860 -0.399 25411 6254 1 12 . 1 1 52 52 ASP H H 52 7.168 7.168 8.222 -1.054 25411 6255 1 12 . 1 1 53 53 ILE N N 53 119.537 119.537 118.247 1.290 25411 6256 1 12 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.498 -0.363 25411 6257 1 12 . 1 1 53 53 ILE CA C 53 61.796 61.796 61.982 -0.186 25411 6258 1 12 . 1 1 53 53 ILE CB C 53 37.815 37.815 40.139 -2.324 25411 6259 1 12 . 1 1 53 53 ILE H H 53 8.336 8.336 8.297 0.039 25411 6260 1 12 . 1 1 54 54 LYS N N 54 123.592 123.592 121.620 1.972 25411 6261 1 12 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.038 0.067 25411 6262 1 12 . 1 1 54 54 LYS CA C 54 59.972 59.972 59.803 0.169 25411 6263 1 12 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.167 -0.419 25411 6264 1 12 . 1 1 54 54 LYS H H 54 8.104 8.104 8.090 0.014 25411 6265 1 12 . 1 1 55 55 ARG N N 55 120.511 120.511 119.653 0.858 25411 6266 1 12 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.095 0.206 25411 6267 1 12 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.320 0.583 25411 6268 1 12 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.576 -0.520 25411 6269 1 12 . 1 1 55 55 ARG H H 55 9.196 9.196 8.977 0.219 25411 6270 1 12 . 1 1 56 56 TRP N N 56 120.681 120.681 121.946 -1.265 25411 6271 1 12 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.382 0.321 25411 6272 1 12 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.187 -0.781 25411 6273 1 12 . 1 1 56 56 TRP CB C 56 30.014 30.014 28.840 1.174 25411 6274 1 12 . 1 1 56 56 TRP H H 56 8.899 8.899 8.923 -0.024 25411 6275 1 12 . 1 1 57 57 ARG N N 57 122.115 122.115 120.309 1.806 25411 6276 1 12 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.227 1.180 25411 6277 1 12 . 1 1 57 57 ARG CA C 57 60.027 60.027 58.954 1.073 25411 6278 1 12 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.427 0.359 25411 6279 1 12 . 1 1 57 57 ARG H H 57 9.210 9.210 7.828 1.382 25411 6280 1 12 . 1 1 58 58 ARG N N 58 120.918 120.918 119.305 1.613 25411 6281 1 12 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.427 0.418 25411 6282 1 12 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.082 -0.353 25411 6283 1 12 . 1 1 58 58 ARG H H 58 7.640 7.640 7.537 0.103 25411 6284 1 12 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.733 0.031 25411 6285 1 12 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.312 0.688 25411 6286 1 12 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.173 -0.341 25411 6287 1 12 . 1 1 59 59 VAL H H 59 7.916 7.916 7.863 0.053 25411 6288 1 12 . 1 1 60 60 GLY N N 60 106.856 106.856 107.626 -0.770 25411 6289 1 12 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.397 -1.315 25411 6290 1 12 . 1 1 60 60 GLY H H 60 7.623 7.623 8.604 -0.981 25411 6291 1 12 . 1 1 61 61 ASP N N 61 123.308 123.308 122.899 0.409 25411 6292 1 12 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.902 -0.677 25411 6293 1 12 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.032 -0.232 25411 6294 1 12 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.964 -1.480 25411 6295 1 12 . 1 1 61 61 ASP H H 61 8.203 8.203 8.141 0.062 25411 6296 1 12 . 1 1 62 62 CYS N N 62 120.841 120.841 118.751 2.090 25411 6297 1 12 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.047 0.191 25411 6298 1 12 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.020 -1.070 25411 6299 1 12 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.692 -0.189 25411 6300 1 12 . 1 1 62 62 CYS H H 62 7.795 7.795 7.521 0.274 25411 6301 1 12 . 1 1 63 63 PHE N N 63 119.763 119.763 118.656 1.107 25411 6302 1 12 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.309 -0.031 25411 6303 1 12 . 1 1 63 63 PHE CA C 63 58.657 58.657 60.865 -2.208 25411 6304 1 12 . 1 1 63 63 PHE CB C 63 36.990 36.990 38.044 -1.054 25411 6305 1 12 . 1 1 63 63 PHE H H 63 8.647 8.647 7.542 1.105 25411 6306 1 12 . 1 1 64 64 GLN N N 64 118.578 118.578 119.761 -1.183 25411 6307 1 12 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.112 0.196 25411 6308 1 12 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.456 0.877 25411 6309 1 12 . 1 1 64 64 GLN CB C 64 28.579 28.579 27.975 0.604 25411 6310 1 12 . 1 1 64 64 GLN H H 64 8.261 8.261 8.433 -0.172 25411 6311 1 12 . 1 1 65 65 ASP N N 65 119.534 119.534 121.567 -2.033 25411 6312 1 12 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.454 0.030 25411 6313 1 12 . 1 1 65 65 ASP CA C 65 57.329 57.329 56.839 0.490 25411 6314 1 12 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.832 -1.161 25411 6315 1 12 . 1 1 65 65 ASP H H 65 8.338 8.338 8.523 -0.185 25411 6316 1 12 . 1 1 66 66 TYR N N 66 123.600 123.600 122.217 1.383 25411 6317 1 12 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.953 0.549 25411 6318 1 12 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.182 -0.951 25411 6319 1 12 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.537 -0.104 25411 6320 1 12 . 1 1 66 66 TYR H H 66 7.804 7.804 8.324 -0.520 25411 6321 1 12 . 1 1 67 67 TYR N N 67 122.825 122.825 117.980 4.845 25411 6322 1 12 . 1 1 67 67 TYR HA H 67 3.997 3.997 4.230 -0.233 25411 6323 1 12 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.411 0.492 25411 6324 1 12 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.595 0.351 25411 6325 1 12 . 1 1 67 67 TYR H H 67 9.100 9.100 8.012 1.088 25411 6326 1 12 . 1 1 68 68 ASN N N 68 118.826 118.826 117.253 1.573 25411 6327 1 12 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.287 -0.004 25411 6328 1 12 . 1 1 68 68 ASN CA C 68 55.432 55.432 56.060 -0.628 25411 6329 1 12 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.284 -0.408 25411 6330 1 12 . 1 1 68 68 ASN H H 68 8.853 8.853 8.631 0.222 25411 6331 1 12 . 1 1 69 69 THR N N 69 114.242 114.242 115.060 -0.818 25411 6332 1 12 . 1 1 69 69 THR HA H 69 3.837 3.837 4.035 -0.198 25411 6333 1 12 . 1 1 69 69 THR CA C 69 65.328 65.328 65.105 0.224 25411 6334 1 12 . 1 1 69 69 THR CB C 69 69.249 69.249 68.400 0.849 25411 6335 1 12 . 1 1 69 69 THR H H 69 7.847 7.847 7.995 -0.148 25411 6336 1 12 . 1 1 70 70 PHE N N 70 117.970 117.970 118.712 -0.742 25411 6337 1 12 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.382 0.182 25411 6338 1 12 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.851 0.391 25411 6339 1 12 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.400 2.674 25411 6340 1 12 . 1 1 70 70 PHE H H 70 8.489 8.489 7.134 1.355 25411 6341 1 12 . 1 1 71 71 GLY N N 71 109.516 109.516 108.347 1.169 25411 6342 1 12 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.791 0.241 25411 6343 1 12 . 1 1 71 71 GLY H H 71 7.968 7.968 7.486 0.482 25411 6344 1 12 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.372 0.339 25411 6345 1 12 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.239 1.058 25411 6346 1 12 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.223 0.521 25411 6347 1 12 . 1 1 73 73 GLU N N 73 117.720 117.720 126.669 -8.949 25411 6348 1 12 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.043 -0.144 25411 6349 1 12 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.642 0.094 25411 6350 1 12 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.571 -0.708 25411 6351 1 12 . 1 1 73 73 GLU H H 73 8.586 8.586 8.421 0.165 25411 6352 1 12 . 1 1 74 74 LYS N N 74 116.974 116.974 118.835 -1.861 25411 6353 1 12 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.392 -0.003 25411 6354 1 12 . 1 1 74 74 LYS CA C 74 55.185 55.185 54.760 0.425 25411 6355 1 12 . 1 1 74 74 LYS CB C 74 34.087 34.087 30.912 3.175 25411 6356 1 12 . 1 1 74 74 LYS H H 74 7.505 7.505 8.197 -0.692 25411 6357 1 12 . 1 1 75 75 VAL N N 75 117.309 117.309 123.318 -6.009 25411 6358 1 12 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.188 0.125 25411 6359 1 12 . 1 1 75 75 VAL CA C 75 62.045 62.045 61.248 0.797 25411 6360 1 12 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.295 -0.311 25411 6361 1 12 . 1 1 75 75 VAL H H 75 7.402 7.402 7.399 0.003 25411 6362 1 12 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.543 0.019 25411 6363 1 12 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.679 -0.992 25411 6364 1 12 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.541 -0.810 25411 6365 1 12 . 1 1 77 77 VAL N N 77 120.870 120.870 121.524 -0.654 25411 6366 1 12 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.169 -0.341 25411 6367 1 12 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.209 1.629 25411 6368 1 12 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.745 -0.358 25411 6369 1 12 . 1 1 77 77 VAL H H 77 8.473 8.473 8.818 -0.345 25411 6370 1 12 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.833 0.019 25411 6371 1 12 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.107 -2.982 25411 6372 1 12 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.905 0.230 25411 6373 1 12 . 1 1 78 78 ILE H H 78 8.388 8.388 7.991 0.397 25411 6374 1 12 . 1 1 79 79 ALA N N 79 123.960 123.960 123.473 0.487 25411 6375 1 12 . 1 1 79 79 ALA HA H 79 3.890 3.890 3.906 -0.016 25411 6376 1 12 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.439 0.450 25411 6377 1 12 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.390 -0.767 25411 6378 1 12 . 1 1 79 79 ALA H H 79 7.953 7.953 7.958 -0.005 25411 6379 1 12 . 1 1 80 80 PHE N N 80 114.330 114.330 113.979 0.351 25411 6380 1 12 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.522 -0.091 25411 6381 1 12 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.909 1.403 25411 6382 1 12 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.318 -1.662 25411 6383 1 12 . 1 1 80 80 PHE H H 80 7.499 7.499 8.169 -0.670 25411 6384 1 12 . 1 1 81 81 SER N N 81 115.971 115.971 113.963 2.008 25411 6385 1 12 . 1 1 81 81 SER HA H 81 4.206 4.206 4.466 -0.260 25411 6386 1 12 . 1 1 81 81 SER CA C 81 58.432 58.432 59.103 -0.671 25411 6387 1 12 . 1 1 81 81 SER CB C 81 63.575 63.575 63.945 -0.370 25411 6388 1 12 . 1 1 81 81 SER H H 81 8.225 8.225 7.813 0.412 25411 6389 1 12 . 1 1 82 82 TYR N N 82 121.997 121.997 124.338 -2.341 25411 6390 1 12 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.279 0.168 25411 6391 1 12 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.213 -4.328 25411 6392 1 12 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.193 -0.354 25411 6393 1 12 . 1 1 82 82 TYR H H 82 8.378 8.378 7.576 0.802 25411 6394 1 12 . 1 1 83 83 TRP N N 83 120.268 120.268 117.752 2.516 25411 6395 1 12 . 1 1 83 83 TRP CA C 83 57.393 57.393 60.469 -3.076 25411 6396 1 12 . 1 1 83 83 TRP CB C 83 28.894 28.894 28.015 0.879 25411 6397 1 12 . 1 1 83 83 TRP H H 83 8.546 8.546 8.272 0.274 25411 6398 1 12 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.486 -0.266 25411 6399 1 12 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.815 -0.186 25411 6400 1 12 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.868 1.197 25411 6401 1 12 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.424 -0.378 25411 6402 1 12 . 1 1 85 85 LEU CA C 85 58.142 58.142 56.908 1.234 25411 6403 1 12 . 1 1 85 85 LEU CB C 85 41.692 41.692 42.130 -0.438 25411 6404 1 12 . 1 1 86 86 ILE N N 86 117.000 117.000 120.209 -3.209 25411 6405 1 12 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.533 -0.087 25411 6406 1 12 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.857 -2.574 25411 6407 1 12 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.204 -1.792 25411 6408 1 12 . 1 1 86 86 ILE H H 86 7.882 7.882 7.853 0.029 25411 6409 1 12 . 1 1 87 87 LYS HA H 87 3.226 3.226 4.085 -0.859 25411 6410 1 12 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.338 0.658 25411 6411 1 12 . 1 1 87 87 LYS CB C 87 31.050 31.050 32.322 -1.272 25411 6412 1 12 . 1 1 88 88 GLU N N 88 116.404 116.404 117.992 -1.588 25411 6413 1 12 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.415 -0.569 25411 6414 1 12 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.444 0.467 25411 6415 1 12 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.083 -0.114 25411 6416 1 12 . 1 1 88 88 GLU H H 88 7.689 7.689 7.899 -0.210 25411 6417 1 12 . 1 1 89 89 LEU N N 89 118.193 118.193 121.616 -3.423 25411 6418 1 12 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.199 -0.310 25411 6419 1 12 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.679 1.284 25411 6420 1 12 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.141 -0.841 25411 6421 1 12 . 1 1 89 89 LEU H H 89 7.415 7.415 7.511 -0.096 25411 6422 1 12 . 1 1 90 90 ILE N N 90 115.471 115.471 120.644 -5.173 25411 6423 1 12 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.658 -0.240 25411 6424 1 12 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.165 0.743 25411 6425 1 12 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.611 -0.017 25411 6426 1 12 . 1 1 90 90 ILE H H 90 7.718 7.718 7.597 0.121 25411 6427 1 12 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.505 -0.785 25411 6428 1 12 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.648 1.016 25411 6429 1 12 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.031 0.501 25411 6430 1 12 . 1 1 92 92 LYS N N 92 119.253 119.253 118.632 0.621 25411 6431 1 12 . 1 1 92 92 LYS CA C 92 58.897 58.897 56.583 2.314 25411 6432 1 12 . 1 1 92 92 LYS CB C 92 31.988 31.988 31.974 0.015 25411 6433 1 12 . 1 1 92 92 LYS H H 92 7.869 7.869 7.747 0.122 25411 6434 1 12 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.972 0.559 25411 6435 1 12 . 1 1 93 93 LYS CA C 93 55.258 55.258 59.080 -3.822 25411 6436 1 12 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.191 -0.022 25411 6437 1 12 . 1 1 94 94 GLU N N 94 116.729 116.729 119.693 -2.964 25411 6438 1 12 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.173 -0.040 25411 6439 1 12 . 1 1 94 94 GLU CA C 94 59.319 59.319 58.442 0.877 25411 6440 1 12 . 1 1 94 94 GLU CB C 94 27.375 27.375 28.845 -1.470 25411 6441 1 12 . 1 1 94 94 GLU H H 94 8.393 8.393 8.054 0.339 25411 6442 1 12 . 1 1 95 95 VAL N N 95 121.696 121.696 118.155 3.541 25411 6443 1 12 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.892 0.590 25411 6444 1 12 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.314 3.407 25411 6445 1 12 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.513 1.381 25411 6446 1 12 . 1 1 95 95 VAL H H 95 7.923 7.923 7.660 0.263 25411 6447 1 12 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.477 -0.119 25411 6448 1 12 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.500 0.107 25411 6449 1 12 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.653 -0.779 25411 6450 1 12 . 1 1 98 98 GLN N N 98 117.731 117.731 118.868 -1.137 25411 6451 1 12 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.065 -0.140 25411 6452 1 12 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.012 0.596 25411 6453 1 12 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.828 0.693 25411 6454 1 12 . 1 1 98 98 GLN H H 98 8.359 8.359 8.269 0.090 25411 6455 1 12 . 1 1 99 99 VAL N N 99 121.326 121.326 118.028 3.298 25411 6456 1 12 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.733 -0.313 25411 6457 1 12 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.482 0.922 25411 6458 1 12 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.407 0.212 25411 6459 1 12 . 1 1 99 99 VAL H H 99 7.901 7.901 8.254 -0.353 25411 6460 1 12 . 1 1 100 100 MET N N 100 120.447 120.447 116.112 4.335 25411 6461 1 12 . 1 1 100 100 MET HA H 100 3.812 3.812 4.406 -0.594 25411 6462 1 12 . 1 1 100 100 MET CA C 100 59.297 59.297 56.108 3.189 25411 6463 1 12 . 1 1 100 100 MET CB C 100 32.099 32.099 32.331 -0.232 25411 6464 1 12 . 1 1 100 100 MET H H 100 7.509 7.509 7.597 -0.088 25411 6465 1 12 . 1 1 101 101 ALA N N 101 119.458 119.458 121.241 -1.783 25411 6466 1 12 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.253 -0.043 25411 6467 1 12 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.106 0.646 25411 6468 1 12 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.767 -1.246 25411 6469 1 12 . 1 1 101 101 ALA H H 101 7.889 7.889 7.524 0.365 25411 6470 1 12 . 1 1 102 102 ALA N N 102 119.627 119.627 121.087 -1.460 25411 6471 1 12 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.186 -0.193 25411 6472 1 12 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.099 0.789 25411 6473 1 12 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.472 -1.128 25411 6474 1 12 . 1 1 102 102 ALA H H 102 7.563 7.563 8.335 -0.772 25411 6475 1 12 . 1 1 103 103 VAL N N 103 122.690 122.690 118.675 4.015 25411 6476 1 12 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.873 0.200 25411 6477 1 12 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.757 -4.072 25411 6478 1 12 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.020 2.201 25411 6479 1 12 . 1 1 103 103 VAL H H 103 8.828 8.828 7.924 0.904 25411 6480 1 12 . 1 1 104 104 ALA N N 104 128.041 128.041 119.285 8.756 25411 6481 1 12 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.413 -0.144 25411 6482 1 12 . 1 1 104 104 ALA CA C 104 52.141 52.141 53.838 -1.697 25411 6483 1 12 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.623 0.317 25411 6484 1 12 . 1 1 104 104 ALA H H 104 8.367 8.367 7.460 0.907 25411 6485 1 12 . 1 1 105 105 GLN N N 105 120.265 120.265 116.075 4.190 25411 6486 1 12 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.085 -0.154 25411 6487 1 12 . 1 1 105 105 GLN CB C 105 29.020 29.020 30.488 -1.468 25411 6488 1 12 . 1 1 105 105 GLN H H 105 8.356 8.356 7.932 0.424 25411 6489 1 12 . 1 1 106 106 THR HA H 106 4.320 4.320 4.419 -0.099 25411 6490 1 12 . 1 1 106 106 THR CA C 106 61.346 61.346 63.613 -2.267 25411 6491 1 12 . 1 1 106 106 THR CB C 106 69.293 69.293 68.987 0.306 25411 6492 1 12 . 1 1 107 107 GLU N N 107 122.706 122.706 120.992 1.714 25411 6493 1 12 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.176 0.006 25411 6494 1 12 . 1 1 107 107 GLU CA C 107 56.576 56.576 58.510 -1.934 25411 6495 1 12 . 1 1 107 107 GLU CB C 107 29.936 29.936 30.357 -0.421 25411 6496 1 12 . 1 1 107 107 GLU H H 107 8.404 8.404 7.859 0.545 25411 6497 1 12 . 1 1 108 108 GLU N N 108 122.034 122.034 116.739 5.295 25411 6498 1 12 . 1 1 108 108 GLU HA H 108 4.161 4.161 3.989 0.172 25411 6499 1 12 . 1 1 108 108 GLU CA C 108 56.649 56.649 58.625 -1.976 25411 6500 1 12 . 1 1 108 108 GLU CB C 108 29.676 29.676 28.747 0.929 25411 6501 1 12 . 1 1 108 108 GLU H H 108 7.341 7.341 8.049 -0.708 25411 6502 1 12 . 1 1 109 109 ILE N N 109 122.151 122.151 122.670 -0.519 25411 6503 1 12 . 1 1 109 109 ILE HA H 109 4.047 4.047 3.753 0.294 25411 6504 1 12 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.232 -0.667 25411 6505 1 12 . 1 1 109 109 ILE CB C 109 38.104 38.104 37.121 0.983 25411 6506 1 12 . 1 1 109 109 ILE H H 109 8.058 8.058 8.287 -0.229 25411 6507 1 12 . 1 1 110 110 LEU N N 110 122.427 122.427 114.677 7.750 25411 6508 1 12 . 1 1 110 110 LEU HA H 110 4.276 4.276 3.883 0.393 25411 6509 1 12 . 1 1 110 110 LEU CA C 110 55.151 55.151 55.751 -0.600 25411 6510 1 12 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.280 -8.025 25411 6511 1 12 . 1 1 110 110 LEU H H 110 8.194 8.194 8.006 0.188 25411 6512 1 12 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.311 -0.064 25411 6513 1 12 . 1 1 111 111 LYS CA C 111 56.137 56.137 55.545 0.592 25411 6514 1 12 . 1 1 111 111 LYS CB C 111 32.569 32.569 31.939 0.630 25411 6515 1 12 . 1 1 112 112 SER N N 112 116.453 116.453 120.805 -4.352 25411 6516 1 12 . 1 1 112 112 SER HA H 112 4.175 4.175 4.259 -0.084 25411 6517 1 12 . 1 1 112 112 SER CA C 112 58.311 58.311 61.143 -2.832 25411 6518 1 12 . 1 1 112 112 SER CB C 112 63.441 63.441 63.861 -0.420 25411 6519 1 12 . 1 1 112 112 SER H H 112 8.204 8.204 8.615 -0.411 25411 6520 1 12 . 1 1 113 113 ASN N N 113 119.747 119.747 117.472 2.275 25411 6521 1 12 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.805 -0.161 25411 6522 1 12 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.121 1.524 25411 6523 1 12 . 1 1 113 113 ASN CB C 113 38.646 38.646 38.774 -0.128 25411 6524 1 12 . 1 1 113 113 ASN H H 113 7.944 7.944 7.516 0.428 25411 6525 1 12 . 1 1 114 114 SER N N 114 115.433 115.433 116.408 -0.975 25411 6526 1 12 . 1 1 114 114 SER HA H 114 4.336 4.336 4.377 -0.041 25411 6527 1 12 . 1 1 114 114 SER CA C 114 58.711 58.711 59.484 -0.773 25411 6528 1 12 . 1 1 114 114 SER CB C 114 63.308 63.308 61.102 2.206 25411 6529 1 12 . 1 1 114 114 SER H H 114 7.962 7.962 8.656 -0.695 25411 6530 1 12 . 1 1 115 115 GLN N N 115 121.682 121.682 120.013 1.669 25411 6531 1 12 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.412 -0.138 25411 6532 1 12 . 1 1 115 115 GLN CA C 115 56.193 56.193 55.675 0.518 25411 6533 1 12 . 1 1 115 115 GLN CB C 115 28.807 28.807 30.484 -1.677 25411 6534 1 12 . 1 1 115 115 GLN H H 115 8.207 8.207 8.235 -0.028 25411 6535 1 12 . 1 1 116 116 THR N N 116 114.715 114.715 109.130 5.585 25411 6536 1 12 . 1 1 116 116 THR HA H 116 4.225 4.225 4.436 -0.211 25411 6537 1 12 . 1 1 116 116 THR CA C 116 62.109 62.109 61.337 0.772 25411 6538 1 12 . 1 1 116 116 THR CB C 116 69.336 69.336 71.196 -1.860 25411 6539 1 12 . 1 1 116 116 THR H H 116 8.062 8.062 7.712 0.350 25411 6540 1 12 . 1 1 117 117 ASP N N 117 122.602 122.602 122.524 0.078 25411 6541 1 12 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.323 0.245 25411 6542 1 12 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.709 -2.505 25411 6543 1 12 . 1 1 117 117 ASP CB C 117 40.665 40.665 39.962 0.703 25411 6544 1 12 . 1 1 117 117 ASP H H 117 8.065 8.065 8.807 -0.742 25411 6545 1 12 . 1 1 118 118 LEU N N 118 122.140 122.140 119.182 2.958 25411 6546 1 12 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.329 -0.174 25411 6547 1 12 . 1 1 118 118 LEU CA C 118 55.423 55.423 54.444 0.979 25411 6548 1 12 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.533 0.340 25411 6549 1 12 . 1 1 118 118 LEU H H 118 8.085 8.085 7.429 0.656 25411 6550 1 12 . 1 1 119 119 GLU N N 119 119.672 119.672 116.772 2.900 25411 6551 1 12 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.901 0.167 25411 6552 1 12 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.193 -0.628 25411 6553 1 12 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.641 1.931 25411 6554 1 12 . 1 1 119 119 GLU H H 119 8.143 8.143 7.735 0.408 25411 6555 1 12 . 1 1 120 120 HIS N N 120 118.301 118.301 116.691 1.610 25411 6556 1 12 . 1 1 120 120 HIS CA C 120 55.883 55.883 57.003 -1.120 25411 6557 1 12 . 1 1 120 120 HIS CB C 120 29.270 29.270 28.698 0.573 25411 6558 1 12 . 1 1 120 120 HIS H H 120 8.107 8.107 8.578 -0.471 25411 6559 1 12 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.789 -0.781 25411 6560 1 12 . 1 1 121 121 HIS CA C 121 55.166 55.166 56.362 -1.196 25411 6561 1 12 . 1 1 121 121 HIS CB C 121 28.759 28.759 30.462 -1.703 25411 6562 1 12 . 1 1 122 122 HIS N N 122 122.407 122.407 117.762 4.645 25411 6563 1 12 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.641 -0.423 25411 6564 1 12 . 1 1 122 122 HIS CA C 122 56.081 56.081 53.439 2.642 25411 6565 1 12 . 1 1 122 122 HIS CB C 122 29.371 29.371 32.997 -3.626 25411 6566 1 12 . 1 1 122 122 HIS H H 122 8.489 8.489 8.123 0.366 25411 6567 1 12 . 1 1 123 123 HIS N N 123 122.868 122.868 118.217 4.651 25411 6568 1 12 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.319 0.068 25411 6569 1 12 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.348 -1.038 25411 6570 1 12 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.317 0.185 25411 6571 1 12 . 1 1 123 123 HIS H H 123 8.596 8.596 8.363 0.233 25411 6572 1 12 . 1 1 124 124 HIS N N 124 123.734 123.734 122.501 1.233 25411 6573 1 12 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.880 -0.323 25411 6574 1 12 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.127 1.258 25411 6575 1 12 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.467 0.891 25411 6576 1 12 . 1 1 124 124 HIS H H 124 8.255 8.255 8.005 0.250 25411 6577 1 13 . 1 1 3 3 GLN N N 3 122.360 122.360 120.225 2.135 25411 6578 1 13 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.467 -0.579 25411 6579 1 13 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.543 2.199 25411 6580 1 13 . 1 1 3 3 GLN CB C 3 28.383 28.383 29.159 -0.776 25411 6581 1 13 . 1 1 3 3 GLN H H 3 9.398 9.398 8.358 1.040 25411 6582 1 13 . 1 1 4 4 GLU N N 4 119.689 119.689 120.238 -0.549 25411 6583 1 13 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.161 0.513 25411 6584 1 13 . 1 1 4 4 GLU CA C 4 57.807 57.807 58.173 -0.366 25411 6585 1 13 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.929 -0.229 25411 6586 1 13 . 1 1 4 4 GLU H H 4 7.464 7.464 8.840 -1.376 25411 6587 1 13 . 1 1 5 5 LEU N N 5 114.872 114.872 121.587 -6.715 25411 6588 1 13 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.105 -0.404 25411 6589 1 13 . 1 1 5 5 LEU CA C 5 57.738 57.738 57.821 -0.083 25411 6590 1 13 . 1 1 5 5 LEU CB C 5 40.815 40.815 42.000 -1.185 25411 6591 1 13 . 1 1 5 5 LEU H H 5 8.206 8.206 7.732 0.474 25411 6592 1 13 . 1 1 6 6 SER N N 6 109.762 109.762 113.257 -3.495 25411 6593 1 13 . 1 1 6 6 SER HA H 6 4.092 4.092 4.098 -0.006 25411 6594 1 13 . 1 1 6 6 SER CA C 6 60.415 60.415 61.944 -1.529 25411 6595 1 13 . 1 1 6 6 SER CB C 6 63.391 63.391 62.577 0.814 25411 6596 1 13 . 1 1 6 6 SER H H 6 8.253 8.253 8.257 -0.004 25411 6597 1 13 . 1 1 7 7 GLN N N 7 117.498 117.498 122.504 -5.006 25411 6598 1 13 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.185 -0.230 25411 6599 1 13 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.666 -0.241 25411 6600 1 13 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.540 0.199 25411 6601 1 13 . 1 1 7 7 GLN H H 7 8.673 8.673 8.010 0.663 25411 6602 1 13 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.339 -0.542 25411 6603 1 13 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.747 -0.692 25411 6604 1 13 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.193 -1.084 25411 6605 1 13 . 1 1 9 9 GLU N N 9 120.354 120.354 119.696 0.658 25411 6606 1 13 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.245 -0.286 25411 6607 1 13 . 1 1 9 9 GLU CA C 9 60.258 60.258 58.654 1.604 25411 6608 1 13 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.379 -0.152 25411 6609 1 13 . 1 1 9 9 GLU H H 9 7.690 7.690 8.512 -0.822 25411 6610 1 13 . 1 1 10 10 ARG N N 10 118.753 118.753 120.401 -1.648 25411 6611 1 13 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.042 0.057 25411 6612 1 13 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.585 -1.364 25411 6613 1 13 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.126 -1.031 25411 6614 1 13 . 1 1 10 10 ARG H H 10 8.928 8.928 8.185 0.743 25411 6615 1 13 . 1 1 11 11 TYR N N 11 121.288 121.288 119.112 2.176 25411 6616 1 13 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.270 -0.081 25411 6617 1 13 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.346 -1.110 25411 6618 1 13 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.586 -0.724 25411 6619 1 13 . 1 1 11 11 TYR H H 11 7.562 7.562 8.653 -1.091 25411 6620 1 13 . 1 1 12 12 VAL N N 12 119.304 119.304 119.707 -0.403 25411 6621 1 13 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.619 -0.536 25411 6622 1 13 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.661 0.174 25411 6623 1 13 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.741 -0.642 25411 6624 1 13 . 1 1 12 12 VAL H H 12 8.075 8.075 7.781 0.294 25411 6625 1 13 . 1 1 13 13 GLU N N 13 119.685 119.685 119.827 -0.142 25411 6626 1 13 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.021 0.134 25411 6627 1 13 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.371 0.054 25411 6628 1 13 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.239 -0.051 25411 6629 1 13 . 1 1 13 13 GLU H H 13 8.278 8.278 7.977 0.301 25411 6630 1 13 . 1 1 14 14 GLN N N 14 119.682 119.682 119.875 -0.193 25411 6631 1 13 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.041 -0.385 25411 6632 1 13 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.650 1.319 25411 6633 1 13 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.270 1.403 25411 6634 1 13 . 1 1 14 14 GLN H H 14 7.653 7.653 8.195 -0.542 25411 6635 1 13 . 1 1 15 15 LEU N N 15 121.000 121.000 118.524 2.476 25411 6636 1 13 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.091 -0.170 25411 6637 1 13 . 1 1 15 15 LEU CA C 15 58.455 58.455 56.901 1.554 25411 6638 1 13 . 1 1 15 15 LEU CB C 15 40.760 40.760 40.955 -0.195 25411 6639 1 13 . 1 1 15 15 LEU H H 15 8.402 8.402 8.638 -0.236 25411 6640 1 13 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.865 -0.169 25411 6641 1 13 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.446 -0.188 25411 6642 1 13 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.279 -0.144 25411 6643 1 13 . 1 1 17 17 GLN N N 17 117.558 117.558 118.326 -0.768 25411 6644 1 13 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.049 -0.162 25411 6645 1 13 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.657 -0.215 25411 6646 1 13 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.664 -0.619 25411 6647 1 13 . 1 1 17 17 GLN H H 17 7.849 7.849 7.983 -0.134 25411 6648 1 13 . 1 1 18 18 ALA N N 18 120.288 120.288 123.056 -2.768 25411 6649 1 13 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.144 -0.356 25411 6650 1 13 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.845 0.048 25411 6651 1 13 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.573 -1.177 25411 6652 1 13 . 1 1 18 18 ALA H H 18 8.504 8.504 7.934 0.570 25411 6653 1 13 . 1 1 19 19 LEU N N 19 116.974 116.974 118.420 -1.446 25411 6654 1 13 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.033 -0.274 25411 6655 1 13 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.985 0.567 25411 6656 1 13 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.727 -1.034 25411 6657 1 13 . 1 1 19 19 LEU H H 19 8.143 8.143 8.232 -0.089 25411 6658 1 13 . 1 1 20 20 LYS N N 20 117.776 117.776 121.447 -3.671 25411 6659 1 13 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.007 -0.052 25411 6660 1 13 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.718 -0.174 25411 6661 1 13 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.419 -1.933 25411 6662 1 13 . 1 1 20 20 LYS H H 20 8.340 8.340 8.193 0.147 25411 6663 1 13 . 1 1 21 21 THR N N 21 116.373 116.373 111.907 4.466 25411 6664 1 13 . 1 1 21 21 THR HA H 21 4.107 4.107 4.253 -0.146 25411 6665 1 13 . 1 1 21 21 THR CA C 21 64.611 64.611 64.407 0.204 25411 6666 1 13 . 1 1 21 21 THR CB C 21 68.811 68.811 68.422 0.388 25411 6667 1 13 . 1 1 21 21 THR H H 21 7.302 7.302 7.806 -0.504 25411 6668 1 13 . 1 1 22 22 ARG N N 22 118.647 118.647 119.867 -1.220 25411 6669 1 13 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.457 -0.095 25411 6670 1 13 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.889 -1.824 25411 6671 1 13 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.039 -1.511 25411 6672 1 13 . 1 1 22 22 ARG H H 22 7.290 7.290 7.855 -0.565 25411 6673 1 13 . 1 1 23 23 GLY N N 23 108.637 108.637 107.588 1.049 25411 6674 1 13 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.932 0.180 25411 6675 1 13 . 1 1 23 23 GLY H H 23 7.881 7.881 7.702 0.179 25411 6676 1 13 . 1 1 24 24 VAL N N 24 117.390 117.390 120.293 -2.903 25411 6677 1 13 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.860 0.154 25411 6678 1 13 . 1 1 24 24 VAL CA C 24 61.668 61.668 63.797 -2.129 25411 6679 1 13 . 1 1 24 24 VAL CB C 24 32.372 32.372 31.169 1.203 25411 6680 1 13 . 1 1 24 24 VAL H H 24 7.333 7.333 7.770 -0.437 25411 6681 1 13 . 1 1 25 25 LYS N N 25 127.322 127.322 115.079 12.243 25411 6682 1 13 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.851 0.481 25411 6683 1 13 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.418 -1.656 25411 6684 1 13 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.577 0.184 25411 6685 1 13 . 1 1 25 25 LYS H H 25 8.722 8.722 7.875 0.847 25411 6686 1 13 . 1 1 26 26 VAL N N 26 120.568 120.568 120.267 0.301 25411 6687 1 13 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.268 -0.190 25411 6688 1 13 . 1 1 26 26 VAL CA C 26 60.665 60.665 60.929 -0.264 25411 6689 1 13 . 1 1 26 26 VAL CB C 26 33.647 33.647 32.965 0.682 25411 6690 1 13 . 1 1 26 26 VAL H H 26 7.119 7.119 8.203 -1.084 25411 6691 1 13 . 1 1 27 27 LYS N N 27 125.675 125.675 124.050 1.625 25411 6692 1 13 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.330 -0.004 25411 6693 1 13 . 1 1 27 27 LYS CA C 27 55.411 55.411 54.828 0.583 25411 6694 1 13 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.422 -2.463 25411 6695 1 13 . 1 1 27 27 LYS H H 27 8.570 8.570 8.044 0.526 25411 6696 1 13 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.539 -0.522 25411 6697 1 13 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.578 -2.167 25411 6698 1 13 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.718 2.122 25411 6699 1 13 . 1 1 29 29 ALA N N 29 120.743 120.743 128.429 -7.686 25411 6700 1 13 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.129 -0.461 25411 6701 1 13 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.001 -0.323 25411 6702 1 13 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.847 -0.847 25411 6703 1 13 . 1 1 29 29 ALA H H 29 8.323 8.323 8.741 -0.418 25411 6704 1 13 . 1 1 30 30 ASP N N 30 117.202 117.202 118.476 -1.274 25411 6705 1 13 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.422 -0.141 25411 6706 1 13 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.379 0.174 25411 6707 1 13 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.445 0.362 25411 6708 1 13 . 1 1 30 30 ASP H H 30 6.872 6.872 8.882 -2.010 25411 6709 1 13 . 1 1 31 31 LEU N N 31 122.273 122.273 118.981 3.292 25411 6710 1 13 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.309 -0.763 25411 6711 1 13 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.628 0.097 25411 6712 1 13 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.224 -1.566 25411 6713 1 13 . 1 1 31 31 LEU H H 31 7.433 7.433 7.606 -0.173 25411 6714 1 13 . 1 1 32 32 LEU N N 32 123.376 123.376 118.544 4.832 25411 6715 1 13 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.224 -0.609 25411 6716 1 13 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.825 0.271 25411 6717 1 13 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.097 -0.555 25411 6718 1 13 . 1 1 32 32 LEU H H 32 8.727 8.727 7.875 0.852 25411 6719 1 13 . 1 1 33 33 LYS N N 33 118.078 118.078 120.358 -2.280 25411 6720 1 13 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.184 0.029 25411 6721 1 13 . 1 1 33 33 LYS CA C 33 59.098 59.098 58.700 0.398 25411 6722 1 13 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.017 -0.127 25411 6723 1 13 . 1 1 33 33 LYS H H 33 7.149 7.149 7.792 -0.643 25411 6724 1 13 . 1 1 34 34 PHE N N 34 117.398 117.398 121.824 -4.426 25411 6725 1 13 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.968 -5.273 25411 6726 1 13 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.105 2.114 25411 6727 1 13 . 1 1 34 34 PHE H H 34 7.633 7.633 8.297 -0.664 25411 6728 1 13 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.106 -0.313 25411 6729 1 13 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.928 -0.336 25411 6730 1 13 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.351 -2.337 25411 6731 1 13 . 1 1 36 36 ASP N N 36 120.136 120.136 119.588 0.548 25411 6732 1 13 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.455 -0.359 25411 6733 1 13 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.642 -0.701 25411 6734 1 13 . 1 1 36 36 ASP CB C 36 39.104 39.104 41.219 -2.115 25411 6735 1 13 . 1 1 36 36 ASP H H 36 8.330 8.330 8.496 -0.166 25411 6736 1 13 . 1 1 37 37 PHE N N 37 121.883 121.883 120.781 1.102 25411 6737 1 13 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.309 -0.051 25411 6738 1 13 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.438 -1.740 25411 6739 1 13 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.145 1.040 25411 6740 1 13 . 1 1 37 37 PHE H H 37 7.794 7.794 8.330 -0.536 25411 6741 1 13 . 1 1 38 38 VAL N N 38 118.525 118.525 118.597 -0.072 25411 6742 1 13 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.360 -0.321 25411 6743 1 13 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.093 0.789 25411 6744 1 13 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.229 -0.541 25411 6745 1 13 . 1 1 38 38 VAL H H 38 8.262 8.262 7.673 0.589 25411 6746 1 13 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.912 -0.456 25411 6747 1 13 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.392 -0.338 25411 6748 1 13 . 1 1 39 39 LYS CB C 39 31.696 31.696 32.037 -0.341 25411 6749 1 13 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.636 -0.191 25411 6750 1 13 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.819 0.166 25411 6751 1 13 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.641 -0.949 25411 6752 1 13 . 1 1 41 41 ILE N N 41 120.641 120.641 120.106 0.535 25411 6753 1 13 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.825 0.200 25411 6754 1 13 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.704 -3.051 25411 6755 1 13 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.480 -0.416 25411 6756 1 13 . 1 1 41 41 ILE H H 41 8.788 8.788 8.051 0.737 25411 6757 1 13 . 1 1 42 42 CYS N N 42 117.896 117.896 114.843 3.053 25411 6758 1 13 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.698 0.474 25411 6759 1 13 . 1 1 42 42 CYS CB C 42 28.324 28.324 27.819 0.505 25411 6760 1 13 . 1 1 42 42 CYS H H 42 7.180 7.180 7.373 -0.193 25411 6761 1 13 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.259 0.056 25411 6762 1 13 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.921 0.082 25411 6763 1 13 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.619 -0.904 25411 6764 1 13 . 1 1 44 44 TRP N N 44 113.823 113.823 119.738 -5.915 25411 6765 1 13 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.548 -0.243 25411 6766 1 13 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.938 -2.540 25411 6767 1 13 . 1 1 44 44 TRP CB C 44 27.811 27.811 30.409 -2.598 25411 6768 1 13 . 1 1 44 44 TRP H H 44 6.591 6.591 8.050 -1.459 25411 6769 1 13 . 1 1 45 45 PHE N N 45 123.100 123.100 112.657 10.443 25411 6770 1 13 . 1 1 45 45 PHE HA H 45 4.001 4.001 4.859 -0.858 25411 6771 1 13 . 1 1 45 45 PHE CA C 45 62.809 62.809 53.978 8.831 25411 6772 1 13 . 1 1 45 45 PHE CB C 45 34.935 34.935 37.248 -2.312 25411 6773 1 13 . 1 1 45 45 PHE H H 45 7.239 7.239 7.907 -0.668 25411 6774 1 13 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.259 -0.247 25411 6775 1 13 . 1 1 46 46 PRO CA C 46 64.531 64.531 63.826 0.705 25411 6776 1 13 . 1 1 46 46 PRO CB C 46 30.487 30.487 32.002 -1.515 25411 6777 1 13 . 1 1 47 47 GLN N N 47 114.502 114.502 118.219 -3.717 25411 6778 1 13 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.047 -0.110 25411 6779 1 13 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.083 0.321 25411 6780 1 13 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.306 1.014 25411 6781 1 13 . 1 1 47 47 GLN H H 47 6.518 6.518 8.396 -1.878 25411 6782 1 13 . 1 1 48 48 GLU N N 48 117.358 117.358 119.289 -1.931 25411 6783 1 13 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.223 -0.185 25411 6784 1 13 . 1 1 48 48 GLU CA C 48 58.172 58.172 57.065 1.107 25411 6785 1 13 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.259 -1.306 25411 6786 1 13 . 1 1 48 48 GLU H H 48 7.318 7.318 7.730 -0.412 25411 6787 1 13 . 1 1 49 49 GLY N N 49 105.534 105.534 107.470 -1.936 25411 6788 1 13 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.338 1.965 25411 6789 1 13 . 1 1 49 49 GLY H H 49 7.296 7.296 7.847 -0.551 25411 6790 1 13 . 1 1 50 50 THR N N 50 114.069 114.069 113.156 0.913 25411 6791 1 13 . 1 1 50 50 THR HA H 50 4.234 4.234 4.491 -0.257 25411 6792 1 13 . 1 1 50 50 THR CA C 50 61.683 61.683 60.260 1.423 25411 6793 1 13 . 1 1 50 50 THR CB C 50 70.718 70.718 70.614 0.104 25411 6794 1 13 . 1 1 50 50 THR H H 50 7.597 7.597 7.678 -0.081 25411 6795 1 13 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.239 -0.114 25411 6796 1 13 . 1 1 51 51 ILE CA C 51 59.870 59.870 60.752 -0.882 25411 6797 1 13 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.010 -3.722 25411 6798 1 13 . 1 1 52 52 ASP N N 52 121.791 121.791 126.768 -4.977 25411 6799 1 13 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.822 -0.199 25411 6800 1 13 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.695 -0.963 25411 6801 1 13 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.358 -1.897 25411 6802 1 13 . 1 1 52 52 ASP H H 52 7.168 7.168 8.314 -1.146 25411 6803 1 13 . 1 1 53 53 ILE N N 53 119.537 119.537 119.351 0.186 25411 6804 1 13 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.673 -0.538 25411 6805 1 13 . 1 1 53 53 ILE CA C 53 61.796 61.796 61.920 -0.124 25411 6806 1 13 . 1 1 53 53 ILE CB C 53 37.815 37.815 40.105 -2.291 25411 6807 1 13 . 1 1 53 53 ILE H H 53 8.336 8.336 8.498 -0.162 25411 6808 1 13 . 1 1 54 54 LYS N N 54 123.592 123.592 121.859 1.733 25411 6809 1 13 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.105 -0.000 25411 6810 1 13 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.283 -0.311 25411 6811 1 13 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.365 -0.617 25411 6812 1 13 . 1 1 54 54 LYS H H 54 8.104 8.104 8.165 -0.061 25411 6813 1 13 . 1 1 55 55 ARG N N 55 120.511 120.511 117.960 2.551 25411 6814 1 13 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.079 0.222 25411 6815 1 13 . 1 1 55 55 ARG CA C 55 59.903 59.903 58.901 1.002 25411 6816 1 13 . 1 1 55 55 ARG CB C 55 30.056 30.056 29.649 0.407 25411 6817 1 13 . 1 1 55 55 ARG H H 55 9.196 9.196 7.923 1.274 25411 6818 1 13 . 1 1 56 56 TRP N N 56 120.681 120.681 123.419 -2.738 25411 6819 1 13 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.358 0.345 25411 6820 1 13 . 1 1 56 56 TRP CA C 56 59.406 59.406 59.445 -0.039 25411 6821 1 13 . 1 1 56 56 TRP CB C 56 30.014 30.014 28.789 1.225 25411 6822 1 13 . 1 1 56 56 TRP H H 56 8.899 8.899 7.908 0.991 25411 6823 1 13 . 1 1 57 57 ARG N N 57 122.115 122.115 120.427 1.688 25411 6824 1 13 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.214 1.193 25411 6825 1 13 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.316 0.711 25411 6826 1 13 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.573 0.213 25411 6827 1 13 . 1 1 57 57 ARG H H 57 9.210 9.210 7.921 1.289 25411 6828 1 13 . 1 1 58 58 ARG N N 58 120.918 120.918 119.303 1.615 25411 6829 1 13 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.342 0.503 25411 6830 1 13 . 1 1 58 58 ARG CB C 58 29.729 29.729 29.971 -0.242 25411 6831 1 13 . 1 1 58 58 ARG H H 58 7.640 7.640 7.556 0.084 25411 6832 1 13 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.794 -0.030 25411 6833 1 13 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.172 0.828 25411 6834 1 13 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.195 -0.363 25411 6835 1 13 . 1 1 59 59 VAL H H 59 7.916 7.916 7.645 0.271 25411 6836 1 13 . 1 1 60 60 GLY N N 60 106.856 106.856 108.137 -1.281 25411 6837 1 13 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.470 -1.389 25411 6838 1 13 . 1 1 60 60 GLY H H 60 7.623 7.623 8.607 -0.984 25411 6839 1 13 . 1 1 61 61 ASP N N 61 123.308 123.308 122.373 0.935 25411 6840 1 13 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.758 -0.533 25411 6841 1 13 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.876 -0.076 25411 6842 1 13 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.564 -1.080 25411 6843 1 13 . 1 1 61 61 ASP H H 61 8.203 8.203 8.217 -0.014 25411 6844 1 13 . 1 1 62 62 CYS N N 62 120.841 120.841 118.708 2.133 25411 6845 1 13 . 1 1 62 62 CYS HA H 62 4.238 4.238 3.994 0.244 25411 6846 1 13 . 1 1 62 62 CYS CA C 62 62.950 62.950 63.970 -1.020 25411 6847 1 13 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.730 -0.227 25411 6848 1 13 . 1 1 62 62 CYS H H 62 7.795 7.795 7.520 0.275 25411 6849 1 13 . 1 1 63 63 PHE N N 63 119.763 119.763 118.589 1.174 25411 6850 1 13 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.339 -0.061 25411 6851 1 13 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.450 -2.792 25411 6852 1 13 . 1 1 63 63 PHE CB C 63 36.990 36.990 38.223 -1.233 25411 6853 1 13 . 1 1 63 63 PHE H H 63 8.647 8.647 7.705 0.942 25411 6854 1 13 . 1 1 64 64 GLN N N 64 118.578 118.578 120.016 -1.438 25411 6855 1 13 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.079 0.229 25411 6856 1 13 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.353 0.980 25411 6857 1 13 . 1 1 64 64 GLN CB C 64 28.579 28.579 27.341 1.238 25411 6858 1 13 . 1 1 64 64 GLN H H 64 8.261 8.261 8.249 0.012 25411 6859 1 13 . 1 1 65 65 ASP N N 65 119.534 119.534 121.279 -1.745 25411 6860 1 13 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.375 0.109 25411 6861 1 13 . 1 1 65 65 ASP CA C 65 57.329 57.329 56.929 0.400 25411 6862 1 13 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.897 -1.226 25411 6863 1 13 . 1 1 65 65 ASP H H 65 8.338 8.338 8.365 -0.027 25411 6864 1 13 . 1 1 66 66 TYR N N 66 123.600 123.600 122.199 1.401 25411 6865 1 13 . 1 1 66 66 TYR HA H 66 4.502 4.502 4.126 0.376 25411 6866 1 13 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.371 -1.140 25411 6867 1 13 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.581 -0.149 25411 6868 1 13 . 1 1 66 66 TYR H H 66 7.804 7.804 8.525 -0.721 25411 6869 1 13 . 1 1 67 67 TYR N N 67 122.825 122.825 119.058 3.767 25411 6870 1 13 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.972 0.025 25411 6871 1 13 . 1 1 67 67 TYR CA C 67 61.903 61.903 60.862 1.041 25411 6872 1 13 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.364 0.582 25411 6873 1 13 . 1 1 67 67 TYR H H 67 9.100 9.100 8.415 0.685 25411 6874 1 13 . 1 1 68 68 ASN N N 68 118.826 118.826 116.623 2.203 25411 6875 1 13 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.154 0.129 25411 6876 1 13 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.526 -0.094 25411 6877 1 13 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.361 -0.485 25411 6878 1 13 . 1 1 68 68 ASN H H 68 8.853 8.853 8.413 0.440 25411 6879 1 13 . 1 1 69 69 THR N N 69 114.242 114.242 113.747 0.495 25411 6880 1 13 . 1 1 69 69 THR HA H 69 3.837 3.837 3.867 -0.030 25411 6881 1 13 . 1 1 69 69 THR CA C 69 65.328 65.328 65.640 -0.312 25411 6882 1 13 . 1 1 69 69 THR CB C 69 69.249 69.249 68.485 0.764 25411 6883 1 13 . 1 1 69 69 THR H H 69 7.847 7.847 7.904 -0.057 25411 6884 1 13 . 1 1 70 70 PHE N N 70 117.970 117.970 118.251 -0.281 25411 6885 1 13 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.639 -0.075 25411 6886 1 13 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.013 0.229 25411 6887 1 13 . 1 1 70 70 PHE CB C 70 41.074 41.074 39.750 1.324 25411 6888 1 13 . 1 1 70 70 PHE H H 70 8.489 8.489 7.384 1.105 25411 6889 1 13 . 1 1 71 71 GLY N N 71 109.516 109.516 105.618 3.898 25411 6890 1 13 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.391 0.641 25411 6891 1 13 . 1 1 71 71 GLY H H 71 7.968 7.968 8.205 -0.237 25411 6892 1 13 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.407 0.304 25411 6893 1 13 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.531 0.766 25411 6894 1 13 . 1 1 72 72 PRO CB C 72 31.744 31.744 32.318 -0.574 25411 6895 1 13 . 1 1 73 73 GLU N N 73 117.720 117.720 123.164 -5.444 25411 6896 1 13 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.180 -0.281 25411 6897 1 13 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.812 -0.076 25411 6898 1 13 . 1 1 73 73 GLU CB C 73 28.863 28.863 30.076 -1.213 25411 6899 1 13 . 1 1 73 73 GLU H H 73 8.586 8.586 8.898 -0.312 25411 6900 1 13 . 1 1 74 74 LYS N N 74 116.974 116.974 117.689 -0.715 25411 6901 1 13 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.478 -0.089 25411 6902 1 13 . 1 1 74 74 LYS CA C 74 55.185 55.185 56.532 -1.347 25411 6903 1 13 . 1 1 74 74 LYS CB C 74 34.087 34.087 34.173 -0.086 25411 6904 1 13 . 1 1 74 74 LYS H H 74 7.505 7.505 8.209 -0.704 25411 6905 1 13 . 1 1 75 75 VAL N N 75 117.309 117.309 121.648 -4.339 25411 6906 1 13 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.487 -0.174 25411 6907 1 13 . 1 1 75 75 VAL CA C 75 62.045 62.045 59.725 2.320 25411 6908 1 13 . 1 1 75 75 VAL CB C 75 31.984 31.984 33.064 -1.080 25411 6909 1 13 . 1 1 75 75 VAL H H 75 7.402 7.402 7.711 -0.309 25411 6910 1 13 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.726 -0.164 25411 6911 1 13 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.522 -0.834 25411 6912 1 13 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.779 -1.048 25411 6913 1 13 . 1 1 77 77 VAL N N 77 120.870 120.870 122.637 -1.767 25411 6914 1 13 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.222 -0.394 25411 6915 1 13 . 1 1 77 77 VAL CA C 77 65.838 65.838 63.985 1.853 25411 6916 1 13 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.996 -0.609 25411 6917 1 13 . 1 1 77 77 VAL H H 77 8.473 8.473 8.778 -0.305 25411 6918 1 13 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.863 -0.011 25411 6919 1 13 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.294 -3.169 25411 6920 1 13 . 1 1 78 78 ILE CB C 78 37.135 37.135 37.018 0.117 25411 6921 1 13 . 1 1 78 78 ILE H H 78 8.388 8.388 8.216 0.172 25411 6922 1 13 . 1 1 79 79 ALA N N 79 123.960 123.960 123.182 0.778 25411 6923 1 13 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.316 -0.426 25411 6924 1 13 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.392 0.497 25411 6925 1 13 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.390 -0.767 25411 6926 1 13 . 1 1 79 79 ALA H H 79 7.953 7.953 7.727 0.226 25411 6927 1 13 . 1 1 80 80 PHE N N 80 114.330 114.330 114.585 -0.255 25411 6928 1 13 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.500 -0.069 25411 6929 1 13 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.845 1.467 25411 6930 1 13 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.307 -1.651 25411 6931 1 13 . 1 1 80 80 PHE H H 80 7.499 7.499 8.049 -0.550 25411 6932 1 13 . 1 1 81 81 SER N N 81 115.971 115.971 114.482 1.489 25411 6933 1 13 . 1 1 81 81 SER HA H 81 4.206 4.206 4.361 -0.155 25411 6934 1 13 . 1 1 81 81 SER CA C 81 58.432 58.432 59.547 -1.115 25411 6935 1 13 . 1 1 81 81 SER CB C 81 63.575 63.575 63.724 -0.149 25411 6936 1 13 . 1 1 81 81 SER H H 81 8.225 8.225 7.611 0.614 25411 6937 1 13 . 1 1 82 82 TYR N N 82 121.997 121.997 122.347 -0.350 25411 6938 1 13 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.144 0.303 25411 6939 1 13 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.006 -4.121 25411 6940 1 13 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.101 -0.263 25411 6941 1 13 . 1 1 82 82 TYR H H 82 8.378 8.378 7.582 0.796 25411 6942 1 13 . 1 1 83 83 TRP N N 83 120.268 120.268 118.115 2.153 25411 6943 1 13 . 1 1 83 83 TRP CA C 83 57.393 57.393 59.609 -2.216 25411 6944 1 13 . 1 1 83 83 TRP CB C 83 28.894 28.894 28.623 0.271 25411 6945 1 13 . 1 1 83 83 TRP H H 83 8.546 8.546 8.093 0.453 25411 6946 1 13 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.538 -0.318 25411 6947 1 13 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.420 0.209 25411 6948 1 13 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.571 1.494 25411 6949 1 13 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.205 -0.159 25411 6950 1 13 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.526 0.616 25411 6951 1 13 . 1 1 85 85 LEU CB C 85 41.692 41.692 42.056 -0.364 25411 6952 1 13 . 1 1 86 86 ILE N N 86 117.000 117.000 119.826 -2.826 25411 6953 1 13 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.604 -0.158 25411 6954 1 13 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.806 -2.523 25411 6955 1 13 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.300 -1.888 25411 6956 1 13 . 1 1 86 86 ILE H H 86 7.882 7.882 7.865 0.017 25411 6957 1 13 . 1 1 87 87 LYS HA H 87 3.226 3.226 4.137 -0.911 25411 6958 1 13 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.378 0.618 25411 6959 1 13 . 1 1 87 87 LYS CB C 87 31.050 31.050 32.342 -1.292 25411 6960 1 13 . 1 1 88 88 GLU N N 88 116.404 116.404 118.434 -2.030 25411 6961 1 13 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.461 -0.614 25411 6962 1 13 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.588 0.323 25411 6963 1 13 . 1 1 88 88 GLU CB C 88 28.969 28.969 28.946 0.023 25411 6964 1 13 . 1 1 88 88 GLU H H 88 7.689 7.689 7.967 -0.278 25411 6965 1 13 . 1 1 89 89 LEU N N 89 118.193 118.193 121.259 -3.066 25411 6966 1 13 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.200 -0.311 25411 6967 1 13 . 1 1 89 89 LEU CA C 89 57.963 57.963 57.011 0.952 25411 6968 1 13 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.153 -0.853 25411 6969 1 13 . 1 1 89 89 LEU H H 89 7.415 7.415 7.724 -0.309 25411 6970 1 13 . 1 1 90 90 ILE N N 90 115.471 115.471 120.129 -4.658 25411 6971 1 13 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.749 -0.331 25411 6972 1 13 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.117 0.791 25411 6973 1 13 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.726 -0.132 25411 6974 1 13 . 1 1 90 90 ILE H H 90 7.718 7.718 7.629 0.089 25411 6975 1 13 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.532 -0.812 25411 6976 1 13 . 1 1 91 91 ASP CA C 91 57.664 57.664 57.078 0.587 25411 6977 1 13 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.066 0.466 25411 6978 1 13 . 1 1 92 92 LYS N N 92 119.253 119.253 119.096 0.157 25411 6979 1 13 . 1 1 92 92 LYS CA C 92 58.897 58.897 57.283 1.614 25411 6980 1 13 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.182 -0.194 25411 6981 1 13 . 1 1 92 92 LYS H H 92 7.869 7.869 7.577 0.292 25411 6982 1 13 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.974 0.557 25411 6983 1 13 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.862 -3.604 25411 6984 1 13 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.007 0.162 25411 6985 1 13 . 1 1 94 94 GLU N N 94 116.729 116.729 120.705 -3.976 25411 6986 1 13 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.104 0.029 25411 6987 1 13 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.016 0.303 25411 6988 1 13 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.309 -1.934 25411 6989 1 13 . 1 1 94 94 GLU H H 94 8.393 8.393 7.965 0.428 25411 6990 1 13 . 1 1 95 95 VAL N N 95 121.696 121.696 117.609 4.087 25411 6991 1 13 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.838 0.644 25411 6992 1 13 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.705 3.016 25411 6993 1 13 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.482 1.412 25411 6994 1 13 . 1 1 95 95 VAL H H 95 7.923 7.923 7.782 0.141 25411 6995 1 13 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.643 -0.285 25411 6996 1 13 . 1 1 97 97 PRO CA C 97 62.607 62.607 61.939 0.668 25411 6997 1 13 . 1 1 97 97 PRO CB C 97 31.874 31.874 33.095 -1.221 25411 6998 1 13 . 1 1 98 98 GLN N N 98 117.731 117.731 118.719 -0.988 25411 6999 1 13 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.047 -0.122 25411 7000 1 13 . 1 1 98 98 GLN CA C 98 58.608 58.608 59.044 -0.436 25411 7001 1 13 . 1 1 98 98 GLN CB C 98 28.521 28.521 28.249 0.272 25411 7002 1 13 . 1 1 98 98 GLN H H 98 8.359 8.359 8.599 -0.240 25411 7003 1 13 . 1 1 99 99 VAL N N 99 121.326 121.326 118.896 2.430 25411 7004 1 13 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.821 -0.401 25411 7005 1 13 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.675 0.729 25411 7006 1 13 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.052 0.567 25411 7007 1 13 . 1 1 99 99 VAL H H 99 7.901 7.901 8.297 -0.396 25411 7008 1 13 . 1 1 100 100 MET N N 100 120.447 120.447 116.153 4.294 25411 7009 1 13 . 1 1 100 100 MET HA H 100 3.812 3.812 4.446 -0.634 25411 7010 1 13 . 1 1 100 100 MET CA C 100 59.297 59.297 56.478 2.819 25411 7011 1 13 . 1 1 100 100 MET CB C 100 32.099 32.099 32.206 -0.107 25411 7012 1 13 . 1 1 100 100 MET H H 100 7.509 7.509 7.628 -0.119 25411 7013 1 13 . 1 1 101 101 ALA N N 101 119.458 119.458 121.663 -2.205 25411 7014 1 13 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.239 -0.029 25411 7015 1 13 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.425 0.327 25411 7016 1 13 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.560 -1.039 25411 7017 1 13 . 1 1 101 101 ALA H H 101 7.889 7.889 7.837 0.052 25411 7018 1 13 . 1 1 102 102 ALA N N 102 119.627 119.627 121.133 -1.506 25411 7019 1 13 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.479 -0.486 25411 7020 1 13 . 1 1 102 102 ALA CA C 102 54.888 54.888 53.985 0.903 25411 7021 1 13 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.476 -1.132 25411 7022 1 13 . 1 1 102 102 ALA H H 102 7.563 7.563 8.353 -0.790 25411 7023 1 13 . 1 1 103 103 VAL N N 103 122.690 122.690 118.605 4.085 25411 7024 1 13 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.927 0.146 25411 7025 1 13 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.391 -3.706 25411 7026 1 13 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.794 1.428 25411 7027 1 13 . 1 1 103 103 VAL H H 103 8.828 8.828 8.000 0.829 25411 7028 1 13 . 1 1 104 104 ALA N N 104 128.041 128.041 118.318 9.723 25411 7029 1 13 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.234 0.035 25411 7030 1 13 . 1 1 104 104 ALA CA C 104 52.141 52.141 53.602 -1.461 25411 7031 1 13 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.027 0.913 25411 7032 1 13 . 1 1 104 104 ALA H H 104 8.367 8.367 7.506 0.861 25411 7033 1 13 . 1 1 105 105 GLN N N 105 120.265 120.265 115.673 4.592 25411 7034 1 13 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.533 0.398 25411 7035 1 13 . 1 1 105 105 GLN CB C 105 29.020 29.020 31.259 -2.239 25411 7036 1 13 . 1 1 105 105 GLN H H 105 8.356 8.356 7.605 0.751 25411 7037 1 13 . 1 1 106 106 THR HA H 106 4.320 4.320 4.163 0.157 25411 7038 1 13 . 1 1 106 106 THR CA C 106 61.346 61.346 65.710 -4.364 25411 7039 1 13 . 1 1 106 106 THR CB C 106 69.293 69.293 69.023 0.270 25411 7040 1 13 . 1 1 107 107 GLU N N 107 122.706 122.706 119.531 3.175 25411 7041 1 13 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.543 -0.361 25411 7042 1 13 . 1 1 107 107 GLU CA C 107 56.576 56.576 56.845 -0.269 25411 7043 1 13 . 1 1 107 107 GLU CB C 107 29.936 29.936 32.664 -2.728 25411 7044 1 13 . 1 1 107 107 GLU H H 107 8.404 8.404 7.604 0.800 25411 7045 1 13 . 1 1 108 108 GLU N N 108 122.034 122.034 117.508 4.526 25411 7046 1 13 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.012 0.149 25411 7047 1 13 . 1 1 108 108 GLU CA C 108 56.649 56.649 56.901 -0.252 25411 7048 1 13 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.492 0.184 25411 7049 1 13 . 1 1 108 108 GLU H H 108 7.341 7.341 7.828 -0.487 25411 7050 1 13 . 1 1 109 109 ILE N N 109 122.151 122.151 116.434 5.717 25411 7051 1 13 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.157 -0.110 25411 7052 1 13 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.993 -1.428 25411 7053 1 13 . 1 1 109 109 ILE CB C 109 38.104 38.104 37.687 0.417 25411 7054 1 13 . 1 1 109 109 ILE H H 109 8.058 8.058 8.765 -0.707 25411 7055 1 13 . 1 1 110 110 LEU N N 110 122.427 122.427 122.317 0.110 25411 7056 1 13 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.132 0.144 25411 7057 1 13 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.973 -1.822 25411 7058 1 13 . 1 1 110 110 LEU CB C 110 32.255 32.255 41.759 -9.504 25411 7059 1 13 . 1 1 110 110 LEU H H 110 8.194 8.194 8.080 0.114 25411 7060 1 13 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.148 0.099 25411 7061 1 13 . 1 1 111 111 LYS CA C 111 56.137 56.137 57.519 -1.382 25411 7062 1 13 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.352 0.217 25411 7063 1 13 . 1 1 112 112 SER N N 112 116.453 116.453 114.316 2.137 25411 7064 1 13 . 1 1 112 112 SER HA H 112 4.175 4.175 4.126 0.049 25411 7065 1 13 . 1 1 112 112 SER CA C 112 58.311 58.311 59.441 -1.130 25411 7066 1 13 . 1 1 112 112 SER CB C 112 63.441 63.441 61.659 1.782 25411 7067 1 13 . 1 1 112 112 SER H H 112 8.204 8.204 7.880 0.324 25411 7068 1 13 . 1 1 113 113 ASN N N 113 119.747 119.747 117.058 2.689 25411 7069 1 13 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.494 0.150 25411 7070 1 13 . 1 1 113 113 ASN CA C 113 53.645 53.645 54.065 -0.420 25411 7071 1 13 . 1 1 113 113 ASN CB C 113 38.646 38.646 38.693 -0.047 25411 7072 1 13 . 1 1 113 113 ASN H H 113 7.944 7.944 8.287 -0.343 25411 7073 1 13 . 1 1 114 114 SER N N 114 115.433 115.433 119.551 -4.118 25411 7074 1 13 . 1 1 114 114 SER HA H 114 4.336 4.336 4.463 -0.127 25411 7075 1 13 . 1 1 114 114 SER CA C 114 58.711 58.711 59.797 -1.086 25411 7076 1 13 . 1 1 114 114 SER CB C 114 63.308 63.308 61.786 1.522 25411 7077 1 13 . 1 1 114 114 SER H H 114 7.962 7.962 8.437 -0.475 25411 7078 1 13 . 1 1 115 115 GLN N N 115 121.682 121.682 123.105 -1.423 25411 7079 1 13 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.788 -0.514 25411 7080 1 13 . 1 1 115 115 GLN CA C 115 56.193 56.193 54.747 1.446 25411 7081 1 13 . 1 1 115 115 GLN CB C 115 28.807 28.807 31.745 -2.938 25411 7082 1 13 . 1 1 115 115 GLN H H 115 8.207 8.207 8.399 -0.192 25411 7083 1 13 . 1 1 116 116 THR N N 116 114.715 114.715 113.608 1.107 25411 7084 1 13 . 1 1 116 116 THR HA H 116 4.225 4.225 4.761 -0.536 25411 7085 1 13 . 1 1 116 116 THR CA C 116 62.109 62.109 61.095 1.014 25411 7086 1 13 . 1 1 116 116 THR CB C 116 69.336 69.336 72.221 -2.885 25411 7087 1 13 . 1 1 116 116 THR H H 116 8.062 8.062 8.248 -0.186 25411 7088 1 13 . 1 1 117 117 ASP N N 117 122.602 122.602 121.537 1.065 25411 7089 1 13 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.451 0.117 25411 7090 1 13 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.181 -1.976 25411 7091 1 13 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.657 0.008 25411 7092 1 13 . 1 1 117 117 ASP H H 117 8.065 8.065 8.785 -0.720 25411 7093 1 13 . 1 1 118 118 LEU N N 118 122.140 122.140 121.961 0.179 25411 7094 1 13 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.389 -0.234 25411 7095 1 13 . 1 1 118 118 LEU CA C 118 55.423 55.423 54.065 1.358 25411 7096 1 13 . 1 1 118 118 LEU CB C 118 41.873 41.873 40.084 1.789 25411 7097 1 13 . 1 1 118 118 LEU H H 118 8.085 8.085 7.831 0.254 25411 7098 1 13 . 1 1 119 119 GLU N N 119 119.672 119.672 122.615 -2.943 25411 7099 1 13 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.387 -0.319 25411 7100 1 13 . 1 1 119 119 GLU CA C 119 56.565 56.565 55.839 0.726 25411 7101 1 13 . 1 1 119 119 GLU CB C 119 29.572 29.572 28.240 1.332 25411 7102 1 13 . 1 1 119 119 GLU H H 119 8.143 8.143 8.273 -0.130 25411 7103 1 13 . 1 1 120 120 HIS N N 120 118.301 118.301 120.859 -2.558 25411 7104 1 13 . 1 1 120 120 HIS CA C 120 55.883 55.883 58.303 -2.420 25411 7105 1 13 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.311 -0.041 25411 7106 1 13 . 1 1 120 120 HIS H H 120 8.107 8.107 8.285 -0.178 25411 7107 1 13 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.720 -0.712 25411 7108 1 13 . 1 1 121 121 HIS CA C 121 55.166 55.166 56.339 -1.173 25411 7109 1 13 . 1 1 121 121 HIS CB C 121 28.759 28.759 30.224 -1.465 25411 7110 1 13 . 1 1 122 122 HIS N N 122 122.407 122.407 117.807 4.600 25411 7111 1 13 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.757 -0.539 25411 7112 1 13 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.224 1.857 25411 7113 1 13 . 1 1 122 122 HIS CB C 122 29.371 29.371 31.912 -2.541 25411 7114 1 13 . 1 1 122 122 HIS H H 122 8.489 8.489 7.758 0.731 25411 7115 1 13 . 1 1 123 123 HIS N N 123 122.868 122.868 118.093 4.775 25411 7116 1 13 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.236 0.151 25411 7117 1 13 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.179 -0.869 25411 7118 1 13 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.166 0.336 25411 7119 1 13 . 1 1 123 123 HIS H H 123 8.596 8.596 8.006 0.590 25411 7120 1 13 . 1 1 124 124 HIS N N 124 123.734 123.734 120.129 3.605 25411 7121 1 13 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.935 -0.378 25411 7122 1 13 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.250 1.135 25411 7123 1 13 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.572 0.786 25411 7124 1 13 . 1 1 124 124 HIS H H 124 8.255 8.255 8.266 -0.011 25411 7125 1 14 . 1 1 3 3 GLN N N 3 122.360 122.360 120.146 2.214 25411 7126 1 14 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.291 -0.403 25411 7127 1 14 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.945 1.797 25411 7128 1 14 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.946 -0.563 25411 7129 1 14 . 1 1 3 3 GLN H H 3 9.398 9.398 8.569 0.829 25411 7130 1 14 . 1 1 4 4 GLU N N 4 119.689 119.689 120.349 -0.660 25411 7131 1 14 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.164 0.510 25411 7132 1 14 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.459 0.348 25411 7133 1 14 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.750 -0.050 25411 7134 1 14 . 1 1 4 4 GLU H H 4 7.464 7.464 8.876 -1.412 25411 7135 1 14 . 1 1 5 5 LEU N N 5 114.872 114.872 121.830 -6.958 25411 7136 1 14 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.066 -0.365 25411 7137 1 14 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.072 -0.334 25411 7138 1 14 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.904 -1.089 25411 7139 1 14 . 1 1 5 5 LEU H H 5 8.206 8.206 7.609 0.597 25411 7140 1 14 . 1 1 6 6 SER N N 6 109.762 109.762 113.379 -3.617 25411 7141 1 14 . 1 1 6 6 SER HA H 6 4.092 4.092 4.119 -0.027 25411 7142 1 14 . 1 1 6 6 SER CA C 6 60.415 60.415 61.992 -1.577 25411 7143 1 14 . 1 1 6 6 SER CB C 6 63.391 63.391 62.553 0.838 25411 7144 1 14 . 1 1 6 6 SER H H 6 8.253 8.253 8.261 -0.009 25411 7145 1 14 . 1 1 7 7 GLN N N 7 117.498 117.498 122.379 -4.881 25411 7146 1 14 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.191 -0.236 25411 7147 1 14 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.578 -0.153 25411 7148 1 14 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.779 -0.040 25411 7149 1 14 . 1 1 7 7 GLN H H 7 8.673 8.673 7.894 0.779 25411 7150 1 14 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.225 -0.428 25411 7151 1 14 . 1 1 8 8 HIS CA C 8 59.055 59.055 60.345 -1.290 25411 7152 1 14 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.184 -1.075 25411 7153 1 14 . 1 1 9 9 GLU N N 9 120.354 120.354 119.457 0.897 25411 7154 1 14 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.365 -0.406 25411 7155 1 14 . 1 1 9 9 GLU CA C 9 60.258 60.258 58.610 1.648 25411 7156 1 14 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.363 -0.136 25411 7157 1 14 . 1 1 9 9 GLU H H 9 7.690 7.690 8.505 -0.815 25411 7158 1 14 . 1 1 10 10 ARG N N 10 118.753 118.753 120.348 -1.595 25411 7159 1 14 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.056 0.043 25411 7160 1 14 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.646 -1.425 25411 7161 1 14 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.261 -1.166 25411 7162 1 14 . 1 1 10 10 ARG H H 10 8.928 8.928 7.979 0.949 25411 7163 1 14 . 1 1 11 11 TYR N N 11 121.288 121.288 119.116 2.172 25411 7164 1 14 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.257 -0.068 25411 7165 1 14 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.075 -0.839 25411 7166 1 14 . 1 1 11 11 TYR CB C 11 37.861 37.861 37.950 -0.089 25411 7167 1 14 . 1 1 11 11 TYR H H 11 7.562 7.562 8.736 -1.174 25411 7168 1 14 . 1 1 12 12 VAL N N 12 119.304 119.304 119.932 -0.628 25411 7169 1 14 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.679 -0.596 25411 7170 1 14 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.444 0.391 25411 7171 1 14 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.680 -0.581 25411 7172 1 14 . 1 1 12 12 VAL H H 12 8.075 8.075 7.444 0.631 25411 7173 1 14 . 1 1 13 13 GLU N N 13 119.685 119.685 119.802 -0.117 25411 7174 1 14 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.001 0.154 25411 7175 1 14 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.445 -0.020 25411 7176 1 14 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.374 -0.186 25411 7177 1 14 . 1 1 13 13 GLU H H 13 8.278 8.278 7.917 0.361 25411 7178 1 14 . 1 1 14 14 GLN N N 14 119.682 119.682 120.018 -0.336 25411 7179 1 14 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.021 -0.365 25411 7180 1 14 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.570 1.399 25411 7181 1 14 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.132 1.541 25411 7182 1 14 . 1 1 14 14 GLN H H 14 7.653 7.653 8.234 -0.581 25411 7183 1 14 . 1 1 15 15 LEU N N 15 121.000 121.000 118.947 2.053 25411 7184 1 14 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.067 -0.146 25411 7185 1 14 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.197 1.258 25411 7186 1 14 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.170 -0.410 25411 7187 1 14 . 1 1 15 15 LEU H H 15 8.402 8.402 8.469 -0.067 25411 7188 1 14 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.888 -0.192 25411 7189 1 14 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.293 -0.035 25411 7190 1 14 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.272 -0.137 25411 7191 1 14 . 1 1 17 17 GLN N N 17 117.558 117.558 118.373 -0.815 25411 7192 1 14 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.058 -0.171 25411 7193 1 14 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.637 -0.195 25411 7194 1 14 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.733 -0.688 25411 7195 1 14 . 1 1 17 17 GLN H H 17 7.849 7.849 7.924 -0.075 25411 7196 1 14 . 1 1 18 18 ALA N N 18 120.288 120.288 123.085 -2.797 25411 7197 1 14 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.131 -0.343 25411 7198 1 14 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.869 0.024 25411 7199 1 14 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.609 -1.213 25411 7200 1 14 . 1 1 18 18 ALA H H 18 8.504 8.504 8.215 0.289 25411 7201 1 14 . 1 1 19 19 LEU N N 19 116.974 116.974 118.215 -1.241 25411 7202 1 14 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.034 -0.275 25411 7203 1 14 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.673 0.878 25411 7204 1 14 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.700 -1.007 25411 7205 1 14 . 1 1 19 19 LEU H H 19 8.143 8.143 8.289 -0.146 25411 7206 1 14 . 1 1 20 20 LYS N N 20 117.776 117.776 120.671 -2.895 25411 7207 1 14 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.002 -0.047 25411 7208 1 14 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.650 -0.106 25411 7209 1 14 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.356 -1.870 25411 7210 1 14 . 1 1 20 20 LYS H H 20 8.340 8.340 7.888 0.452 25411 7211 1 14 . 1 1 21 21 THR N N 21 116.373 116.373 111.550 4.823 25411 7212 1 14 . 1 1 21 21 THR HA H 21 4.107 4.107 4.245 -0.138 25411 7213 1 14 . 1 1 21 21 THR CA C 21 64.611 64.611 64.412 0.199 25411 7214 1 14 . 1 1 21 21 THR CB C 21 68.811 68.811 68.441 0.370 25411 7215 1 14 . 1 1 21 21 THR H H 21 7.302 7.302 7.758 -0.456 25411 7216 1 14 . 1 1 22 22 ARG N N 22 118.647 118.647 120.025 -1.378 25411 7217 1 14 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.461 -0.099 25411 7218 1 14 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.748 -1.683 25411 7219 1 14 . 1 1 22 22 ARG CB C 22 29.528 29.528 30.888 -1.360 25411 7220 1 14 . 1 1 22 22 ARG H H 22 7.290 7.290 7.540 -0.249 25411 7221 1 14 . 1 1 23 23 GLY N N 23 108.637 108.637 107.925 0.712 25411 7222 1 14 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.797 0.315 25411 7223 1 14 . 1 1 23 23 GLY H H 23 7.881 7.881 7.728 0.153 25411 7224 1 14 . 1 1 24 24 VAL N N 24 117.390 117.390 116.931 0.459 25411 7225 1 14 . 1 1 24 24 VAL HA H 24 4.014 4.014 4.219 -0.205 25411 7226 1 14 . 1 1 24 24 VAL CA C 24 61.668 61.668 62.257 -0.589 25411 7227 1 14 . 1 1 24 24 VAL CB C 24 32.372 32.372 32.294 0.078 25411 7228 1 14 . 1 1 24 24 VAL H H 24 7.333 7.333 7.649 -0.316 25411 7229 1 14 . 1 1 25 25 LYS N N 25 127.322 127.322 117.737 9.585 25411 7230 1 14 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.886 0.446 25411 7231 1 14 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.209 -1.446 25411 7232 1 14 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.572 0.189 25411 7233 1 14 . 1 1 25 25 LYS H H 25 8.722 8.722 7.855 0.867 25411 7234 1 14 . 1 1 26 26 VAL N N 26 120.568 120.568 120.116 0.452 25411 7235 1 14 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.298 -0.220 25411 7236 1 14 . 1 1 26 26 VAL CA C 26 60.665 60.665 60.926 -0.261 25411 7237 1 14 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.384 0.263 25411 7238 1 14 . 1 1 26 26 VAL H H 26 7.119 7.119 8.311 -1.192 25411 7239 1 14 . 1 1 27 27 LYS N N 27 125.675 125.675 123.663 2.012 25411 7240 1 14 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.398 -0.072 25411 7241 1 14 . 1 1 27 27 LYS CA C 27 55.411 55.411 54.843 0.568 25411 7242 1 14 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.907 -2.948 25411 7243 1 14 . 1 1 27 27 LYS H H 27 8.570 8.570 7.929 0.641 25411 7244 1 14 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.559 -0.542 25411 7245 1 14 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.760 -2.348 25411 7246 1 14 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.873 1.967 25411 7247 1 14 . 1 1 29 29 ALA N N 29 120.743 120.743 127.742 -6.999 25411 7248 1 14 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.241 -0.573 25411 7249 1 14 . 1 1 29 29 ALA CA C 29 54.678 54.678 54.999 -0.321 25411 7250 1 14 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.986 -0.986 25411 7251 1 14 . 1 1 29 29 ALA H H 29 8.323 8.323 8.757 -0.434 25411 7252 1 14 . 1 1 30 30 ASP N N 30 117.202 117.202 117.505 -0.303 25411 7253 1 14 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.454 -0.173 25411 7254 1 14 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.635 -0.082 25411 7255 1 14 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.099 0.708 25411 7256 1 14 . 1 1 30 30 ASP H H 30 6.872 6.872 8.997 -2.125 25411 7257 1 14 . 1 1 31 31 LEU N N 31 122.273 122.273 120.428 1.845 25411 7258 1 14 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.400 -0.854 25411 7259 1 14 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.797 -0.072 25411 7260 1 14 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.325 -1.667 25411 7261 1 14 . 1 1 31 31 LEU H H 31 7.433 7.433 7.548 -0.115 25411 7262 1 14 . 1 1 32 32 LEU N N 32 123.376 123.376 117.405 5.971 25411 7263 1 14 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.238 -0.623 25411 7264 1 14 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.647 0.449 25411 7265 1 14 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.851 -1.309 25411 7266 1 14 . 1 1 32 32 LEU H H 32 8.727 8.727 7.990 0.737 25411 7267 1 14 . 1 1 33 33 LYS N N 33 118.078 118.078 121.121 -3.043 25411 7268 1 14 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.278 -0.065 25411 7269 1 14 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.743 -0.645 25411 7270 1 14 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.038 -0.148 25411 7271 1 14 . 1 1 33 33 LYS H H 33 7.149 7.149 7.795 -0.646 25411 7272 1 14 . 1 1 34 34 PHE N N 34 117.398 117.398 120.031 -2.633 25411 7273 1 14 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.720 -5.025 25411 7274 1 14 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.078 2.141 25411 7275 1 14 . 1 1 34 34 PHE H H 34 7.633 7.633 8.155 -0.522 25411 7276 1 14 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.150 -0.357 25411 7277 1 14 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.136 -0.544 25411 7278 1 14 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.378 -2.364 25411 7279 1 14 . 1 1 36 36 ASP N N 36 120.136 120.136 120.077 0.059 25411 7280 1 14 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.519 -0.423 25411 7281 1 14 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.839 -0.898 25411 7282 1 14 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.666 -1.562 25411 7283 1 14 . 1 1 36 36 ASP H H 36 8.330 8.330 8.969 -0.639 25411 7284 1 14 . 1 1 37 37 PHE N N 37 121.883 121.883 118.463 3.420 25411 7285 1 14 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.491 -0.233 25411 7286 1 14 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.862 -2.164 25411 7287 1 14 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.095 1.090 25411 7288 1 14 . 1 1 37 37 PHE H H 37 7.794 7.794 8.549 -0.755 25411 7289 1 14 . 1 1 38 38 VAL N N 38 118.525 118.525 120.050 -1.525 25411 7290 1 14 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.768 -0.729 25411 7291 1 14 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.023 0.859 25411 7292 1 14 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.447 -0.759 25411 7293 1 14 . 1 1 38 38 VAL H H 38 8.262 8.262 7.863 0.399 25411 7294 1 14 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.942 -0.486 25411 7295 1 14 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.383 -0.329 25411 7296 1 14 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.900 -0.204 25411 7297 1 14 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.692 -0.247 25411 7298 1 14 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.497 0.488 25411 7299 1 14 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.734 -1.042 25411 7300 1 14 . 1 1 41 41 ILE N N 41 120.641 120.641 119.102 1.539 25411 7301 1 14 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.156 -0.131 25411 7302 1 14 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.816 -3.163 25411 7303 1 14 . 1 1 41 41 ILE CB C 41 38.064 38.064 39.356 -1.292 25411 7304 1 14 . 1 1 41 41 ILE H H 41 8.788 8.788 8.581 0.207 25411 7305 1 14 . 1 1 42 42 CYS N N 42 117.896 117.896 113.488 4.408 25411 7306 1 14 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.531 0.641 25411 7307 1 14 . 1 1 42 42 CYS CB C 42 28.324 28.324 27.539 0.785 25411 7308 1 14 . 1 1 42 42 CYS H H 42 7.180 7.180 7.839 -0.659 25411 7309 1 14 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.113 0.202 25411 7310 1 14 . 1 1 43 43 PRO CA C 43 65.003 65.003 65.648 -0.645 25411 7311 1 14 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.292 -0.577 25411 7312 1 14 . 1 1 44 44 TRP N N 44 113.823 113.823 115.334 -1.511 25411 7313 1 14 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.490 -0.185 25411 7314 1 14 . 1 1 44 44 TRP CA C 44 55.398 55.398 56.676 -1.278 25411 7315 1 14 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.456 -1.645 25411 7316 1 14 . 1 1 44 44 TRP H H 44 6.591 6.591 7.644 -1.053 25411 7317 1 14 . 1 1 45 45 PHE N N 45 123.100 123.100 116.375 6.725 25411 7318 1 14 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.061 -1.060 25411 7319 1 14 . 1 1 45 45 PHE CA C 45 62.809 62.809 55.209 7.600 25411 7320 1 14 . 1 1 45 45 PHE CB C 45 34.935 34.935 37.986 -3.051 25411 7321 1 14 . 1 1 45 45 PHE H H 45 7.239 7.239 8.018 -0.779 25411 7322 1 14 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.330 -0.318 25411 7323 1 14 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.428 0.103 25411 7324 1 14 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.721 -1.234 25411 7325 1 14 . 1 1 47 47 GLN N N 47 114.502 114.502 116.931 -2.429 25411 7326 1 14 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.123 -0.186 25411 7327 1 14 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.245 0.159 25411 7328 1 14 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.664 0.656 25411 7329 1 14 . 1 1 47 47 GLN H H 47 6.518 6.518 8.533 -2.015 25411 7330 1 14 . 1 1 48 48 GLU N N 48 117.358 117.358 119.120 -1.762 25411 7331 1 14 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.198 -0.160 25411 7332 1 14 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.951 1.221 25411 7333 1 14 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.129 -1.175 25411 7334 1 14 . 1 1 48 48 GLU H H 48 7.318 7.318 7.883 -0.566 25411 7335 1 14 . 1 1 49 49 GLY N N 49 105.534 105.534 108.529 -2.995 25411 7336 1 14 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.987 1.316 25411 7337 1 14 . 1 1 49 49 GLY H H 49 7.296 7.296 8.071 -0.775 25411 7338 1 14 . 1 1 50 50 THR N N 50 114.069 114.069 113.683 0.386 25411 7339 1 14 . 1 1 50 50 THR HA H 50 4.234 4.234 4.367 -0.133 25411 7340 1 14 . 1 1 50 50 THR CA C 50 61.683 61.683 60.432 1.251 25411 7341 1 14 . 1 1 50 50 THR CB C 50 70.718 70.718 70.783 -0.065 25411 7342 1 14 . 1 1 50 50 THR H H 50 7.597 7.597 7.681 -0.084 25411 7343 1 14 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.114 0.011 25411 7344 1 14 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.752 -1.882 25411 7345 1 14 . 1 1 51 51 ILE CB C 51 35.288 35.288 38.368 -3.080 25411 7346 1 14 . 1 1 52 52 ASP N N 52 121.791 121.791 126.641 -4.850 25411 7347 1 14 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.896 -0.273 25411 7348 1 14 . 1 1 52 52 ASP CA C 52 51.732 51.732 53.063 -1.331 25411 7349 1 14 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.045 -1.584 25411 7350 1 14 . 1 1 52 52 ASP H H 52 7.168 7.168 8.325 -1.157 25411 7351 1 14 . 1 1 53 53 ILE N N 53 119.537 119.537 119.050 0.487 25411 7352 1 14 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.614 -0.478 25411 7353 1 14 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.278 -0.482 25411 7354 1 14 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.555 -1.740 25411 7355 1 14 . 1 1 53 53 ILE H H 53 8.336 8.336 8.543 -0.207 25411 7356 1 14 . 1 1 54 54 LYS N N 54 123.592 123.592 122.136 1.456 25411 7357 1 14 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.128 -0.023 25411 7358 1 14 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.083 -0.111 25411 7359 1 14 . 1 1 54 54 LYS CB C 54 31.748 31.748 31.852 -0.104 25411 7360 1 14 . 1 1 54 54 LYS H H 54 8.104 8.104 8.483 -0.379 25411 7361 1 14 . 1 1 55 55 ARG N N 55 120.511 120.511 120.301 0.210 25411 7362 1 14 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.089 0.212 25411 7363 1 14 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.484 0.419 25411 7364 1 14 . 1 1 55 55 ARG CB C 55 30.056 30.056 29.789 0.267 25411 7365 1 14 . 1 1 55 55 ARG H H 55 9.196 9.196 8.547 0.649 25411 7366 1 14 . 1 1 56 56 TRP N N 56 120.681 120.681 121.171 -0.490 25411 7367 1 14 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.544 0.159 25411 7368 1 14 . 1 1 56 56 TRP CA C 56 59.406 59.406 59.102 0.304 25411 7369 1 14 . 1 1 56 56 TRP CB C 56 30.014 30.014 28.785 1.229 25411 7370 1 14 . 1 1 56 56 TRP H H 56 8.899 8.899 8.195 0.704 25411 7371 1 14 . 1 1 57 57 ARG N N 57 122.115 122.115 120.478 1.637 25411 7372 1 14 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.236 1.171 25411 7373 1 14 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.203 0.825 25411 7374 1 14 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.762 0.024 25411 7375 1 14 . 1 1 57 57 ARG H H 57 9.210 9.210 8.157 1.053 25411 7376 1 14 . 1 1 58 58 ARG N N 58 120.918 120.918 119.282 1.636 25411 7377 1 14 . 1 1 58 58 ARG CA C 58 59.845 59.845 58.809 1.036 25411 7378 1 14 . 1 1 58 58 ARG CB C 58 29.729 29.729 29.714 0.015 25411 7379 1 14 . 1 1 58 58 ARG H H 58 7.640 7.640 7.603 0.037 25411 7380 1 14 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.641 0.123 25411 7381 1 14 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.833 0.167 25411 7382 1 14 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.382 -0.550 25411 7383 1 14 . 1 1 59 59 VAL H H 59 7.916 7.916 7.538 0.378 25411 7384 1 14 . 1 1 60 60 GLY N N 60 106.856 106.856 107.280 -0.424 25411 7385 1 14 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.116 -1.035 25411 7386 1 14 . 1 1 60 60 GLY H H 60 7.623 7.623 8.187 -0.564 25411 7387 1 14 . 1 1 61 61 ASP N N 61 123.308 123.308 122.160 1.148 25411 7388 1 14 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.499 -0.274 25411 7389 1 14 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.875 -0.075 25411 7390 1 14 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.710 -1.226 25411 7391 1 14 . 1 1 61 61 ASP H H 61 8.203 8.203 7.988 0.215 25411 7392 1 14 . 1 1 62 62 CYS N N 62 120.841 120.841 118.637 2.204 25411 7393 1 14 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.026 0.212 25411 7394 1 14 . 1 1 62 62 CYS CA C 62 62.950 62.950 63.401 -0.451 25411 7395 1 14 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.157 0.346 25411 7396 1 14 . 1 1 62 62 CYS H H 62 7.795 7.795 7.412 0.383 25411 7397 1 14 . 1 1 63 63 PHE N N 63 119.763 119.763 118.847 0.916 25411 7398 1 14 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.244 0.034 25411 7399 1 14 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.501 -2.844 25411 7400 1 14 . 1 1 63 63 PHE CB C 63 36.990 36.990 37.976 -0.986 25411 7401 1 14 . 1 1 63 63 PHE H H 63 8.647 8.647 7.556 1.091 25411 7402 1 14 . 1 1 64 64 GLN N N 64 118.578 118.578 119.899 -1.321 25411 7403 1 14 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.073 0.235 25411 7404 1 14 . 1 1 64 64 GLN CA C 64 59.333 59.333 59.078 0.255 25411 7405 1 14 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.685 -0.106 25411 7406 1 14 . 1 1 64 64 GLN H H 64 8.261 8.261 8.639 -0.378 25411 7407 1 14 . 1 1 65 65 ASP N N 65 119.534 119.534 121.561 -2.027 25411 7408 1 14 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.391 0.093 25411 7409 1 14 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.090 0.239 25411 7410 1 14 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.808 -1.137 25411 7411 1 14 . 1 1 65 65 ASP H H 65 8.338 8.338 8.324 0.014 25411 7412 1 14 . 1 1 66 66 TYR N N 66 123.600 123.600 122.079 1.521 25411 7413 1 14 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.923 0.579 25411 7414 1 14 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.153 -0.922 25411 7415 1 14 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.531 -0.097 25411 7416 1 14 . 1 1 66 66 TYR H H 66 7.804 7.804 8.311 -0.507 25411 7417 1 14 . 1 1 67 67 TYR N N 67 122.825 122.825 118.069 4.756 25411 7418 1 14 . 1 1 67 67 TYR HA H 67 3.997 3.997 4.205 -0.208 25411 7419 1 14 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.892 0.011 25411 7420 1 14 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.683 0.263 25411 7421 1 14 . 1 1 67 67 TYR H H 67 9.100 9.100 8.197 0.903 25411 7422 1 14 . 1 1 68 68 ASN N N 68 118.826 118.826 116.771 2.055 25411 7423 1 14 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.378 -0.095 25411 7424 1 14 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.847 -0.415 25411 7425 1 14 . 1 1 68 68 ASN CB C 68 37.876 37.876 37.813 0.063 25411 7426 1 14 . 1 1 68 68 ASN H H 68 8.853 8.853 8.646 0.207 25411 7427 1 14 . 1 1 69 69 THR N N 69 114.242 114.242 115.140 -0.898 25411 7428 1 14 . 1 1 69 69 THR HA H 69 3.837 3.837 4.064 -0.227 25411 7429 1 14 . 1 1 69 69 THR CA C 69 65.328 65.328 65.259 0.069 25411 7430 1 14 . 1 1 69 69 THR CB C 69 69.249 69.249 68.088 1.161 25411 7431 1 14 . 1 1 69 69 THR H H 69 7.847 7.847 8.047 -0.200 25411 7432 1 14 . 1 1 70 70 PHE N N 70 117.970 117.970 118.705 -0.735 25411 7433 1 14 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.368 0.196 25411 7434 1 14 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.888 0.354 25411 7435 1 14 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.241 2.833 25411 7436 1 14 . 1 1 70 70 PHE H H 70 8.489 8.489 7.200 1.289 25411 7437 1 14 . 1 1 71 71 GLY N N 71 109.516 109.516 107.991 1.525 25411 7438 1 14 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.873 0.159 25411 7439 1 14 . 1 1 71 71 GLY H H 71 7.968 7.968 7.555 0.413 25411 7440 1 14 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.398 0.313 25411 7441 1 14 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.081 1.216 25411 7442 1 14 . 1 1 72 72 PRO CB C 72 31.744 31.744 30.781 0.963 25411 7443 1 14 . 1 1 73 73 GLU N N 73 117.720 117.720 125.360 -7.640 25411 7444 1 14 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.108 -0.209 25411 7445 1 14 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.268 0.468 25411 7446 1 14 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.601 -0.738 25411 7447 1 14 . 1 1 73 73 GLU H H 73 8.586 8.586 8.274 0.312 25411 7448 1 14 . 1 1 74 74 LYS N N 74 116.974 116.974 119.125 -2.151 25411 7449 1 14 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.407 -0.018 25411 7450 1 14 . 1 1 74 74 LYS CA C 74 55.185 55.185 54.915 0.270 25411 7451 1 14 . 1 1 74 74 LYS CB C 74 34.087 34.087 31.110 2.977 25411 7452 1 14 . 1 1 74 74 LYS H H 74 7.505 7.505 8.146 -0.641 25411 7453 1 14 . 1 1 75 75 VAL N N 75 117.309 117.309 122.792 -5.483 25411 7454 1 14 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.166 0.147 25411 7455 1 14 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.986 1.059 25411 7456 1 14 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.561 -0.577 25411 7457 1 14 . 1 1 75 75 VAL H H 75 7.402 7.402 7.412 -0.010 25411 7458 1 14 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.559 0.003 25411 7459 1 14 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.666 -0.979 25411 7460 1 14 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.517 -0.786 25411 7461 1 14 . 1 1 77 77 VAL N N 77 120.870 120.870 121.673 -0.803 25411 7462 1 14 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.179 -0.351 25411 7463 1 14 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.266 1.571 25411 7464 1 14 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.748 -0.361 25411 7465 1 14 . 1 1 77 77 VAL H H 77 8.473 8.473 8.800 -0.327 25411 7466 1 14 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.828 0.024 25411 7467 1 14 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.149 -3.024 25411 7468 1 14 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.904 0.231 25411 7469 1 14 . 1 1 78 78 ILE H H 78 8.388 8.388 8.021 0.367 25411 7470 1 14 . 1 1 79 79 ALA N N 79 123.960 123.960 123.529 0.431 25411 7471 1 14 . 1 1 79 79 ALA HA H 79 3.890 3.890 3.949 -0.059 25411 7472 1 14 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.532 0.357 25411 7473 1 14 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.166 -0.543 25411 7474 1 14 . 1 1 79 79 ALA H H 79 7.953 7.953 8.002 -0.049 25411 7475 1 14 . 1 1 80 80 PHE N N 80 114.330 114.330 114.146 0.184 25411 7476 1 14 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.390 0.041 25411 7477 1 14 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.817 1.495 25411 7478 1 14 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.224 -1.568 25411 7479 1 14 . 1 1 80 80 PHE H H 80 7.499 7.499 8.070 -0.571 25411 7480 1 14 . 1 1 81 81 SER N N 81 115.971 115.971 114.424 1.547 25411 7481 1 14 . 1 1 81 81 SER HA H 81 4.206 4.206 4.332 -0.126 25411 7482 1 14 . 1 1 81 81 SER CA C 81 58.432 58.432 59.566 -1.134 25411 7483 1 14 . 1 1 81 81 SER CB C 81 63.575 63.575 63.798 -0.223 25411 7484 1 14 . 1 1 81 81 SER H H 81 8.225 8.225 7.670 0.555 25411 7485 1 14 . 1 1 82 82 TYR N N 82 121.997 121.997 123.378 -1.381 25411 7486 1 14 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.403 0.044 25411 7487 1 14 . 1 1 82 82 TYR CA C 82 55.885 55.885 59.793 -3.908 25411 7488 1 14 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.583 -0.745 25411 7489 1 14 . 1 1 82 82 TYR H H 82 8.378 8.378 7.495 0.883 25411 7490 1 14 . 1 1 83 83 TRP N N 83 120.268 120.268 118.540 1.728 25411 7491 1 14 . 1 1 83 83 TRP CA C 83 57.393 57.393 59.576 -2.183 25411 7492 1 14 . 1 1 83 83 TRP CB C 83 28.894 28.894 28.595 0.299 25411 7493 1 14 . 1 1 83 83 TRP H H 83 8.546 8.546 9.008 -0.462 25411 7494 1 14 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.088 0.132 25411 7495 1 14 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.521 0.108 25411 7496 1 14 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.374 1.691 25411 7497 1 14 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.108 -0.062 25411 7498 1 14 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.727 0.415 25411 7499 1 14 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.840 -0.148 25411 7500 1 14 . 1 1 86 86 ILE N N 86 117.000 117.000 119.519 -2.519 25411 7501 1 14 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.521 -0.075 25411 7502 1 14 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.903 -2.620 25411 7503 1 14 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.137 -1.725 25411 7504 1 14 . 1 1 86 86 ILE H H 86 7.882 7.882 7.744 0.138 25411 7505 1 14 . 1 1 87 87 LYS HA H 87 3.226 3.226 4.109 -0.883 25411 7506 1 14 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.505 0.491 25411 7507 1 14 . 1 1 87 87 LYS CB C 87 31.050 31.050 32.546 -1.496 25411 7508 1 14 . 1 1 88 88 GLU N N 88 116.404 116.404 117.975 -1.571 25411 7509 1 14 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.286 -0.439 25411 7510 1 14 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.246 0.665 25411 7511 1 14 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.463 -0.494 25411 7512 1 14 . 1 1 88 88 GLU H H 88 7.689 7.689 7.853 -0.164 25411 7513 1 14 . 1 1 89 89 LEU N N 89 118.193 118.193 121.589 -3.396 25411 7514 1 14 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.172 -0.283 25411 7515 1 14 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.803 1.159 25411 7516 1 14 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.087 -0.787 25411 7517 1 14 . 1 1 89 89 LEU H H 89 7.415 7.415 7.716 -0.301 25411 7518 1 14 . 1 1 90 90 ILE N N 90 115.471 115.471 120.480 -5.009 25411 7519 1 14 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.673 -0.255 25411 7520 1 14 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.142 0.766 25411 7521 1 14 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.663 -0.069 25411 7522 1 14 . 1 1 90 90 ILE H H 90 7.718 7.718 7.740 -0.022 25411 7523 1 14 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.418 -0.698 25411 7524 1 14 . 1 1 91 91 ASP CA C 91 57.664 57.664 57.186 0.478 25411 7525 1 14 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.793 -0.261 25411 7526 1 14 . 1 1 92 92 LYS N N 92 119.253 119.253 117.902 1.351 25411 7527 1 14 . 1 1 92 92 LYS CA C 92 58.897 58.897 56.126 2.771 25411 7528 1 14 . 1 1 92 92 LYS CB C 92 31.988 31.988 31.606 0.382 25411 7529 1 14 . 1 1 92 92 LYS H H 92 7.869 7.869 7.696 0.173 25411 7530 1 14 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.964 0.567 25411 7531 1 14 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.894 -3.636 25411 7532 1 14 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.725 0.444 25411 7533 1 14 . 1 1 94 94 GLU N N 94 116.729 116.729 120.439 -3.710 25411 7534 1 14 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.088 0.045 25411 7535 1 14 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.081 0.238 25411 7536 1 14 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.210 -1.835 25411 7537 1 14 . 1 1 94 94 GLU H H 94 8.393 8.393 7.772 0.621 25411 7538 1 14 . 1 1 95 95 VAL N N 95 121.696 121.696 117.452 4.244 25411 7539 1 14 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.863 0.619 25411 7540 1 14 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.708 3.013 25411 7541 1 14 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.432 1.462 25411 7542 1 14 . 1 1 95 95 VAL H H 95 7.923 7.923 7.567 0.356 25411 7543 1 14 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.896 -0.538 25411 7544 1 14 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.161 0.446 25411 7545 1 14 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.695 -0.821 25411 7546 1 14 . 1 1 98 98 GLN N N 98 117.731 117.731 118.312 -0.581 25411 7547 1 14 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.084 -0.159 25411 7548 1 14 . 1 1 98 98 GLN CA C 98 58.608 58.608 57.982 0.626 25411 7549 1 14 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.903 0.618 25411 7550 1 14 . 1 1 98 98 GLN H H 98 8.359 8.359 8.615 -0.256 25411 7551 1 14 . 1 1 99 99 VAL N N 99 121.326 121.326 117.825 3.501 25411 7552 1 14 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.683 -0.263 25411 7553 1 14 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.525 0.879 25411 7554 1 14 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.382 0.237 25411 7555 1 14 . 1 1 99 99 VAL H H 99 7.901 7.901 8.052 -0.151 25411 7556 1 14 . 1 1 100 100 MET N N 100 120.447 120.447 116.370 4.077 25411 7557 1 14 . 1 1 100 100 MET HA H 100 3.812 3.812 4.359 -0.547 25411 7558 1 14 . 1 1 100 100 MET CA C 100 59.297 59.297 58.015 1.282 25411 7559 1 14 . 1 1 100 100 MET CB C 100 32.099 32.099 33.249 -1.150 25411 7560 1 14 . 1 1 100 100 MET H H 100 7.509 7.509 7.589 -0.080 25411 7561 1 14 . 1 1 101 101 ALA N N 101 119.458 119.458 121.324 -1.866 25411 7562 1 14 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.250 -0.040 25411 7563 1 14 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.251 0.501 25411 7564 1 14 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.453 -0.931 25411 7565 1 14 . 1 1 101 101 ALA H H 101 7.889 7.889 7.585 0.304 25411 7566 1 14 . 1 1 102 102 ALA N N 102 119.627 119.627 121.123 -1.496 25411 7567 1 14 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.216 -0.223 25411 7568 1 14 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.222 0.666 25411 7569 1 14 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.725 -1.381 25411 7570 1 14 . 1 1 102 102 ALA H H 102 7.563 7.563 8.287 -0.724 25411 7571 1 14 . 1 1 103 103 VAL N N 103 122.690 122.690 118.654 4.036 25411 7572 1 14 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.980 0.093 25411 7573 1 14 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.437 -3.752 25411 7574 1 14 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.768 1.454 25411 7575 1 14 . 1 1 103 103 VAL H H 103 8.828 8.828 7.499 1.329 25411 7576 1 14 . 1 1 104 104 ALA N N 104 128.041 128.041 119.904 8.137 25411 7577 1 14 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.315 -0.046 25411 7578 1 14 . 1 1 104 104 ALA CA C 104 52.141 52.141 53.720 -1.579 25411 7579 1 14 . 1 1 104 104 ALA CB C 104 18.940 18.940 17.835 1.105 25411 7580 1 14 . 1 1 104 104 ALA H H 104 8.367 8.367 7.426 0.941 25411 7581 1 14 . 1 1 105 105 GLN N N 105 120.265 120.265 117.280 2.985 25411 7582 1 14 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.365 0.566 25411 7583 1 14 . 1 1 105 105 GLN CB C 105 29.020 29.020 31.130 -2.110 25411 7584 1 14 . 1 1 105 105 GLN H H 105 8.356 8.356 7.641 0.715 25411 7585 1 14 . 1 1 106 106 THR HA H 106 4.320 4.320 4.194 0.126 25411 7586 1 14 . 1 1 106 106 THR CA C 106 61.346 61.346 65.833 -4.487 25411 7587 1 14 . 1 1 106 106 THR CB C 106 69.293 69.293 69.243 0.050 25411 7588 1 14 . 1 1 107 107 GLU N N 107 122.706 122.706 119.556 3.150 25411 7589 1 14 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.478 -0.296 25411 7590 1 14 . 1 1 107 107 GLU CA C 107 56.576 56.576 56.632 -0.056 25411 7591 1 14 . 1 1 107 107 GLU CB C 107 29.936 29.936 32.858 -2.922 25411 7592 1 14 . 1 1 107 107 GLU H H 107 8.404 8.404 7.652 0.752 25411 7593 1 14 . 1 1 108 108 GLU N N 108 122.034 122.034 117.330 4.704 25411 7594 1 14 . 1 1 108 108 GLU HA H 108 4.161 4.161 3.930 0.231 25411 7595 1 14 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.546 -0.897 25411 7596 1 14 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.406 0.270 25411 7597 1 14 . 1 1 108 108 GLU H H 108 7.341 7.341 7.893 -0.552 25411 7598 1 14 . 1 1 109 109 ILE N N 109 122.151 122.151 116.087 6.064 25411 7599 1 14 . 1 1 109 109 ILE HA H 109 4.047 4.047 3.963 0.083 25411 7600 1 14 . 1 1 109 109 ILE CA C 109 61.565 61.565 63.317 -1.752 25411 7601 1 14 . 1 1 109 109 ILE CB C 109 38.104 38.104 37.580 0.524 25411 7602 1 14 . 1 1 109 109 ILE H H 109 8.058 8.058 8.380 -0.322 25411 7603 1 14 . 1 1 110 110 LEU N N 110 122.427 122.427 122.025 0.402 25411 7604 1 14 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.137 0.139 25411 7605 1 14 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.709 -1.558 25411 7606 1 14 . 1 1 110 110 LEU CB C 110 32.255 32.255 41.342 -9.087 25411 7607 1 14 . 1 1 110 110 LEU H H 110 8.194 8.194 7.864 0.330 25411 7608 1 14 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.170 0.077 25411 7609 1 14 . 1 1 111 111 LYS CA C 111 56.137 56.137 57.354 -1.217 25411 7610 1 14 . 1 1 111 111 LYS CB C 111 32.569 32.569 31.581 0.989 25411 7611 1 14 . 1 1 112 112 SER N N 112 116.453 116.453 112.631 3.822 25411 7612 1 14 . 1 1 112 112 SER HA H 112 4.175 4.175 4.086 0.089 25411 7613 1 14 . 1 1 112 112 SER CA C 112 58.311 58.311 59.954 -1.643 25411 7614 1 14 . 1 1 112 112 SER CB C 112 63.441 63.441 62.424 1.017 25411 7615 1 14 . 1 1 112 112 SER H H 112 8.204 8.204 7.963 0.241 25411 7616 1 14 . 1 1 113 113 ASN N N 113 119.747 119.747 114.943 4.804 25411 7617 1 14 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.425 0.219 25411 7618 1 14 . 1 1 113 113 ASN CA C 113 53.645 53.645 54.806 -1.161 25411 7619 1 14 . 1 1 113 113 ASN CB C 113 38.646 38.646 37.960 0.686 25411 7620 1 14 . 1 1 113 113 ASN H H 113 7.944 7.944 8.694 -0.750 25411 7621 1 14 . 1 1 114 114 SER N N 114 115.433 115.433 108.623 6.810 25411 7622 1 14 . 1 1 114 114 SER HA H 114 4.336 4.336 4.550 -0.214 25411 7623 1 14 . 1 1 114 114 SER CA C 114 58.711 58.711 58.998 -0.287 25411 7624 1 14 . 1 1 114 114 SER CB C 114 63.308 63.308 65.111 -1.803 25411 7625 1 14 . 1 1 114 114 SER H H 114 7.962 7.962 7.744 0.218 25411 7626 1 14 . 1 1 115 115 GLN N N 115 121.682 121.682 120.716 0.966 25411 7627 1 14 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.608 -0.334 25411 7628 1 14 . 1 1 115 115 GLN CA C 115 56.193 56.193 53.538 2.655 25411 7629 1 14 . 1 1 115 115 GLN CB C 115 28.807 28.807 32.046 -3.239 25411 7630 1 14 . 1 1 115 115 GLN H H 115 8.207 8.207 8.028 0.179 25411 7631 1 14 . 1 1 116 116 THR N N 116 114.715 114.715 112.922 1.793 25411 7632 1 14 . 1 1 116 116 THR HA H 116 4.225 4.225 4.588 -0.363 25411 7633 1 14 . 1 1 116 116 THR CA C 116 62.109 62.109 59.960 2.149 25411 7634 1 14 . 1 1 116 116 THR CB C 116 69.336 69.336 71.566 -2.230 25411 7635 1 14 . 1 1 116 116 THR H H 116 8.062 8.062 7.956 0.106 25411 7636 1 14 . 1 1 117 117 ASP N N 117 122.602 122.602 121.409 1.193 25411 7637 1 14 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.333 0.235 25411 7638 1 14 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.599 -2.395 25411 7639 1 14 . 1 1 117 117 ASP CB C 117 40.665 40.665 39.719 0.946 25411 7640 1 14 . 1 1 117 117 ASP H H 117 8.065 8.065 8.980 -0.915 25411 7641 1 14 . 1 1 118 118 LEU N N 118 122.140 122.140 120.322 1.818 25411 7642 1 14 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.529 -0.374 25411 7643 1 14 . 1 1 118 118 LEU CA C 118 55.423 55.423 53.859 1.564 25411 7644 1 14 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.755 0.118 25411 7645 1 14 . 1 1 118 118 LEU H H 118 8.085 8.085 7.607 0.478 25411 7646 1 14 . 1 1 119 119 GLU N N 119 119.672 119.672 116.705 2.967 25411 7647 1 14 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.775 0.293 25411 7648 1 14 . 1 1 119 119 GLU CA C 119 56.565 56.565 56.737 -0.172 25411 7649 1 14 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.468 2.104 25411 7650 1 14 . 1 1 119 119 GLU H H 119 8.143 8.143 7.565 0.578 25411 7651 1 14 . 1 1 120 120 HIS N N 120 118.301 118.301 115.566 2.735 25411 7652 1 14 . 1 1 120 120 HIS CA C 120 55.883 55.883 57.078 -1.194 25411 7653 1 14 . 1 1 120 120 HIS CB C 120 29.270 29.270 28.907 0.363 25411 7654 1 14 . 1 1 120 120 HIS H H 120 8.107 8.107 8.360 -0.253 25411 7655 1 14 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.859 -0.851 25411 7656 1 14 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.757 -0.591 25411 7657 1 14 . 1 1 121 121 HIS CB C 121 28.759 28.759 30.125 -1.366 25411 7658 1 14 . 1 1 122 122 HIS N N 122 122.407 122.407 118.632 3.775 25411 7659 1 14 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.742 -0.524 25411 7660 1 14 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.142 1.939 25411 7661 1 14 . 1 1 122 122 HIS CB C 122 29.371 29.371 31.631 -2.260 25411 7662 1 14 . 1 1 122 122 HIS H H 122 8.489 8.489 8.370 0.119 25411 7663 1 14 . 1 1 123 123 HIS N N 123 122.868 122.868 119.208 3.660 25411 7664 1 14 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.284 0.103 25411 7665 1 14 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.697 -0.387 25411 7666 1 14 . 1 1 123 123 HIS CB C 123 29.502 29.502 28.849 0.653 25411 7667 1 14 . 1 1 123 123 HIS H H 123 8.596 8.596 8.603 -0.007 25411 7668 1 14 . 1 1 124 124 HIS N N 124 123.734 123.734 122.834 0.900 25411 7669 1 14 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.839 -0.282 25411 7670 1 14 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.423 0.962 25411 7671 1 14 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.520 0.838 25411 7672 1 14 . 1 1 124 124 HIS H H 124 8.255 8.255 7.966 0.289 25411 7673 1 15 . 1 1 3 3 GLN N N 3 122.360 122.360 120.135 2.225 25411 7674 1 15 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.329 -0.441 25411 7675 1 15 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.691 2.051 25411 7676 1 15 . 1 1 3 3 GLN CB C 3 28.383 28.383 29.025 -0.642 25411 7677 1 15 . 1 1 3 3 GLN H H 3 9.398 9.398 8.417 0.981 25411 7678 1 15 . 1 1 4 4 GLU N N 4 119.689 119.689 120.141 -0.452 25411 7679 1 15 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.177 0.497 25411 7680 1 15 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.643 0.164 25411 7681 1 15 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.797 -0.097 25411 7682 1 15 . 1 1 4 4 GLU H H 4 7.464 7.464 8.808 -1.344 25411 7683 1 15 . 1 1 5 5 LEU N N 5 114.872 114.872 121.303 -6.431 25411 7684 1 15 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.106 -0.405 25411 7685 1 15 . 1 1 5 5 LEU CA C 5 57.738 57.738 57.782 -0.044 25411 7686 1 15 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.954 -1.139 25411 7687 1 15 . 1 1 5 5 LEU H H 5 8.206 8.206 7.659 0.547 25411 7688 1 15 . 1 1 6 6 SER N N 6 109.762 109.762 113.735 -3.973 25411 7689 1 15 . 1 1 6 6 SER HA H 6 4.092 4.092 4.105 -0.013 25411 7690 1 15 . 1 1 6 6 SER CA C 6 60.415 60.415 61.934 -1.519 25411 7691 1 15 . 1 1 6 6 SER CB C 6 63.391 63.391 62.584 0.806 25411 7692 1 15 . 1 1 6 6 SER H H 6 8.253 8.253 8.148 0.105 25411 7693 1 15 . 1 1 7 7 GLN N N 7 117.498 117.498 122.648 -5.150 25411 7694 1 15 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.043 -0.088 25411 7695 1 15 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.807 -0.383 25411 7696 1 15 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.645 0.094 25411 7697 1 15 . 1 1 7 7 GLN H H 7 8.673 8.673 8.055 0.618 25411 7698 1 15 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.439 -0.642 25411 7699 1 15 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.543 -0.488 25411 7700 1 15 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.105 -0.996 25411 7701 1 15 . 1 1 9 9 GLU N N 9 120.354 120.354 119.383 0.971 25411 7702 1 15 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.236 -0.277 25411 7703 1 15 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.389 0.869 25411 7704 1 15 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.839 -0.612 25411 7705 1 15 . 1 1 9 9 GLU H H 9 7.690 7.690 8.463 -0.773 25411 7706 1 15 . 1 1 10 10 ARG N N 10 118.753 118.753 120.148 -1.395 25411 7707 1 15 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.033 0.066 25411 7708 1 15 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.538 -1.317 25411 7709 1 15 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.082 -0.987 25411 7710 1 15 . 1 1 10 10 ARG H H 10 8.928 8.928 8.275 0.653 25411 7711 1 15 . 1 1 11 11 TYR N N 11 121.288 121.288 119.472 1.816 25411 7712 1 15 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.233 -0.044 25411 7713 1 15 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.319 -1.083 25411 7714 1 15 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.438 -0.577 25411 7715 1 15 . 1 1 11 11 TYR H H 11 7.562 7.562 8.508 -0.946 25411 7716 1 15 . 1 1 12 12 VAL N N 12 119.304 119.304 119.251 0.053 25411 7717 1 15 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.620 -0.537 25411 7718 1 15 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.696 0.139 25411 7719 1 15 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.855 -0.756 25411 7720 1 15 . 1 1 12 12 VAL H H 12 8.075 8.075 7.766 0.309 25411 7721 1 15 . 1 1 13 13 GLU N N 13 119.685 119.685 120.628 -0.943 25411 7722 1 15 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.048 0.107 25411 7723 1 15 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.266 0.159 25411 7724 1 15 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.164 0.024 25411 7725 1 15 . 1 1 13 13 GLU H H 13 8.278 8.278 8.005 0.273 25411 7726 1 15 . 1 1 14 14 GLN N N 14 119.682 119.682 119.946 -0.264 25411 7727 1 15 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.047 -0.391 25411 7728 1 15 . 1 1 14 14 GLN CA C 14 59.969 59.969 59.061 0.908 25411 7729 1 15 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.337 1.336 25411 7730 1 15 . 1 1 14 14 GLN H H 14 7.653 7.653 8.371 -0.718 25411 7731 1 15 . 1 1 15 15 LEU N N 15 121.000 121.000 120.109 0.891 25411 7732 1 15 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.057 -0.136 25411 7733 1 15 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.706 0.750 25411 7734 1 15 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.219 -0.459 25411 7735 1 15 . 1 1 15 15 LEU H H 15 8.402 8.402 8.594 -0.192 25411 7736 1 15 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.885 -0.189 25411 7737 1 15 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.229 0.029 25411 7738 1 15 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.273 -0.138 25411 7739 1 15 . 1 1 17 17 GLN N N 17 117.558 117.558 118.433 -0.875 25411 7740 1 15 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.076 -0.189 25411 7741 1 15 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.697 -0.255 25411 7742 1 15 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.757 -0.712 25411 7743 1 15 . 1 1 17 17 GLN H H 17 7.849 7.849 8.082 -0.233 25411 7744 1 15 . 1 1 18 18 ALA N N 18 120.288 120.288 123.187 -2.899 25411 7745 1 15 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.176 -0.388 25411 7746 1 15 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.895 -0.002 25411 7747 1 15 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.643 -1.247 25411 7748 1 15 . 1 1 18 18 ALA H H 18 8.504 8.504 8.420 0.084 25411 7749 1 15 . 1 1 19 19 LEU N N 19 116.974 116.974 118.328 -1.354 25411 7750 1 15 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.066 -0.307 25411 7751 1 15 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.944 0.608 25411 7752 1 15 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.757 -1.064 25411 7753 1 15 . 1 1 19 19 LEU H H 19 8.143 8.143 8.504 -0.361 25411 7754 1 15 . 1 1 20 20 LYS N N 20 117.776 117.776 121.764 -3.988 25411 7755 1 15 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.044 -0.089 25411 7756 1 15 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.778 -0.234 25411 7757 1 15 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.390 -1.904 25411 7758 1 15 . 1 1 20 20 LYS H H 20 8.340 8.340 8.149 0.191 25411 7759 1 15 . 1 1 21 21 THR N N 21 116.373 116.373 112.165 4.208 25411 7760 1 15 . 1 1 21 21 THR HA H 21 4.107 4.107 4.233 -0.126 25411 7761 1 15 . 1 1 21 21 THR CA C 21 64.611 64.611 64.475 0.136 25411 7762 1 15 . 1 1 21 21 THR CB C 21 68.811 68.811 68.421 0.390 25411 7763 1 15 . 1 1 21 21 THR H H 21 7.302 7.302 7.982 -0.680 25411 7764 1 15 . 1 1 22 22 ARG N N 22 118.647 118.647 119.221 -0.574 25411 7765 1 15 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.463 -0.101 25411 7766 1 15 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.756 -1.691 25411 7767 1 15 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.075 -1.547 25411 7768 1 15 . 1 1 22 22 ARG H H 22 7.290 7.290 7.542 -0.252 25411 7769 1 15 . 1 1 23 23 GLY N N 23 108.637 108.637 107.881 0.756 25411 7770 1 15 . 1 1 23 23 GLY CA C 23 46.112 46.112 46.152 -0.040 25411 7771 1 15 . 1 1 23 23 GLY H H 23 7.881 7.881 7.585 0.296 25411 7772 1 15 . 1 1 24 24 VAL N N 24 117.390 117.390 118.879 -1.489 25411 7773 1 15 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.751 0.263 25411 7774 1 15 . 1 1 24 24 VAL CA C 24 61.668 61.668 64.925 -3.257 25411 7775 1 15 . 1 1 24 24 VAL CB C 24 32.372 32.372 32.109 0.263 25411 7776 1 15 . 1 1 24 24 VAL H H 24 7.333 7.333 7.609 -0.276 25411 7777 1 15 . 1 1 25 25 LYS N N 25 127.322 127.322 114.869 12.453 25411 7778 1 15 . 1 1 25 25 LYS HA H 25 4.332 4.332 4.318 0.014 25411 7779 1 15 . 1 1 25 25 LYS CA C 25 55.762 55.762 56.069 -0.307 25411 7780 1 15 . 1 1 25 25 LYS CB C 25 31.761 31.761 32.587 -0.826 25411 7781 1 15 . 1 1 25 25 LYS H H 25 8.722 8.722 7.630 1.092 25411 7782 1 15 . 1 1 26 26 VAL N N 26 120.568 120.568 120.831 -0.263 25411 7783 1 15 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.219 -0.141 25411 7784 1 15 . 1 1 26 26 VAL CA C 26 60.665 60.665 62.131 -1.466 25411 7785 1 15 . 1 1 26 26 VAL CB C 26 33.647 33.647 31.976 1.671 25411 7786 1 15 . 1 1 26 26 VAL H H 26 7.119 7.119 8.339 -1.220 25411 7787 1 15 . 1 1 27 27 LYS N N 27 125.675 125.675 127.835 -2.160 25411 7788 1 15 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.414 -0.088 25411 7789 1 15 . 1 1 27 27 LYS CA C 27 55.411 55.411 54.725 0.686 25411 7790 1 15 . 1 1 27 27 LYS CB C 27 31.959 31.959 35.741 -3.782 25411 7791 1 15 . 1 1 27 27 LYS H H 27 8.570 8.570 8.251 0.319 25411 7792 1 15 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.459 -0.442 25411 7793 1 15 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.752 -2.340 25411 7794 1 15 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.576 2.264 25411 7795 1 15 . 1 1 29 29 ALA N N 29 120.743 120.743 127.306 -6.563 25411 7796 1 15 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.161 -0.493 25411 7797 1 15 . 1 1 29 29 ALA CA C 29 54.678 54.678 54.687 -0.009 25411 7798 1 15 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.986 -0.986 25411 7799 1 15 . 1 1 29 29 ALA H H 29 8.323 8.323 8.800 -0.477 25411 7800 1 15 . 1 1 30 30 ASP N N 30 117.202 117.202 118.767 -1.565 25411 7801 1 15 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.495 -0.213 25411 7802 1 15 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.477 0.076 25411 7803 1 15 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.465 0.342 25411 7804 1 15 . 1 1 30 30 ASP H H 30 6.872 6.872 8.648 -1.776 25411 7805 1 15 . 1 1 31 31 LEU N N 31 122.273 122.273 119.652 2.621 25411 7806 1 15 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.397 -0.851 25411 7807 1 15 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.894 -0.169 25411 7808 1 15 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.268 -1.610 25411 7809 1 15 . 1 1 31 31 LEU H H 31 7.433 7.433 7.696 -0.263 25411 7810 1 15 . 1 1 32 32 LEU N N 32 123.376 123.376 119.521 3.855 25411 7811 1 15 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.277 -0.662 25411 7812 1 15 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.371 -0.275 25411 7813 1 15 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.814 -1.272 25411 7814 1 15 . 1 1 32 32 LEU H H 32 8.727 8.727 7.829 0.898 25411 7815 1 15 . 1 1 33 33 LYS N N 33 118.078 118.078 119.827 -1.749 25411 7816 1 15 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.241 -0.028 25411 7817 1 15 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.850 -0.752 25411 7818 1 15 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.008 -0.118 25411 7819 1 15 . 1 1 33 33 LYS H H 33 7.149 7.149 7.517 -0.368 25411 7820 1 15 . 1 1 34 34 PHE N N 34 117.398 117.398 120.546 -3.148 25411 7821 1 15 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.828 -5.133 25411 7822 1 15 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.144 2.075 25411 7823 1 15 . 1 1 34 34 PHE H H 34 7.633 7.633 8.442 -0.809 25411 7824 1 15 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.096 -0.303 25411 7825 1 15 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.895 -0.303 25411 7826 1 15 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.353 -2.339 25411 7827 1 15 . 1 1 36 36 ASP N N 36 120.136 120.136 119.674 0.462 25411 7828 1 15 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.448 -0.352 25411 7829 1 15 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.732 -0.791 25411 7830 1 15 . 1 1 36 36 ASP CB C 36 39.104 39.104 41.029 -1.925 25411 7831 1 15 . 1 1 36 36 ASP H H 36 8.330 8.330 8.822 -0.492 25411 7832 1 15 . 1 1 37 37 PHE N N 37 121.883 121.883 118.927 2.956 25411 7833 1 15 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.440 -0.182 25411 7834 1 15 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.978 -2.280 25411 7835 1 15 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.386 0.799 25411 7836 1 15 . 1 1 37 37 PHE H H 37 7.794 7.794 8.440 -0.646 25411 7837 1 15 . 1 1 38 38 VAL N N 38 118.525 118.525 119.563 -1.038 25411 7838 1 15 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.507 -0.468 25411 7839 1 15 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.073 0.809 25411 7840 1 15 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.291 -0.603 25411 7841 1 15 . 1 1 38 38 VAL H H 38 8.262 8.262 7.740 0.522 25411 7842 1 15 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.872 -0.416 25411 7843 1 15 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.210 -0.156 25411 7844 1 15 . 1 1 39 39 LYS CB C 39 31.696 31.696 32.038 -0.342 25411 7845 1 15 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.365 0.080 25411 7846 1 15 . 1 1 40 40 ASP CA C 40 56.985 56.985 55.983 1.002 25411 7847 1 15 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.155 -0.463 25411 7848 1 15 . 1 1 41 41 ILE N N 41 120.641 120.641 118.838 1.803 25411 7849 1 15 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.257 -0.232 25411 7850 1 15 . 1 1 41 41 ILE CA C 41 61.652 61.652 65.081 -3.429 25411 7851 1 15 . 1 1 41 41 ILE CB C 41 38.064 38.064 39.261 -1.197 25411 7852 1 15 . 1 1 41 41 ILE H H 41 8.788 8.788 8.166 0.622 25411 7853 1 15 . 1 1 42 42 CYS N N 42 117.896 117.896 116.568 1.328 25411 7854 1 15 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.687 0.485 25411 7855 1 15 . 1 1 42 42 CYS CB C 42 28.324 28.324 29.596 -1.272 25411 7856 1 15 . 1 1 42 42 CYS H H 42 7.180 7.180 7.477 -0.297 25411 7857 1 15 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.041 0.274 25411 7858 1 15 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.456 0.547 25411 7859 1 15 . 1 1 43 43 PRO CB C 43 30.715 30.715 30.941 -0.226 25411 7860 1 15 . 1 1 44 44 TRP N N 44 113.823 113.823 115.672 -1.849 25411 7861 1 15 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.262 0.043 25411 7862 1 15 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.690 -2.292 25411 7863 1 15 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.215 -1.404 25411 7864 1 15 . 1 1 44 44 TRP H H 44 6.591 6.591 7.562 -0.971 25411 7865 1 15 . 1 1 45 45 PHE N N 45 123.100 123.100 115.283 7.817 25411 7866 1 15 . 1 1 45 45 PHE HA H 45 4.001 4.001 4.988 -0.987 25411 7867 1 15 . 1 1 45 45 PHE CA C 45 62.809 62.809 55.071 7.738 25411 7868 1 15 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.665 -3.730 25411 7869 1 15 . 1 1 45 45 PHE H H 45 7.239 7.239 7.928 -0.689 25411 7870 1 15 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.403 -0.391 25411 7871 1 15 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.197 0.334 25411 7872 1 15 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.919 -1.432 25411 7873 1 15 . 1 1 47 47 GLN N N 47 114.502 114.502 118.237 -3.735 25411 7874 1 15 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.152 -0.215 25411 7875 1 15 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.001 0.403 25411 7876 1 15 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.581 0.739 25411 7877 1 15 . 1 1 47 47 GLN H H 47 6.518 6.518 8.317 -1.799 25411 7878 1 15 . 1 1 48 48 GLU N N 48 117.358 117.358 119.301 -1.943 25411 7879 1 15 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.160 -0.122 25411 7880 1 15 . 1 1 48 48 GLU CA C 48 58.172 58.172 57.424 0.748 25411 7881 1 15 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.213 -1.259 25411 7882 1 15 . 1 1 48 48 GLU H H 48 7.318 7.318 7.719 -0.401 25411 7883 1 15 . 1 1 49 49 GLY N N 49 105.534 105.534 108.406 -2.872 25411 7884 1 15 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.717 1.586 25411 7885 1 15 . 1 1 49 49 GLY H H 49 7.296 7.296 7.950 -0.654 25411 7886 1 15 . 1 1 50 50 THR N N 50 114.069 114.069 113.018 1.051 25411 7887 1 15 . 1 1 50 50 THR HA H 50 4.234 4.234 4.331 -0.097 25411 7888 1 15 . 1 1 50 50 THR CA C 50 61.683 61.683 60.678 1.005 25411 7889 1 15 . 1 1 50 50 THR CB C 50 70.718 70.718 70.492 0.226 25411 7890 1 15 . 1 1 50 50 THR H H 50 7.597 7.597 7.819 -0.222 25411 7891 1 15 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.281 -0.156 25411 7892 1 15 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.169 -1.299 25411 7893 1 15 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.607 -4.319 25411 7894 1 15 . 1 1 52 52 ASP N N 52 121.791 121.791 123.423 -1.632 25411 7895 1 15 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.909 -0.286 25411 7896 1 15 . 1 1 52 52 ASP CA C 52 51.732 51.732 53.445 -1.713 25411 7897 1 15 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.835 -2.374 25411 7898 1 15 . 1 1 52 52 ASP H H 52 7.168 7.168 8.226 -1.058 25411 7899 1 15 . 1 1 53 53 ILE N N 53 119.537 119.537 119.160 0.377 25411 7900 1 15 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.701 -0.566 25411 7901 1 15 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.262 -0.466 25411 7902 1 15 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.282 -1.467 25411 7903 1 15 . 1 1 53 53 ILE H H 53 8.336 8.336 8.666 -0.330 25411 7904 1 15 . 1 1 54 54 LYS N N 54 123.592 123.592 122.051 1.541 25411 7905 1 15 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.311 -0.206 25411 7906 1 15 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.239 -0.267 25411 7907 1 15 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.231 -0.483 25411 7908 1 15 . 1 1 54 54 LYS H H 54 8.104 8.104 8.528 -0.424 25411 7909 1 15 . 1 1 55 55 ARG N N 55 120.511 120.511 119.430 1.081 25411 7910 1 15 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.212 0.089 25411 7911 1 15 . 1 1 55 55 ARG CA C 55 59.903 59.903 58.950 0.953 25411 7912 1 15 . 1 1 55 55 ARG CB C 55 30.056 30.056 29.680 0.376 25411 7913 1 15 . 1 1 55 55 ARG H H 55 9.196 9.196 8.538 0.658 25411 7914 1 15 . 1 1 56 56 TRP N N 56 120.681 120.681 123.226 -2.545 25411 7915 1 15 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.586 0.117 25411 7916 1 15 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.051 -0.645 25411 7917 1 15 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.156 0.858 25411 7918 1 15 . 1 1 56 56 TRP H H 56 8.899 8.899 8.600 0.299 25411 7919 1 15 . 1 1 57 57 ARG N N 57 122.115 122.115 119.126 2.989 25411 7920 1 15 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.220 1.187 25411 7921 1 15 . 1 1 57 57 ARG CA C 57 60.027 60.027 58.303 1.724 25411 7922 1 15 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.538 0.248 25411 7923 1 15 . 1 1 57 57 ARG H H 57 9.210 9.210 8.037 1.173 25411 7924 1 15 . 1 1 58 58 ARG N N 58 120.918 120.918 119.563 1.355 25411 7925 1 15 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.715 0.130 25411 7926 1 15 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.136 -0.407 25411 7927 1 15 . 1 1 58 58 ARG H H 58 7.640 7.640 7.723 -0.083 25411 7928 1 15 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.743 0.021 25411 7929 1 15 . 1 1 59 59 VAL CA C 59 66.000 66.000 66.162 -0.162 25411 7930 1 15 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.494 -0.662 25411 7931 1 15 . 1 1 59 59 VAL H H 59 7.916 7.916 7.617 0.299 25411 7932 1 15 . 1 1 60 60 GLY N N 60 106.856 106.856 107.039 -0.183 25411 7933 1 15 . 1 1 60 60 GLY CA C 60 46.081 46.081 46.898 -0.817 25411 7934 1 15 . 1 1 60 60 GLY H H 60 7.623 7.623 8.138 -0.515 25411 7935 1 15 . 1 1 61 61 ASP N N 61 123.308 123.308 122.206 1.102 25411 7936 1 15 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.230 -0.005 25411 7937 1 15 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.154 -0.354 25411 7938 1 15 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.739 -1.255 25411 7939 1 15 . 1 1 61 61 ASP H H 61 8.203 8.203 7.811 0.392 25411 7940 1 15 . 1 1 62 62 CYS N N 62 120.841 120.841 118.717 2.124 25411 7941 1 15 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.143 0.095 25411 7942 1 15 . 1 1 62 62 CYS CA C 62 62.950 62.950 63.846 -0.896 25411 7943 1 15 . 1 1 62 62 CYS CB C 62 26.503 26.503 27.089 -0.586 25411 7944 1 15 . 1 1 62 62 CYS H H 62 7.795 7.795 7.576 0.219 25411 7945 1 15 . 1 1 63 63 PHE N N 63 119.763 119.763 120.691 -0.928 25411 7946 1 15 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.205 0.073 25411 7947 1 15 . 1 1 63 63 PHE CA C 63 58.657 58.657 60.321 -1.663 25411 7948 1 15 . 1 1 63 63 PHE CB C 63 36.990 36.990 38.930 -1.940 25411 7949 1 15 . 1 1 63 63 PHE H H 63 8.647 8.647 7.917 0.730 25411 7950 1 15 . 1 1 64 64 GLN N N 64 118.578 118.578 119.180 -0.602 25411 7951 1 15 . 1 1 64 64 GLN HA H 64 4.308 4.308 3.783 0.525 25411 7952 1 15 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.661 0.672 25411 7953 1 15 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.337 0.242 25411 7954 1 15 . 1 1 64 64 GLN H H 64 8.261 8.261 8.376 -0.115 25411 7955 1 15 . 1 1 65 65 ASP N N 65 119.534 119.534 121.478 -1.944 25411 7956 1 15 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.315 0.169 25411 7957 1 15 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.346 -0.017 25411 7958 1 15 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.777 -1.106 25411 7959 1 15 . 1 1 65 65 ASP H H 65 8.338 8.338 8.283 0.055 25411 7960 1 15 . 1 1 66 66 TYR N N 66 123.600 123.600 121.906 1.694 25411 7961 1 15 . 1 1 66 66 TYR HA H 66 4.502 4.502 4.081 0.421 25411 7962 1 15 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.142 -0.911 25411 7963 1 15 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.507 -0.074 25411 7964 1 15 . 1 1 66 66 TYR H H 66 7.804 7.804 8.044 -0.240 25411 7965 1 15 . 1 1 67 67 TYR N N 67 122.825 122.825 118.716 4.109 25411 7966 1 15 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.724 0.273 25411 7967 1 15 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.882 0.021 25411 7968 1 15 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.325 0.621 25411 7969 1 15 . 1 1 67 67 TYR H H 67 9.100 9.100 8.346 0.754 25411 7970 1 15 . 1 1 68 68 ASN N N 68 118.826 118.826 116.346 2.480 25411 7971 1 15 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.543 -0.260 25411 7972 1 15 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.248 0.184 25411 7973 1 15 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.560 -0.684 25411 7974 1 15 . 1 1 68 68 ASN H H 68 8.853 8.853 8.554 0.299 25411 7975 1 15 . 1 1 69 69 THR N N 69 114.242 114.242 114.379 -0.137 25411 7976 1 15 . 1 1 69 69 THR HA H 69 3.837 3.837 3.877 -0.040 25411 7977 1 15 . 1 1 69 69 THR CA C 69 65.328 65.328 66.009 -0.681 25411 7978 1 15 . 1 1 69 69 THR CB C 69 69.249 69.249 68.439 0.810 25411 7979 1 15 . 1 1 69 69 THR H H 69 7.847 7.847 7.862 -0.015 25411 7980 1 15 . 1 1 70 70 PHE N N 70 117.970 117.970 116.551 1.419 25411 7981 1 15 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.616 -0.052 25411 7982 1 15 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.891 0.351 25411 7983 1 15 . 1 1 70 70 PHE CB C 70 41.074 41.074 39.429 1.645 25411 7984 1 15 . 1 1 70 70 PHE H H 70 8.489 8.489 7.319 1.170 25411 7985 1 15 . 1 1 71 71 GLY N N 71 109.516 109.516 107.443 2.073 25411 7986 1 15 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.751 0.281 25411 7987 1 15 . 1 1 71 71 GLY H H 71 7.968 7.968 7.900 0.068 25411 7988 1 15 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.430 0.281 25411 7989 1 15 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.523 0.774 25411 7990 1 15 . 1 1 72 72 PRO CB C 72 31.744 31.744 32.415 -0.671 25411 7991 1 15 . 1 1 73 73 GLU N N 73 117.720 117.720 123.004 -5.284 25411 7992 1 15 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.213 -0.314 25411 7993 1 15 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.148 0.588 25411 7994 1 15 . 1 1 73 73 GLU CB C 73 28.863 28.863 30.048 -1.185 25411 7995 1 15 . 1 1 73 73 GLU H H 73 8.586 8.586 8.565 0.021 25411 7996 1 15 . 1 1 74 74 LYS N N 74 116.974 116.974 118.358 -1.384 25411 7997 1 15 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.553 -0.164 25411 7998 1 15 . 1 1 74 74 LYS CA C 74 55.185 55.185 56.321 -1.136 25411 7999 1 15 . 1 1 74 74 LYS CB C 74 34.087 34.087 34.064 0.023 25411 8000 1 15 . 1 1 74 74 LYS H H 74 7.505 7.505 8.137 -0.632 25411 8001 1 15 . 1 1 75 75 VAL N N 75 117.309 117.309 122.262 -4.953 25411 8002 1 15 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.385 -0.072 25411 8003 1 15 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.367 1.677 25411 8004 1 15 . 1 1 75 75 VAL CB C 75 31.984 31.984 33.115 -1.131 25411 8005 1 15 . 1 1 75 75 VAL H H 75 7.402 7.402 8.028 -0.626 25411 8006 1 15 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.576 -0.014 25411 8007 1 15 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.730 -1.043 25411 8008 1 15 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.635 -0.904 25411 8009 1 15 . 1 1 77 77 VAL N N 77 120.870 120.870 122.068 -1.198 25411 8010 1 15 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.143 -0.315 25411 8011 1 15 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.075 1.763 25411 8012 1 15 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.130 -0.743 25411 8013 1 15 . 1 1 77 77 VAL H H 77 8.473 8.473 8.715 -0.242 25411 8014 1 15 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.793 0.059 25411 8015 1 15 . 1 1 78 78 ILE CA C 78 61.125 61.125 63.943 -2.818 25411 8016 1 15 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.895 0.240 25411 8017 1 15 . 1 1 78 78 ILE H H 78 8.388 8.388 8.053 0.335 25411 8018 1 15 . 1 1 79 79 ALA N N 79 123.960 123.960 123.543 0.417 25411 8019 1 15 . 1 1 79 79 ALA HA H 79 3.890 3.890 2.507 1.383 25411 8020 1 15 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.062 0.827 25411 8021 1 15 . 1 1 79 79 ALA CB C 79 17.623 17.623 17.972 -0.349 25411 8022 1 15 . 1 1 79 79 ALA H H 79 7.953 7.953 7.539 0.414 25411 8023 1 15 . 1 1 80 80 PHE N N 80 114.330 114.330 115.035 -0.705 25411 8024 1 15 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.441 -0.010 25411 8025 1 15 . 1 1 80 80 PHE CA C 80 61.312 61.312 60.027 1.285 25411 8026 1 15 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.174 -1.518 25411 8027 1 15 . 1 1 80 80 PHE H H 80 7.499 7.499 7.946 -0.447 25411 8028 1 15 . 1 1 81 81 SER N N 81 115.971 115.971 114.049 1.922 25411 8029 1 15 . 1 1 81 81 SER HA H 81 4.206 4.206 4.456 -0.250 25411 8030 1 15 . 1 1 81 81 SER CA C 81 58.432 58.432 59.184 -0.751 25411 8031 1 15 . 1 1 81 81 SER CB C 81 63.575 63.575 63.861 -0.286 25411 8032 1 15 . 1 1 81 81 SER H H 81 8.225 8.225 7.679 0.546 25411 8033 1 15 . 1 1 82 82 TYR N N 82 121.997 121.997 122.238 -0.241 25411 8034 1 15 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.421 0.026 25411 8035 1 15 . 1 1 82 82 TYR CA C 82 55.885 55.885 58.615 -2.731 25411 8036 1 15 . 1 1 82 82 TYR CB C 82 37.838 37.838 37.463 0.375 25411 8037 1 15 . 1 1 82 82 TYR H H 82 8.378 8.378 7.410 0.968 25411 8038 1 15 . 1 1 83 83 TRP N N 83 120.268 120.268 121.975 -1.707 25411 8039 1 15 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.551 -5.158 25411 8040 1 15 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.782 -0.888 25411 8041 1 15 . 1 1 83 83 TRP H H 83 8.546 8.546 8.857 -0.311 25411 8042 1 15 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.249 -0.029 25411 8043 1 15 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.783 -0.154 25411 8044 1 15 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.748 1.317 25411 8045 1 15 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.141 -0.095 25411 8046 1 15 . 1 1 85 85 LEU CA C 85 58.142 58.142 56.852 1.290 25411 8047 1 15 . 1 1 85 85 LEU CB C 85 41.692 41.692 42.118 -0.426 25411 8048 1 15 . 1 1 86 86 ILE N N 86 117.000 117.000 120.137 -3.137 25411 8049 1 15 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.441 0.005 25411 8050 1 15 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.695 -2.412 25411 8051 1 15 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.097 -1.685 25411 8052 1 15 . 1 1 86 86 ILE H H 86 7.882 7.882 7.729 0.153 25411 8053 1 15 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.767 -0.541 25411 8054 1 15 . 1 1 87 87 LYS CA C 87 59.996 59.996 58.941 1.055 25411 8055 1 15 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.509 -0.459 25411 8056 1 15 . 1 1 88 88 GLU N N 88 116.404 116.404 118.045 -1.641 25411 8057 1 15 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.345 -0.498 25411 8058 1 15 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.376 0.535 25411 8059 1 15 . 1 1 88 88 GLU CB C 88 28.969 28.969 28.965 0.004 25411 8060 1 15 . 1 1 88 88 GLU H H 88 7.689 7.689 7.651 0.038 25411 8061 1 15 . 1 1 89 89 LEU N N 89 118.193 118.193 121.019 -2.826 25411 8062 1 15 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.127 -0.238 25411 8063 1 15 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.764 1.200 25411 8064 1 15 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.002 -0.702 25411 8065 1 15 . 1 1 89 89 LEU H H 89 7.415 7.415 7.588 -0.173 25411 8066 1 15 . 1 1 90 90 ILE N N 90 115.471 115.471 120.341 -4.870 25411 8067 1 15 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.679 -0.261 25411 8068 1 15 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.142 0.766 25411 8069 1 15 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.636 -0.042 25411 8070 1 15 . 1 1 90 90 ILE H H 90 7.718 7.718 7.491 0.227 25411 8071 1 15 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.527 -0.807 25411 8072 1 15 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.837 0.827 25411 8073 1 15 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.117 0.415 25411 8074 1 15 . 1 1 92 92 LYS N N 92 119.253 119.253 118.627 0.626 25411 8075 1 15 . 1 1 92 92 LYS CA C 92 58.897 58.897 55.883 3.014 25411 8076 1 15 . 1 1 92 92 LYS CB C 92 31.988 31.988 31.593 0.395 25411 8077 1 15 . 1 1 92 92 LYS H H 92 7.869 7.869 7.671 0.198 25411 8078 1 15 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.067 0.464 25411 8079 1 15 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.935 -3.677 25411 8080 1 15 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.785 0.384 25411 8081 1 15 . 1 1 94 94 GLU N N 94 116.729 116.729 120.748 -4.019 25411 8082 1 15 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.082 0.051 25411 8083 1 15 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.064 0.255 25411 8084 1 15 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.229 -1.853 25411 8085 1 15 . 1 1 94 94 GLU H H 94 8.393 8.393 7.732 0.661 25411 8086 1 15 . 1 1 95 95 VAL N N 95 121.696 121.696 117.241 4.455 25411 8087 1 15 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.839 0.643 25411 8088 1 15 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.711 3.010 25411 8089 1 15 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.431 1.463 25411 8090 1 15 . 1 1 95 95 VAL H H 95 7.923 7.923 7.748 0.175 25411 8091 1 15 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.635 -0.277 25411 8092 1 15 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.124 0.483 25411 8093 1 15 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.771 -0.897 25411 8094 1 15 . 1 1 98 98 GLN N N 98 117.731 117.731 119.344 -1.613 25411 8095 1 15 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.015 -0.090 25411 8096 1 15 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.817 -0.209 25411 8097 1 15 . 1 1 98 98 GLN CB C 98 28.521 28.521 28.251 0.270 25411 8098 1 15 . 1 1 98 98 GLN H H 98 8.359 8.359 8.643 -0.284 25411 8099 1 15 . 1 1 99 99 VAL N N 99 121.326 121.326 117.740 3.586 25411 8100 1 15 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.721 -0.301 25411 8101 1 15 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.287 1.117 25411 8102 1 15 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.379 0.240 25411 8103 1 15 . 1 1 99 99 VAL H H 99 7.901 7.901 8.111 -0.210 25411 8104 1 15 . 1 1 100 100 MET N N 100 120.447 120.447 116.360 4.087 25411 8105 1 15 . 1 1 100 100 MET HA H 100 3.812 3.812 4.363 -0.551 25411 8106 1 15 . 1 1 100 100 MET CA C 100 59.297 59.297 58.001 1.296 25411 8107 1 15 . 1 1 100 100 MET CB C 100 32.099 32.099 33.210 -1.111 25411 8108 1 15 . 1 1 100 100 MET H H 100 7.509 7.509 7.583 -0.074 25411 8109 1 15 . 1 1 101 101 ALA N N 101 119.458 119.458 121.525 -2.067 25411 8110 1 15 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.223 -0.013 25411 8111 1 15 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.435 0.317 25411 8112 1 15 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.504 -0.983 25411 8113 1 15 . 1 1 101 101 ALA H H 101 7.889 7.889 7.568 0.321 25411 8114 1 15 . 1 1 102 102 ALA N N 102 119.627 119.627 120.919 -1.292 25411 8115 1 15 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.086 -0.093 25411 8116 1 15 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.399 0.489 25411 8117 1 15 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.321 -0.977 25411 8118 1 15 . 1 1 102 102 ALA H H 102 7.563 7.563 8.350 -0.787 25411 8119 1 15 . 1 1 103 103 VAL N N 103 122.690 122.690 118.545 4.145 25411 8120 1 15 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.844 0.229 25411 8121 1 15 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.376 -3.691 25411 8122 1 15 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.712 1.510 25411 8123 1 15 . 1 1 103 103 VAL H H 103 8.828 8.828 7.977 0.851 25411 8124 1 15 . 1 1 104 104 ALA N N 104 128.041 128.041 118.862 9.179 25411 8125 1 15 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.161 0.108 25411 8126 1 15 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.245 -2.104 25411 8127 1 15 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.333 0.607 25411 8128 1 15 . 1 1 104 104 ALA H H 104 8.367 8.367 7.533 0.834 25411 8129 1 15 . 1 1 105 105 GLN N N 105 120.265 120.265 116.147 4.118 25411 8130 1 15 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.648 0.283 25411 8131 1 15 . 1 1 105 105 GLN CB C 105 29.020 29.020 30.595 -1.575 25411 8132 1 15 . 1 1 105 105 GLN H H 105 8.356 8.356 7.882 0.474 25411 8133 1 15 . 1 1 106 106 THR HA H 106 4.320 4.320 4.135 0.185 25411 8134 1 15 . 1 1 106 106 THR CA C 106 61.346 61.346 65.464 -4.118 25411 8135 1 15 . 1 1 106 106 THR CB C 106 69.293 69.293 69.073 0.220 25411 8136 1 15 . 1 1 107 107 GLU N N 107 122.706 122.706 119.432 3.274 25411 8137 1 15 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.430 -0.248 25411 8138 1 15 . 1 1 107 107 GLU CA C 107 56.576 56.576 57.201 -0.625 25411 8139 1 15 . 1 1 107 107 GLU CB C 107 29.936 29.936 31.825 -1.889 25411 8140 1 15 . 1 1 107 107 GLU H H 107 8.404 8.404 7.513 0.891 25411 8141 1 15 . 1 1 108 108 GLU N N 108 122.034 122.034 116.141 5.893 25411 8142 1 15 . 1 1 108 108 GLU HA H 108 4.161 4.161 3.975 0.186 25411 8143 1 15 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.093 -0.444 25411 8144 1 15 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.545 0.131 25411 8145 1 15 . 1 1 108 108 GLU H H 108 7.341 7.341 7.653 -0.312 25411 8146 1 15 . 1 1 109 109 ILE N N 109 122.151 122.151 114.780 7.371 25411 8147 1 15 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.285 -0.238 25411 8148 1 15 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.002 -0.437 25411 8149 1 15 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.391 -0.286 25411 8150 1 15 . 1 1 109 109 ILE H H 109 8.058 8.058 8.637 -0.579 25411 8151 1 15 . 1 1 110 110 LEU N N 110 122.427 122.427 122.446 -0.019 25411 8152 1 15 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.098 0.178 25411 8153 1 15 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.816 -1.665 25411 8154 1 15 . 1 1 110 110 LEU CB C 110 32.255 32.255 41.667 -9.412 25411 8155 1 15 . 1 1 110 110 LEU H H 110 8.194 8.194 8.076 0.118 25411 8156 1 15 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.075 0.172 25411 8157 1 15 . 1 1 111 111 LYS CA C 111 56.137 56.137 58.567 -2.430 25411 8158 1 15 . 1 1 111 111 LYS CB C 111 32.569 32.569 31.901 0.668 25411 8159 1 15 . 1 1 112 112 SER N N 112 116.453 116.453 110.529 5.924 25411 8160 1 15 . 1 1 112 112 SER HA H 112 4.175 4.175 4.048 0.127 25411 8161 1 15 . 1 1 112 112 SER CA C 112 58.311 58.311 60.444 -2.133 25411 8162 1 15 . 1 1 112 112 SER CB C 112 63.441 63.441 62.412 1.029 25411 8163 1 15 . 1 1 112 112 SER H H 112 8.204 8.204 8.213 -0.009 25411 8164 1 15 . 1 1 113 113 ASN N N 113 119.747 119.747 115.952 3.795 25411 8165 1 15 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.812 -0.168 25411 8166 1 15 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.257 1.388 25411 8167 1 15 . 1 1 113 113 ASN CB C 113 38.646 38.646 39.514 -0.868 25411 8168 1 15 . 1 1 113 113 ASN H H 113 7.944 7.944 7.418 0.526 25411 8169 1 15 . 1 1 114 114 SER N N 114 115.433 115.433 115.123 0.310 25411 8170 1 15 . 1 1 114 114 SER HA H 114 4.336 4.336 4.477 -0.141 25411 8171 1 15 . 1 1 114 114 SER CA C 114 58.711 58.711 59.667 -0.956 25411 8172 1 15 . 1 1 114 114 SER CB C 114 63.308 63.308 61.841 1.467 25411 8173 1 15 . 1 1 114 114 SER H H 114 7.962 7.962 8.574 -0.612 25411 8174 1 15 . 1 1 115 115 GLN N N 115 121.682 121.682 119.418 2.264 25411 8175 1 15 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.728 -0.454 25411 8176 1 15 . 1 1 115 115 GLN CA C 115 56.193 56.193 54.899 1.294 25411 8177 1 15 . 1 1 115 115 GLN CB C 115 28.807 28.807 31.291 -2.484 25411 8178 1 15 . 1 1 115 115 GLN H H 115 8.207 8.207 8.157 0.050 25411 8179 1 15 . 1 1 116 116 THR N N 116 114.715 114.715 109.187 5.528 25411 8180 1 15 . 1 1 116 116 THR HA H 116 4.225 4.225 4.725 -0.500 25411 8181 1 15 . 1 1 116 116 THR CA C 116 62.109 62.109 59.203 2.906 25411 8182 1 15 . 1 1 116 116 THR CB C 116 69.336 69.336 72.035 -2.699 25411 8183 1 15 . 1 1 116 116 THR H H 116 8.062 8.062 7.807 0.255 25411 8184 1 15 . 1 1 117 117 ASP N N 117 122.602 122.602 121.452 1.150 25411 8185 1 15 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.189 0.379 25411 8186 1 15 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.574 -2.370 25411 8187 1 15 . 1 1 117 117 ASP CB C 117 40.665 40.665 39.963 0.702 25411 8188 1 15 . 1 1 117 117 ASP H H 117 8.065 8.065 8.687 -0.622 25411 8189 1 15 . 1 1 118 118 LEU N N 118 122.140 122.140 118.818 3.322 25411 8190 1 15 . 1 1 118 118 LEU HA H 118 4.155 4.155 3.808 0.347 25411 8191 1 15 . 1 1 118 118 LEU CA C 118 55.423 55.423 55.606 -0.183 25411 8192 1 15 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.756 0.117 25411 8193 1 15 . 1 1 118 118 LEU H H 118 8.085 8.085 7.820 0.265 25411 8194 1 15 . 1 1 119 119 GLU N N 119 119.672 119.672 116.119 3.553 25411 8195 1 15 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.622 0.446 25411 8196 1 15 . 1 1 119 119 GLU CA C 119 56.565 56.565 58.074 -1.508 25411 8197 1 15 . 1 1 119 119 GLU CB C 119 29.572 29.572 28.345 1.227 25411 8198 1 15 . 1 1 119 119 GLU H H 119 8.143 8.143 7.841 0.302 25411 8199 1 15 . 1 1 120 120 HIS N N 120 118.301 118.301 119.432 -1.131 25411 8200 1 15 . 1 1 120 120 HIS CA C 120 55.883 55.883 54.434 1.449 25411 8201 1 15 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.382 -0.112 25411 8202 1 15 . 1 1 120 120 HIS H H 120 8.107 8.107 7.852 0.255 25411 8203 1 15 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.143 -0.135 25411 8204 1 15 . 1 1 121 121 HIS CA C 121 55.166 55.166 56.488 -1.322 25411 8205 1 15 . 1 1 121 121 HIS CB C 121 28.759 28.759 26.929 1.830 25411 8206 1 15 . 1 1 122 122 HIS N N 122 122.407 122.407 120.355 2.052 25411 8207 1 15 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.879 -0.661 25411 8208 1 15 . 1 1 122 122 HIS CA C 122 56.081 56.081 53.778 2.303 25411 8209 1 15 . 1 1 122 122 HIS CB C 122 29.371 29.371 33.026 -3.655 25411 8210 1 15 . 1 1 122 122 HIS H H 122 8.489 8.489 8.064 0.425 25411 8211 1 15 . 1 1 123 123 HIS N N 123 122.868 122.868 121.161 1.707 25411 8212 1 15 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.493 -0.106 25411 8213 1 15 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.072 0.238 25411 8214 1 15 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.553 -0.051 25411 8215 1 15 . 1 1 123 123 HIS H H 123 8.596 8.596 8.872 -0.276 25411 8216 1 15 . 1 1 124 124 HIS N N 124 123.734 123.734 127.517 -3.783 25411 8217 1 15 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.857 -0.300 25411 8218 1 15 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.381 1.004 25411 8219 1 15 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.099 1.259 25411 8220 1 15 . 1 1 124 124 HIS H H 124 8.255 8.255 8.094 0.161 25411 8221 1 16 . 1 1 3 3 GLN N N 3 122.360 122.360 120.253 2.107 25411 8222 1 16 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.383 -0.495 25411 8223 1 16 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.650 2.092 25411 8224 1 16 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.927 -0.544 25411 8225 1 16 . 1 1 3 3 GLN H H 3 9.398 9.398 8.500 0.898 25411 8226 1 16 . 1 1 4 4 GLU N N 4 119.689 119.689 119.957 -0.268 25411 8227 1 16 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.190 0.484 25411 8228 1 16 . 1 1 4 4 GLU CA C 4 57.807 57.807 58.334 -0.527 25411 8229 1 16 . 1 1 4 4 GLU CB C 4 28.700 28.700 29.186 -0.486 25411 8230 1 16 . 1 1 4 4 GLU H H 4 7.464 7.464 8.831 -1.367 25411 8231 1 16 . 1 1 5 5 LEU N N 5 114.872 114.872 121.968 -7.096 25411 8232 1 16 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.120 -0.419 25411 8233 1 16 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.151 -0.413 25411 8234 1 16 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.972 -1.157 25411 8235 1 16 . 1 1 5 5 LEU H H 5 8.206 8.206 7.681 0.525 25411 8236 1 16 . 1 1 6 6 SER N N 6 109.762 109.762 113.313 -3.551 25411 8237 1 16 . 1 1 6 6 SER HA H 6 4.092 4.092 4.100 -0.008 25411 8238 1 16 . 1 1 6 6 SER CA C 6 60.415 60.415 62.016 -1.601 25411 8239 1 16 . 1 1 6 6 SER CB C 6 63.391 63.391 62.491 0.900 25411 8240 1 16 . 1 1 6 6 SER H H 6 8.253 8.253 8.304 -0.051 25411 8241 1 16 . 1 1 7 7 GLN N N 7 117.498 117.498 122.334 -4.836 25411 8242 1 16 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.186 -0.231 25411 8243 1 16 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.643 -0.218 25411 8244 1 16 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.705 0.034 25411 8245 1 16 . 1 1 7 7 GLN H H 7 8.673 8.673 7.873 0.800 25411 8246 1 16 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.419 -0.622 25411 8247 1 16 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.590 -0.534 25411 8248 1 16 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.114 -1.005 25411 8249 1 16 . 1 1 9 9 GLU N N 9 120.354 120.354 119.757 0.597 25411 8250 1 16 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.312 -0.353 25411 8251 1 16 . 1 1 9 9 GLU CA C 9 60.258 60.258 58.657 1.601 25411 8252 1 16 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.319 -0.092 25411 8253 1 16 . 1 1 9 9 GLU H H 9 7.690 7.690 8.500 -0.810 25411 8254 1 16 . 1 1 10 10 ARG N N 10 118.753 118.753 120.362 -1.609 25411 8255 1 16 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.044 0.055 25411 8256 1 16 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.550 -1.329 25411 8257 1 16 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.137 -1.042 25411 8258 1 16 . 1 1 10 10 ARG H H 10 8.928 8.928 7.979 0.949 25411 8259 1 16 . 1 1 11 11 TYR N N 11 121.288 121.288 119.491 1.797 25411 8260 1 16 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.294 -0.105 25411 8261 1 16 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.400 -1.164 25411 8262 1 16 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.303 -0.442 25411 8263 1 16 . 1 1 11 11 TYR H H 11 7.562 7.562 8.620 -1.058 25411 8264 1 16 . 1 1 12 12 VAL N N 12 119.304 119.304 119.602 -0.298 25411 8265 1 16 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.705 -0.622 25411 8266 1 16 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.279 0.556 25411 8267 1 16 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.769 -0.670 25411 8268 1 16 . 1 1 12 12 VAL H H 12 8.075 8.075 7.511 0.564 25411 8269 1 16 . 1 1 13 13 GLU N N 13 119.685 119.685 120.179 -0.494 25411 8270 1 16 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.015 0.140 25411 8271 1 16 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.361 0.064 25411 8272 1 16 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.204 -0.017 25411 8273 1 16 . 1 1 13 13 GLU H H 13 8.278 8.278 8.076 0.202 25411 8274 1 16 . 1 1 14 14 GLN N N 14 119.682 119.682 119.834 -0.152 25411 8275 1 16 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.033 -0.377 25411 8276 1 16 . 1 1 14 14 GLN CA C 14 59.969 59.969 59.039 0.930 25411 8277 1 16 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.617 1.056 25411 8278 1 16 . 1 1 14 14 GLN H H 14 7.653 7.653 8.199 -0.546 25411 8279 1 16 . 1 1 15 15 LEU N N 15 121.000 121.000 119.068 1.932 25411 8280 1 16 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.098 -0.177 25411 8281 1 16 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.316 1.139 25411 8282 1 16 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.141 -0.381 25411 8283 1 16 . 1 1 15 15 LEU H H 15 8.402 8.402 8.483 -0.081 25411 8284 1 16 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.884 -0.188 25411 8285 1 16 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.317 -0.059 25411 8286 1 16 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.305 -0.170 25411 8287 1 16 . 1 1 17 17 GLN N N 17 117.558 117.558 118.506 -0.948 25411 8288 1 16 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.089 -0.202 25411 8289 1 16 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.680 -0.238 25411 8290 1 16 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.792 -0.747 25411 8291 1 16 . 1 1 17 17 GLN H H 17 7.849 7.849 7.933 -0.084 25411 8292 1 16 . 1 1 18 18 ALA N N 18 120.288 120.288 123.240 -2.952 25411 8293 1 16 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.177 -0.389 25411 8294 1 16 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.887 0.006 25411 8295 1 16 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.646 -1.250 25411 8296 1 16 . 1 1 18 18 ALA H H 18 8.504 8.504 8.392 0.112 25411 8297 1 16 . 1 1 19 19 LEU N N 19 116.974 116.974 118.117 -1.143 25411 8298 1 16 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.054 -0.295 25411 8299 1 16 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.965 0.587 25411 8300 1 16 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.654 -0.961 25411 8301 1 16 . 1 1 19 19 LEU H H 19 8.143 8.143 8.418 -0.275 25411 8302 1 16 . 1 1 20 20 LYS N N 20 117.776 117.776 121.801 -4.025 25411 8303 1 16 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.087 -0.132 25411 8304 1 16 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.608 -0.063 25411 8305 1 16 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.391 -1.905 25411 8306 1 16 . 1 1 20 20 LYS H H 20 8.340 8.340 8.031 0.309 25411 8307 1 16 . 1 1 21 21 THR N N 21 116.373 116.373 112.432 3.941 25411 8308 1 16 . 1 1 21 21 THR HA H 21 4.107 4.107 4.220 -0.113 25411 8309 1 16 . 1 1 21 21 THR CA C 21 64.611 64.611 64.528 0.083 25411 8310 1 16 . 1 1 21 21 THR CB C 21 68.811 68.811 68.396 0.415 25411 8311 1 16 . 1 1 21 21 THR H H 21 7.302 7.302 7.993 -0.691 25411 8312 1 16 . 1 1 22 22 ARG N N 22 118.647 118.647 119.214 -0.567 25411 8313 1 16 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.475 -0.113 25411 8314 1 16 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.666 -1.601 25411 8315 1 16 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.180 -1.652 25411 8316 1 16 . 1 1 22 22 ARG H H 22 7.290 7.290 7.584 -0.294 25411 8317 1 16 . 1 1 23 23 GLY N N 23 108.637 108.637 107.505 1.132 25411 8318 1 16 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.394 0.718 25411 8319 1 16 . 1 1 23 23 GLY H H 23 7.881 7.881 7.647 0.234 25411 8320 1 16 . 1 1 24 24 VAL N N 24 117.390 117.390 124.153 -6.763 25411 8321 1 16 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.820 0.194 25411 8322 1 16 . 1 1 24 24 VAL CA C 24 61.668 61.668 62.965 -1.297 25411 8323 1 16 . 1 1 24 24 VAL CB C 24 32.372 32.372 29.260 3.112 25411 8324 1 16 . 1 1 24 24 VAL H H 24 7.333 7.333 7.506 -0.173 25411 8325 1 16 . 1 1 25 25 LYS N N 25 127.322 127.322 121.482 5.840 25411 8326 1 16 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.927 0.405 25411 8327 1 16 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.272 -1.510 25411 8328 1 16 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.663 0.098 25411 8329 1 16 . 1 1 25 25 LYS H H 25 8.722 8.722 8.313 0.409 25411 8330 1 16 . 1 1 26 26 VAL N N 26 120.568 120.568 120.220 0.348 25411 8331 1 16 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.234 -0.156 25411 8332 1 16 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.743 -1.078 25411 8333 1 16 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.459 0.188 25411 8334 1 16 . 1 1 26 26 VAL H H 26 7.119 7.119 8.259 -1.140 25411 8335 1 16 . 1 1 27 27 LYS N N 27 125.675 125.675 127.765 -2.090 25411 8336 1 16 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.338 -0.012 25411 8337 1 16 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.212 0.199 25411 8338 1 16 . 1 1 27 27 LYS CB C 27 31.959 31.959 35.021 -3.062 25411 8339 1 16 . 1 1 27 27 LYS H H 27 8.570 8.570 8.047 0.523 25411 8340 1 16 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.470 -0.453 25411 8341 1 16 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.788 -2.376 25411 8342 1 16 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.725 2.115 25411 8343 1 16 . 1 1 29 29 ALA N N 29 120.743 120.743 127.861 -7.118 25411 8344 1 16 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.125 -0.457 25411 8345 1 16 . 1 1 29 29 ALA CA C 29 54.678 54.678 54.895 -0.217 25411 8346 1 16 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.096 -1.097 25411 8347 1 16 . 1 1 29 29 ALA H H 29 8.323 8.323 8.727 -0.404 25411 8348 1 16 . 1 1 30 30 ASP N N 30 117.202 117.202 118.808 -1.606 25411 8349 1 16 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.478 -0.197 25411 8350 1 16 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.336 0.217 25411 8351 1 16 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.292 0.515 25411 8352 1 16 . 1 1 30 30 ASP H H 30 6.872 6.872 8.869 -1.997 25411 8353 1 16 . 1 1 31 31 LEU N N 31 122.273 122.273 118.616 3.657 25411 8354 1 16 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.338 -0.792 25411 8355 1 16 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.616 0.109 25411 8356 1 16 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.103 -1.445 25411 8357 1 16 . 1 1 31 31 LEU H H 31 7.433 7.433 7.626 -0.193 25411 8358 1 16 . 1 1 32 32 LEU N N 32 123.376 123.376 119.007 4.369 25411 8359 1 16 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.236 -0.621 25411 8360 1 16 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.170 -0.074 25411 8361 1 16 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.915 -1.373 25411 8362 1 16 . 1 1 32 32 LEU H H 32 8.727 8.727 7.886 0.841 25411 8363 1 16 . 1 1 33 33 LYS N N 33 118.078 118.078 120.651 -2.573 25411 8364 1 16 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.603 -0.390 25411 8365 1 16 . 1 1 33 33 LYS CA C 33 59.098 59.098 58.460 0.638 25411 8366 1 16 . 1 1 33 33 LYS CB C 33 31.890 31.890 31.858 0.032 25411 8367 1 16 . 1 1 33 33 LYS H H 33 7.149 7.149 7.793 -0.644 25411 8368 1 16 . 1 1 34 34 PHE N N 34 117.398 117.398 121.078 -3.680 25411 8369 1 16 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.781 -5.086 25411 8370 1 16 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.044 2.175 25411 8371 1 16 . 1 1 34 34 PHE H H 34 7.633 7.633 8.227 -0.594 25411 8372 1 16 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.089 -0.296 25411 8373 1 16 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.068 -0.476 25411 8374 1 16 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.441 -2.427 25411 8375 1 16 . 1 1 36 36 ASP N N 36 120.136 120.136 118.976 1.160 25411 8376 1 16 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.397 -0.301 25411 8377 1 16 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.014 -0.073 25411 8378 1 16 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.576 -1.472 25411 8379 1 16 . 1 1 36 36 ASP H H 36 8.330 8.330 8.895 -0.565 25411 8380 1 16 . 1 1 37 37 PHE N N 37 121.883 121.883 121.059 0.824 25411 8381 1 16 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.227 0.031 25411 8382 1 16 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.254 -1.556 25411 8383 1 16 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.103 1.082 25411 8384 1 16 . 1 1 37 37 PHE H H 37 7.794 7.794 8.054 -0.260 25411 8385 1 16 . 1 1 38 38 VAL N N 38 118.525 118.525 118.987 -0.462 25411 8386 1 16 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.337 -0.298 25411 8387 1 16 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.264 0.618 25411 8388 1 16 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.309 -0.621 25411 8389 1 16 . 1 1 38 38 VAL H H 38 8.262 8.262 7.732 0.530 25411 8390 1 16 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.862 -0.406 25411 8391 1 16 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.401 -0.347 25411 8392 1 16 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.909 -0.213 25411 8393 1 16 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.451 -0.006 25411 8394 1 16 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.695 0.290 25411 8395 1 16 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.420 -0.728 25411 8396 1 16 . 1 1 41 41 ILE N N 41 120.641 120.641 120.106 0.535 25411 8397 1 16 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.829 0.196 25411 8398 1 16 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.731 -3.079 25411 8399 1 16 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.601 -0.537 25411 8400 1 16 . 1 1 41 41 ILE H H 41 8.788 8.788 7.960 0.828 25411 8401 1 16 . 1 1 42 42 CYS N N 42 117.896 117.896 116.208 1.688 25411 8402 1 16 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.938 0.234 25411 8403 1 16 . 1 1 42 42 CYS CB C 42 28.324 28.324 28.833 -0.509 25411 8404 1 16 . 1 1 42 42 CYS H H 42 7.180 7.180 7.439 -0.259 25411 8405 1 16 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.163 0.152 25411 8406 1 16 . 1 1 43 43 PRO CA C 43 65.003 65.003 65.303 -0.300 25411 8407 1 16 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.512 -0.797 25411 8408 1 16 . 1 1 44 44 TRP N N 44 113.823 113.823 115.692 -1.869 25411 8409 1 16 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.277 0.028 25411 8410 1 16 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.357 -1.959 25411 8411 1 16 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.191 -1.379 25411 8412 1 16 . 1 1 44 44 TRP H H 44 6.591 6.591 7.577 -0.986 25411 8413 1 16 . 1 1 45 45 PHE N N 45 123.100 123.100 115.800 7.300 25411 8414 1 16 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.020 -1.019 25411 8415 1 16 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.695 8.114 25411 8416 1 16 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.348 -3.413 25411 8417 1 16 . 1 1 45 45 PHE H H 45 7.239 7.239 7.705 -0.466 25411 8418 1 16 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.191 -0.179 25411 8419 1 16 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.614 -0.083 25411 8420 1 16 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.567 -1.080 25411 8421 1 16 . 1 1 47 47 GLN N N 47 114.502 114.502 116.571 -2.069 25411 8422 1 16 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.121 -0.184 25411 8423 1 16 . 1 1 47 47 GLN CA C 47 58.404 58.404 57.963 0.441 25411 8424 1 16 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.606 0.714 25411 8425 1 16 . 1 1 47 47 GLN H H 47 6.518 6.518 8.544 -2.026 25411 8426 1 16 . 1 1 48 48 GLU N N 48 117.358 117.358 119.249 -1.891 25411 8427 1 16 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.210 -0.172 25411 8428 1 16 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.955 1.217 25411 8429 1 16 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.321 -1.367 25411 8430 1 16 . 1 1 48 48 GLU H H 48 7.318 7.318 7.890 -0.572 25411 8431 1 16 . 1 1 49 49 GLY N N 49 105.534 105.534 108.622 -3.088 25411 8432 1 16 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.739 1.564 25411 8433 1 16 . 1 1 49 49 GLY H H 49 7.296 7.296 7.995 -0.699 25411 8434 1 16 . 1 1 50 50 THR N N 50 114.069 114.069 113.431 0.638 25411 8435 1 16 . 1 1 50 50 THR HA H 50 4.234 4.234 4.475 -0.241 25411 8436 1 16 . 1 1 50 50 THR CA C 50 61.683 61.683 60.606 1.077 25411 8437 1 16 . 1 1 50 50 THR CB C 50 70.718 70.718 70.581 0.137 25411 8438 1 16 . 1 1 50 50 THR H H 50 7.597 7.597 7.632 -0.035 25411 8439 1 16 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.153 -0.028 25411 8440 1 16 . 1 1 51 51 ILE CA C 51 59.870 59.870 60.914 -1.044 25411 8441 1 16 . 1 1 51 51 ILE CB C 51 35.288 35.288 37.775 -2.487 25411 8442 1 16 . 1 1 52 52 ASP N N 52 121.791 121.791 129.109 -7.318 25411 8443 1 16 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.909 -0.286 25411 8444 1 16 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.668 -0.936 25411 8445 1 16 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.407 -1.946 25411 8446 1 16 . 1 1 52 52 ASP H H 52 7.168 7.168 8.312 -1.144 25411 8447 1 16 . 1 1 53 53 ILE N N 53 119.537 119.537 118.862 0.675 25411 8448 1 16 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.732 -0.597 25411 8449 1 16 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.285 -0.489 25411 8450 1 16 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.612 -1.797 25411 8451 1 16 . 1 1 53 53 ILE H H 53 8.336 8.336 8.536 -0.200 25411 8452 1 16 . 1 1 54 54 LYS N N 54 123.592 123.592 122.130 1.462 25411 8453 1 16 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.145 -0.040 25411 8454 1 16 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.220 -0.248 25411 8455 1 16 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.084 -0.337 25411 8456 1 16 . 1 1 54 54 LYS H H 54 8.104 8.104 8.525 -0.421 25411 8457 1 16 . 1 1 55 55 ARG N N 55 120.511 120.511 119.841 0.670 25411 8458 1 16 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.114 0.187 25411 8459 1 16 . 1 1 55 55 ARG CA C 55 59.903 59.903 58.929 0.974 25411 8460 1 16 . 1 1 55 55 ARG CB C 55 30.056 30.056 29.311 0.745 25411 8461 1 16 . 1 1 55 55 ARG H H 55 9.196 9.196 8.521 0.675 25411 8462 1 16 . 1 1 56 56 TRP N N 56 120.681 120.681 123.417 -2.736 25411 8463 1 16 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.283 0.420 25411 8464 1 16 . 1 1 56 56 TRP CA C 56 59.406 59.406 58.951 0.455 25411 8465 1 16 . 1 1 56 56 TRP CB C 56 30.014 30.014 28.528 1.486 25411 8466 1 16 . 1 1 56 56 TRP H H 56 8.899 8.899 8.116 0.783 25411 8467 1 16 . 1 1 57 57 ARG N N 57 122.115 122.115 120.139 1.976 25411 8468 1 16 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.078 1.329 25411 8469 1 16 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.137 0.890 25411 8470 1 16 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.739 0.047 25411 8471 1 16 . 1 1 57 57 ARG H H 57 9.210 9.210 7.825 1.385 25411 8472 1 16 . 1 1 58 58 ARG N N 58 120.918 120.918 119.354 1.564 25411 8473 1 16 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.323 0.522 25411 8474 1 16 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.116 -0.386 25411 8475 1 16 . 1 1 58 58 ARG H H 58 7.640 7.640 7.589 0.051 25411 8476 1 16 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.848 -0.084 25411 8477 1 16 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.407 0.593 25411 8478 1 16 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.140 -0.308 25411 8479 1 16 . 1 1 59 59 VAL H H 59 7.916 7.916 7.732 0.184 25411 8480 1 16 . 1 1 60 60 GLY N N 60 106.856 106.856 107.512 -0.656 25411 8481 1 16 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.183 -1.102 25411 8482 1 16 . 1 1 60 60 GLY H H 60 7.623 7.623 8.408 -0.785 25411 8483 1 16 . 1 1 61 61 ASP N N 61 123.308 123.308 123.144 0.164 25411 8484 1 16 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.534 -0.309 25411 8485 1 16 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.735 0.065 25411 8486 1 16 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.652 -1.168 25411 8487 1 16 . 1 1 61 61 ASP H H 61 8.203 8.203 8.112 0.091 25411 8488 1 16 . 1 1 62 62 CYS N N 62 120.841 120.841 118.583 2.258 25411 8489 1 16 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.030 0.208 25411 8490 1 16 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.326 -1.376 25411 8491 1 16 . 1 1 62 62 CYS CB C 62 26.503 26.503 27.563 -1.060 25411 8492 1 16 . 1 1 62 62 CYS H H 62 7.795 7.795 7.792 0.003 25411 8493 1 16 . 1 1 63 63 PHE N N 63 119.763 119.763 120.348 -0.585 25411 8494 1 16 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.249 0.029 25411 8495 1 16 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.720 -3.063 25411 8496 1 16 . 1 1 63 63 PHE CB C 63 36.990 36.990 39.492 -2.502 25411 8497 1 16 . 1 1 63 63 PHE H H 63 8.647 8.647 8.119 0.528 25411 8498 1 16 . 1 1 64 64 GLN N N 64 118.578 118.578 119.157 -0.579 25411 8499 1 16 . 1 1 64 64 GLN HA H 64 4.308 4.308 3.974 0.334 25411 8500 1 16 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.855 0.478 25411 8501 1 16 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.338 0.241 25411 8502 1 16 . 1 1 64 64 GLN H H 64 8.261 8.261 8.475 -0.214 25411 8503 1 16 . 1 1 65 65 ASP N N 65 119.534 119.534 121.627 -2.093 25411 8504 1 16 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.350 0.134 25411 8505 1 16 . 1 1 65 65 ASP CA C 65 57.329 57.329 56.953 0.376 25411 8506 1 16 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.930 -1.259 25411 8507 1 16 . 1 1 65 65 ASP H H 65 8.338 8.338 8.495 -0.157 25411 8508 1 16 . 1 1 66 66 TYR N N 66 123.600 123.600 122.151 1.449 25411 8509 1 16 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.819 0.683 25411 8510 1 16 . 1 1 66 66 TYR CA C 66 61.231 61.231 61.941 -0.710 25411 8511 1 16 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.334 0.099 25411 8512 1 16 . 1 1 66 66 TYR H H 66 7.804 7.804 8.236 -0.432 25411 8513 1 16 . 1 1 67 67 TYR N N 67 122.825 122.825 117.722 5.103 25411 8514 1 16 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.959 0.038 25411 8515 1 16 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.481 0.422 25411 8516 1 16 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.408 0.538 25411 8517 1 16 . 1 1 67 67 TYR H H 67 9.100 9.100 8.179 0.921 25411 8518 1 16 . 1 1 68 68 ASN N N 68 118.826 118.826 117.155 1.671 25411 8519 1 16 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.316 -0.033 25411 8520 1 16 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.928 -0.496 25411 8521 1 16 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.273 -0.397 25411 8522 1 16 . 1 1 68 68 ASN H H 68 8.853 8.853 8.486 0.367 25411 8523 1 16 . 1 1 69 69 THR N N 69 114.242 114.242 115.093 -0.851 25411 8524 1 16 . 1 1 69 69 THR HA H 69 3.837 3.837 3.976 -0.139 25411 8525 1 16 . 1 1 69 69 THR CA C 69 65.328 65.328 65.096 0.232 25411 8526 1 16 . 1 1 69 69 THR CB C 69 69.249 69.249 68.302 0.947 25411 8527 1 16 . 1 1 69 69 THR H H 69 7.847 7.847 7.932 -0.085 25411 8528 1 16 . 1 1 70 70 PHE N N 70 117.970 117.970 118.636 -0.666 25411 8529 1 16 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.346 0.218 25411 8530 1 16 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.816 0.426 25411 8531 1 16 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.229 2.845 25411 8532 1 16 . 1 1 70 70 PHE H H 70 8.489 8.489 7.119 1.370 25411 8533 1 16 . 1 1 71 71 GLY N N 71 109.516 109.516 107.873 1.643 25411 8534 1 16 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.907 0.125 25411 8535 1 16 . 1 1 71 71 GLY H H 71 7.968 7.968 7.550 0.418 25411 8536 1 16 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.433 0.278 25411 8537 1 16 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.004 1.293 25411 8538 1 16 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.071 0.673 25411 8539 1 16 . 1 1 73 73 GLU N N 73 117.720 117.720 125.442 -7.722 25411 8540 1 16 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.112 -0.213 25411 8541 1 16 . 1 1 73 73 GLU CA C 73 58.736 58.736 57.966 0.770 25411 8542 1 16 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.514 -0.651 25411 8543 1 16 . 1 1 73 73 GLU H H 73 8.586 8.586 8.268 0.318 25411 8544 1 16 . 1 1 74 74 LYS N N 74 116.974 116.974 119.733 -2.759 25411 8545 1 16 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.311 0.078 25411 8546 1 16 . 1 1 74 74 LYS CA C 74 55.185 55.185 55.296 -0.111 25411 8547 1 16 . 1 1 74 74 LYS CB C 74 34.087 34.087 31.012 3.075 25411 8548 1 16 . 1 1 74 74 LYS H H 74 7.505 7.505 8.138 -0.633 25411 8549 1 16 . 1 1 75 75 VAL N N 75 117.309 117.309 123.412 -6.103 25411 8550 1 16 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.126 0.187 25411 8551 1 16 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.755 1.290 25411 8552 1 16 . 1 1 75 75 VAL CB C 75 31.984 31.984 31.809 0.175 25411 8553 1 16 . 1 1 75 75 VAL H H 75 7.402 7.402 7.298 0.104 25411 8554 1 16 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.574 -0.012 25411 8555 1 16 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.654 -0.967 25411 8556 1 16 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.589 -0.858 25411 8557 1 16 . 1 1 77 77 VAL N N 77 120.870 120.870 121.882 -1.012 25411 8558 1 16 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.193 -0.365 25411 8559 1 16 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.208 1.630 25411 8560 1 16 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.781 -0.394 25411 8561 1 16 . 1 1 77 77 VAL H H 77 8.473 8.473 8.807 -0.334 25411 8562 1 16 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.878 -0.026 25411 8563 1 16 . 1 1 78 78 ILE CA C 78 61.125 61.125 63.697 -2.572 25411 8564 1 16 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.887 0.248 25411 8565 1 16 . 1 1 78 78 ILE H H 78 8.388 8.388 7.957 0.431 25411 8566 1 16 . 1 1 79 79 ALA N N 79 123.960 123.960 122.594 1.366 25411 8567 1 16 . 1 1 79 79 ALA HA H 79 3.890 3.890 3.959 -0.069 25411 8568 1 16 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.549 0.340 25411 8569 1 16 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.409 -0.786 25411 8570 1 16 . 1 1 79 79 ALA H H 79 7.953 7.953 7.850 0.103 25411 8571 1 16 . 1 1 80 80 PHE N N 80 114.330 114.330 114.421 -0.091 25411 8572 1 16 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.403 0.028 25411 8573 1 16 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.627 1.685 25411 8574 1 16 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.105 -1.449 25411 8575 1 16 . 1 1 80 80 PHE H H 80 7.499 7.499 8.006 -0.507 25411 8576 1 16 . 1 1 81 81 SER N N 81 115.971 115.971 113.490 2.481 25411 8577 1 16 . 1 1 81 81 SER HA H 81 4.206 4.206 4.477 -0.271 25411 8578 1 16 . 1 1 81 81 SER CA C 81 58.432 58.432 59.090 -0.658 25411 8579 1 16 . 1 1 81 81 SER CB C 81 63.575 63.575 63.742 -0.167 25411 8580 1 16 . 1 1 81 81 SER H H 81 8.225 8.225 7.489 0.736 25411 8581 1 16 . 1 1 82 82 TYR N N 82 121.997 121.997 123.156 -1.159 25411 8582 1 16 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.326 0.121 25411 8583 1 16 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.407 -4.522 25411 8584 1 16 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.886 -1.048 25411 8585 1 16 . 1 1 82 82 TYR H H 82 8.378 8.378 7.485 0.893 25411 8586 1 16 . 1 1 83 83 TRP N N 83 120.268 120.268 120.321 -0.053 25411 8587 1 16 . 1 1 83 83 TRP CA C 83 57.393 57.393 60.953 -3.560 25411 8588 1 16 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.118 -0.224 25411 8589 1 16 . 1 1 83 83 TRP H H 83 8.546 8.546 9.536 -0.990 25411 8590 1 16 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.060 0.160 25411 8591 1 16 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.097 0.532 25411 8592 1 16 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.754 1.311 25411 8593 1 16 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.372 -0.326 25411 8594 1 16 . 1 1 85 85 LEU CA C 85 58.142 58.142 56.766 1.376 25411 8595 1 16 . 1 1 85 85 LEU CB C 85 41.692 41.692 42.078 -0.386 25411 8596 1 16 . 1 1 86 86 ILE N N 86 117.000 117.000 120.075 -3.075 25411 8597 1 16 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.550 -0.104 25411 8598 1 16 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.849 -2.566 25411 8599 1 16 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.307 -1.895 25411 8600 1 16 . 1 1 86 86 ILE H H 86 7.882 7.882 7.818 0.064 25411 8601 1 16 . 1 1 87 87 LYS HA H 87 3.226 3.226 4.130 -0.904 25411 8602 1 16 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.477 0.519 25411 8603 1 16 . 1 1 87 87 LYS CB C 87 31.050 31.050 32.383 -1.333 25411 8604 1 16 . 1 1 88 88 GLU N N 88 116.404 116.404 117.473 -1.069 25411 8605 1 16 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.445 -0.598 25411 8606 1 16 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.220 0.691 25411 8607 1 16 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.155 -0.186 25411 8608 1 16 . 1 1 88 88 GLU H H 88 7.689 7.689 7.877 -0.188 25411 8609 1 16 . 1 1 89 89 LEU N N 89 118.193 118.193 121.794 -3.601 25411 8610 1 16 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.185 -0.296 25411 8611 1 16 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.776 1.187 25411 8612 1 16 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.203 -0.903 25411 8613 1 16 . 1 1 89 89 LEU H H 89 7.415 7.415 7.716 -0.301 25411 8614 1 16 . 1 1 90 90 ILE N N 90 115.471 115.471 120.492 -5.021 25411 8615 1 16 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.670 -0.252 25411 8616 1 16 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.239 0.669 25411 8617 1 16 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.722 -0.128 25411 8618 1 16 . 1 1 90 90 ILE H H 90 7.718 7.718 7.716 0.002 25411 8619 1 16 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.488 -0.768 25411 8620 1 16 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.939 0.725 25411 8621 1 16 . 1 1 91 91 ASP CB C 91 40.532 40.532 39.987 0.545 25411 8622 1 16 . 1 1 92 92 LYS N N 92 119.253 119.253 118.755 0.498 25411 8623 1 16 . 1 1 92 92 LYS CA C 92 58.897 58.897 56.537 2.360 25411 8624 1 16 . 1 1 92 92 LYS CB C 92 31.988 31.988 31.749 0.239 25411 8625 1 16 . 1 1 92 92 LYS H H 92 7.869 7.869 7.707 0.162 25411 8626 1 16 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.041 0.490 25411 8627 1 16 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.759 -3.501 25411 8628 1 16 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.945 0.224 25411 8629 1 16 . 1 1 94 94 GLU N N 94 116.729 116.729 120.681 -3.952 25411 8630 1 16 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.077 0.056 25411 8631 1 16 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.125 0.194 25411 8632 1 16 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.379 -2.004 25411 8633 1 16 . 1 1 94 94 GLU H H 94 8.393 8.393 7.833 0.560 25411 8634 1 16 . 1 1 95 95 VAL N N 95 121.696 121.696 117.146 4.550 25411 8635 1 16 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.890 0.592 25411 8636 1 16 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.528 3.193 25411 8637 1 16 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.430 1.464 25411 8638 1 16 . 1 1 95 95 VAL H H 95 7.923 7.923 7.636 0.287 25411 8639 1 16 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.794 -0.436 25411 8640 1 16 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.242 0.365 25411 8641 1 16 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.706 -0.833 25411 8642 1 16 . 1 1 98 98 GLN N N 98 117.731 117.731 119.906 -2.175 25411 8643 1 16 . 1 1 98 98 GLN HA H 98 3.925 3.925 3.977 -0.052 25411 8644 1 16 . 1 1 98 98 GLN CA C 98 58.608 58.608 59.267 -0.659 25411 8645 1 16 . 1 1 98 98 GLN CB C 98 28.521 28.521 28.265 0.256 25411 8646 1 16 . 1 1 98 98 GLN H H 98 8.359 8.359 8.323 0.036 25411 8647 1 16 . 1 1 99 99 VAL N N 99 121.326 121.326 118.293 3.033 25411 8648 1 16 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.733 -0.313 25411 8649 1 16 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.366 1.038 25411 8650 1 16 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.532 0.087 25411 8651 1 16 . 1 1 99 99 VAL H H 99 7.901 7.901 8.271 -0.370 25411 8652 1 16 . 1 1 100 100 MET N N 100 120.447 120.447 116.469 3.978 25411 8653 1 16 . 1 1 100 100 MET HA H 100 3.812 3.812 4.370 -0.558 25411 8654 1 16 . 1 1 100 100 MET CA C 100 59.297 59.297 58.100 1.197 25411 8655 1 16 . 1 1 100 100 MET CB C 100 32.099 32.099 33.140 -1.041 25411 8656 1 16 . 1 1 100 100 MET H H 100 7.509 7.509 7.438 0.071 25411 8657 1 16 . 1 1 101 101 ALA N N 101 119.458 119.458 121.670 -2.212 25411 8658 1 16 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.137 0.073 25411 8659 1 16 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.469 0.283 25411 8660 1 16 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.506 -0.985 25411 8661 1 16 . 1 1 101 101 ALA H H 101 7.889 7.889 7.585 0.304 25411 8662 1 16 . 1 1 102 102 ALA N N 102 119.627 119.627 121.192 -1.565 25411 8663 1 16 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.183 -0.190 25411 8664 1 16 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.475 0.413 25411 8665 1 16 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.234 -0.890 25411 8666 1 16 . 1 1 102 102 ALA H H 102 7.563 7.563 8.440 -0.877 25411 8667 1 16 . 1 1 103 103 VAL N N 103 122.690 122.690 118.130 4.560 25411 8668 1 16 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.961 0.112 25411 8669 1 16 . 1 1 103 103 VAL CA C 103 61.685 61.685 64.980 -3.295 25411 8670 1 16 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.876 1.346 25411 8671 1 16 . 1 1 103 103 VAL H H 103 8.828 8.828 7.996 0.832 25411 8672 1 16 . 1 1 104 104 ALA N N 104 128.041 128.041 118.842 9.199 25411 8673 1 16 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.246 0.023 25411 8674 1 16 . 1 1 104 104 ALA CA C 104 52.141 52.141 53.318 -1.177 25411 8675 1 16 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.100 0.840 25411 8676 1 16 . 1 1 104 104 ALA H H 104 8.367 8.367 7.599 0.768 25411 8677 1 16 . 1 1 105 105 GLN N N 105 120.265 120.265 116.955 3.310 25411 8678 1 16 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.348 0.583 25411 8679 1 16 . 1 1 105 105 GLN CB C 105 29.020 29.020 30.540 -1.520 25411 8680 1 16 . 1 1 105 105 GLN H H 105 8.356 8.356 7.748 0.608 25411 8681 1 16 . 1 1 106 106 THR HA H 106 4.320 4.320 4.096 0.224 25411 8682 1 16 . 1 1 106 106 THR CA C 106 61.346 61.346 64.749 -3.403 25411 8683 1 16 . 1 1 106 106 THR CB C 106 69.293 69.293 69.727 -0.434 25411 8684 1 16 . 1 1 107 107 GLU N N 107 122.706 122.706 119.445 3.261 25411 8685 1 16 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.156 0.026 25411 8686 1 16 . 1 1 107 107 GLU CA C 107 56.576 56.576 56.266 0.310 25411 8687 1 16 . 1 1 107 107 GLU CB C 107 29.936 29.936 29.881 0.055 25411 8688 1 16 . 1 1 107 107 GLU H H 107 8.404 8.404 7.693 0.711 25411 8689 1 16 . 1 1 108 108 GLU N N 108 122.034 122.034 122.974 -0.940 25411 8690 1 16 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.441 -0.280 25411 8691 1 16 . 1 1 108 108 GLU CA C 108 56.649 56.649 56.275 0.374 25411 8692 1 16 . 1 1 108 108 GLU CB C 108 29.676 29.676 30.493 -0.817 25411 8693 1 16 . 1 1 108 108 GLU H H 108 7.341 7.341 8.459 -1.118 25411 8694 1 16 . 1 1 109 109 ILE N N 109 122.151 122.151 117.756 4.395 25411 8695 1 16 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.046 0.001 25411 8696 1 16 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.586 -1.021 25411 8697 1 16 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.479 -0.375 25411 8698 1 16 . 1 1 109 109 ILE H H 109 8.058 8.058 8.320 -0.262 25411 8699 1 16 . 1 1 110 110 LEU N N 110 122.427 122.427 121.564 0.863 25411 8700 1 16 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.387 -0.111 25411 8701 1 16 . 1 1 110 110 LEU CA C 110 55.151 55.151 55.435 -0.284 25411 8702 1 16 . 1 1 110 110 LEU CB C 110 32.255 32.255 41.110 -8.855 25411 8703 1 16 . 1 1 110 110 LEU H H 110 8.194 8.194 7.802 0.392 25411 8704 1 16 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.464 -0.217 25411 8705 1 16 . 1 1 111 111 LYS CA C 111 56.137 56.137 56.390 -0.253 25411 8706 1 16 . 1 1 111 111 LYS CB C 111 32.569 32.569 34.384 -1.815 25411 8707 1 16 . 1 1 112 112 SER N N 112 116.453 116.453 113.095 3.358 25411 8708 1 16 . 1 1 112 112 SER HA H 112 4.175 4.175 4.429 -0.254 25411 8709 1 16 . 1 1 112 112 SER CA C 112 58.311 58.311 60.178 -1.867 25411 8710 1 16 . 1 1 112 112 SER CB C 112 63.441 63.441 63.509 -0.068 25411 8711 1 16 . 1 1 112 112 SER H H 112 8.204 8.204 8.474 -0.270 25411 8712 1 16 . 1 1 113 113 ASN N N 113 119.747 119.747 118.464 1.283 25411 8713 1 16 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.883 -0.239 25411 8714 1 16 . 1 1 113 113 ASN CA C 113 53.645 53.645 53.347 0.298 25411 8715 1 16 . 1 1 113 113 ASN CB C 113 38.646 38.646 38.848 -0.202 25411 8716 1 16 . 1 1 113 113 ASN H H 113 7.944 7.944 8.349 -0.405 25411 8717 1 16 . 1 1 114 114 SER N N 114 115.433 115.433 112.997 2.436 25411 8718 1 16 . 1 1 114 114 SER HA H 114 4.336 4.336 4.537 -0.201 25411 8719 1 16 . 1 1 114 114 SER CA C 114 58.711 58.711 57.770 0.940 25411 8720 1 16 . 1 1 114 114 SER CB C 114 63.308 63.308 63.587 -0.279 25411 8721 1 16 . 1 1 114 114 SER H H 114 7.962 7.962 8.066 -0.104 25411 8722 1 16 . 1 1 115 115 GLN N N 115 121.682 121.682 117.119 4.563 25411 8723 1 16 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.191 0.083 25411 8724 1 16 . 1 1 115 115 GLN CA C 115 56.193 56.193 55.834 0.359 25411 8725 1 16 . 1 1 115 115 GLN CB C 115 28.807 28.807 29.355 -0.548 25411 8726 1 16 . 1 1 115 115 GLN H H 115 8.207 8.207 7.716 0.491 25411 8727 1 16 . 1 1 116 116 THR N N 116 114.715 114.715 115.118 -0.403 25411 8728 1 16 . 1 1 116 116 THR HA H 116 4.225 4.225 4.434 -0.209 25411 8729 1 16 . 1 1 116 116 THR CA C 116 62.109 62.109 60.981 1.128 25411 8730 1 16 . 1 1 116 116 THR CB C 116 69.336 69.336 69.244 0.092 25411 8731 1 16 . 1 1 116 116 THR H H 116 8.062 8.062 8.417 -0.355 25411 8732 1 16 . 1 1 117 117 ASP N N 117 122.602 122.602 119.832 2.770 25411 8733 1 16 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.561 0.007 25411 8734 1 16 . 1 1 117 117 ASP CA C 117 54.204 54.204 54.736 -0.532 25411 8735 1 16 . 1 1 117 117 ASP CB C 117 40.665 40.665 38.680 1.985 25411 8736 1 16 . 1 1 117 117 ASP H H 117 8.065 8.065 8.686 -0.621 25411 8737 1 16 . 1 1 118 118 LEU N N 118 122.140 122.140 121.780 0.360 25411 8738 1 16 . 1 1 118 118 LEU HA H 118 4.155 4.155 3.969 0.186 25411 8739 1 16 . 1 1 118 118 LEU CA C 118 55.423 55.423 53.366 2.057 25411 8740 1 16 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.530 0.343 25411 8741 1 16 . 1 1 118 118 LEU H H 118 8.085 8.085 7.724 0.361 25411 8742 1 16 . 1 1 119 119 GLU N N 119 119.672 119.672 117.993 1.679 25411 8743 1 16 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.075 -0.007 25411 8744 1 16 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.495 -0.930 25411 8745 1 16 . 1 1 119 119 GLU CB C 119 29.572 29.572 28.252 1.320 25411 8746 1 16 . 1 1 119 119 GLU H H 119 8.143 8.143 8.218 -0.075 25411 8747 1 16 . 1 1 120 120 HIS N N 120 118.301 118.301 118.674 -0.373 25411 8748 1 16 . 1 1 120 120 HIS CA C 120 55.883 55.883 55.496 0.387 25411 8749 1 16 . 1 1 120 120 HIS CB C 120 29.270 29.270 26.968 2.302 25411 8750 1 16 . 1 1 120 120 HIS H H 120 8.107 8.107 7.032 1.075 25411 8751 1 16 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.743 -0.735 25411 8752 1 16 . 1 1 121 121 HIS CA C 121 55.166 55.166 56.588 -1.422 25411 8753 1 16 . 1 1 121 121 HIS CB C 121 28.759 28.759 31.560 -2.801 25411 8754 1 16 . 1 1 122 122 HIS N N 122 122.407 122.407 119.737 2.670 25411 8755 1 16 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.544 -0.326 25411 8756 1 16 . 1 1 122 122 HIS CA C 122 56.081 56.081 55.916 0.165 25411 8757 1 16 . 1 1 122 122 HIS CB C 122 29.371 29.371 31.072 -1.701 25411 8758 1 16 . 1 1 122 122 HIS H H 122 8.489 8.489 7.651 0.838 25411 8759 1 16 . 1 1 123 123 HIS N N 123 122.868 122.868 118.508 4.360 25411 8760 1 16 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.405 -0.018 25411 8761 1 16 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.008 -0.698 25411 8762 1 16 . 1 1 123 123 HIS CB C 123 29.502 29.502 28.437 1.065 25411 8763 1 16 . 1 1 123 123 HIS H H 123 8.596 8.596 8.547 0.049 25411 8764 1 16 . 1 1 124 124 HIS N N 124 123.734 123.734 123.620 0.114 25411 8765 1 16 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.944 -0.387 25411 8766 1 16 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.407 0.977 25411 8767 1 16 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.824 0.534 25411 8768 1 16 . 1 1 124 124 HIS H H 124 8.255 8.255 8.046 0.209 25411 8769 1 17 . 1 1 3 3 GLN N N 3 122.360 122.360 120.616 1.744 25411 8770 1 17 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.322 -0.434 25411 8771 1 17 . 1 1 3 3 GLN CA C 3 58.742 58.742 57.327 1.415 25411 8772 1 17 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.805 -0.422 25411 8773 1 17 . 1 1 3 3 GLN H H 3 9.398 9.398 8.678 0.720 25411 8774 1 17 . 1 1 4 4 GLU N N 4 119.689 119.689 119.623 0.066 25411 8775 1 17 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.142 0.532 25411 8776 1 17 . 1 1 4 4 GLU CA C 4 57.807 57.807 58.043 -0.236 25411 8777 1 17 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.928 -0.228 25411 8778 1 17 . 1 1 4 4 GLU H H 4 7.464 7.464 8.852 -1.388 25411 8779 1 17 . 1 1 5 5 LEU N N 5 114.872 114.872 122.294 -7.422 25411 8780 1 17 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.070 -0.369 25411 8781 1 17 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.130 -0.392 25411 8782 1 17 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.994 -1.179 25411 8783 1 17 . 1 1 5 5 LEU H H 5 8.206 8.206 7.597 0.609 25411 8784 1 17 . 1 1 6 6 SER N N 6 109.762 109.762 113.035 -3.273 25411 8785 1 17 . 1 1 6 6 SER HA H 6 4.092 4.092 4.129 -0.037 25411 8786 1 17 . 1 1 6 6 SER CA C 6 60.415 60.415 61.535 -1.120 25411 8787 1 17 . 1 1 6 6 SER CB C 6 63.391 63.391 62.675 0.716 25411 8788 1 17 . 1 1 6 6 SER H H 6 8.253 8.253 7.812 0.441 25411 8789 1 17 . 1 1 7 7 GLN N N 7 117.498 117.498 122.759 -5.261 25411 8790 1 17 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.143 -0.188 25411 8791 1 17 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.779 -0.354 25411 8792 1 17 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.681 0.058 25411 8793 1 17 . 1 1 7 7 GLN H H 7 8.673 8.673 7.972 0.701 25411 8794 1 17 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.294 -0.497 25411 8795 1 17 . 1 1 8 8 HIS CA C 8 59.055 59.055 60.182 -1.127 25411 8796 1 17 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.068 -0.959 25411 8797 1 17 . 1 1 9 9 GLU N N 9 120.354 120.354 119.366 0.988 25411 8798 1 17 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.070 -0.111 25411 8799 1 17 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.258 1.000 25411 8800 1 17 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.760 -0.533 25411 8801 1 17 . 1 1 9 9 GLU H H 9 7.690 7.690 8.480 -0.790 25411 8802 1 17 . 1 1 10 10 ARG N N 10 118.753 118.753 119.822 -1.069 25411 8803 1 17 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.069 0.030 25411 8804 1 17 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.405 -1.184 25411 8805 1 17 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.284 -1.189 25411 8806 1 17 . 1 1 10 10 ARG H H 10 8.928 8.928 7.879 1.049 25411 8807 1 17 . 1 1 11 11 TYR N N 11 121.288 121.288 119.388 1.900 25411 8808 1 17 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.267 -0.078 25411 8809 1 17 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.251 -1.015 25411 8810 1 17 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.517 -0.656 25411 8811 1 17 . 1 1 11 11 TYR H H 11 7.562 7.562 8.792 -1.230 25411 8812 1 17 . 1 1 12 12 VAL N N 12 119.304 119.304 119.571 -0.267 25411 8813 1 17 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.643 -0.560 25411 8814 1 17 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.635 0.200 25411 8815 1 17 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.689 -0.589 25411 8816 1 17 . 1 1 12 12 VAL H H 12 8.075 8.075 8.194 -0.119 25411 8817 1 17 . 1 1 13 13 GLU N N 13 119.685 119.685 119.965 -0.280 25411 8818 1 17 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.060 0.095 25411 8819 1 17 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.195 0.230 25411 8820 1 17 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.232 -0.044 25411 8821 1 17 . 1 1 13 13 GLU H H 13 8.278 8.278 7.703 0.575 25411 8822 1 17 . 1 1 14 14 GLN N N 14 119.682 119.682 120.352 -0.670 25411 8823 1 17 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.025 -0.369 25411 8824 1 17 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.605 1.364 25411 8825 1 17 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.105 1.568 25411 8826 1 17 . 1 1 14 14 GLN H H 14 7.653 7.653 8.115 -0.462 25411 8827 1 17 . 1 1 15 15 LEU N N 15 121.000 121.000 119.357 1.643 25411 8828 1 17 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.075 -0.154 25411 8829 1 17 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.550 0.905 25411 8830 1 17 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.290 -0.530 25411 8831 1 17 . 1 1 15 15 LEU H H 15 8.402 8.402 8.613 -0.211 25411 8832 1 17 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.876 -0.180 25411 8833 1 17 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.414 -0.156 25411 8834 1 17 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.309 -0.174 25411 8835 1 17 . 1 1 17 17 GLN N N 17 117.558 117.558 118.212 -0.654 25411 8836 1 17 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.021 -0.134 25411 8837 1 17 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.938 -0.496 25411 8838 1 17 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.639 -0.594 25411 8839 1 17 . 1 1 17 17 GLN H H 17 7.849 7.849 8.139 -0.290 25411 8840 1 17 . 1 1 18 18 ALA N N 18 120.288 120.288 123.163 -2.875 25411 8841 1 17 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.155 -0.367 25411 8842 1 17 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.901 -0.008 25411 8843 1 17 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.569 -1.173 25411 8844 1 17 . 1 1 18 18 ALA H H 18 8.504 8.504 8.272 0.232 25411 8845 1 17 . 1 1 19 19 LEU N N 19 116.974 116.974 118.112 -1.138 25411 8846 1 17 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.008 -0.249 25411 8847 1 17 . 1 1 19 19 LEU CA C 19 57.552 57.552 57.368 0.184 25411 8848 1 17 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.855 -1.163 25411 8849 1 17 . 1 1 19 19 LEU H H 19 8.143 8.143 8.409 -0.266 25411 8850 1 17 . 1 1 20 20 LYS N N 20 117.776 117.776 120.818 -3.042 25411 8851 1 17 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.062 -0.107 25411 8852 1 17 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.710 -0.166 25411 8853 1 17 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.473 -1.987 25411 8854 1 17 . 1 1 20 20 LYS H H 20 8.340 8.340 8.273 0.067 25411 8855 1 17 . 1 1 21 21 THR N N 21 116.373 116.373 111.753 4.620 25411 8856 1 17 . 1 1 21 21 THR HA H 21 4.107 4.107 4.198 -0.091 25411 8857 1 17 . 1 1 21 21 THR CA C 21 64.611 64.611 64.591 0.021 25411 8858 1 17 . 1 1 21 21 THR CB C 21 68.811 68.811 68.373 0.438 25411 8859 1 17 . 1 1 21 21 THR H H 21 7.302 7.302 7.951 -0.649 25411 8860 1 17 . 1 1 22 22 ARG N N 22 118.647 118.647 119.541 -0.894 25411 8861 1 17 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.462 -0.100 25411 8862 1 17 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.908 -1.843 25411 8863 1 17 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.135 -1.607 25411 8864 1 17 . 1 1 22 22 ARG H H 22 7.290 7.290 7.756 -0.466 25411 8865 1 17 . 1 1 23 23 GLY N N 23 108.637 108.637 107.667 0.970 25411 8866 1 17 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.546 0.566 25411 8867 1 17 . 1 1 23 23 GLY H H 23 7.881 7.881 7.690 0.191 25411 8868 1 17 . 1 1 24 24 VAL N N 24 117.390 117.390 123.530 -6.140 25411 8869 1 17 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.751 0.263 25411 8870 1 17 . 1 1 24 24 VAL CA C 24 61.668 61.668 62.469 -0.801 25411 8871 1 17 . 1 1 24 24 VAL CB C 24 32.372 32.372 29.351 3.021 25411 8872 1 17 . 1 1 24 24 VAL H H 24 7.333 7.333 7.555 -0.222 25411 8873 1 17 . 1 1 25 25 LYS N N 25 127.322 127.322 120.581 6.741 25411 8874 1 17 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.881 0.451 25411 8875 1 17 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.593 -1.831 25411 8876 1 17 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.591 0.170 25411 8877 1 17 . 1 1 25 25 LYS H H 25 8.722 8.722 8.357 0.365 25411 8878 1 17 . 1 1 26 26 VAL N N 26 120.568 120.568 119.086 1.482 25411 8879 1 17 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.251 -0.173 25411 8880 1 17 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.920 -1.255 25411 8881 1 17 . 1 1 26 26 VAL CB C 26 33.647 33.647 34.345 -0.698 25411 8882 1 17 . 1 1 26 26 VAL H H 26 7.119 7.119 8.208 -1.089 25411 8883 1 17 . 1 1 27 27 LYS N N 27 125.675 125.675 127.449 -1.774 25411 8884 1 17 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.354 -0.028 25411 8885 1 17 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.255 0.156 25411 8886 1 17 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.853 -2.894 25411 8887 1 17 . 1 1 27 27 LYS H H 27 8.570 8.570 8.016 0.554 25411 8888 1 17 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.457 -0.440 25411 8889 1 17 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.877 -2.465 25411 8890 1 17 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.765 2.075 25411 8891 1 17 . 1 1 29 29 ALA N N 29 120.743 120.743 128.586 -7.843 25411 8892 1 17 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.153 -0.485 25411 8893 1 17 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.073 -0.395 25411 8894 1 17 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.166 -1.166 25411 8895 1 17 . 1 1 29 29 ALA H H 29 8.323 8.323 8.763 -0.440 25411 8896 1 17 . 1 1 30 30 ASP N N 30 117.202 117.202 118.121 -0.919 25411 8897 1 17 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.366 -0.085 25411 8898 1 17 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.144 0.409 25411 8899 1 17 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.917 -0.110 25411 8900 1 17 . 1 1 30 30 ASP H H 30 6.872 6.872 8.716 -1.844 25411 8901 1 17 . 1 1 31 31 LEU N N 31 122.273 122.273 118.420 3.853 25411 8902 1 17 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.340 -0.794 25411 8903 1 17 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.529 0.196 25411 8904 1 17 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.214 -1.556 25411 8905 1 17 . 1 1 31 31 LEU H H 31 7.433 7.433 7.647 -0.214 25411 8906 1 17 . 1 1 32 32 LEU N N 32 123.376 123.376 120.315 3.061 25411 8907 1 17 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.207 -0.592 25411 8908 1 17 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.338 -0.242 25411 8909 1 17 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.994 -1.452 25411 8910 1 17 . 1 1 32 32 LEU H H 32 8.727 8.727 7.819 0.908 25411 8911 1 17 . 1 1 33 33 LYS N N 33 118.078 118.078 119.796 -1.718 25411 8912 1 17 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.371 -0.158 25411 8913 1 17 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.464 -0.366 25411 8914 1 17 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.059 -0.169 25411 8915 1 17 . 1 1 33 33 LYS H H 33 7.149 7.149 7.472 -0.323 25411 8916 1 17 . 1 1 34 34 PHE N N 34 117.398 117.398 121.137 -3.739 25411 8917 1 17 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.984 -5.289 25411 8918 1 17 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.210 2.009 25411 8919 1 17 . 1 1 34 34 PHE H H 34 7.633 7.633 8.616 -0.983 25411 8920 1 17 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.044 -0.251 25411 8921 1 17 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.898 -0.306 25411 8922 1 17 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.172 -2.158 25411 8923 1 17 . 1 1 36 36 ASP N N 36 120.136 120.136 120.232 -0.096 25411 8924 1 17 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.374 -0.278 25411 8925 1 17 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.630 -0.689 25411 8926 1 17 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.527 -1.423 25411 8927 1 17 . 1 1 36 36 ASP H H 36 8.330 8.330 8.693 -0.363 25411 8928 1 17 . 1 1 37 37 PHE N N 37 121.883 121.883 121.199 0.684 25411 8929 1 17 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.437 -0.179 25411 8930 1 17 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.493 -1.795 25411 8931 1 17 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.561 0.624 25411 8932 1 17 . 1 1 37 37 PHE H H 37 7.794 7.794 8.575 -0.781 25411 8933 1 17 . 1 1 38 38 VAL N N 38 118.525 118.525 118.394 0.131 25411 8934 1 17 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.511 -0.472 25411 8935 1 17 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.099 0.783 25411 8936 1 17 . 1 1 38 38 VAL CB C 38 30.688 30.688 30.887 -0.199 25411 8937 1 17 . 1 1 38 38 VAL H H 38 8.262 8.262 8.405 -0.143 25411 8938 1 17 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.881 -0.425 25411 8939 1 17 . 1 1 39 39 LYS CA C 39 59.054 59.054 58.885 0.169 25411 8940 1 17 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.960 -0.264 25411 8941 1 17 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.298 0.147 25411 8942 1 17 . 1 1 40 40 ASP CA C 40 56.985 56.985 55.888 1.097 25411 8943 1 17 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.291 -0.599 25411 8944 1 17 . 1 1 41 41 ILE N N 41 120.641 120.641 119.507 1.134 25411 8945 1 17 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.837 0.188 25411 8946 1 17 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.409 -2.757 25411 8947 1 17 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.300 -0.236 25411 8948 1 17 . 1 1 41 41 ILE H H 41 8.788 8.788 8.103 0.685 25411 8949 1 17 . 1 1 42 42 CYS N N 42 117.896 117.896 117.263 0.633 25411 8950 1 17 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.515 0.657 25411 8951 1 17 . 1 1 42 42 CYS CB C 42 28.324 28.324 29.426 -1.102 25411 8952 1 17 . 1 1 42 42 CYS H H 42 7.180 7.180 7.385 -0.205 25411 8953 1 17 . 1 1 43 43 PRO HA H 43 4.315 4.315 3.952 0.363 25411 8954 1 17 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.400 0.603 25411 8955 1 17 . 1 1 43 43 PRO CB C 43 30.715 30.715 30.989 -0.274 25411 8956 1 17 . 1 1 44 44 TRP N N 44 113.823 113.823 116.054 -2.231 25411 8957 1 17 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.264 0.041 25411 8958 1 17 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.175 -1.777 25411 8959 1 17 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.102 -1.291 25411 8960 1 17 . 1 1 44 44 TRP H H 44 6.591 6.591 7.240 -0.649 25411 8961 1 17 . 1 1 45 45 PHE N N 45 123.100 123.100 116.177 6.923 25411 8962 1 17 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.031 -1.030 25411 8963 1 17 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.426 8.383 25411 8964 1 17 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.351 -3.416 25411 8965 1 17 . 1 1 45 45 PHE H H 45 7.239 7.239 7.542 -0.303 25411 8966 1 17 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.140 -0.128 25411 8967 1 17 . 1 1 46 46 PRO CA C 46 64.531 64.531 65.315 -0.784 25411 8968 1 17 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.750 -1.263 25411 8969 1 17 . 1 1 47 47 GLN N N 47 114.502 114.502 117.560 -3.058 25411 8970 1 17 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.090 -0.153 25411 8971 1 17 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.291 0.113 25411 8972 1 17 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.396 0.924 25411 8973 1 17 . 1 1 47 47 GLN H H 47 6.518 6.518 8.529 -2.011 25411 8974 1 17 . 1 1 48 48 GLU N N 48 117.358 117.358 118.301 -0.943 25411 8975 1 17 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.193 -0.155 25411 8976 1 17 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.646 1.526 25411 8977 1 17 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.151 -1.196 25411 8978 1 17 . 1 1 48 48 GLU H H 48 7.318 7.318 7.942 -0.624 25411 8979 1 17 . 1 1 49 49 GLY N N 49 105.534 105.534 108.421 -2.887 25411 8980 1 17 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.644 1.659 25411 8981 1 17 . 1 1 49 49 GLY H H 49 7.296 7.296 7.731 -0.435 25411 8982 1 17 . 1 1 50 50 THR N N 50 114.069 114.069 112.318 1.751 25411 8983 1 17 . 1 1 50 50 THR HA H 50 4.234 4.234 4.417 -0.183 25411 8984 1 17 . 1 1 50 50 THR CA C 50 61.683 61.683 60.105 1.578 25411 8985 1 17 . 1 1 50 50 THR CB C 50 70.718 70.718 70.418 0.300 25411 8986 1 17 . 1 1 50 50 THR H H 50 7.597 7.597 7.746 -0.149 25411 8987 1 17 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.417 -0.292 25411 8988 1 17 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.082 -1.212 25411 8989 1 17 . 1 1 51 51 ILE CB C 51 35.288 35.288 38.959 -3.671 25411 8990 1 17 . 1 1 52 52 ASP N N 52 121.791 121.791 127.151 -5.360 25411 8991 1 17 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.917 -0.294 25411 8992 1 17 . 1 1 52 52 ASP CA C 52 51.732 51.732 53.039 -1.307 25411 8993 1 17 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.440 -1.979 25411 8994 1 17 . 1 1 52 52 ASP H H 52 7.168 7.168 8.335 -1.167 25411 8995 1 17 . 1 1 53 53 ILE N N 53 119.537 119.537 120.599 -1.062 25411 8996 1 17 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.379 -0.244 25411 8997 1 17 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.320 -0.524 25411 8998 1 17 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.515 -1.700 25411 8999 1 17 . 1 1 53 53 ILE H H 53 8.336 8.336 8.228 0.108 25411 9000 1 17 . 1 1 54 54 LYS N N 54 123.592 123.592 121.907 1.685 25411 9001 1 17 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.142 -0.037 25411 9002 1 17 . 1 1 54 54 LYS CA C 54 59.972 59.972 59.664 0.308 25411 9003 1 17 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.095 -0.347 25411 9004 1 17 . 1 1 54 54 LYS H H 54 8.104 8.104 8.472 -0.368 25411 9005 1 17 . 1 1 55 55 ARG N N 55 120.511 120.511 119.345 1.166 25411 9006 1 17 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.118 0.183 25411 9007 1 17 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.489 0.414 25411 9008 1 17 . 1 1 55 55 ARG CB C 55 30.056 30.056 29.929 0.127 25411 9009 1 17 . 1 1 55 55 ARG H H 55 9.196 9.196 8.444 0.752 25411 9010 1 17 . 1 1 56 56 TRP N N 56 120.681 120.681 121.133 -0.452 25411 9011 1 17 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.599 0.104 25411 9012 1 17 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.317 -0.911 25411 9013 1 17 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.163 0.851 25411 9014 1 17 . 1 1 56 56 TRP H H 56 8.899 8.899 7.984 0.915 25411 9015 1 17 . 1 1 57 57 ARG N N 57 122.115 122.115 119.125 2.990 25411 9016 1 17 . 1 1 57 57 ARG HA H 57 4.407 4.407 4.149 0.258 25411 9017 1 17 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.656 0.371 25411 9018 1 17 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.781 0.005 25411 9019 1 17 . 1 1 57 57 ARG H H 57 9.210 9.210 8.453 0.757 25411 9020 1 17 . 1 1 58 58 ARG N N 58 120.918 120.918 119.246 1.672 25411 9021 1 17 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.210 0.635 25411 9022 1 17 . 1 1 58 58 ARG CB C 58 29.729 29.729 29.901 -0.172 25411 9023 1 17 . 1 1 58 58 ARG H H 58 7.640 7.640 7.645 -0.005 25411 9024 1 17 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.611 0.153 25411 9025 1 17 . 1 1 59 59 VAL CA C 59 66.000 66.000 66.206 -0.206 25411 9026 1 17 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.267 -0.435 25411 9027 1 17 . 1 1 59 59 VAL H H 59 7.916 7.916 7.547 0.369 25411 9028 1 17 . 1 1 60 60 GLY N N 60 106.856 106.856 107.119 -0.263 25411 9029 1 17 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.058 -0.977 25411 9030 1 17 . 1 1 60 60 GLY H H 60 7.623 7.623 8.355 -0.732 25411 9031 1 17 . 1 1 61 61 ASP N N 61 123.308 123.308 122.376 0.932 25411 9032 1 17 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.517 -0.292 25411 9033 1 17 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.562 -0.762 25411 9034 1 17 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.904 -1.420 25411 9035 1 17 . 1 1 61 61 ASP H H 61 8.203 8.203 8.284 -0.081 25411 9036 1 17 . 1 1 62 62 CYS N N 62 120.841 120.841 118.179 2.662 25411 9037 1 17 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.099 0.139 25411 9038 1 17 . 1 1 62 62 CYS CA C 62 62.950 62.950 63.050 -0.100 25411 9039 1 17 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.326 0.177 25411 9040 1 17 . 1 1 62 62 CYS H H 62 7.795 7.795 7.629 0.166 25411 9041 1 17 . 1 1 63 63 PHE N N 63 119.763 119.763 119.288 0.475 25411 9042 1 17 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.250 0.028 25411 9043 1 17 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.612 -2.955 25411 9044 1 17 . 1 1 63 63 PHE CB C 63 36.990 36.990 38.007 -1.017 25411 9045 1 17 . 1 1 63 63 PHE H H 63 8.647 8.647 7.683 0.964 25411 9046 1 17 . 1 1 64 64 GLN N N 64 118.578 118.578 119.985 -1.407 25411 9047 1 17 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.308 -0.000 25411 9048 1 17 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.721 0.612 25411 9049 1 17 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.446 0.133 25411 9050 1 17 . 1 1 64 64 GLN H H 64 8.261 8.261 8.437 -0.176 25411 9051 1 17 . 1 1 65 65 ASP N N 65 119.534 119.534 121.198 -1.664 25411 9052 1 17 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.420 0.064 25411 9053 1 17 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.220 0.109 25411 9054 1 17 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.914 -1.243 25411 9055 1 17 . 1 1 65 65 ASP H H 65 8.338 8.338 8.393 -0.055 25411 9056 1 17 . 1 1 66 66 TYR N N 66 123.600 123.600 122.043 1.557 25411 9057 1 17 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.927 0.575 25411 9058 1 17 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.201 -0.970 25411 9059 1 17 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.524 -0.091 25411 9060 1 17 . 1 1 66 66 TYR H H 66 7.804 7.804 8.508 -0.704 25411 9061 1 17 . 1 1 67 67 TYR N N 67 122.825 122.825 118.070 4.755 25411 9062 1 17 . 1 1 67 67 TYR HA H 67 3.997 3.997 4.223 -0.226 25411 9063 1 17 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.411 0.492 25411 9064 1 17 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.622 0.324 25411 9065 1 17 . 1 1 67 67 TYR H H 67 9.100 9.100 8.146 0.954 25411 9066 1 17 . 1 1 68 68 ASN N N 68 118.826 118.826 116.843 1.983 25411 9067 1 17 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.286 -0.003 25411 9068 1 17 . 1 1 68 68 ASN CA C 68 55.432 55.432 56.142 -0.711 25411 9069 1 17 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.539 -0.663 25411 9070 1 17 . 1 1 68 68 ASN H H 68 8.853 8.853 8.674 0.179 25411 9071 1 17 . 1 1 69 69 THR N N 69 114.242 114.242 115.349 -1.107 25411 9072 1 17 . 1 1 69 69 THR HA H 69 3.837 3.837 4.055 -0.218 25411 9073 1 17 . 1 1 69 69 THR CA C 69 65.328 65.328 65.566 -0.238 25411 9074 1 17 . 1 1 69 69 THR CB C 69 69.249 69.249 68.197 1.052 25411 9075 1 17 . 1 1 69 69 THR H H 69 7.847 7.847 8.052 -0.205 25411 9076 1 17 . 1 1 70 70 PHE N N 70 117.970 117.970 118.143 -0.173 25411 9077 1 17 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.399 0.166 25411 9078 1 17 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.040 0.202 25411 9079 1 17 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.404 2.670 25411 9080 1 17 . 1 1 70 70 PHE H H 70 8.489 8.489 7.158 1.331 25411 9081 1 17 . 1 1 71 71 GLY N N 71 109.516 109.516 108.170 1.346 25411 9082 1 17 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.792 0.240 25411 9083 1 17 . 1 1 71 71 GLY H H 71 7.968 7.968 7.475 0.493 25411 9084 1 17 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.397 0.314 25411 9085 1 17 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.333 0.964 25411 9086 1 17 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.617 0.127 25411 9087 1 17 . 1 1 73 73 GLU N N 73 117.720 117.720 126.469 -8.749 25411 9088 1 17 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.045 -0.146 25411 9089 1 17 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.695 0.041 25411 9090 1 17 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.562 -0.699 25411 9091 1 17 . 1 1 73 73 GLU H H 73 8.586 8.586 8.713 -0.127 25411 9092 1 17 . 1 1 74 74 LYS N N 74 116.974 116.974 118.810 -1.836 25411 9093 1 17 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.439 -0.050 25411 9094 1 17 . 1 1 74 74 LYS CA C 74 55.185 55.185 54.737 0.448 25411 9095 1 17 . 1 1 74 74 LYS CB C 74 34.087 34.087 30.913 3.174 25411 9096 1 17 . 1 1 74 74 LYS H H 74 7.505 7.505 8.093 -0.588 25411 9097 1 17 . 1 1 75 75 VAL N N 75 117.309 117.309 123.506 -6.197 25411 9098 1 17 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.235 0.078 25411 9099 1 17 . 1 1 75 75 VAL CA C 75 62.045 62.045 61.321 0.724 25411 9100 1 17 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.345 -0.361 25411 9101 1 17 . 1 1 75 75 VAL H H 75 7.402 7.402 7.395 0.007 25411 9102 1 17 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.555 0.007 25411 9103 1 17 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.912 -1.225 25411 9104 1 17 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.661 -0.930 25411 9105 1 17 . 1 1 77 77 VAL N N 77 120.870 120.870 121.786 -0.916 25411 9106 1 17 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.146 -0.318 25411 9107 1 17 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.465 1.373 25411 9108 1 17 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.056 -0.669 25411 9109 1 17 . 1 1 77 77 VAL H H 77 8.473 8.473 8.805 -0.332 25411 9110 1 17 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.781 0.070 25411 9111 1 17 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.105 -2.980 25411 9112 1 17 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.836 0.299 25411 9113 1 17 . 1 1 78 78 ILE H H 78 8.388 8.388 7.940 0.448 25411 9114 1 17 . 1 1 79 79 ALA N N 79 123.960 123.960 124.045 -0.085 25411 9115 1 17 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.077 -0.187 25411 9116 1 17 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.611 0.279 25411 9117 1 17 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.303 -0.680 25411 9118 1 17 . 1 1 79 79 ALA H H 79 7.953 7.953 8.178 -0.225 25411 9119 1 17 . 1 1 80 80 PHE N N 80 114.330 114.330 115.654 -1.324 25411 9120 1 17 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.308 0.123 25411 9121 1 17 . 1 1 80 80 PHE CA C 80 61.312 61.312 60.108 1.204 25411 9122 1 17 . 1 1 80 80 PHE CB C 80 37.656 37.656 38.972 -1.316 25411 9123 1 17 . 1 1 80 80 PHE H H 80 7.499 7.499 8.193 -0.694 25411 9124 1 17 . 1 1 81 81 SER N N 81 115.971 115.971 114.160 1.811 25411 9125 1 17 . 1 1 81 81 SER HA H 81 4.206 4.206 4.428 -0.222 25411 9126 1 17 . 1 1 81 81 SER CA C 81 58.432 58.432 59.153 -0.721 25411 9127 1 17 . 1 1 81 81 SER CB C 81 63.575 63.575 63.621 -0.046 25411 9128 1 17 . 1 1 81 81 SER H H 81 8.225 8.225 7.910 0.315 25411 9129 1 17 . 1 1 82 82 TYR N N 82 121.997 121.997 121.990 0.007 25411 9130 1 17 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.470 -0.023 25411 9131 1 17 . 1 1 82 82 TYR CA C 82 55.885 55.885 57.730 -1.845 25411 9132 1 17 . 1 1 82 82 TYR CB C 82 37.838 37.838 37.003 0.835 25411 9133 1 17 . 1 1 82 82 TYR H H 82 8.378 8.378 7.592 0.786 25411 9134 1 17 . 1 1 83 83 TRP N N 83 120.268 120.268 120.894 -0.626 25411 9135 1 17 . 1 1 83 83 TRP CA C 83 57.393 57.393 58.885 -1.492 25411 9136 1 17 . 1 1 83 83 TRP CB C 83 28.894 28.894 28.152 0.742 25411 9137 1 17 . 1 1 83 83 TRP H H 83 8.546 8.546 8.838 -0.292 25411 9138 1 17 . 1 1 84 84 ASN HA H 84 4.220 4.220 3.660 0.560 25411 9139 1 17 . 1 1 84 84 ASN CA C 84 56.629 56.629 55.974 0.655 25411 9140 1 17 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.886 1.179 25411 9141 1 17 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.228 -0.182 25411 9142 1 17 . 1 1 85 85 LEU CA C 85 58.142 58.142 56.878 1.264 25411 9143 1 17 . 1 1 85 85 LEU CB C 85 41.692 41.692 42.057 -0.365 25411 9144 1 17 . 1 1 86 86 ILE N N 86 117.000 117.000 119.799 -2.799 25411 9145 1 17 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.513 -0.067 25411 9146 1 17 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.799 -2.516 25411 9147 1 17 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.983 -1.571 25411 9148 1 17 . 1 1 86 86 ILE H H 86 7.882 7.882 7.612 0.270 25411 9149 1 17 . 1 1 87 87 LYS HA H 87 3.226 3.226 4.024 -0.798 25411 9150 1 17 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.283 0.712 25411 9151 1 17 . 1 1 87 87 LYS CB C 87 31.050 31.050 32.141 -1.091 25411 9152 1 17 . 1 1 88 88 GLU N N 88 116.404 116.404 117.273 -0.869 25411 9153 1 17 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.396 -0.549 25411 9154 1 17 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.079 0.832 25411 9155 1 17 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.164 -0.195 25411 9156 1 17 . 1 1 88 88 GLU H H 88 7.689 7.689 7.723 -0.034 25411 9157 1 17 . 1 1 89 89 LEU N N 89 118.193 118.193 121.804 -3.611 25411 9158 1 17 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.176 -0.287 25411 9159 1 17 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.897 1.066 25411 9160 1 17 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.267 -0.967 25411 9161 1 17 . 1 1 89 89 LEU H H 89 7.415 7.415 7.632 -0.217 25411 9162 1 17 . 1 1 90 90 ILE N N 90 115.471 115.471 120.093 -4.622 25411 9163 1 17 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.724 -0.306 25411 9164 1 17 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.205 0.703 25411 9165 1 17 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.674 -0.080 25411 9166 1 17 . 1 1 90 90 ILE H H 90 7.718 7.718 7.708 0.010 25411 9167 1 17 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.490 -0.770 25411 9168 1 17 . 1 1 91 91 ASP CA C 91 57.664 57.664 57.011 0.653 25411 9169 1 17 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.085 0.447 25411 9170 1 17 . 1 1 92 92 LYS N N 92 119.253 119.253 118.710 0.543 25411 9171 1 17 . 1 1 92 92 LYS CA C 92 58.897 58.897 55.405 3.492 25411 9172 1 17 . 1 1 92 92 LYS CB C 92 31.988 31.988 31.814 0.174 25411 9173 1 17 . 1 1 92 92 LYS H H 92 7.869 7.869 7.709 0.160 25411 9174 1 17 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.985 0.546 25411 9175 1 17 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.991 -3.733 25411 9176 1 17 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.881 0.288 25411 9177 1 17 . 1 1 94 94 GLU N N 94 116.729 116.729 120.824 -4.095 25411 9178 1 17 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.076 0.057 25411 9179 1 17 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.197 0.123 25411 9180 1 17 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.300 -1.925 25411 9181 1 17 . 1 1 94 94 GLU H H 94 8.393 8.393 7.780 0.613 25411 9182 1 17 . 1 1 95 95 VAL N N 95 121.696 121.696 117.040 4.656 25411 9183 1 17 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.900 0.582 25411 9184 1 17 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.276 3.445 25411 9185 1 17 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.564 1.330 25411 9186 1 17 . 1 1 95 95 VAL H H 95 7.923 7.923 7.701 0.222 25411 9187 1 17 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.658 -0.300 25411 9188 1 17 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.291 0.316 25411 9189 1 17 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.759 -0.885 25411 9190 1 17 . 1 1 98 98 GLN N N 98 117.731 117.731 118.886 -1.155 25411 9191 1 17 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.084 -0.159 25411 9192 1 17 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.231 0.377 25411 9193 1 17 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.900 0.621 25411 9194 1 17 . 1 1 98 98 GLN H H 98 8.359 8.359 8.361 -0.002 25411 9195 1 17 . 1 1 99 99 VAL N N 99 121.326 121.326 118.279 3.047 25411 9196 1 17 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.743 -0.323 25411 9197 1 17 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.578 0.826 25411 9198 1 17 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.516 0.103 25411 9199 1 17 . 1 1 99 99 VAL H H 99 7.901 7.901 8.237 -0.336 25411 9200 1 17 . 1 1 100 100 MET N N 100 120.447 120.447 116.317 4.130 25411 9201 1 17 . 1 1 100 100 MET HA H 100 3.812 3.812 4.371 -0.559 25411 9202 1 17 . 1 1 100 100 MET CA C 100 59.297 59.297 58.020 1.277 25411 9203 1 17 . 1 1 100 100 MET CB C 100 32.099 32.099 33.205 -1.106 25411 9204 1 17 . 1 1 100 100 MET H H 100 7.509 7.509 7.475 0.034 25411 9205 1 17 . 1 1 101 101 ALA N N 101 119.458 119.458 121.375 -1.917 25411 9206 1 17 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.132 0.078 25411 9207 1 17 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.220 0.532 25411 9208 1 17 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.466 -0.945 25411 9209 1 17 . 1 1 101 101 ALA H H 101 7.889 7.889 7.587 0.302 25411 9210 1 17 . 1 1 102 102 ALA N N 102 119.627 119.627 121.315 -1.688 25411 9211 1 17 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.095 -0.102 25411 9212 1 17 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.544 0.344 25411 9213 1 17 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.430 -1.086 25411 9214 1 17 . 1 1 102 102 ALA H H 102 7.563 7.563 8.273 -0.710 25411 9215 1 17 . 1 1 103 103 VAL N N 103 122.690 122.690 117.829 4.861 25411 9216 1 17 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.822 0.251 25411 9217 1 17 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.368 -3.683 25411 9218 1 17 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.746 1.476 25411 9219 1 17 . 1 1 103 103 VAL H H 103 8.828 8.828 7.919 0.909 25411 9220 1 17 . 1 1 104 104 ALA N N 104 128.041 128.041 119.872 8.169 25411 9221 1 17 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.150 0.119 25411 9222 1 17 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.744 -2.603 25411 9223 1 17 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.390 0.550 25411 9224 1 17 . 1 1 104 104 ALA H H 104 8.367 8.367 7.570 0.797 25411 9225 1 17 . 1 1 105 105 GLN N N 105 120.265 120.265 116.357 3.908 25411 9226 1 17 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.232 -0.301 25411 9227 1 17 . 1 1 105 105 GLN CB C 105 29.020 29.020 29.277 -0.257 25411 9228 1 17 . 1 1 105 105 GLN H H 105 8.356 8.356 7.778 0.578 25411 9229 1 17 . 1 1 106 106 THR HA H 106 4.320 4.320 4.333 -0.013 25411 9230 1 17 . 1 1 106 106 THR CA C 106 61.346 61.346 64.847 -3.501 25411 9231 1 17 . 1 1 106 106 THR CB C 106 69.293 69.293 68.996 0.297 25411 9232 1 17 . 1 1 107 107 GLU N N 107 122.706 122.706 120.873 1.833 25411 9233 1 17 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.172 0.010 25411 9234 1 17 . 1 1 107 107 GLU CA C 107 56.576 56.576 58.305 -1.729 25411 9235 1 17 . 1 1 107 107 GLU CB C 107 29.936 29.936 30.630 -0.694 25411 9236 1 17 . 1 1 107 107 GLU H H 107 8.404 8.404 7.596 0.808 25411 9237 1 17 . 1 1 108 108 GLU N N 108 122.034 122.034 115.066 6.968 25411 9238 1 17 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.167 -0.006 25411 9239 1 17 . 1 1 108 108 GLU CA C 108 56.649 56.649 56.934 -0.285 25411 9240 1 17 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.490 0.186 25411 9241 1 17 . 1 1 108 108 GLU H H 108 7.341 7.341 7.587 -0.246 25411 9242 1 17 . 1 1 109 109 ILE N N 109 122.151 122.151 115.657 6.494 25411 9243 1 17 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.115 -0.068 25411 9244 1 17 . 1 1 109 109 ILE CA C 109 61.565 61.565 63.800 -2.235 25411 9245 1 17 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.128 -0.024 25411 9246 1 17 . 1 1 109 109 ILE H H 109 8.058 8.058 8.776 -0.718 25411 9247 1 17 . 1 1 110 110 LEU N N 110 122.427 122.427 118.689 3.738 25411 9248 1 17 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.367 -0.091 25411 9249 1 17 . 1 1 110 110 LEU CA C 110 55.151 55.151 54.625 0.526 25411 9250 1 17 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.269 -8.014 25411 9251 1 17 . 1 1 110 110 LEU H H 110 8.194 8.194 7.950 0.244 25411 9252 1 17 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.187 0.060 25411 9253 1 17 . 1 1 111 111 LYS CA C 111 56.137 56.137 57.340 -1.203 25411 9254 1 17 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.260 0.309 25411 9255 1 17 . 1 1 112 112 SER N N 112 116.453 116.453 114.111 2.342 25411 9256 1 17 . 1 1 112 112 SER HA H 112 4.175 4.175 4.146 0.029 25411 9257 1 17 . 1 1 112 112 SER CA C 112 58.311 58.311 58.831 -0.520 25411 9258 1 17 . 1 1 112 112 SER CB C 112 63.441 63.441 61.845 1.596 25411 9259 1 17 . 1 1 112 112 SER H H 112 8.204 8.204 8.125 0.079 25411 9260 1 17 . 1 1 113 113 ASN N N 113 119.747 119.747 115.346 4.401 25411 9261 1 17 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.463 0.181 25411 9262 1 17 . 1 1 113 113 ASN CA C 113 53.645 53.645 54.671 -1.026 25411 9263 1 17 . 1 1 113 113 ASN CB C 113 38.646 38.646 38.472 0.174 25411 9264 1 17 . 1 1 113 113 ASN H H 113 7.944 7.944 8.532 -0.588 25411 9265 1 17 . 1 1 114 114 SER N N 114 115.433 115.433 113.801 1.632 25411 9266 1 17 . 1 1 114 114 SER HA H 114 4.336 4.336 4.577 -0.241 25411 9267 1 17 . 1 1 114 114 SER CA C 114 58.711 58.711 57.847 0.863 25411 9268 1 17 . 1 1 114 114 SER CB C 114 63.308 63.308 63.236 0.072 25411 9269 1 17 . 1 1 114 114 SER H H 114 7.962 7.962 7.803 0.159 25411 9270 1 17 . 1 1 115 115 GLN N N 115 121.682 121.682 119.021 2.661 25411 9271 1 17 . 1 1 115 115 GLN HA H 115 4.274 4.274 3.919 0.355 25411 9272 1 17 . 1 1 115 115 GLN CA C 115 56.193 56.193 58.948 -2.755 25411 9273 1 17 . 1 1 115 115 GLN CB C 115 28.807 28.807 27.667 1.140 25411 9274 1 17 . 1 1 115 115 GLN H H 115 8.207 8.207 8.377 -0.170 25411 9275 1 17 . 1 1 116 116 THR N N 116 114.715 114.715 107.134 7.581 25411 9276 1 17 . 1 1 116 116 THR HA H 116 4.225 4.225 4.891 -0.666 25411 9277 1 17 . 1 1 116 116 THR CA C 116 62.109 62.109 59.575 2.534 25411 9278 1 17 . 1 1 116 116 THR CB C 116 69.336 69.336 72.187 -2.851 25411 9279 1 17 . 1 1 116 116 THR H H 116 8.062 8.062 7.748 0.314 25411 9280 1 17 . 1 1 117 117 ASP N N 117 122.602 122.602 121.767 0.835 25411 9281 1 17 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.302 0.266 25411 9282 1 17 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.660 -2.457 25411 9283 1 17 . 1 1 117 117 ASP CB C 117 40.665 40.665 39.649 1.016 25411 9284 1 17 . 1 1 117 117 ASP H H 117 8.065 8.065 8.418 -0.353 25411 9285 1 17 . 1 1 118 118 LEU N N 118 122.140 122.140 118.806 3.334 25411 9286 1 17 . 1 1 118 118 LEU HA H 118 4.155 4.155 3.805 0.350 25411 9287 1 17 . 1 1 118 118 LEU CA C 118 55.423 55.423 55.826 -0.403 25411 9288 1 17 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.663 0.210 25411 9289 1 17 . 1 1 118 118 LEU H H 118 8.085 8.085 7.908 0.177 25411 9290 1 17 . 1 1 119 119 GLU N N 119 119.672 119.672 116.540 3.132 25411 9291 1 17 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.723 0.345 25411 9292 1 17 . 1 1 119 119 GLU CA C 119 56.565 56.565 58.023 -1.458 25411 9293 1 17 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.657 1.915 25411 9294 1 17 . 1 1 119 119 GLU H H 119 8.143 8.143 7.844 0.299 25411 9295 1 17 . 1 1 120 120 HIS N N 120 118.301 118.301 120.760 -2.459 25411 9296 1 17 . 1 1 120 120 HIS CA C 120 55.883 55.883 55.430 0.453 25411 9297 1 17 . 1 1 120 120 HIS CB C 120 29.270 29.270 27.954 1.316 25411 9298 1 17 . 1 1 120 120 HIS H H 120 8.107 8.107 7.310 0.797 25411 9299 1 17 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.123 -0.115 25411 9300 1 17 . 1 1 121 121 HIS CA C 121 55.166 55.166 56.928 -1.762 25411 9301 1 17 . 1 1 121 121 HIS CB C 121 28.759 28.759 27.032 1.727 25411 9302 1 17 . 1 1 122 122 HIS N N 122 122.407 122.407 118.615 3.792 25411 9303 1 17 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.733 -0.515 25411 9304 1 17 . 1 1 122 122 HIS CA C 122 56.081 56.081 53.881 2.200 25411 9305 1 17 . 1 1 122 122 HIS CB C 122 29.371 29.371 31.875 -2.504 25411 9306 1 17 . 1 1 122 122 HIS H H 122 8.489 8.489 8.001 0.488 25411 9307 1 17 . 1 1 123 123 HIS N N 123 122.868 122.868 119.209 3.659 25411 9308 1 17 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.387 0.000 25411 9309 1 17 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.889 -0.578 25411 9310 1 17 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.698 -0.196 25411 9311 1 17 . 1 1 123 123 HIS H H 123 8.596 8.596 8.493 0.103 25411 9312 1 17 . 1 1 124 124 HIS N N 124 123.734 123.734 123.671 0.063 25411 9313 1 17 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.817 -0.260 25411 9314 1 17 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.485 0.900 25411 9315 1 17 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.080 1.278 25411 9316 1 17 . 1 1 124 124 HIS H H 124 8.255 8.255 8.160 0.095 25411 9317 1 18 . 1 1 3 3 GLN N N 3 122.360 122.360 120.448 1.912 25411 9318 1 18 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.259 -0.371 25411 9319 1 18 . 1 1 3 3 GLN CA C 3 58.742 58.742 57.162 1.580 25411 9320 1 18 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.745 -0.362 25411 9321 1 18 . 1 1 3 3 GLN H H 3 9.398 9.398 8.722 0.676 25411 9322 1 18 . 1 1 4 4 GLU N N 4 119.689 119.689 119.847 -0.158 25411 9323 1 18 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.177 0.497 25411 9324 1 18 . 1 1 4 4 GLU CA C 4 57.807 57.807 58.069 -0.262 25411 9325 1 18 . 1 1 4 4 GLU CB C 4 28.700 28.700 29.072 -0.372 25411 9326 1 18 . 1 1 4 4 GLU H H 4 7.464 7.464 8.860 -1.396 25411 9327 1 18 . 1 1 5 5 LEU N N 5 114.872 114.872 122.410 -7.538 25411 9328 1 18 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.112 -0.411 25411 9329 1 18 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.131 -0.393 25411 9330 1 18 . 1 1 5 5 LEU CB C 5 40.815 40.815 42.020 -1.205 25411 9331 1 18 . 1 1 5 5 LEU H H 5 8.206 8.206 7.569 0.637 25411 9332 1 18 . 1 1 6 6 SER N N 6 109.762 109.762 113.393 -3.631 25411 9333 1 18 . 1 1 6 6 SER HA H 6 4.092 4.092 4.125 -0.033 25411 9334 1 18 . 1 1 6 6 SER CA C 6 60.415 60.415 61.937 -1.522 25411 9335 1 18 . 1 1 6 6 SER CB C 6 63.391 63.391 62.523 0.869 25411 9336 1 18 . 1 1 6 6 SER H H 6 8.253 8.253 8.185 0.068 25411 9337 1 18 . 1 1 7 7 GLN N N 7 117.498 117.498 122.387 -4.889 25411 9338 1 18 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.157 -0.202 25411 9339 1 18 . 1 1 7 7 GLN CA C 7 58.425 58.425 57.990 0.435 25411 9340 1 18 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.305 0.434 25411 9341 1 18 . 1 1 7 7 GLN H H 7 8.673 8.673 7.897 0.776 25411 9342 1 18 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.353 -0.556 25411 9343 1 18 . 1 1 8 8 HIS CA C 8 59.055 59.055 60.641 -1.586 25411 9344 1 18 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.303 -1.194 25411 9345 1 18 . 1 1 9 9 GLU N N 9 120.354 120.354 119.509 0.845 25411 9346 1 18 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.388 -0.429 25411 9347 1 18 . 1 1 9 9 GLU CA C 9 60.258 60.258 58.557 1.701 25411 9348 1 18 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.392 -0.165 25411 9349 1 18 . 1 1 9 9 GLU H H 9 7.690 7.690 8.500 -0.810 25411 9350 1 18 . 1 1 10 10 ARG N N 10 118.753 118.753 120.346 -1.593 25411 9351 1 18 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.018 0.081 25411 9352 1 18 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.582 -1.361 25411 9353 1 18 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.135 -1.040 25411 9354 1 18 . 1 1 10 10 ARG H H 10 8.928 8.928 8.087 0.841 25411 9355 1 18 . 1 1 11 11 TYR N N 11 121.288 121.288 119.429 1.859 25411 9356 1 18 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.259 -0.070 25411 9357 1 18 . 1 1 11 11 TYR CA C 11 61.236 61.236 61.973 -0.737 25411 9358 1 18 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.068 -0.207 25411 9359 1 18 . 1 1 11 11 TYR H H 11 7.562 7.562 8.555 -0.993 25411 9360 1 18 . 1 1 12 12 VAL N N 12 119.304 119.304 119.515 -0.211 25411 9361 1 18 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.609 -0.526 25411 9362 1 18 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.274 0.561 25411 9363 1 18 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.756 -0.657 25411 9364 1 18 . 1 1 12 12 VAL H H 12 8.075 8.075 7.424 0.651 25411 9365 1 18 . 1 1 13 13 GLU N N 13 119.685 119.685 119.744 -0.059 25411 9366 1 18 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.013 0.142 25411 9367 1 18 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.354 0.071 25411 9368 1 18 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.271 -0.083 25411 9369 1 18 . 1 1 13 13 GLU H H 13 8.278 8.278 7.980 0.298 25411 9370 1 18 . 1 1 14 14 GLN N N 14 119.682 119.682 119.948 -0.266 25411 9371 1 18 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.092 -0.436 25411 9372 1 18 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.726 1.243 25411 9373 1 18 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.387 1.286 25411 9374 1 18 . 1 1 14 14 GLN H H 14 7.653 7.653 8.313 -0.660 25411 9375 1 18 . 1 1 15 15 LEU N N 15 121.000 121.000 118.837 2.163 25411 9376 1 18 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.196 -0.275 25411 9377 1 18 . 1 1 15 15 LEU CA C 15 58.455 58.455 56.915 1.540 25411 9378 1 18 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.178 -0.418 25411 9379 1 18 . 1 1 15 15 LEU H H 15 8.402 8.402 8.525 -0.123 25411 9380 1 18 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.869 -0.173 25411 9381 1 18 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.395 -0.137 25411 9382 1 18 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.309 -0.174 25411 9383 1 18 . 1 1 17 17 GLN N N 17 117.558 117.558 118.518 -0.960 25411 9384 1 18 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.062 -0.175 25411 9385 1 18 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.724 -0.282 25411 9386 1 18 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.722 -0.677 25411 9387 1 18 . 1 1 17 17 GLN H H 17 7.849 7.849 7.833 0.016 25411 9388 1 18 . 1 1 18 18 ALA N N 18 120.288 120.288 122.976 -2.688 25411 9389 1 18 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.141 -0.353 25411 9390 1 18 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.940 -0.047 25411 9391 1 18 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.666 -1.270 25411 9392 1 18 . 1 1 18 18 ALA H H 18 8.504 8.504 8.152 0.352 25411 9393 1 18 . 1 1 19 19 LEU N N 19 116.974 116.974 117.754 -0.780 25411 9394 1 18 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.088 -0.329 25411 9395 1 18 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.766 0.786 25411 9396 1 18 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.590 -0.897 25411 9397 1 18 . 1 1 19 19 LEU H H 19 8.143 8.143 8.259 -0.116 25411 9398 1 18 . 1 1 20 20 LYS N N 20 117.776 117.776 121.874 -4.098 25411 9399 1 18 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.051 -0.096 25411 9400 1 18 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.497 0.047 25411 9401 1 18 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.384 -1.898 25411 9402 1 18 . 1 1 20 20 LYS H H 20 8.340 8.340 8.102 0.238 25411 9403 1 18 . 1 1 21 21 THR N N 21 116.373 116.373 112.102 4.271 25411 9404 1 18 . 1 1 21 21 THR HA H 21 4.107 4.107 4.221 -0.114 25411 9405 1 18 . 1 1 21 21 THR CA C 21 64.611 64.611 64.614 -0.003 25411 9406 1 18 . 1 1 21 21 THR CB C 21 68.811 68.811 68.378 0.433 25411 9407 1 18 . 1 1 21 21 THR H H 21 7.302 7.302 7.795 -0.493 25411 9408 1 18 . 1 1 22 22 ARG N N 22 118.647 118.647 119.557 -0.910 25411 9409 1 18 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.489 -0.127 25411 9410 1 18 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.727 -1.661 25411 9411 1 18 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.249 -1.721 25411 9412 1 18 . 1 1 22 22 ARG H H 22 7.290 7.290 7.558 -0.268 25411 9413 1 18 . 1 1 23 23 GLY N N 23 108.637 108.637 107.944 0.693 25411 9414 1 18 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.216 0.896 25411 9415 1 18 . 1 1 23 23 GLY H H 23 7.881 7.881 7.594 0.287 25411 9416 1 18 . 1 1 24 24 VAL N N 24 117.390 117.390 124.133 -6.743 25411 9417 1 18 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.883 0.131 25411 9418 1 18 . 1 1 24 24 VAL CA C 24 61.668 61.668 63.219 -1.551 25411 9419 1 18 . 1 1 24 24 VAL CB C 24 32.372 32.372 31.160 1.212 25411 9420 1 18 . 1 1 24 24 VAL H H 24 7.333 7.333 7.395 -0.062 25411 9421 1 18 . 1 1 25 25 LYS N N 25 127.322 127.322 126.970 0.352 25411 9422 1 18 . 1 1 25 25 LYS HA H 25 4.332 4.332 4.088 0.244 25411 9423 1 18 . 1 1 25 25 LYS CA C 25 55.762 55.762 56.962 -1.200 25411 9424 1 18 . 1 1 25 25 LYS CB C 25 31.761 31.761 32.654 -0.893 25411 9425 1 18 . 1 1 25 25 LYS H H 25 8.722 8.722 8.421 0.301 25411 9426 1 18 . 1 1 26 26 VAL N N 26 120.568 120.568 120.287 0.281 25411 9427 1 18 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.265 -0.187 25411 9428 1 18 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.301 -0.636 25411 9429 1 18 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.424 0.223 25411 9430 1 18 . 1 1 26 26 VAL H H 26 7.119 7.119 8.087 -0.968 25411 9431 1 18 . 1 1 27 27 LYS N N 27 125.675 125.675 126.455 -0.780 25411 9432 1 18 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.396 -0.070 25411 9433 1 18 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.275 0.136 25411 9434 1 18 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.816 -2.857 25411 9435 1 18 . 1 1 27 27 LYS H H 27 8.570 8.570 8.113 0.457 25411 9436 1 18 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.427 -0.410 25411 9437 1 18 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.915 -2.503 25411 9438 1 18 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.723 2.117 25411 9439 1 18 . 1 1 29 29 ALA N N 29 120.743 120.743 127.928 -7.185 25411 9440 1 18 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.115 -0.447 25411 9441 1 18 . 1 1 29 29 ALA CA C 29 54.678 54.678 54.812 -0.134 25411 9442 1 18 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.872 -0.872 25411 9443 1 18 . 1 1 29 29 ALA H H 29 8.323 8.323 8.652 -0.329 25411 9444 1 18 . 1 1 30 30 ASP N N 30 117.202 117.202 116.666 0.536 25411 9445 1 18 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.424 -0.143 25411 9446 1 18 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.805 -0.252 25411 9447 1 18 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.387 0.420 25411 9448 1 18 . 1 1 30 30 ASP H H 30 6.872 6.872 8.740 -1.868 25411 9449 1 18 . 1 1 31 31 LEU N N 31 122.273 122.273 120.091 2.182 25411 9450 1 18 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.349 -0.803 25411 9451 1 18 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.768 -0.043 25411 9452 1 18 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.353 -1.695 25411 9453 1 18 . 1 1 31 31 LEU H H 31 7.433 7.433 7.304 0.129 25411 9454 1 18 . 1 1 32 32 LEU N N 32 123.376 123.376 119.881 3.495 25411 9455 1 18 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.170 -0.555 25411 9456 1 18 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.784 -0.688 25411 9457 1 18 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.921 -1.379 25411 9458 1 18 . 1 1 32 32 LEU H H 32 8.727 8.727 7.750 0.977 25411 9459 1 18 . 1 1 33 33 LYS N N 33 118.078 118.078 119.753 -1.675 25411 9460 1 18 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.036 0.177 25411 9461 1 18 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.346 -0.249 25411 9462 1 18 . 1 1 33 33 LYS CB C 33 31.890 31.890 31.799 0.091 25411 9463 1 18 . 1 1 33 33 LYS H H 33 7.149 7.149 7.335 -0.186 25411 9464 1 18 . 1 1 34 34 PHE N N 34 117.398 117.398 121.196 -3.798 25411 9465 1 18 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.668 -4.973 25411 9466 1 18 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.032 2.187 25411 9467 1 18 . 1 1 34 34 PHE H H 34 7.633 7.633 8.404 -0.771 25411 9468 1 18 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.126 -0.333 25411 9469 1 18 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.795 -0.203 25411 9470 1 18 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.295 -2.281 25411 9471 1 18 . 1 1 36 36 ASP N N 36 120.136 120.136 120.154 -0.018 25411 9472 1 18 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.517 -0.421 25411 9473 1 18 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.884 -0.943 25411 9474 1 18 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.971 -1.867 25411 9475 1 18 . 1 1 36 36 ASP H H 36 8.330 8.330 8.619 -0.289 25411 9476 1 18 . 1 1 37 37 PHE N N 37 121.883 121.883 119.069 2.814 25411 9477 1 18 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.382 -0.124 25411 9478 1 18 . 1 1 37 37 PHE CA C 37 59.698 59.698 60.918 -1.220 25411 9479 1 18 . 1 1 37 37 PHE CB C 37 40.185 40.185 38.950 1.234 25411 9480 1 18 . 1 1 37 37 PHE H H 37 7.794 7.794 8.524 -0.730 25411 9481 1 18 . 1 1 38 38 VAL N N 38 118.525 118.525 119.389 -0.864 25411 9482 1 18 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.586 -0.547 25411 9483 1 18 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.212 0.670 25411 9484 1 18 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.515 -0.827 25411 9485 1 18 . 1 1 38 38 VAL H H 38 8.262 8.262 8.020 0.242 25411 9486 1 18 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.980 -0.524 25411 9487 1 18 . 1 1 39 39 LYS CA C 39 59.054 59.054 58.886 0.168 25411 9488 1 18 . 1 1 39 39 LYS CB C 39 31.696 31.696 32.123 -0.427 25411 9489 1 18 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.552 -0.107 25411 9490 1 18 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.040 0.945 25411 9491 1 18 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.478 -0.786 25411 9492 1 18 . 1 1 41 41 ILE N N 41 120.641 120.641 118.879 1.762 25411 9493 1 18 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.104 -0.079 25411 9494 1 18 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.946 -3.294 25411 9495 1 18 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.976 -0.912 25411 9496 1 18 . 1 1 41 41 ILE H H 41 8.788 8.788 8.239 0.549 25411 9497 1 18 . 1 1 42 42 CYS N N 42 117.896 117.896 115.342 2.554 25411 9498 1 18 . 1 1 42 42 CYS CA C 42 56.172 56.172 56.492 -0.320 25411 9499 1 18 . 1 1 42 42 CYS CB C 42 28.324 28.324 27.999 0.325 25411 9500 1 18 . 1 1 42 42 CYS H H 42 7.180 7.180 7.747 -0.567 25411 9501 1 18 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.041 0.274 25411 9502 1 18 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.475 0.528 25411 9503 1 18 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.127 -0.412 25411 9504 1 18 . 1 1 44 44 TRP N N 44 113.823 113.823 115.588 -1.765 25411 9505 1 18 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.529 -0.224 25411 9506 1 18 . 1 1 44 44 TRP CA C 44 55.398 55.398 55.970 -0.572 25411 9507 1 18 . 1 1 44 44 TRP CB C 44 27.811 27.811 28.803 -0.992 25411 9508 1 18 . 1 1 44 44 TRP H H 44 6.591 6.591 7.533 -0.942 25411 9509 1 18 . 1 1 45 45 PHE N N 45 123.100 123.100 116.576 6.524 25411 9510 1 18 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.022 -1.021 25411 9511 1 18 . 1 1 45 45 PHE CA C 45 62.809 62.809 55.267 7.542 25411 9512 1 18 . 1 1 45 45 PHE CB C 45 34.935 34.935 37.796 -2.861 25411 9513 1 18 . 1 1 45 45 PHE H H 45 7.239 7.239 7.876 -0.637 25411 9514 1 18 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.213 -0.201 25411 9515 1 18 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.937 -0.406 25411 9516 1 18 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.609 -1.122 25411 9517 1 18 . 1 1 47 47 GLN N N 47 114.502 114.502 116.668 -2.166 25411 9518 1 18 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.146 -0.209 25411 9519 1 18 . 1 1 47 47 GLN CA C 47 58.404 58.404 57.965 0.439 25411 9520 1 18 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.594 0.726 25411 9521 1 18 . 1 1 47 47 GLN H H 47 6.518 6.518 8.581 -2.063 25411 9522 1 18 . 1 1 48 48 GLU N N 48 117.358 117.358 119.222 -1.864 25411 9523 1 18 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.230 -0.192 25411 9524 1 18 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.814 1.358 25411 9525 1 18 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.386 -1.432 25411 9526 1 18 . 1 1 48 48 GLU H H 48 7.318 7.318 7.887 -0.569 25411 9527 1 18 . 1 1 49 49 GLY N N 49 105.534 105.534 109.383 -3.849 25411 9528 1 18 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.948 1.355 25411 9529 1 18 . 1 1 49 49 GLY H H 49 7.296 7.296 8.004 -0.708 25411 9530 1 18 . 1 1 50 50 THR N N 50 114.069 114.069 113.134 0.935 25411 9531 1 18 . 1 1 50 50 THR HA H 50 4.234 4.234 4.509 -0.275 25411 9532 1 18 . 1 1 50 50 THR CA C 50 61.683 61.683 59.963 1.720 25411 9533 1 18 . 1 1 50 50 THR CB C 50 70.718 70.718 70.815 -0.097 25411 9534 1 18 . 1 1 50 50 THR H H 50 7.597 7.597 7.522 0.075 25411 9535 1 18 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.159 -0.034 25411 9536 1 18 . 1 1 51 51 ILE CA C 51 59.870 59.870 60.887 -1.017 25411 9537 1 18 . 1 1 51 51 ILE CB C 51 35.288 35.288 38.507 -3.219 25411 9538 1 18 . 1 1 52 52 ASP N N 52 121.791 121.791 126.431 -4.640 25411 9539 1 18 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.845 -0.222 25411 9540 1 18 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.831 -1.099 25411 9541 1 18 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.006 -1.545 25411 9542 1 18 . 1 1 52 52 ASP H H 52 7.168 7.168 8.287 -1.119 25411 9543 1 18 . 1 1 53 53 ILE N N 53 119.537 119.537 119.305 0.232 25411 9544 1 18 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.371 -0.236 25411 9545 1 18 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.202 -0.406 25411 9546 1 18 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.155 -1.340 25411 9547 1 18 . 1 1 53 53 ILE H H 53 8.336 8.336 8.522 -0.186 25411 9548 1 18 . 1 1 54 54 LYS N N 54 123.592 123.592 122.005 1.587 25411 9549 1 18 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.262 -0.157 25411 9550 1 18 . 1 1 54 54 LYS CA C 54 59.972 59.972 59.984 -0.012 25411 9551 1 18 . 1 1 54 54 LYS CB C 54 31.748 31.748 31.981 -0.233 25411 9552 1 18 . 1 1 54 54 LYS H H 54 8.104 8.104 8.425 -0.321 25411 9553 1 18 . 1 1 55 55 ARG N N 55 120.511 120.511 120.077 0.434 25411 9554 1 18 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.218 0.083 25411 9555 1 18 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.958 -0.055 25411 9556 1 18 . 1 1 55 55 ARG CB C 55 30.056 30.056 29.997 0.059 25411 9557 1 18 . 1 1 55 55 ARG H H 55 9.196 9.196 8.447 0.749 25411 9558 1 18 . 1 1 56 56 TRP N N 56 120.681 120.681 120.556 0.125 25411 9559 1 18 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.457 0.246 25411 9560 1 18 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.489 -1.083 25411 9561 1 18 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.021 0.993 25411 9562 1 18 . 1 1 56 56 TRP H H 56 8.899 8.899 8.252 0.647 25411 9563 1 18 . 1 1 57 57 ARG N N 57 122.115 122.115 119.697 2.418 25411 9564 1 18 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.942 0.465 25411 9565 1 18 . 1 1 57 57 ARG CA C 57 60.027 60.027 58.794 1.233 25411 9566 1 18 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.740 0.046 25411 9567 1 18 . 1 1 57 57 ARG H H 57 9.210 9.210 8.488 0.722 25411 9568 1 18 . 1 1 58 58 ARG N N 58 120.918 120.918 119.699 1.219 25411 9569 1 18 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.486 0.359 25411 9570 1 18 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.087 -0.358 25411 9571 1 18 . 1 1 58 58 ARG H H 58 7.640 7.640 7.762 -0.122 25411 9572 1 18 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.586 0.178 25411 9573 1 18 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.339 0.661 25411 9574 1 18 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.550 -0.718 25411 9575 1 18 . 1 1 59 59 VAL H H 59 7.916 7.916 7.622 0.294 25411 9576 1 18 . 1 1 60 60 GLY N N 60 106.856 106.856 106.930 -0.074 25411 9577 1 18 . 1 1 60 60 GLY CA C 60 46.081 46.081 46.857 -0.776 25411 9578 1 18 . 1 1 60 60 GLY H H 60 7.623 7.623 8.054 -0.431 25411 9579 1 18 . 1 1 61 61 ASP N N 61 123.308 123.308 123.414 -0.106 25411 9580 1 18 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.726 -0.501 25411 9581 1 18 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.917 -0.117 25411 9582 1 18 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.854 -1.370 25411 9583 1 18 . 1 1 61 61 ASP H H 61 8.203 8.203 8.103 0.100 25411 9584 1 18 . 1 1 62 62 CYS N N 62 120.841 120.841 118.489 2.352 25411 9585 1 18 . 1 1 62 62 CYS HA H 62 4.238 4.238 3.983 0.255 25411 9586 1 18 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.198 -1.248 25411 9587 1 18 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.675 -0.172 25411 9588 1 18 . 1 1 62 62 CYS H H 62 7.795 7.795 7.547 0.248 25411 9589 1 18 . 1 1 63 63 PHE N N 63 119.763 119.763 118.267 1.496 25411 9590 1 18 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.322 -0.044 25411 9591 1 18 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.193 -2.536 25411 9592 1 18 . 1 1 63 63 PHE CB C 63 36.990 36.990 37.785 -0.795 25411 9593 1 18 . 1 1 63 63 PHE H H 63 8.647 8.647 7.586 1.061 25411 9594 1 18 . 1 1 64 64 GLN N N 64 118.578 118.578 120.059 -1.481 25411 9595 1 18 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.090 0.218 25411 9596 1 18 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.931 0.402 25411 9597 1 18 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.446 0.133 25411 9598 1 18 . 1 1 64 64 GLN H H 64 8.261 8.261 8.388 -0.127 25411 9599 1 18 . 1 1 65 65 ASP N N 65 119.534 119.534 121.359 -1.825 25411 9600 1 18 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.371 0.113 25411 9601 1 18 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.197 0.132 25411 9602 1 18 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.943 -1.272 25411 9603 1 18 . 1 1 65 65 ASP H H 65 8.338 8.338 8.526 -0.188 25411 9604 1 18 . 1 1 66 66 TYR N N 66 123.600 123.600 121.977 1.623 25411 9605 1 18 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.908 0.594 25411 9606 1 18 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.038 -0.807 25411 9607 1 18 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.538 -0.105 25411 9608 1 18 . 1 1 66 66 TYR H H 66 7.804 7.804 8.295 -0.491 25411 9609 1 18 . 1 1 67 67 TYR N N 67 122.825 122.825 118.098 4.727 25411 9610 1 18 . 1 1 67 67 TYR HA H 67 3.997 3.997 4.248 -0.251 25411 9611 1 18 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.648 0.255 25411 9612 1 18 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.641 0.305 25411 9613 1 18 . 1 1 67 67 TYR H H 67 9.100 9.100 8.386 0.714 25411 9614 1 18 . 1 1 68 68 ASN N N 68 118.826 118.826 117.247 1.579 25411 9615 1 18 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.338 -0.055 25411 9616 1 18 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.874 -0.443 25411 9617 1 18 . 1 1 68 68 ASN CB C 68 37.876 37.876 37.909 -0.033 25411 9618 1 18 . 1 1 68 68 ASN H H 68 8.853 8.853 8.594 0.259 25411 9619 1 18 . 1 1 69 69 THR N N 69 114.242 114.242 115.238 -0.996 25411 9620 1 18 . 1 1 69 69 THR HA H 69 3.837 3.837 4.054 -0.217 25411 9621 1 18 . 1 1 69 69 THR CA C 69 65.328 65.328 65.157 0.171 25411 9622 1 18 . 1 1 69 69 THR CB C 69 69.249 69.249 68.039 1.210 25411 9623 1 18 . 1 1 69 69 THR H H 69 7.847 7.847 8.094 -0.247 25411 9624 1 18 . 1 1 70 70 PHE N N 70 117.970 117.970 118.645 -0.675 25411 9625 1 18 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.366 0.198 25411 9626 1 18 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.906 0.336 25411 9627 1 18 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.378 2.696 25411 9628 1 18 . 1 1 70 70 PHE H H 70 8.489 8.489 7.162 1.327 25411 9629 1 18 . 1 1 71 71 GLY N N 71 109.516 109.516 108.268 1.248 25411 9630 1 18 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.809 0.223 25411 9631 1 18 . 1 1 71 71 GLY H H 71 7.968 7.968 7.505 0.463 25411 9632 1 18 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.408 0.303 25411 9633 1 18 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.168 1.129 25411 9634 1 18 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.311 0.433 25411 9635 1 18 . 1 1 73 73 GLU N N 73 117.720 117.720 126.701 -8.981 25411 9636 1 18 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.046 -0.147 25411 9637 1 18 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.663 0.073 25411 9638 1 18 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.583 -0.720 25411 9639 1 18 . 1 1 73 73 GLU H H 73 8.586 8.586 8.464 0.122 25411 9640 1 18 . 1 1 74 74 LYS N N 74 116.974 116.974 118.760 -1.786 25411 9641 1 18 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.408 -0.019 25411 9642 1 18 . 1 1 74 74 LYS CA C 74 55.185 55.185 54.740 0.445 25411 9643 1 18 . 1 1 74 74 LYS CB C 74 34.087 34.087 30.953 3.134 25411 9644 1 18 . 1 1 74 74 LYS H H 74 7.505 7.505 8.181 -0.676 25411 9645 1 18 . 1 1 75 75 VAL N N 75 117.309 117.309 123.383 -6.074 25411 9646 1 18 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.195 0.118 25411 9647 1 18 . 1 1 75 75 VAL CA C 75 62.045 62.045 61.395 0.650 25411 9648 1 18 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.319 -0.335 25411 9649 1 18 . 1 1 75 75 VAL H H 75 7.402 7.402 7.396 0.006 25411 9650 1 18 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.556 0.006 25411 9651 1 18 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.998 -1.311 25411 9652 1 18 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.689 -0.958 25411 9653 1 18 . 1 1 77 77 VAL N N 77 120.870 120.870 121.035 -0.165 25411 9654 1 18 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.171 -0.343 25411 9655 1 18 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.441 1.397 25411 9656 1 18 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.093 -0.706 25411 9657 1 18 . 1 1 77 77 VAL H H 77 8.473 8.473 8.859 -0.386 25411 9658 1 18 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.889 -0.037 25411 9659 1 18 . 1 1 78 78 ILE CA C 78 61.125 61.125 63.864 -2.739 25411 9660 1 18 . 1 1 78 78 ILE CB C 78 37.135 37.135 37.153 -0.018 25411 9661 1 18 . 1 1 78 78 ILE H H 78 8.388 8.388 7.863 0.525 25411 9662 1 18 . 1 1 79 79 ALA N N 79 123.960 123.960 122.251 1.709 25411 9663 1 18 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.095 -0.205 25411 9664 1 18 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.617 0.272 25411 9665 1 18 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.258 -0.635 25411 9666 1 18 . 1 1 79 79 ALA H H 79 7.953 7.953 7.970 -0.017 25411 9667 1 18 . 1 1 80 80 PHE N N 80 114.330 114.330 114.661 -0.331 25411 9668 1 18 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.596 -0.165 25411 9669 1 18 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.783 1.529 25411 9670 1 18 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.175 -1.519 25411 9671 1 18 . 1 1 80 80 PHE H H 80 7.499 7.499 8.204 -0.705 25411 9672 1 18 . 1 1 81 81 SER N N 81 115.971 115.971 113.573 2.398 25411 9673 1 18 . 1 1 81 81 SER HA H 81 4.206 4.206 4.552 -0.346 25411 9674 1 18 . 1 1 81 81 SER CA C 81 58.432 58.432 59.089 -0.657 25411 9675 1 18 . 1 1 81 81 SER CB C 81 63.575 63.575 63.775 -0.200 25411 9676 1 18 . 1 1 81 81 SER H H 81 8.225 8.225 7.644 0.581 25411 9677 1 18 . 1 1 82 82 TYR N N 82 121.997 121.997 123.860 -1.863 25411 9678 1 18 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.242 0.205 25411 9679 1 18 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.866 -4.981 25411 9680 1 18 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.960 -1.122 25411 9681 1 18 . 1 1 82 82 TYR H H 82 8.378 8.378 7.406 0.972 25411 9682 1 18 . 1 1 83 83 TRP N N 83 120.268 120.268 121.205 -0.937 25411 9683 1 18 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.353 -4.960 25411 9684 1 18 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.945 -1.051 25411 9685 1 18 . 1 1 83 83 TRP H H 83 8.546 8.546 9.450 -0.904 25411 9686 1 18 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.343 -0.123 25411 9687 1 18 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.353 0.276 25411 9688 1 18 . 1 1 84 84 ASN CB C 84 39.065 39.065 38.035 1.030 25411 9689 1 18 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.391 -0.345 25411 9690 1 18 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.231 0.910 25411 9691 1 18 . 1 1 85 85 LEU CB C 85 41.692 41.692 42.102 -0.410 25411 9692 1 18 . 1 1 86 86 ILE N N 86 117.000 117.000 119.761 -2.761 25411 9693 1 18 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.326 0.120 25411 9694 1 18 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.615 -2.332 25411 9695 1 18 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.640 -1.228 25411 9696 1 18 . 1 1 86 86 ILE H H 86 7.882 7.882 7.452 0.430 25411 9697 1 18 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.633 -0.407 25411 9698 1 18 . 1 1 87 87 LYS CA C 87 59.996 59.996 58.795 1.200 25411 9699 1 18 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.502 -0.452 25411 9700 1 18 . 1 1 88 88 GLU N N 88 116.404 116.404 118.149 -1.745 25411 9701 1 18 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.292 -0.445 25411 9702 1 18 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.266 0.645 25411 9703 1 18 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.262 -0.293 25411 9704 1 18 . 1 1 88 88 GLU H H 88 7.689 7.689 7.516 0.173 25411 9705 1 18 . 1 1 89 89 LEU N N 89 118.193 118.193 122.067 -3.874 25411 9706 1 18 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.053 -0.164 25411 9707 1 18 . 1 1 89 89 LEU CA C 89 57.963 57.963 57.211 0.752 25411 9708 1 18 . 1 1 89 89 LEU CB C 89 41.300 41.300 41.963 -0.663 25411 9709 1 18 . 1 1 89 89 LEU H H 89 7.415 7.415 7.795 -0.380 25411 9710 1 18 . 1 1 90 90 ILE N N 90 115.471 115.471 120.234 -4.763 25411 9711 1 18 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.583 -0.166 25411 9712 1 18 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.099 0.809 25411 9713 1 18 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.552 0.042 25411 9714 1 18 . 1 1 90 90 ILE H H 90 7.718 7.718 7.425 0.293 25411 9715 1 18 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.439 -0.719 25411 9716 1 18 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.958 0.706 25411 9717 1 18 . 1 1 91 91 ASP CB C 91 40.532 40.532 39.991 0.541 25411 9718 1 18 . 1 1 92 92 LYS N N 92 119.253 119.253 118.403 0.850 25411 9719 1 18 . 1 1 92 92 LYS CA C 92 58.897 58.897 55.208 3.689 25411 9720 1 18 . 1 1 92 92 LYS CB C 92 31.988 31.988 31.781 0.207 25411 9721 1 18 . 1 1 92 92 LYS H H 92 7.869 7.869 7.656 0.213 25411 9722 1 18 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.012 0.519 25411 9723 1 18 . 1 1 93 93 LYS CA C 93 55.258 55.258 59.023 -3.765 25411 9724 1 18 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.955 0.214 25411 9725 1 18 . 1 1 94 94 GLU N N 94 116.729 116.729 120.884 -4.155 25411 9726 1 18 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.053 0.080 25411 9727 1 18 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.173 0.146 25411 9728 1 18 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.344 -1.969 25411 9729 1 18 . 1 1 94 94 GLU H H 94 8.393 8.393 7.786 0.607 25411 9730 1 18 . 1 1 95 95 VAL N N 95 121.696 121.696 116.956 4.740 25411 9731 1 18 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.863 0.619 25411 9732 1 18 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.288 3.433 25411 9733 1 18 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.505 1.389 25411 9734 1 18 . 1 1 95 95 VAL H H 95 7.923 7.923 7.719 0.204 25411 9735 1 18 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.641 -0.283 25411 9736 1 18 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.452 0.155 25411 9737 1 18 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.830 -0.955 25411 9738 1 18 . 1 1 98 98 GLN N N 98 117.731 117.731 118.707 -0.976 25411 9739 1 18 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.115 -0.190 25411 9740 1 18 . 1 1 98 98 GLN CA C 98 58.608 58.608 57.950 0.659 25411 9741 1 18 . 1 1 98 98 GLN CB C 98 28.521 28.521 28.298 0.223 25411 9742 1 18 . 1 1 98 98 GLN H H 98 8.359 8.359 8.494 -0.135 25411 9743 1 18 . 1 1 99 99 VAL N N 99 121.326 121.326 118.296 3.030 25411 9744 1 18 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.716 -0.296 25411 9745 1 18 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.477 0.927 25411 9746 1 18 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.509 0.110 25411 9747 1 18 . 1 1 99 99 VAL H H 99 7.901 7.901 8.215 -0.314 25411 9748 1 18 . 1 1 100 100 MET N N 100 120.447 120.447 116.210 4.237 25411 9749 1 18 . 1 1 100 100 MET HA H 100 3.812 3.812 4.344 -0.532 25411 9750 1 18 . 1 1 100 100 MET CA C 100 59.297 59.297 58.020 1.277 25411 9751 1 18 . 1 1 100 100 MET CB C 100 32.099 32.099 33.111 -1.012 25411 9752 1 18 . 1 1 100 100 MET H H 100 7.509 7.509 7.474 0.035 25411 9753 1 18 . 1 1 101 101 ALA N N 101 119.458 119.458 122.025 -2.567 25411 9754 1 18 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.203 0.007 25411 9755 1 18 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.668 0.084 25411 9756 1 18 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.337 -0.816 25411 9757 1 18 . 1 1 101 101 ALA H H 101 7.889 7.889 7.627 0.262 25411 9758 1 18 . 1 1 102 102 ALA N N 102 119.627 119.627 121.113 -1.486 25411 9759 1 18 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.117 -0.124 25411 9760 1 18 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.516 0.372 25411 9761 1 18 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.330 -0.986 25411 9762 1 18 . 1 1 102 102 ALA H H 102 7.563 7.563 8.321 -0.758 25411 9763 1 18 . 1 1 103 103 VAL N N 103 122.690 122.690 117.991 4.699 25411 9764 1 18 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.990 0.083 25411 9765 1 18 . 1 1 103 103 VAL CA C 103 61.685 61.685 64.686 -3.001 25411 9766 1 18 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.946 1.276 25411 9767 1 18 . 1 1 103 103 VAL H H 103 8.828 8.828 7.720 1.108 25411 9768 1 18 . 1 1 104 104 ALA N N 104 128.041 128.041 118.849 9.192 25411 9769 1 18 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.262 0.007 25411 9770 1 18 . 1 1 104 104 ALA CA C 104 52.141 52.141 53.104 -0.963 25411 9771 1 18 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.104 0.836 25411 9772 1 18 . 1 1 104 104 ALA H H 104 8.367 8.367 7.631 0.736 25411 9773 1 18 . 1 1 105 105 GLN N N 105 120.265 120.265 118.031 2.234 25411 9774 1 18 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.710 0.221 25411 9775 1 18 . 1 1 105 105 GLN CB C 105 29.020 29.020 29.961 -0.941 25411 9776 1 18 . 1 1 105 105 GLN H H 105 8.356 8.356 7.711 0.645 25411 9777 1 18 . 1 1 106 106 THR HA H 106 4.320 4.320 4.128 0.192 25411 9778 1 18 . 1 1 106 106 THR CA C 106 61.346 61.346 64.135 -2.789 25411 9779 1 18 . 1 1 106 106 THR CB C 106 69.293 69.293 69.080 0.213 25411 9780 1 18 . 1 1 107 107 GLU N N 107 122.706 122.706 119.213 3.493 25411 9781 1 18 . 1 1 107 107 GLU HA H 107 4.182 4.182 3.930 0.252 25411 9782 1 18 . 1 1 107 107 GLU CA C 107 56.576 56.576 57.064 -0.488 25411 9783 1 18 . 1 1 107 107 GLU CB C 107 29.936 29.936 28.585 1.351 25411 9784 1 18 . 1 1 107 107 GLU H H 107 8.404 8.404 7.882 0.522 25411 9785 1 18 . 1 1 108 108 GLU N N 108 122.034 122.034 122.265 -0.231 25411 9786 1 18 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.282 -0.121 25411 9787 1 18 . 1 1 108 108 GLU CA C 108 56.649 56.649 56.653 -0.004 25411 9788 1 18 . 1 1 108 108 GLU CB C 108 29.676 29.676 30.549 -0.873 25411 9789 1 18 . 1 1 108 108 GLU H H 108 7.341 7.341 8.321 -0.980 25411 9790 1 18 . 1 1 109 109 ILE N N 109 122.151 122.151 119.149 3.002 25411 9791 1 18 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.029 0.018 25411 9792 1 18 . 1 1 109 109 ILE CA C 109 61.565 61.565 63.120 -1.555 25411 9793 1 18 . 1 1 109 109 ILE CB C 109 38.104 38.104 37.416 0.688 25411 9794 1 18 . 1 1 109 109 ILE H H 109 8.058 8.058 8.641 -0.583 25411 9795 1 18 . 1 1 110 110 LEU N N 110 122.427 122.427 122.446 -0.019 25411 9796 1 18 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.156 0.120 25411 9797 1 18 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.982 -1.831 25411 9798 1 18 . 1 1 110 110 LEU CB C 110 32.255 32.255 41.465 -9.210 25411 9799 1 18 . 1 1 110 110 LEU H H 110 8.194 8.194 7.919 0.275 25411 9800 1 18 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.155 0.092 25411 9801 1 18 . 1 1 111 111 LYS CA C 111 56.137 56.137 57.468 -1.331 25411 9802 1 18 . 1 1 111 111 LYS CB C 111 32.569 32.569 31.944 0.625 25411 9803 1 18 . 1 1 112 112 SER N N 112 116.453 116.453 113.448 3.005 25411 9804 1 18 . 1 1 112 112 SER HA H 112 4.175 4.175 4.196 -0.021 25411 9805 1 18 . 1 1 112 112 SER CA C 112 58.311 58.311 59.208 -0.897 25411 9806 1 18 . 1 1 112 112 SER CB C 112 63.441 63.441 62.291 1.150 25411 9807 1 18 . 1 1 112 112 SER H H 112 8.204 8.204 8.203 0.001 25411 9808 1 18 . 1 1 113 113 ASN N N 113 119.747 119.747 116.030 3.717 25411 9809 1 18 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.425 0.219 25411 9810 1 18 . 1 1 113 113 ASN CA C 113 53.645 53.645 54.531 -0.886 25411 9811 1 18 . 1 1 113 113 ASN CB C 113 38.646 38.646 38.123 0.523 25411 9812 1 18 . 1 1 113 113 ASN H H 113 7.944 7.944 8.587 -0.643 25411 9813 1 18 . 1 1 114 114 SER N N 114 115.433 115.433 111.522 3.911 25411 9814 1 18 . 1 1 114 114 SER HA H 114 4.336 4.336 4.445 -0.109 25411 9815 1 18 . 1 1 114 114 SER CA C 114 58.711 58.711 57.535 1.176 25411 9816 1 18 . 1 1 114 114 SER CB C 114 63.308 63.308 63.822 -0.514 25411 9817 1 18 . 1 1 114 114 SER H H 114 7.962 7.962 7.945 0.017 25411 9818 1 18 . 1 1 115 115 GLN N N 115 121.682 121.682 119.614 2.068 25411 9819 1 18 . 1 1 115 115 GLN HA H 115 4.274 4.274 3.906 0.368 25411 9820 1 18 . 1 1 115 115 GLN CA C 115 56.193 56.193 58.664 -2.471 25411 9821 1 18 . 1 1 115 115 GLN CB C 115 28.807 28.807 27.870 0.937 25411 9822 1 18 . 1 1 115 115 GLN H H 115 8.207 8.207 8.664 -0.457 25411 9823 1 18 . 1 1 116 116 THR N N 116 114.715 114.715 107.219 7.496 25411 9824 1 18 . 1 1 116 116 THR HA H 116 4.225 4.225 4.513 -0.288 25411 9825 1 18 . 1 1 116 116 THR CA C 116 62.109 62.109 59.083 3.026 25411 9826 1 18 . 1 1 116 116 THR CB C 116 69.336 69.336 71.416 -2.080 25411 9827 1 18 . 1 1 116 116 THR H H 116 8.062 8.062 7.535 0.527 25411 9828 1 18 . 1 1 117 117 ASP N N 117 122.602 122.602 121.057 1.545 25411 9829 1 18 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.366 0.202 25411 9830 1 18 . 1 1 117 117 ASP CA C 117 54.204 54.204 55.994 -1.790 25411 9831 1 18 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.054 0.611 25411 9832 1 18 . 1 1 117 117 ASP H H 117 8.065 8.065 8.637 -0.572 25411 9833 1 18 . 1 1 118 118 LEU N N 118 122.140 122.140 120.463 1.677 25411 9834 1 18 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.369 -0.214 25411 9835 1 18 . 1 1 118 118 LEU CA C 118 55.423 55.423 53.775 1.648 25411 9836 1 18 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.229 0.644 25411 9837 1 18 . 1 1 118 118 LEU H H 118 8.085 8.085 7.395 0.690 25411 9838 1 18 . 1 1 119 119 GLU N N 119 119.672 119.672 117.615 2.057 25411 9839 1 18 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.975 0.093 25411 9840 1 18 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.113 -0.548 25411 9841 1 18 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.345 2.227 25411 9842 1 18 . 1 1 119 119 GLU H H 119 8.143 8.143 7.702 0.441 25411 9843 1 18 . 1 1 120 120 HIS N N 120 118.301 118.301 117.724 0.577 25411 9844 1 18 . 1 1 120 120 HIS CA C 120 55.883 55.883 56.819 -0.936 25411 9845 1 18 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.072 0.198 25411 9846 1 18 . 1 1 120 120 HIS H H 120 8.107 8.107 8.280 -0.173 25411 9847 1 18 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.838 -0.830 25411 9848 1 18 . 1 1 121 121 HIS CA C 121 55.166 55.166 56.016 -0.850 25411 9849 1 18 . 1 1 121 121 HIS CB C 121 28.759 28.759 31.439 -2.680 25411 9850 1 18 . 1 1 122 122 HIS N N 122 122.407 122.407 118.039 4.368 25411 9851 1 18 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.671 -0.453 25411 9852 1 18 . 1 1 122 122 HIS CA C 122 56.081 56.081 53.585 2.496 25411 9853 1 18 . 1 1 122 122 HIS CB C 122 29.371 29.371 33.188 -3.817 25411 9854 1 18 . 1 1 122 122 HIS H H 122 8.489 8.489 7.586 0.903 25411 9855 1 18 . 1 1 123 123 HIS N N 123 122.868 122.868 116.715 6.153 25411 9856 1 18 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.215 0.172 25411 9857 1 18 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.902 -0.592 25411 9858 1 18 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.395 0.107 25411 9859 1 18 . 1 1 123 123 HIS H H 123 8.596 8.596 8.039 0.557 25411 9860 1 18 . 1 1 124 124 HIS N N 124 123.734 123.734 119.961 3.773 25411 9861 1 18 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.834 -0.277 25411 9862 1 18 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.115 1.270 25411 9863 1 18 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.612 0.746 25411 9864 1 18 . 1 1 124 124 HIS H H 124 8.255 8.255 8.178 0.077 25411 9865 1 19 . 1 1 3 3 GLN N N 3 122.360 122.360 120.607 1.753 25411 9866 1 19 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.407 -0.519 25411 9867 1 19 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.635 2.107 25411 9868 1 19 . 1 1 3 3 GLN CB C 3 28.383 28.383 29.275 -0.892 25411 9869 1 19 . 1 1 3 3 GLN H H 3 9.398 9.398 8.221 1.177 25411 9870 1 19 . 1 1 4 4 GLU N N 4 119.689 119.689 120.863 -1.174 25411 9871 1 19 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.152 0.522 25411 9872 1 19 . 1 1 4 4 GLU CA C 4 57.807 57.807 58.196 -0.389 25411 9873 1 19 . 1 1 4 4 GLU CB C 4 28.700 28.700 29.084 -0.384 25411 9874 1 19 . 1 1 4 4 GLU H H 4 7.464 7.464 8.841 -1.377 25411 9875 1 19 . 1 1 5 5 LEU N N 5 114.872 114.872 122.175 -7.303 25411 9876 1 19 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.129 -0.428 25411 9877 1 19 . 1 1 5 5 LEU CA C 5 57.738 57.738 57.745 -0.007 25411 9878 1 19 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.855 -1.040 25411 9879 1 19 . 1 1 5 5 LEU H H 5 8.206 8.206 8.233 -0.027 25411 9880 1 19 . 1 1 6 6 SER N N 6 109.762 109.762 113.060 -3.298 25411 9881 1 19 . 1 1 6 6 SER HA H 6 4.092 4.092 4.042 0.050 25411 9882 1 19 . 1 1 6 6 SER CA C 6 60.415 60.415 61.881 -1.466 25411 9883 1 19 . 1 1 6 6 SER CB C 6 63.391 63.391 62.501 0.890 25411 9884 1 19 . 1 1 6 6 SER H H 6 8.253 8.253 8.289 -0.036 25411 9885 1 19 . 1 1 7 7 GLN N N 7 117.498 117.498 122.453 -4.955 25411 9886 1 19 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.122 -0.167 25411 9887 1 19 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.619 -0.194 25411 9888 1 19 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.508 0.231 25411 9889 1 19 . 1 1 7 7 GLN H H 7 8.673 8.673 7.812 0.861 25411 9890 1 19 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.207 -0.410 25411 9891 1 19 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.660 -0.605 25411 9892 1 19 . 1 1 8 8 HIS CB C 8 29.109 29.109 29.534 -0.425 25411 9893 1 19 . 1 1 9 9 GLU N N 9 120.354 120.354 119.457 0.897 25411 9894 1 19 . 1 1 9 9 GLU HA H 9 3.959 3.959 3.421 0.538 25411 9895 1 19 . 1 1 9 9 GLU CA C 9 60.258 60.258 58.969 1.289 25411 9896 1 19 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.440 -0.213 25411 9897 1 19 . 1 1 9 9 GLU H H 9 7.690 7.690 8.152 -0.462 25411 9898 1 19 . 1 1 10 10 ARG N N 10 118.753 118.753 119.712 -0.959 25411 9899 1 19 . 1 1 10 10 ARG HA H 10 4.099 4.099 3.978 0.121 25411 9900 1 19 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.354 -1.133 25411 9901 1 19 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.181 -1.086 25411 9902 1 19 . 1 1 10 10 ARG H H 10 8.928 8.928 7.733 1.195 25411 9903 1 19 . 1 1 11 11 TYR N N 11 121.288 121.288 119.736 1.552 25411 9904 1 19 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.216 -0.027 25411 9905 1 19 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.371 -1.135 25411 9906 1 19 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.424 -0.563 25411 9907 1 19 . 1 1 11 11 TYR H H 11 7.562 7.562 8.834 -1.272 25411 9908 1 19 . 1 1 12 12 VAL N N 12 119.304 119.304 119.331 -0.027 25411 9909 1 19 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.565 -0.482 25411 9910 1 19 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.537 0.298 25411 9911 1 19 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.634 -0.535 25411 9912 1 19 . 1 1 12 12 VAL H H 12 8.075 8.075 7.885 0.190 25411 9913 1 19 . 1 1 13 13 GLU N N 13 119.685 119.685 120.227 -0.542 25411 9914 1 19 . 1 1 13 13 GLU HA H 13 4.155 4.155 3.990 0.165 25411 9915 1 19 . 1 1 13 13 GLU CA C 13 59.425 59.425 58.951 0.474 25411 9916 1 19 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.111 0.076 25411 9917 1 19 . 1 1 13 13 GLU H H 13 8.278 8.278 7.620 0.658 25411 9918 1 19 . 1 1 14 14 GLN N N 14 119.682 119.682 120.012 -0.330 25411 9919 1 19 . 1 1 14 14 GLN HA H 14 3.656 3.656 3.929 -0.273 25411 9920 1 19 . 1 1 14 14 GLN CA C 14 59.969 59.969 59.098 0.871 25411 9921 1 19 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.570 1.103 25411 9922 1 19 . 1 1 14 14 GLN H H 14 7.653 7.653 8.248 -0.595 25411 9923 1 19 . 1 1 15 15 LEU N N 15 121.000 121.000 119.591 1.409 25411 9924 1 19 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.045 -0.124 25411 9925 1 19 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.449 1.006 25411 9926 1 19 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.222 -0.463 25411 9927 1 19 . 1 1 15 15 LEU H H 15 8.402 8.402 8.540 -0.138 25411 9928 1 19 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.865 -0.169 25411 9929 1 19 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.248 0.010 25411 9930 1 19 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.228 -0.093 25411 9931 1 19 . 1 1 17 17 GLN N N 17 117.558 117.558 118.744 -1.186 25411 9932 1 19 . 1 1 17 17 GLN HA H 17 3.887 3.887 3.956 -0.069 25411 9933 1 19 . 1 1 17 17 GLN CA C 17 58.442 58.442 59.001 -0.559 25411 9934 1 19 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.644 -0.599 25411 9935 1 19 . 1 1 17 17 GLN H H 17 7.849 7.849 8.328 -0.479 25411 9936 1 19 . 1 1 18 18 ALA N N 18 120.288 120.288 123.083 -2.795 25411 9937 1 19 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.112 -0.324 25411 9938 1 19 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.926 -0.033 25411 9939 1 19 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.592 -1.196 25411 9940 1 19 . 1 1 18 18 ALA H H 18 8.504 8.504 8.323 0.181 25411 9941 1 19 . 1 1 19 19 LEU N N 19 116.974 116.974 118.000 -1.026 25411 9942 1 19 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.010 -0.251 25411 9943 1 19 . 1 1 19 19 LEU CA C 19 57.552 57.552 57.125 0.427 25411 9944 1 19 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.662 -0.969 25411 9945 1 19 . 1 1 19 19 LEU H H 19 8.143 8.143 8.447 -0.304 25411 9946 1 19 . 1 1 20 20 LYS N N 20 117.776 117.776 120.749 -2.973 25411 9947 1 19 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.016 -0.061 25411 9948 1 19 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.725 -0.181 25411 9949 1 19 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.422 -1.935 25411 9950 1 19 . 1 1 20 20 LYS H H 20 8.340 8.340 8.254 0.086 25411 9951 1 19 . 1 1 21 21 THR N N 21 116.373 116.373 111.168 5.205 25411 9952 1 19 . 1 1 21 21 THR HA H 21 4.107 4.107 4.224 -0.117 25411 9953 1 19 . 1 1 21 21 THR CA C 21 64.611 64.611 64.442 0.169 25411 9954 1 19 . 1 1 21 21 THR CB C 21 68.811 68.811 68.444 0.367 25411 9955 1 19 . 1 1 21 21 THR H H 21 7.302 7.302 7.921 -0.619 25411 9956 1 19 . 1 1 22 22 ARG N N 22 118.647 118.647 119.940 -1.293 25411 9957 1 19 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.479 -0.117 25411 9958 1 19 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.582 -1.517 25411 9959 1 19 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.093 -1.565 25411 9960 1 19 . 1 1 22 22 ARG H H 22 7.290 7.290 7.505 -0.215 25411 9961 1 19 . 1 1 23 23 GLY N N 23 108.637 108.637 107.422 1.215 25411 9962 1 19 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.764 0.347 25411 9963 1 19 . 1 1 23 23 GLY H H 23 7.881 7.881 7.574 0.307 25411 9964 1 19 . 1 1 24 24 VAL N N 24 117.390 117.390 119.851 -2.461 25411 9965 1 19 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.914 0.100 25411 9966 1 19 . 1 1 24 24 VAL CA C 24 61.668 61.668 63.659 -1.991 25411 9967 1 19 . 1 1 24 24 VAL CB C 24 32.372 32.372 31.138 1.234 25411 9968 1 19 . 1 1 24 24 VAL H H 24 7.333 7.333 7.739 -0.406 25411 9969 1 19 . 1 1 25 25 LYS N N 25 127.322 127.322 115.491 11.831 25411 9970 1 19 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.855 0.477 25411 9971 1 19 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.414 -1.652 25411 9972 1 19 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.593 0.168 25411 9973 1 19 . 1 1 25 25 LYS H H 25 8.722 8.722 7.752 0.970 25411 9974 1 19 . 1 1 26 26 VAL N N 26 120.568 120.568 120.291 0.277 25411 9975 1 19 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.254 -0.176 25411 9976 1 19 . 1 1 26 26 VAL CA C 26 60.665 60.665 60.810 -0.145 25411 9977 1 19 . 1 1 26 26 VAL CB C 26 33.647 33.647 32.699 0.948 25411 9978 1 19 . 1 1 26 26 VAL H H 26 7.119 7.119 8.273 -1.154 25411 9979 1 19 . 1 1 27 27 LYS N N 27 125.675 125.675 124.233 1.442 25411 9980 1 19 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.366 -0.040 25411 9981 1 19 . 1 1 27 27 LYS CA C 27 55.411 55.411 54.522 0.889 25411 9982 1 19 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.939 -2.980 25411 9983 1 19 . 1 1 27 27 LYS H H 27 8.570 8.570 8.007 0.563 25411 9984 1 19 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.548 -0.531 25411 9985 1 19 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.759 -2.347 25411 9986 1 19 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.766 2.074 25411 9987 1 19 . 1 1 29 29 ALA N N 29 120.743 120.743 128.818 -8.075 25411 9988 1 19 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.236 -0.568 25411 9989 1 19 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.133 -0.455 25411 9990 1 19 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.240 -1.240 25411 9991 1 19 . 1 1 29 29 ALA H H 29 8.323 8.323 8.765 -0.442 25411 9992 1 19 . 1 1 30 30 ASP N N 30 117.202 117.202 117.613 -0.411 25411 9993 1 19 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.330 -0.049 25411 9994 1 19 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.131 0.422 25411 9995 1 19 . 1 1 30 30 ASP CB C 30 39.807 39.807 40.067 -0.260 25411 9996 1 19 . 1 1 30 30 ASP H H 30 6.872 6.872 8.515 -1.643 25411 9997 1 19 . 1 1 31 31 LEU N N 31 122.273 122.273 119.383 2.890 25411 9998 1 19 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.466 -0.920 25411 9999 1 19 . 1 1 31 31 LEU CA C 31 56.725 56.725 57.194 -0.469 25411 10000 1 19 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.281 -1.623 25411 10001 1 19 . 1 1 31 31 LEU H H 31 7.433 7.433 7.678 -0.245 25411 10002 1 19 . 1 1 32 32 LEU N N 32 123.376 123.376 120.177 3.199 25411 10003 1 19 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.219 -0.604 25411 10004 1 19 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.151 -0.056 25411 10005 1 19 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.765 -1.223 25411 10006 1 19 . 1 1 32 32 LEU H H 32 8.727 8.727 7.717 1.010 25411 10007 1 19 . 1 1 33 33 LYS N N 33 118.078 118.078 119.868 -1.790 25411 10008 1 19 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.342 -0.129 25411 10009 1 19 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.314 -0.216 25411 10010 1 19 . 1 1 33 33 LYS CB C 33 31.890 31.890 31.855 0.035 25411 10011 1 19 . 1 1 33 33 LYS H H 33 7.149 7.149 7.420 -0.271 25411 10012 1 19 . 1 1 34 34 PHE N N 34 117.398 117.398 121.458 -4.060 25411 10013 1 19 . 1 1 34 34 PHE CA C 34 56.695 56.695 60.482 -3.787 25411 10014 1 19 . 1 1 34 34 PHE CB C 34 41.219 41.219 38.843 2.376 25411 10015 1 19 . 1 1 34 34 PHE H H 34 7.633 7.633 8.547 -0.914 25411 10016 1 19 . 1 1 35 35 PHE HA H 35 3.793 3.793 3.825 -0.032 25411 10017 1 19 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.860 -0.268 25411 10018 1 19 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.172 -2.158 25411 10019 1 19 . 1 1 36 36 ASP N N 36 120.136 120.136 119.925 0.211 25411 10020 1 19 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.343 -0.247 25411 10021 1 19 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.657 -0.716 25411 10022 1 19 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.511 -1.407 25411 10023 1 19 . 1 1 36 36 ASP H H 36 8.330 8.330 8.648 -0.318 25411 10024 1 19 . 1 1 37 37 PHE N N 37 121.883 121.883 120.673 1.210 25411 10025 1 19 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.275 -0.017 25411 10026 1 19 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.080 -1.382 25411 10027 1 19 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.133 1.052 25411 10028 1 19 . 1 1 37 37 PHE H H 37 7.794 7.794 8.424 -0.630 25411 10029 1 19 . 1 1 38 38 VAL N N 38 118.525 118.525 119.086 -0.561 25411 10030 1 19 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.272 -0.233 25411 10031 1 19 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.249 0.633 25411 10032 1 19 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.031 -0.343 25411 10033 1 19 . 1 1 38 38 VAL H H 38 8.262 8.262 8.052 0.210 25411 10034 1 19 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.710 -0.254 25411 10035 1 19 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.139 -0.085 25411 10036 1 19 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.726 -0.030 25411 10037 1 19 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.401 0.044 25411 10038 1 19 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.493 0.492 25411 10039 1 19 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.544 -0.852 25411 10040 1 19 . 1 1 41 41 ILE N N 41 120.641 120.641 112.650 7.991 25411 10041 1 19 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.130 -0.105 25411 10042 1 19 . 1 1 41 41 ILE CA C 41 61.652 61.652 62.809 -1.157 25411 10043 1 19 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.488 -0.424 25411 10044 1 19 . 1 1 41 41 ILE H H 41 8.788 8.788 7.515 1.273 25411 10045 1 19 . 1 1 42 42 CYS N N 42 117.896 117.896 118.295 -0.399 25411 10046 1 19 . 1 1 42 42 CYS CA C 42 56.172 56.172 56.168 0.004 25411 10047 1 19 . 1 1 42 42 CYS CB C 42 28.324 28.324 27.337 0.987 25411 10048 1 19 . 1 1 42 42 CYS H H 42 7.180 7.180 7.392 -0.212 25411 10049 1 19 . 1 1 43 43 PRO HA H 43 4.315 4.315 3.883 0.432 25411 10050 1 19 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.537 0.466 25411 10051 1 19 . 1 1 43 43 PRO CB C 43 30.715 30.715 30.962 -0.247 25411 10052 1 19 . 1 1 44 44 TRP N N 44 113.823 113.823 117.657 -3.834 25411 10053 1 19 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.664 -0.359 25411 10054 1 19 . 1 1 44 44 TRP CA C 44 55.398 55.398 56.935 -1.537 25411 10055 1 19 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.897 -2.086 25411 10056 1 19 . 1 1 44 44 TRP H H 44 6.591 6.591 7.671 -1.080 25411 10057 1 19 . 1 1 45 45 PHE N N 45 123.100 123.100 113.940 9.160 25411 10058 1 19 . 1 1 45 45 PHE HA H 45 4.001 4.001 4.981 -0.980 25411 10059 1 19 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.260 8.549 25411 10060 1 19 . 1 1 45 45 PHE CB C 45 34.935 34.935 37.529 -2.595 25411 10061 1 19 . 1 1 45 45 PHE H H 45 7.239 7.239 7.831 -0.592 25411 10062 1 19 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.087 -0.075 25411 10063 1 19 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.032 0.499 25411 10064 1 19 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.883 -1.396 25411 10065 1 19 . 1 1 47 47 GLN N N 47 114.502 114.502 119.610 -5.108 25411 10066 1 19 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.030 -0.093 25411 10067 1 19 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.413 -0.009 25411 10068 1 19 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.190 1.130 25411 10069 1 19 . 1 1 47 47 GLN H H 47 6.518 6.518 8.463 -1.945 25411 10070 1 19 . 1 1 48 48 GLU N N 48 117.358 117.358 117.790 -0.432 25411 10071 1 19 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.117 -0.079 25411 10072 1 19 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.571 1.601 25411 10073 1 19 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.011 -1.057 25411 10074 1 19 . 1 1 48 48 GLU H H 48 7.318 7.318 7.803 -0.485 25411 10075 1 19 . 1 1 49 49 GLY N N 49 105.534 105.534 108.116 -2.582 25411 10076 1 19 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.796 1.507 25411 10077 1 19 . 1 1 49 49 GLY H H 49 7.296 7.296 7.502 -0.206 25411 10078 1 19 . 1 1 50 50 THR N N 50 114.069 114.069 113.689 0.380 25411 10079 1 19 . 1 1 50 50 THR HA H 50 4.234 4.234 4.434 -0.200 25411 10080 1 19 . 1 1 50 50 THR CA C 50 61.683 61.683 61.045 0.638 25411 10081 1 19 . 1 1 50 50 THR CB C 50 70.718 70.718 70.192 0.526 25411 10082 1 19 . 1 1 50 50 THR H H 50 7.597 7.597 7.662 -0.065 25411 10083 1 19 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.039 0.086 25411 10084 1 19 . 1 1 51 51 ILE CA C 51 59.870 59.870 62.481 -2.611 25411 10085 1 19 . 1 1 51 51 ILE CB C 51 35.288 35.288 38.895 -3.607 25411 10086 1 19 . 1 1 52 52 ASP N N 52 121.791 121.791 123.568 -1.777 25411 10087 1 19 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.730 -0.107 25411 10088 1 19 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.905 -1.173 25411 10089 1 19 . 1 1 52 52 ASP CB C 52 42.461 42.461 43.659 -1.198 25411 10090 1 19 . 1 1 52 52 ASP H H 52 7.168 7.168 8.027 -0.859 25411 10091 1 19 . 1 1 53 53 ILE N N 53 119.537 119.537 118.232 1.305 25411 10092 1 19 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.417 -0.282 25411 10093 1 19 . 1 1 53 53 ILE CA C 53 61.796 61.796 61.551 0.245 25411 10094 1 19 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.913 -2.098 25411 10095 1 19 . 1 1 53 53 ILE H H 53 8.336 8.336 8.492 -0.156 25411 10096 1 19 . 1 1 54 54 LYS N N 54 123.592 123.592 121.680 1.912 25411 10097 1 19 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.240 -0.135 25411 10098 1 19 . 1 1 54 54 LYS CA C 54 59.972 59.972 59.894 0.078 25411 10099 1 19 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.312 -0.564 25411 10100 1 19 . 1 1 54 54 LYS H H 54 8.104 8.104 8.194 -0.090 25411 10101 1 19 . 1 1 55 55 ARG N N 55 120.511 120.511 119.738 0.773 25411 10102 1 19 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.106 0.195 25411 10103 1 19 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.327 0.576 25411 10104 1 19 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.437 -0.381 25411 10105 1 19 . 1 1 55 55 ARG H H 55 9.196 9.196 8.995 0.201 25411 10106 1 19 . 1 1 56 56 TRP N N 56 120.681 120.681 121.874 -1.193 25411 10107 1 19 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.282 0.421 25411 10108 1 19 . 1 1 56 56 TRP CA C 56 59.406 59.406 61.080 -1.674 25411 10109 1 19 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.199 0.815 25411 10110 1 19 . 1 1 56 56 TRP H H 56 8.899 8.899 8.970 -0.071 25411 10111 1 19 . 1 1 57 57 ARG N N 57 122.115 122.115 118.649 3.466 25411 10112 1 19 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.658 0.749 25411 10113 1 19 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.263 0.764 25411 10114 1 19 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.946 -0.160 25411 10115 1 19 . 1 1 57 57 ARG H H 57 9.210 9.210 8.167 1.043 25411 10116 1 19 . 1 1 58 58 ARG N N 58 120.918 120.918 118.843 2.075 25411 10117 1 19 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.725 0.120 25411 10118 1 19 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.215 -0.486 25411 10119 1 19 . 1 1 58 58 ARG H H 58 7.640 7.640 7.690 -0.050 25411 10120 1 19 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.877 -0.113 25411 10121 1 19 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.175 0.825 25411 10122 1 19 . 1 1 59 59 VAL CB C 59 30.832 30.832 30.986 -0.154 25411 10123 1 19 . 1 1 59 59 VAL H H 59 7.916 7.916 7.712 0.204 25411 10124 1 19 . 1 1 60 60 GLY N N 60 106.856 106.856 107.643 -0.787 25411 10125 1 19 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.162 -1.081 25411 10126 1 19 . 1 1 60 60 GLY H H 60 7.623 7.623 8.237 -0.614 25411 10127 1 19 . 1 1 61 61 ASP N N 61 123.308 123.308 122.308 1.000 25411 10128 1 19 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.518 -0.293 25411 10129 1 19 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.911 -0.111 25411 10130 1 19 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.669 -1.185 25411 10131 1 19 . 1 1 61 61 ASP H H 61 8.203 8.203 7.874 0.329 25411 10132 1 19 . 1 1 62 62 CYS N N 62 120.841 120.841 118.561 2.280 25411 10133 1 19 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.117 0.121 25411 10134 1 19 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.236 -1.286 25411 10135 1 19 . 1 1 62 62 CYS CB C 62 26.503 26.503 27.029 -0.526 25411 10136 1 19 . 1 1 62 62 CYS H H 62 7.795 7.795 7.601 0.194 25411 10137 1 19 . 1 1 63 63 PHE N N 63 119.763 119.763 120.673 -0.910 25411 10138 1 19 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.270 0.008 25411 10139 1 19 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.756 -3.099 25411 10140 1 19 . 1 1 63 63 PHE CB C 63 36.990 36.990 39.377 -2.387 25411 10141 1 19 . 1 1 63 63 PHE H H 63 8.647 8.647 8.056 0.591 25411 10142 1 19 . 1 1 64 64 GLN N N 64 118.578 118.578 119.222 -0.644 25411 10143 1 19 . 1 1 64 64 GLN HA H 64 4.308 4.308 3.999 0.309 25411 10144 1 19 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.875 0.458 25411 10145 1 19 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.392 0.187 25411 10146 1 19 . 1 1 64 64 GLN H H 64 8.261 8.261 8.514 -0.253 25411 10147 1 19 . 1 1 65 65 ASP N N 65 119.534 119.534 121.683 -2.149 25411 10148 1 19 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.371 0.113 25411 10149 1 19 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.016 0.313 25411 10150 1 19 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.964 -1.293 25411 10151 1 19 . 1 1 65 65 ASP H H 65 8.338 8.338 8.378 -0.040 25411 10152 1 19 . 1 1 66 66 TYR N N 66 123.600 123.600 122.134 1.466 25411 10153 1 19 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.991 0.511 25411 10154 1 19 . 1 1 66 66 TYR CA C 66 61.231 61.231 61.792 -0.562 25411 10155 1 19 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.173 0.260 25411 10156 1 19 . 1 1 66 66 TYR H H 66 7.804 7.804 8.292 -0.488 25411 10157 1 19 . 1 1 67 67 TYR N N 67 122.825 122.825 118.085 4.740 25411 10158 1 19 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.492 0.505 25411 10159 1 19 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.406 0.497 25411 10160 1 19 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.236 0.710 25411 10161 1 19 . 1 1 67 67 TYR H H 67 9.100 9.100 8.110 0.990 25411 10162 1 19 . 1 1 68 68 ASN N N 68 118.826 118.826 117.383 1.443 25411 10163 1 19 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.363 -0.080 25411 10164 1 19 . 1 1 68 68 ASN CA C 68 55.432 55.432 56.018 -0.586 25411 10165 1 19 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.497 -0.621 25411 10166 1 19 . 1 1 68 68 ASN H H 68 8.853 8.853 8.462 0.391 25411 10167 1 19 . 1 1 69 69 THR N N 69 114.242 114.242 115.420 -1.178 25411 10168 1 19 . 1 1 69 69 THR HA H 69 3.837 3.837 4.101 -0.264 25411 10169 1 19 . 1 1 69 69 THR CA C 69 65.328 65.328 65.201 0.127 25411 10170 1 19 . 1 1 69 69 THR CB C 69 69.249 69.249 68.716 0.533 25411 10171 1 19 . 1 1 69 69 THR H H 69 7.847 7.847 8.142 -0.295 25411 10172 1 19 . 1 1 70 70 PHE N N 70 117.970 117.970 120.300 -2.330 25411 10173 1 19 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.220 0.344 25411 10174 1 19 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.514 -0.272 25411 10175 1 19 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.900 2.174 25411 10176 1 19 . 1 1 70 70 PHE H H 70 8.489 8.489 7.305 1.184 25411 10177 1 19 . 1 1 71 71 GLY N N 71 109.516 109.516 108.547 0.969 25411 10178 1 19 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.861 0.171 25411 10179 1 19 . 1 1 71 71 GLY H H 71 7.968 7.968 7.403 0.565 25411 10180 1 19 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.431 0.280 25411 10181 1 19 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.045 1.252 25411 10182 1 19 . 1 1 72 72 PRO CB C 72 31.744 31.744 30.898 0.846 25411 10183 1 19 . 1 1 73 73 GLU N N 73 117.720 117.720 126.332 -8.612 25411 10184 1 19 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.046 -0.147 25411 10185 1 19 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.594 0.142 25411 10186 1 19 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.570 -0.706 25411 10187 1 19 . 1 1 73 73 GLU H H 73 8.586 8.586 8.327 0.259 25411 10188 1 19 . 1 1 74 74 LYS N N 74 116.974 116.974 119.024 -2.050 25411 10189 1 19 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.394 -0.005 25411 10190 1 19 . 1 1 74 74 LYS CA C 74 55.185 55.185 54.714 0.471 25411 10191 1 19 . 1 1 74 74 LYS CB C 74 34.087 34.087 31.078 3.009 25411 10192 1 19 . 1 1 74 74 LYS H H 74 7.505 7.505 8.210 -0.705 25411 10193 1 19 . 1 1 75 75 VAL N N 75 117.309 117.309 124.346 -7.037 25411 10194 1 19 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.107 0.206 25411 10195 1 19 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.242 1.803 25411 10196 1 19 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.106 -0.122 25411 10197 1 19 . 1 1 75 75 VAL H H 75 7.402 7.402 7.386 0.016 25411 10198 1 19 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.566 -0.004 25411 10199 1 19 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.815 -1.128 25411 10200 1 19 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.738 -1.007 25411 10201 1 19 . 1 1 77 77 VAL N N 77 120.870 120.870 121.074 -0.204 25411 10202 1 19 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.145 -0.317 25411 10203 1 19 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.161 1.677 25411 10204 1 19 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.023 -0.636 25411 10205 1 19 . 1 1 77 77 VAL H H 77 8.473 8.473 8.838 -0.365 25411 10206 1 19 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.861 -0.009 25411 10207 1 19 . 1 1 78 78 ILE CA C 78 61.125 61.125 63.650 -2.525 25411 10208 1 19 . 1 1 78 78 ILE CB C 78 37.135 37.135 37.013 0.122 25411 10209 1 19 . 1 1 78 78 ILE H H 78 8.388 8.388 7.874 0.514 25411 10210 1 19 . 1 1 79 79 ALA N N 79 123.960 123.960 122.623 1.337 25411 10211 1 19 . 1 1 79 79 ALA HA H 79 3.890 3.890 3.969 -0.079 25411 10212 1 19 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.666 0.223 25411 10213 1 19 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.423 -0.800 25411 10214 1 19 . 1 1 79 79 ALA H H 79 7.953 7.953 7.927 0.026 25411 10215 1 19 . 1 1 80 80 PHE N N 80 114.330 114.330 114.118 0.212 25411 10216 1 19 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.585 -0.154 25411 10217 1 19 . 1 1 80 80 PHE CA C 80 61.312 61.312 60.028 1.284 25411 10218 1 19 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.169 -1.513 25411 10219 1 19 . 1 1 80 80 PHE H H 80 7.499 7.499 8.188 -0.689 25411 10220 1 19 . 1 1 81 81 SER N N 81 115.971 115.971 114.041 1.930 25411 10221 1 19 . 1 1 81 81 SER HA H 81 4.206 4.206 4.456 -0.250 25411 10222 1 19 . 1 1 81 81 SER CA C 81 58.432 58.432 59.159 -0.727 25411 10223 1 19 . 1 1 81 81 SER CB C 81 63.575 63.575 63.572 0.003 25411 10224 1 19 . 1 1 81 81 SER H H 81 8.225 8.225 7.579 0.646 25411 10225 1 19 . 1 1 82 82 TYR N N 82 121.997 121.997 123.320 -1.323 25411 10226 1 19 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.336 0.111 25411 10227 1 19 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.310 -4.425 25411 10228 1 19 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.931 -1.093 25411 10229 1 19 . 1 1 82 82 TYR H H 82 8.378 8.378 7.578 0.800 25411 10230 1 19 . 1 1 83 83 TRP N N 83 120.268 120.268 121.429 -1.161 25411 10231 1 19 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.301 -4.908 25411 10232 1 19 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.911 -1.017 25411 10233 1 19 . 1 1 83 83 TRP H H 83 8.546 8.546 9.282 -0.736 25411 10234 1 19 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.376 -0.156 25411 10235 1 19 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.377 0.252 25411 10236 1 19 . 1 1 84 84 ASN CB C 84 39.065 39.065 38.034 1.031 25411 10237 1 19 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.279 -0.233 25411 10238 1 19 . 1 1 85 85 LEU CA C 85 58.142 58.142 56.792 1.350 25411 10239 1 19 . 1 1 85 85 LEU CB C 85 41.692 41.692 42.102 -0.410 25411 10240 1 19 . 1 1 86 86 ILE N N 86 117.000 117.000 120.187 -3.187 25411 10241 1 19 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.354 0.092 25411 10242 1 19 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.674 -2.391 25411 10243 1 19 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.951 -1.539 25411 10244 1 19 . 1 1 86 86 ILE H H 86 7.882 7.882 7.535 0.347 25411 10245 1 19 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.701 -0.475 25411 10246 1 19 . 1 1 87 87 LYS CA C 87 59.996 59.996 58.872 1.124 25411 10247 1 19 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.469 -0.419 25411 10248 1 19 . 1 1 88 88 GLU N N 88 116.404 116.404 117.651 -1.247 25411 10249 1 19 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.345 -0.498 25411 10250 1 19 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.265 0.646 25411 10251 1 19 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.070 -0.101 25411 10252 1 19 . 1 1 88 88 GLU H H 88 7.689 7.689 7.636 0.053 25411 10253 1 19 . 1 1 89 89 LEU N N 89 118.193 118.193 121.602 -3.409 25411 10254 1 19 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.138 -0.249 25411 10255 1 19 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.834 1.129 25411 10256 1 19 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.115 -0.816 25411 10257 1 19 . 1 1 89 89 LEU H H 89 7.415 7.415 7.545 -0.130 25411 10258 1 19 . 1 1 90 90 ILE N N 90 115.471 115.471 120.101 -4.630 25411 10259 1 19 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.690 -0.272 25411 10260 1 19 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.056 0.852 25411 10261 1 19 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.607 -0.013 25411 10262 1 19 . 1 1 90 90 ILE H H 90 7.718 7.718 7.467 0.251 25411 10263 1 19 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.531 -0.811 25411 10264 1 19 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.951 0.713 25411 10265 1 19 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.198 0.334 25411 10266 1 19 . 1 1 92 92 LYS N N 92 119.253 119.253 118.979 0.274 25411 10267 1 19 . 1 1 92 92 LYS CA C 92 58.897 58.897 57.000 1.897 25411 10268 1 19 . 1 1 92 92 LYS CB C 92 31.988 31.988 31.946 0.042 25411 10269 1 19 . 1 1 92 92 LYS H H 92 7.869 7.869 7.567 0.302 25411 10270 1 19 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.055 0.476 25411 10271 1 19 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.583 -3.325 25411 10272 1 19 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.034 0.135 25411 10273 1 19 . 1 1 94 94 GLU N N 94 116.729 116.729 120.867 -4.138 25411 10274 1 19 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.093 0.040 25411 10275 1 19 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.096 0.223 25411 10276 1 19 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.304 -1.929 25411 10277 1 19 . 1 1 94 94 GLU H H 94 8.393 8.393 7.814 0.579 25411 10278 1 19 . 1 1 95 95 VAL N N 95 121.696 121.696 117.455 4.241 25411 10279 1 19 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.858 0.624 25411 10280 1 19 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.521 3.200 25411 10281 1 19 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.512 1.382 25411 10282 1 19 . 1 1 95 95 VAL H H 95 7.923 7.923 7.669 0.254 25411 10283 1 19 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.767 -0.409 25411 10284 1 19 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.279 0.328 25411 10285 1 19 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.946 -1.072 25411 10286 1 19 . 1 1 98 98 GLN N N 98 117.731 117.731 118.883 -1.152 25411 10287 1 19 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.085 -0.160 25411 10288 1 19 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.255 0.353 25411 10289 1 19 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.975 0.546 25411 10290 1 19 . 1 1 98 98 GLN H H 98 8.359 8.359 8.359 -0.000 25411 10291 1 19 . 1 1 99 99 VAL N N 99 121.326 121.326 118.136 3.190 25411 10292 1 19 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.781 -0.361 25411 10293 1 19 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.458 0.946 25411 10294 1 19 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.494 0.125 25411 10295 1 19 . 1 1 99 99 VAL H H 99 7.901 7.901 8.247 -0.346 25411 10296 1 19 . 1 1 100 100 MET N N 100 120.447 120.447 116.447 4.000 25411 10297 1 19 . 1 1 100 100 MET HA H 100 3.812 3.812 4.369 -0.557 25411 10298 1 19 . 1 1 100 100 MET CA C 100 59.297 59.297 58.017 1.280 25411 10299 1 19 . 1 1 100 100 MET CB C 100 32.099 32.099 33.189 -1.090 25411 10300 1 19 . 1 1 100 100 MET H H 100 7.509 7.509 7.494 0.015 25411 10301 1 19 . 1 1 101 101 ALA N N 101 119.458 119.458 121.565 -2.107 25411 10302 1 19 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.244 -0.034 25411 10303 1 19 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.359 0.393 25411 10304 1 19 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.463 -0.942 25411 10305 1 19 . 1 1 101 101 ALA H H 101 7.889 7.889 7.619 0.270 25411 10306 1 19 . 1 1 102 102 ALA N N 102 119.627 119.627 121.078 -1.451 25411 10307 1 19 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.114 -0.121 25411 10308 1 19 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.502 0.386 25411 10309 1 19 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.400 -1.056 25411 10310 1 19 . 1 1 102 102 ALA H H 102 7.563 7.563 8.321 -0.758 25411 10311 1 19 . 1 1 103 103 VAL N N 103 122.690 122.690 118.068 4.622 25411 10312 1 19 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.852 0.221 25411 10313 1 19 . 1 1 103 103 VAL CA C 103 61.685 61.685 66.073 -4.388 25411 10314 1 19 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.092 2.130 25411 10315 1 19 . 1 1 103 103 VAL H H 103 8.828 8.828 7.990 0.838 25411 10316 1 19 . 1 1 104 104 ALA N N 104 128.041 128.041 118.703 9.338 25411 10317 1 19 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.187 0.082 25411 10318 1 19 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.370 -2.229 25411 10319 1 19 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.382 0.558 25411 10320 1 19 . 1 1 104 104 ALA H H 104 8.367 8.367 7.558 0.809 25411 10321 1 19 . 1 1 105 105 GLN N N 105 120.265 120.265 116.193 4.072 25411 10322 1 19 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.251 -0.320 25411 10323 1 19 . 1 1 105 105 GLN CB C 105 29.020 29.020 30.350 -1.330 25411 10324 1 19 . 1 1 105 105 GLN H H 105 8.356 8.356 7.963 0.393 25411 10325 1 19 . 1 1 106 106 THR HA H 106 4.320 4.320 4.322 -0.002 25411 10326 1 19 . 1 1 106 106 THR CA C 106 61.346 61.346 63.968 -2.622 25411 10327 1 19 . 1 1 106 106 THR CB C 106 69.293 69.293 69.001 0.292 25411 10328 1 19 . 1 1 107 107 GLU N N 107 122.706 122.706 120.116 2.590 25411 10329 1 19 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.349 -0.167 25411 10330 1 19 . 1 1 107 107 GLU CA C 107 56.576 56.576 56.941 -0.365 25411 10331 1 19 . 1 1 107 107 GLU CB C 107 29.936 29.936 31.085 -1.149 25411 10332 1 19 . 1 1 107 107 GLU H H 107 8.404 8.404 7.609 0.795 25411 10333 1 19 . 1 1 108 108 GLU N N 108 122.034 122.034 115.272 6.762 25411 10334 1 19 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.033 0.128 25411 10335 1 19 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.211 -0.562 25411 10336 1 19 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.630 0.046 25411 10337 1 19 . 1 1 108 108 GLU H H 108 7.341 7.341 7.812 -0.471 25411 10338 1 19 . 1 1 109 109 ILE N N 109 122.151 122.151 114.788 7.363 25411 10339 1 19 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.260 -0.213 25411 10340 1 19 . 1 1 109 109 ILE CA C 109 61.565 61.565 63.320 -1.755 25411 10341 1 19 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.263 -0.159 25411 10342 1 19 . 1 1 109 109 ILE H H 109 8.058 8.058 8.761 -0.703 25411 10343 1 19 . 1 1 110 110 LEU N N 110 122.427 122.427 121.488 0.939 25411 10344 1 19 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.094 0.182 25411 10345 1 19 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.615 -1.464 25411 10346 1 19 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.689 -8.434 25411 10347 1 19 . 1 1 110 110 LEU H H 110 8.194 8.194 8.092 0.102 25411 10348 1 19 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.105 0.142 25411 10349 1 19 . 1 1 111 111 LYS CA C 111 56.137 56.137 58.579 -2.442 25411 10350 1 19 . 1 1 111 111 LYS CB C 111 32.569 32.569 31.900 0.669 25411 10351 1 19 . 1 1 112 112 SER N N 112 116.453 116.453 110.637 5.816 25411 10352 1 19 . 1 1 112 112 SER HA H 112 4.175 4.175 4.034 0.141 25411 10353 1 19 . 1 1 112 112 SER CA C 112 58.311 58.311 60.475 -2.164 25411 10354 1 19 . 1 1 112 112 SER CB C 112 63.441 63.441 62.500 0.941 25411 10355 1 19 . 1 1 112 112 SER H H 112 8.204 8.204 8.290 -0.086 25411 10356 1 19 . 1 1 113 113 ASN N N 113 119.747 119.747 116.016 3.731 25411 10357 1 19 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.788 -0.144 25411 10358 1 19 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.259 1.386 25411 10359 1 19 . 1 1 113 113 ASN CB C 113 38.646 38.646 39.859 -1.213 25411 10360 1 19 . 1 1 113 113 ASN H H 113 7.944 7.944 7.568 0.376 25411 10361 1 19 . 1 1 114 114 SER N N 114 115.433 115.433 115.913 -0.480 25411 10362 1 19 . 1 1 114 114 SER HA H 114 4.336 4.336 4.508 -0.172 25411 10363 1 19 . 1 1 114 114 SER CA C 114 58.711 58.711 59.952 -1.241 25411 10364 1 19 . 1 1 114 114 SER CB C 114 63.308 63.308 61.321 1.987 25411 10365 1 19 . 1 1 114 114 SER H H 114 7.962 7.962 8.675 -0.713 25411 10366 1 19 . 1 1 115 115 GLN N N 115 121.682 121.682 122.164 -0.482 25411 10367 1 19 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.571 -0.297 25411 10368 1 19 . 1 1 115 115 GLN CA C 115 56.193 56.193 55.399 0.794 25411 10369 1 19 . 1 1 115 115 GLN CB C 115 28.807 28.807 31.187 -2.380 25411 10370 1 19 . 1 1 115 115 GLN H H 115 8.207 8.207 8.322 -0.115 25411 10371 1 19 . 1 1 116 116 THR N N 116 114.715 114.715 109.307 5.408 25411 10372 1 19 . 1 1 116 116 THR HA H 116 4.225 4.225 4.541 -0.316 25411 10373 1 19 . 1 1 116 116 THR CA C 116 62.109 62.109 60.713 1.396 25411 10374 1 19 . 1 1 116 116 THR CB C 116 69.336 69.336 70.405 -1.069 25411 10375 1 19 . 1 1 116 116 THR H H 116 8.062 8.062 7.788 0.274 25411 10376 1 19 . 1 1 117 117 ASP N N 117 122.602 122.602 121.527 1.075 25411 10377 1 19 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.270 0.298 25411 10378 1 19 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.745 -2.542 25411 10379 1 19 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.053 0.612 25411 10380 1 19 . 1 1 117 117 ASP H H 117 8.065 8.065 8.974 -0.909 25411 10381 1 19 . 1 1 118 118 LEU N N 118 122.140 122.140 119.867 2.273 25411 10382 1 19 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.222 -0.067 25411 10383 1 19 . 1 1 118 118 LEU CA C 118 55.423 55.423 54.594 0.829 25411 10384 1 19 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.446 0.427 25411 10385 1 19 . 1 1 118 118 LEU H H 118 8.085 8.085 7.564 0.521 25411 10386 1 19 . 1 1 119 119 GLU N N 119 119.672 119.672 116.306 3.366 25411 10387 1 19 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.710 0.358 25411 10388 1 19 . 1 1 119 119 GLU CA C 119 56.565 56.565 56.987 -0.422 25411 10389 1 19 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.315 2.257 25411 10390 1 19 . 1 1 119 119 GLU H H 119 8.143 8.143 7.498 0.645 25411 10391 1 19 . 1 1 120 120 HIS N N 120 118.301 118.301 117.024 1.277 25411 10392 1 19 . 1 1 120 120 HIS CA C 120 55.883 55.883 57.637 -1.754 25411 10393 1 19 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.329 -0.059 25411 10394 1 19 . 1 1 120 120 HIS H H 120 8.107 8.107 7.366 0.741 25411 10395 1 19 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.685 -0.677 25411 10396 1 19 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.403 -0.237 25411 10397 1 19 . 1 1 121 121 HIS CB C 121 28.759 28.759 29.827 -1.068 25411 10398 1 19 . 1 1 122 122 HIS N N 122 122.407 122.407 117.688 4.719 25411 10399 1 19 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.725 -0.507 25411 10400 1 19 . 1 1 122 122 HIS CA C 122 56.081 56.081 53.940 2.141 25411 10401 1 19 . 1 1 122 122 HIS CB C 122 29.371 29.371 32.125 -2.754 25411 10402 1 19 . 1 1 122 122 HIS H H 122 8.489 8.489 8.142 0.347 25411 10403 1 19 . 1 1 123 123 HIS N N 123 122.868 122.868 118.800 4.068 25411 10404 1 19 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.331 0.056 25411 10405 1 19 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.176 -0.866 25411 10406 1 19 . 1 1 123 123 HIS CB C 123 29.502 29.502 28.811 0.691 25411 10407 1 19 . 1 1 123 123 HIS H H 123 8.596 8.596 8.221 0.375 25411 10408 1 19 . 1 1 124 124 HIS N N 124 123.734 123.734 123.140 0.594 25411 10409 1 19 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.862 -0.305 25411 10410 1 19 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.295 1.090 25411 10411 1 19 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.477 0.881 25411 10412 1 19 . 1 1 124 124 HIS H H 124 8.255 8.255 8.288 -0.033 25411 10413 1 20 . 1 1 3 3 GLN N N 3 122.360 122.360 120.869 1.491 25411 10414 1 20 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.460 -0.572 25411 10415 1 20 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.641 2.101 25411 10416 1 20 . 1 1 3 3 GLN CB C 3 28.383 28.383 29.010 -0.627 25411 10417 1 20 . 1 1 3 3 GLN H H 3 9.398 9.398 8.350 1.048 25411 10418 1 20 . 1 1 4 4 GLU N N 4 119.689 119.689 120.960 -1.271 25411 10419 1 20 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.183 0.491 25411 10420 1 20 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.632 0.175 25411 10421 1 20 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.680 0.020 25411 10422 1 20 . 1 1 4 4 GLU H H 4 7.464 7.464 8.883 -1.419 25411 10423 1 20 . 1 1 5 5 LEU N N 5 114.872 114.872 122.343 -7.471 25411 10424 1 20 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.203 -0.502 25411 10425 1 20 . 1 1 5 5 LEU CA C 5 57.738 57.738 57.549 0.189 25411 10426 1 20 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.906 -1.091 25411 10427 1 20 . 1 1 5 5 LEU H H 5 8.206 8.206 8.271 -0.065 25411 10428 1 20 . 1 1 6 6 SER N N 6 109.762 109.762 113.310 -3.548 25411 10429 1 20 . 1 1 6 6 SER HA H 6 4.092 4.092 4.127 -0.035 25411 10430 1 20 . 1 1 6 6 SER CA C 6 60.415 60.415 61.946 -1.531 25411 10431 1 20 . 1 1 6 6 SER CB C 6 63.391 63.391 62.612 0.779 25411 10432 1 20 . 1 1 6 6 SER H H 6 8.253 8.253 8.236 0.017 25411 10433 1 20 . 1 1 7 7 GLN N N 7 117.498 117.498 122.827 -5.329 25411 10434 1 20 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.183 -0.228 25411 10435 1 20 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.559 -0.134 25411 10436 1 20 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.641 0.098 25411 10437 1 20 . 1 1 7 7 GLN H H 7 8.673 8.673 7.999 0.674 25411 10438 1 20 . 1 1 8 8 HIS HA H 8 3.797 3.797 3.996 -0.199 25411 10439 1 20 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.792 -0.737 25411 10440 1 20 . 1 1 8 8 HIS CB C 8 29.109 29.109 29.959 -0.850 25411 10441 1 20 . 1 1 9 9 GLU N N 9 120.354 120.354 119.299 1.055 25411 10442 1 20 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.335 -0.376 25411 10443 1 20 . 1 1 9 9 GLU CA C 9 60.258 60.258 58.744 1.514 25411 10444 1 20 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.534 -0.307 25411 10445 1 20 . 1 1 9 9 GLU H H 9 7.690 7.690 8.527 -0.837 25411 10446 1 20 . 1 1 10 10 ARG N N 10 118.753 118.753 120.310 -1.557 25411 10447 1 20 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.047 0.052 25411 10448 1 20 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.565 -1.343 25411 10449 1 20 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.178 -1.083 25411 10450 1 20 . 1 1 10 10 ARG H H 10 8.928 8.928 8.149 0.779 25411 10451 1 20 . 1 1 11 11 TYR N N 11 121.288 121.288 118.991 2.297 25411 10452 1 20 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.232 -0.043 25411 10453 1 20 . 1 1 11 11 TYR CA C 11 61.236 61.236 61.979 -0.743 25411 10454 1 20 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.355 -0.494 25411 10455 1 20 . 1 1 11 11 TYR H H 11 7.562 7.562 8.760 -1.198 25411 10456 1 20 . 1 1 12 12 VAL N N 12 119.304 119.304 119.937 -0.633 25411 10457 1 20 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.626 -0.543 25411 10458 1 20 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.202 0.633 25411 10459 1 20 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.288 -0.188 25411 10460 1 20 . 1 1 12 12 VAL H H 12 8.075 8.075 7.607 0.468 25411 10461 1 20 . 1 1 13 13 GLU N N 13 119.685 119.685 120.204 -0.519 25411 10462 1 20 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.031 0.124 25411 10463 1 20 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.300 0.125 25411 10464 1 20 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.194 -0.006 25411 10465 1 20 . 1 1 13 13 GLU H H 13 8.278 8.278 7.924 0.354 25411 10466 1 20 . 1 1 14 14 GLN N N 14 119.682 119.682 119.777 -0.095 25411 10467 1 20 . 1 1 14 14 GLN HA H 14 3.656 3.656 3.982 -0.326 25411 10468 1 20 . 1 1 14 14 GLN CA C 14 59.969 59.969 59.028 0.941 25411 10469 1 20 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.565 1.108 25411 10470 1 20 . 1 1 14 14 GLN H H 14 7.653 7.653 8.082 -0.429 25411 10471 1 20 . 1 1 15 15 LEU N N 15 121.000 121.000 118.155 2.845 25411 10472 1 20 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.182 -0.261 25411 10473 1 20 . 1 1 15 15 LEU CA C 15 58.455 58.455 56.649 1.806 25411 10474 1 20 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.094 -0.334 25411 10475 1 20 . 1 1 15 15 LEU H H 15 8.402 8.402 8.421 -0.019 25411 10476 1 20 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.876 -0.180 25411 10477 1 20 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.485 -0.227 25411 10478 1 20 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.308 -0.173 25411 10479 1 20 . 1 1 17 17 GLN N N 17 117.558 117.558 118.385 -0.827 25411 10480 1 20 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.014 -0.127 25411 10481 1 20 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.993 -0.551 25411 10482 1 20 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.650 -0.605 25411 10483 1 20 . 1 1 17 17 GLN H H 17 7.849 7.849 8.074 -0.225 25411 10484 1 20 . 1 1 18 18 ALA N N 18 120.288 120.288 123.019 -2.731 25411 10485 1 20 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.145 -0.357 25411 10486 1 20 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.891 0.002 25411 10487 1 20 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.590 -1.194 25411 10488 1 20 . 1 1 18 18 ALA H H 18 8.504 8.504 8.188 0.316 25411 10489 1 20 . 1 1 19 19 LEU N N 19 116.974 116.974 117.906 -0.932 25411 10490 1 20 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.041 -0.282 25411 10491 1 20 . 1 1 19 19 LEU CA C 19 57.552 57.552 57.047 0.504 25411 10492 1 20 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.752 -1.059 25411 10493 1 20 . 1 1 19 19 LEU H H 19 8.143 8.143 8.337 -0.194 25411 10494 1 20 . 1 1 20 20 LYS N N 20 117.776 117.776 121.192 -3.416 25411 10495 1 20 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.108 -0.153 25411 10496 1 20 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.823 -0.279 25411 10497 1 20 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.554 -2.068 25411 10498 1 20 . 1 1 20 20 LYS H H 20 8.340 8.340 8.168 0.172 25411 10499 1 20 . 1 1 21 21 THR N N 21 116.373 116.373 111.933 4.440 25411 10500 1 20 . 1 1 21 21 THR HA H 21 4.107 4.107 4.206 -0.099 25411 10501 1 20 . 1 1 21 21 THR CA C 21 64.611 64.611 64.554 0.057 25411 10502 1 20 . 1 1 21 21 THR CB C 21 68.811 68.811 68.349 0.462 25411 10503 1 20 . 1 1 21 21 THR H H 21 7.302 7.302 8.118 -0.816 25411 10504 1 20 . 1 1 22 22 ARG N N 22 118.647 118.647 119.330 -0.683 25411 10505 1 20 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.482 -0.120 25411 10506 1 20 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.632 -1.567 25411 10507 1 20 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.238 -1.710 25411 10508 1 20 . 1 1 22 22 ARG H H 22 7.290 7.290 7.568 -0.278 25411 10509 1 20 . 1 1 23 23 GLY N N 23 108.637 108.637 107.236 1.401 25411 10510 1 20 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.209 0.903 25411 10511 1 20 . 1 1 23 23 GLY H H 23 7.881 7.881 7.640 0.241 25411 10512 1 20 . 1 1 24 24 VAL N N 24 117.390 117.390 123.529 -6.139 25411 10513 1 20 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.776 0.238 25411 10514 1 20 . 1 1 24 24 VAL CA C 24 61.668 61.668 62.559 -0.891 25411 10515 1 20 . 1 1 24 24 VAL CB C 24 32.372 32.372 29.402 2.970 25411 10516 1 20 . 1 1 24 24 VAL H H 24 7.333 7.333 7.559 -0.226 25411 10517 1 20 . 1 1 25 25 LYS N N 25 127.322 127.322 121.271 6.051 25411 10518 1 20 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.927 0.405 25411 10519 1 20 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.343 -1.581 25411 10520 1 20 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.634 0.126 25411 10521 1 20 . 1 1 25 25 LYS H H 25 8.722 8.722 8.336 0.386 25411 10522 1 20 . 1 1 26 26 VAL N N 26 120.568 120.568 119.864 0.704 25411 10523 1 20 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.223 -0.145 25411 10524 1 20 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.757 -1.092 25411 10525 1 20 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.696 -0.049 25411 10526 1 20 . 1 1 26 26 VAL H H 26 7.119 7.119 8.241 -1.122 25411 10527 1 20 . 1 1 27 27 LYS N N 27 125.675 125.675 127.517 -1.842 25411 10528 1 20 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.361 -0.035 25411 10529 1 20 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.258 0.153 25411 10530 1 20 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.869 -2.910 25411 10531 1 20 . 1 1 27 27 LYS H H 27 8.570 8.570 8.056 0.514 25411 10532 1 20 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.462 -0.445 25411 10533 1 20 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.858 -2.446 25411 10534 1 20 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.803 2.037 25411 10535 1 20 . 1 1 29 29 ALA N N 29 120.743 120.743 127.634 -6.891 25411 10536 1 20 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.171 -0.503 25411 10537 1 20 . 1 1 29 29 ALA CA C 29 54.678 54.678 54.788 -0.110 25411 10538 1 20 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.799 -0.799 25411 10539 1 20 . 1 1 29 29 ALA H H 29 8.323 8.323 8.807 -0.484 25411 10540 1 20 . 1 1 30 30 ASP N N 30 117.202 117.202 119.247 -2.045 25411 10541 1 20 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.612 -0.331 25411 10542 1 20 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.358 0.195 25411 10543 1 20 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.607 0.200 25411 10544 1 20 . 1 1 30 30 ASP H H 30 6.872 6.872 8.781 -1.909 25411 10545 1 20 . 1 1 31 31 LEU N N 31 122.273 122.273 118.555 3.718 25411 10546 1 20 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.332 -0.786 25411 10547 1 20 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.550 0.175 25411 10548 1 20 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.199 -1.541 25411 10549 1 20 . 1 1 31 31 LEU H H 31 7.433 7.433 7.649 -0.216 25411 10550 1 20 . 1 1 32 32 LEU N N 32 123.376 123.376 119.085 4.291 25411 10551 1 20 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.261 -0.646 25411 10552 1 20 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.059 0.037 25411 10553 1 20 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.948 -1.406 25411 10554 1 20 . 1 1 32 32 LEU H H 32 8.727 8.727 7.948 0.779 25411 10555 1 20 . 1 1 33 33 LYS N N 33 118.078 118.078 120.239 -2.161 25411 10556 1 20 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.479 -0.266 25411 10557 1 20 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.283 -0.185 25411 10558 1 20 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.039 -0.149 25411 10559 1 20 . 1 1 33 33 LYS H H 33 7.149 7.149 7.719 -0.570 25411 10560 1 20 . 1 1 34 34 PHE N N 34 117.398 117.398 121.113 -3.715 25411 10561 1 20 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.180 -4.485 25411 10562 1 20 . 1 1 34 34 PHE CB C 34 41.219 41.219 38.894 2.325 25411 10563 1 20 . 1 1 34 34 PHE H H 34 7.633 7.633 8.360 -0.727 25411 10564 1 20 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.119 -0.326 25411 10565 1 20 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.839 -0.247 25411 10566 1 20 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.431 -2.417 25411 10567 1 20 . 1 1 36 36 ASP N N 36 120.136 120.136 119.694 0.442 25411 10568 1 20 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.321 -0.225 25411 10569 1 20 . 1 1 36 36 ASP CA C 36 56.941 56.941 56.884 0.057 25411 10570 1 20 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.478 -1.374 25411 10571 1 20 . 1 1 36 36 ASP H H 36 8.330 8.330 8.871 -0.541 25411 10572 1 20 . 1 1 37 37 PHE N N 37 121.883 121.883 121.490 0.393 25411 10573 1 20 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.156 0.102 25411 10574 1 20 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.721 -2.022 25411 10575 1 20 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.161 1.024 25411 10576 1 20 . 1 1 37 37 PHE H H 37 7.794 7.794 8.396 -0.602 25411 10577 1 20 . 1 1 38 38 VAL N N 38 118.525 118.525 118.983 -0.458 25411 10578 1 20 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.779 -0.740 25411 10579 1 20 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.430 0.453 25411 10580 1 20 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.610 -0.922 25411 10581 1 20 . 1 1 38 38 VAL H H 38 8.262 8.262 7.937 0.325 25411 10582 1 20 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.985 -0.529 25411 10583 1 20 . 1 1 39 39 LYS CA C 39 59.054 59.054 58.277 0.777 25411 10584 1 20 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.848 -0.152 25411 10585 1 20 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.648 -0.203 25411 10586 1 20 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.476 0.509 25411 10587 1 20 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.863 -1.171 25411 10588 1 20 . 1 1 41 41 ILE N N 41 120.641 120.641 118.066 2.575 25411 10589 1 20 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.010 0.015 25411 10590 1 20 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.150 -2.498 25411 10591 1 20 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.590 -0.526 25411 10592 1 20 . 1 1 41 41 ILE H H 41 8.788 8.788 7.843 0.945 25411 10593 1 20 . 1 1 42 42 CYS N N 42 117.896 117.896 116.612 1.284 25411 10594 1 20 . 1 1 42 42 CYS CA C 42 56.172 56.172 56.521 -0.349 25411 10595 1 20 . 1 1 42 42 CYS CB C 42 28.324 28.324 27.716 0.608 25411 10596 1 20 . 1 1 42 42 CYS H H 42 7.180 7.180 7.581 -0.401 25411 10597 1 20 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.183 0.132 25411 10598 1 20 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.594 0.409 25411 10599 1 20 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.753 -1.038 25411 10600 1 20 . 1 1 44 44 TRP N N 44 113.823 113.823 116.716 -2.893 25411 10601 1 20 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.388 -0.083 25411 10602 1 20 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.240 -1.842 25411 10603 1 20 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.250 -1.439 25411 10604 1 20 . 1 1 44 44 TRP H H 44 6.591 6.591 7.720 -1.129 25411 10605 1 20 . 1 1 45 45 PHE N N 45 123.100 123.100 116.263 6.837 25411 10606 1 20 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.030 -1.029 25411 10607 1 20 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.867 7.942 25411 10608 1 20 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.419 -3.484 25411 10609 1 20 . 1 1 45 45 PHE H H 45 7.239 7.239 7.284 -0.045 25411 10610 1 20 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.273 -0.261 25411 10611 1 20 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.701 -0.170 25411 10612 1 20 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.714 -1.227 25411 10613 1 20 . 1 1 47 47 GLN N N 47 114.502 114.502 116.280 -1.778 25411 10614 1 20 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.089 -0.152 25411 10615 1 20 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.367 0.037 25411 10616 1 20 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.852 0.468 25411 10617 1 20 . 1 1 47 47 GLN H H 47 6.518 6.518 8.690 -2.172 25411 10618 1 20 . 1 1 48 48 GLU N N 48 117.358 117.358 118.863 -1.505 25411 10619 1 20 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.207 -0.169 25411 10620 1 20 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.718 1.454 25411 10621 1 20 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.159 -1.205 25411 10622 1 20 . 1 1 48 48 GLU H H 48 7.318 7.318 7.833 -0.515 25411 10623 1 20 . 1 1 49 49 GLY N N 49 105.534 105.534 108.643 -3.109 25411 10624 1 20 . 1 1 49 49 GLY CA C 49 47.303 47.303 46.051 1.252 25411 10625 1 20 . 1 1 49 49 GLY H H 49 7.296 7.296 7.793 -0.497 25411 10626 1 20 . 1 1 50 50 THR N N 50 114.069 114.069 113.077 0.992 25411 10627 1 20 . 1 1 50 50 THR HA H 50 4.234 4.234 4.554 -0.320 25411 10628 1 20 . 1 1 50 50 THR CA C 50 61.683 61.683 60.635 1.048 25411 10629 1 20 . 1 1 50 50 THR CB C 50 70.718 70.718 71.110 -0.392 25411 10630 1 20 . 1 1 50 50 THR H H 50 7.597 7.597 7.390 0.207 25411 10631 1 20 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.263 -0.138 25411 10632 1 20 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.804 -1.934 25411 10633 1 20 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.193 -3.905 25411 10634 1 20 . 1 1 52 52 ASP N N 52 121.791 121.791 124.111 -2.320 25411 10635 1 20 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.736 -0.113 25411 10636 1 20 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.770 -1.038 25411 10637 1 20 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.007 -1.546 25411 10638 1 20 . 1 1 52 52 ASP H H 52 7.168 7.168 8.096 -0.928 25411 10639 1 20 . 1 1 53 53 ILE N N 53 119.537 119.537 118.255 1.282 25411 10640 1 20 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.539 -0.404 25411 10641 1 20 . 1 1 53 53 ILE CA C 53 61.796 61.796 61.537 0.259 25411 10642 1 20 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.874 -2.059 25411 10643 1 20 . 1 1 53 53 ILE H H 53 8.336 8.336 8.516 -0.180 25411 10644 1 20 . 1 1 54 54 LYS N N 54 123.592 123.592 121.892 1.700 25411 10645 1 20 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.162 -0.057 25411 10646 1 20 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.023 -0.051 25411 10647 1 20 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.230 -0.482 25411 10648 1 20 . 1 1 54 54 LYS H H 54 8.104 8.104 8.096 0.008 25411 10649 1 20 . 1 1 55 55 ARG N N 55 120.511 120.511 119.196 1.315 25411 10650 1 20 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.046 0.255 25411 10651 1 20 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.225 0.678 25411 10652 1 20 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.214 -0.158 25411 10653 1 20 . 1 1 55 55 ARG H H 55 9.196 9.196 9.117 0.079 25411 10654 1 20 . 1 1 56 56 TRP N N 56 120.681 120.681 121.974 -1.293 25411 10655 1 20 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.341 0.362 25411 10656 1 20 . 1 1 56 56 TRP CA C 56 59.406 59.406 59.752 -0.346 25411 10657 1 20 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.155 0.859 25411 10658 1 20 . 1 1 56 56 TRP H H 56 8.899 8.899 9.234 -0.335 25411 10659 1 20 . 1 1 57 57 ARG N N 57 122.115 122.115 120.281 1.834 25411 10660 1 20 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.123 1.284 25411 10661 1 20 . 1 1 57 57 ARG CA C 57 60.027 60.027 58.178 1.849 25411 10662 1 20 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.502 0.284 25411 10663 1 20 . 1 1 57 57 ARG H H 57 9.210 9.210 7.872 1.338 25411 10664 1 20 . 1 1 58 58 ARG N N 58 120.918 120.918 119.195 1.723 25411 10665 1 20 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.654 0.191 25411 10666 1 20 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.003 -0.274 25411 10667 1 20 . 1 1 58 58 ARG H H 58 7.640 7.640 7.586 0.054 25411 10668 1 20 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.713 0.051 25411 10669 1 20 . 1 1 59 59 VAL CA C 59 66.000 66.000 66.017 -0.017 25411 10670 1 20 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.492 -0.660 25411 10671 1 20 . 1 1 59 59 VAL H H 59 7.916 7.916 7.717 0.199 25411 10672 1 20 . 1 1 60 60 GLY N N 60 106.856 106.856 107.353 -0.497 25411 10673 1 20 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.222 -1.141 25411 10674 1 20 . 1 1 60 60 GLY H H 60 7.623 7.623 8.353 -0.730 25411 10675 1 20 . 1 1 61 61 ASP N N 61 123.308 123.308 122.833 0.475 25411 10676 1 20 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.415 -0.190 25411 10677 1 20 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.219 -0.419 25411 10678 1 20 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.725 -1.241 25411 10679 1 20 . 1 1 61 61 ASP H H 61 8.203 8.203 8.061 0.142 25411 10680 1 20 . 1 1 62 62 CYS N N 62 120.841 120.841 118.466 2.375 25411 10681 1 20 . 1 1 62 62 CYS HA H 62 4.238 4.238 3.997 0.241 25411 10682 1 20 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.168 -1.218 25411 10683 1 20 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.790 -0.287 25411 10684 1 20 . 1 1 62 62 CYS H H 62 7.795 7.795 7.558 0.237 25411 10685 1 20 . 1 1 63 63 PHE N N 63 119.763 119.763 118.657 1.106 25411 10686 1 20 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.302 -0.024 25411 10687 1 20 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.456 -2.800 25411 10688 1 20 . 1 1 63 63 PHE CB C 63 36.990 36.990 38.333 -1.343 25411 10689 1 20 . 1 1 63 63 PHE H H 63 8.647 8.647 7.694 0.953 25411 10690 1 20 . 1 1 64 64 GLN N N 64 118.578 118.578 120.070 -1.492 25411 10691 1 20 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.078 0.230 25411 10692 1 20 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.965 0.368 25411 10693 1 20 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.563 0.016 25411 10694 1 20 . 1 1 64 64 GLN H H 64 8.261 8.261 8.523 -0.262 25411 10695 1 20 . 1 1 65 65 ASP N N 65 119.534 119.534 121.385 -1.851 25411 10696 1 20 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.391 0.093 25411 10697 1 20 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.137 0.192 25411 10698 1 20 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.858 -1.187 25411 10699 1 20 . 1 1 65 65 ASP H H 65 8.338 8.338 8.472 -0.134 25411 10700 1 20 . 1 1 66 66 TYR N N 66 123.600 123.600 121.889 1.711 25411 10701 1 20 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.951 0.551 25411 10702 1 20 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.120 -0.889 25411 10703 1 20 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.519 -0.086 25411 10704 1 20 . 1 1 66 66 TYR H H 66 7.804 7.804 8.363 -0.559 25411 10705 1 20 . 1 1 67 67 TYR N N 67 122.825 122.825 118.119 4.706 25411 10706 1 20 . 1 1 67 67 TYR HA H 67 3.997 3.997 4.228 -0.231 25411 10707 1 20 . 1 1 67 67 TYR CA C 67 61.903 61.903 62.008 -0.105 25411 10708 1 20 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.724 0.222 25411 10709 1 20 . 1 1 67 67 TYR H H 67 9.100 9.100 8.193 0.907 25411 10710 1 20 . 1 1 68 68 ASN N N 68 118.826 118.826 116.839 1.987 25411 10711 1 20 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.404 -0.121 25411 10712 1 20 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.921 -0.489 25411 10713 1 20 . 1 1 68 68 ASN CB C 68 37.876 37.876 37.831 0.044 25411 10714 1 20 . 1 1 68 68 ASN H H 68 8.853 8.853 8.661 0.192 25411 10715 1 20 . 1 1 69 69 THR N N 69 114.242 114.242 115.181 -0.939 25411 10716 1 20 . 1 1 69 69 THR HA H 69 3.837 3.837 4.077 -0.240 25411 10717 1 20 . 1 1 69 69 THR CA C 69 65.328 65.328 65.178 0.150 25411 10718 1 20 . 1 1 69 69 THR CB C 69 69.249 69.249 68.061 1.188 25411 10719 1 20 . 1 1 69 69 THR H H 69 7.847 7.847 8.090 -0.243 25411 10720 1 20 . 1 1 70 70 PHE N N 70 117.970 117.970 118.739 -0.769 25411 10721 1 20 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.330 0.234 25411 10722 1 20 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.266 -0.024 25411 10723 1 20 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.391 2.683 25411 10724 1 20 . 1 1 70 70 PHE H H 70 8.489 8.489 7.220 1.269 25411 10725 1 20 . 1 1 71 71 GLY N N 71 109.516 109.516 108.097 1.419 25411 10726 1 20 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.833 0.199 25411 10727 1 20 . 1 1 71 71 GLY H H 71 7.968 7.968 7.523 0.445 25411 10728 1 20 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.424 0.287 25411 10729 1 20 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.224 1.073 25411 10730 1 20 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.306 0.438 25411 10731 1 20 . 1 1 73 73 GLU N N 73 117.720 117.720 126.695 -8.975 25411 10732 1 20 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.059 -0.160 25411 10733 1 20 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.656 0.081 25411 10734 1 20 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.580 -0.717 25411 10735 1 20 . 1 1 73 73 GLU H H 73 8.586 8.586 8.416 0.170 25411 10736 1 20 . 1 1 74 74 LYS N N 74 116.974 116.974 118.824 -1.850 25411 10737 1 20 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.400 -0.011 25411 10738 1 20 . 1 1 74 74 LYS CA C 74 55.185 55.185 54.757 0.428 25411 10739 1 20 . 1 1 74 74 LYS CB C 74 34.087 34.087 30.918 3.169 25411 10740 1 20 . 1 1 74 74 LYS H H 74 7.505 7.505 8.222 -0.717 25411 10741 1 20 . 1 1 75 75 VAL N N 75 117.309 117.309 123.428 -6.119 25411 10742 1 20 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.221 0.092 25411 10743 1 20 . 1 1 75 75 VAL CA C 75 62.045 62.045 61.240 0.805 25411 10744 1 20 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.359 -0.375 25411 10745 1 20 . 1 1 75 75 VAL H H 75 7.402 7.402 7.436 -0.034 25411 10746 1 20 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.537 0.025 25411 10747 1 20 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.843 -1.156 25411 10748 1 20 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.512 -0.781 25411 10749 1 20 . 1 1 77 77 VAL N N 77 120.870 120.870 121.871 -1.001 25411 10750 1 20 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.201 -0.373 25411 10751 1 20 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.274 1.564 25411 10752 1 20 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.771 -0.384 25411 10753 1 20 . 1 1 77 77 VAL H H 77 8.473 8.473 8.843 -0.370 25411 10754 1 20 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.865 -0.013 25411 10755 1 20 . 1 1 78 78 ILE CA C 78 61.125 61.125 63.962 -2.837 25411 10756 1 20 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.952 0.183 25411 10757 1 20 . 1 1 78 78 ILE H H 78 8.388 8.388 7.967 0.421 25411 10758 1 20 . 1 1 79 79 ALA N N 79 123.960 123.960 122.655 1.305 25411 10759 1 20 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.071 -0.181 25411 10760 1 20 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.763 0.126 25411 10761 1 20 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.188 -0.565 25411 10762 1 20 . 1 1 79 79 ALA H H 79 7.953 7.953 8.033 -0.080 25411 10763 1 20 . 1 1 80 80 PHE N N 80 114.330 114.330 114.540 -0.210 25411 10764 1 20 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.598 -0.167 25411 10765 1 20 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.893 1.419 25411 10766 1 20 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.068 -1.412 25411 10767 1 20 . 1 1 80 80 PHE H H 80 7.499 7.499 8.295 -0.796 25411 10768 1 20 . 1 1 81 81 SER N N 81 115.971 115.971 114.567 1.404 25411 10769 1 20 . 1 1 81 81 SER HA H 81 4.206 4.206 4.487 -0.281 25411 10770 1 20 . 1 1 81 81 SER CA C 81 58.432 58.432 60.134 -1.702 25411 10771 1 20 . 1 1 81 81 SER CB C 81 63.575 63.575 63.479 0.096 25411 10772 1 20 . 1 1 81 81 SER H H 81 8.225 8.225 7.614 0.611 25411 10773 1 20 . 1 1 82 82 TYR N N 82 121.997 121.997 122.742 -0.745 25411 10774 1 20 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.368 0.079 25411 10775 1 20 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.531 -4.646 25411 10776 1 20 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.980 -1.142 25411 10777 1 20 . 1 1 82 82 TYR H H 82 8.378 8.378 7.630 0.748 25411 10778 1 20 . 1 1 83 83 TRP N N 83 120.268 120.268 121.254 -0.986 25411 10779 1 20 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.394 -5.001 25411 10780 1 20 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.955 -1.061 25411 10781 1 20 . 1 1 83 83 TRP H H 83 8.546 8.546 9.557 -1.011 25411 10782 1 20 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.328 -0.108 25411 10783 1 20 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.730 -0.101 25411 10784 1 20 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.755 1.310 25411 10785 1 20 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.109 -0.063 25411 10786 1 20 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.073 1.069 25411 10787 1 20 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.764 -0.072 25411 10788 1 20 . 1 1 86 86 ILE N N 86 117.000 117.000 120.602 -3.602 25411 10789 1 20 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.491 -0.045 25411 10790 1 20 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.753 -2.470 25411 10791 1 20 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.034 -1.622 25411 10792 1 20 . 1 1 86 86 ILE H H 86 7.882 7.882 7.747 0.135 25411 10793 1 20 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.739 -0.513 25411 10794 1 20 . 1 1 87 87 LYS CA C 87 59.996 59.996 58.919 1.077 25411 10795 1 20 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.624 -0.574 25411 10796 1 20 . 1 1 88 88 GLU N N 88 116.404 116.404 117.517 -1.113 25411 10797 1 20 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.156 -0.309 25411 10798 1 20 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.316 0.595 25411 10799 1 20 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.628 -0.659 25411 10800 1 20 . 1 1 88 88 GLU H H 88 7.689 7.689 7.464 0.225 25411 10801 1 20 . 1 1 89 89 LEU N N 89 118.193 118.193 121.768 -3.575 25411 10802 1 20 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.078 -0.189 25411 10803 1 20 . 1 1 89 89 LEU CA C 89 57.963 57.963 57.074 0.889 25411 10804 1 20 . 1 1 89 89 LEU CB C 89 41.300 41.300 41.969 -0.669 25411 10805 1 20 . 1 1 89 89 LEU H H 89 7.415 7.415 7.860 -0.445 25411 10806 1 20 . 1 1 90 90 ILE N N 90 115.471 115.471 120.536 -5.065 25411 10807 1 20 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.608 -0.190 25411 10808 1 20 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.048 0.860 25411 10809 1 20 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.489 0.105 25411 10810 1 20 . 1 1 90 90 ILE H H 90 7.718 7.718 7.648 0.070 25411 10811 1 20 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.361 -0.641 25411 10812 1 20 . 1 1 91 91 ASP CA C 91 57.664 57.664 57.218 0.446 25411 10813 1 20 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.816 -0.284 25411 10814 1 20 . 1 1 92 92 LYS N N 92 119.253 119.253 118.260 0.993 25411 10815 1 20 . 1 1 92 92 LYS CA C 92 58.897 58.897 57.249 1.647 25411 10816 1 20 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.469 -0.481 25411 10817 1 20 . 1 1 92 92 LYS H H 92 7.869 7.869 7.712 0.157 25411 10818 1 20 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.929 0.602 25411 10819 1 20 . 1 1 93 93 LYS CA C 93 55.258 55.258 59.149 -3.891 25411 10820 1 20 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.244 -0.075 25411 10821 1 20 . 1 1 94 94 GLU N N 94 116.729 116.729 119.164 -2.435 25411 10822 1 20 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.144 -0.011 25411 10823 1 20 . 1 1 94 94 GLU CA C 94 59.319 59.319 58.228 1.091 25411 10824 1 20 . 1 1 94 94 GLU CB C 94 27.375 27.375 28.829 -1.454 25411 10825 1 20 . 1 1 94 94 GLU H H 94 8.393 8.393 7.890 0.503 25411 10826 1 20 . 1 1 95 95 VAL N N 95 121.696 121.696 117.650 4.046 25411 10827 1 20 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.867 0.615 25411 10828 1 20 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.658 3.063 25411 10829 1 20 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.372 1.522 25411 10830 1 20 . 1 1 95 95 VAL H H 95 7.923 7.923 7.745 0.178 25411 10831 1 20 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.789 -0.431 25411 10832 1 20 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.103 0.504 25411 10833 1 20 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.827 -0.953 25411 10834 1 20 . 1 1 98 98 GLN N N 98 117.731 117.731 119.218 -1.487 25411 10835 1 20 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.075 -0.150 25411 10836 1 20 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.384 0.224 25411 10837 1 20 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.824 0.697 25411 10838 1 20 . 1 1 98 98 GLN H H 98 8.359 8.359 8.804 -0.445 25411 10839 1 20 . 1 1 99 99 VAL N N 99 121.326 121.326 117.820 3.506 25411 10840 1 20 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.793 -0.373 25411 10841 1 20 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.276 1.128 25411 10842 1 20 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.467 0.152 25411 10843 1 20 . 1 1 99 99 VAL H H 99 7.901 7.901 8.165 -0.264 25411 10844 1 20 . 1 1 100 100 MET N N 100 120.447 120.447 116.352 4.095 25411 10845 1 20 . 1 1 100 100 MET HA H 100 3.812 3.812 4.357 -0.545 25411 10846 1 20 . 1 1 100 100 MET CA C 100 59.297 59.297 57.971 1.326 25411 10847 1 20 . 1 1 100 100 MET CB C 100 32.099 32.099 33.181 -1.083 25411 10848 1 20 . 1 1 100 100 MET H H 100 7.509 7.509 7.423 0.086 25411 10849 1 20 . 1 1 101 101 ALA N N 101 119.458 119.458 121.371 -1.913 25411 10850 1 20 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.105 0.105 25411 10851 1 20 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.268 0.484 25411 10852 1 20 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.501 -0.980 25411 10853 1 20 . 1 1 101 101 ALA H H 101 7.889 7.889 7.578 0.311 25411 10854 1 20 . 1 1 102 102 ALA N N 102 119.627 119.627 121.327 -1.700 25411 10855 1 20 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.093 -0.100 25411 10856 1 20 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.573 0.315 25411 10857 1 20 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.304 -0.960 25411 10858 1 20 . 1 1 102 102 ALA H H 102 7.563 7.563 8.303 -0.740 25411 10859 1 20 . 1 1 103 103 VAL N N 103 122.690 122.690 118.281 4.409 25411 10860 1 20 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.797 0.276 25411 10861 1 20 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.439 -3.754 25411 10862 1 20 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.699 1.523 25411 10863 1 20 . 1 1 103 103 VAL H H 103 8.828 8.828 8.014 0.814 25411 10864 1 20 . 1 1 104 104 ALA N N 104 128.041 128.041 120.728 7.313 25411 10865 1 20 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.102 0.167 25411 10866 1 20 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.994 -2.853 25411 10867 1 20 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.405 0.535 25411 10868 1 20 . 1 1 104 104 ALA H H 104 8.367 8.367 7.601 0.766 25411 10869 1 20 . 1 1 105 105 GLN N N 105 120.265 120.265 114.451 5.814 25411 10870 1 20 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.166 -0.235 25411 10871 1 20 . 1 1 105 105 GLN CB C 105 29.020 29.020 29.217 -0.197 25411 10872 1 20 . 1 1 105 105 GLN H H 105 8.356 8.356 7.631 0.725 25411 10873 1 20 . 1 1 106 106 THR HA H 106 4.320 4.320 4.308 0.012 25411 10874 1 20 . 1 1 106 106 THR CA C 106 61.346 61.346 64.434 -3.088 25411 10875 1 20 . 1 1 106 106 THR CB C 106 69.293 69.293 69.339 -0.046 25411 10876 1 20 . 1 1 107 107 GLU N N 107 122.706 122.706 120.231 2.475 25411 10877 1 20 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.229 -0.047 25411 10878 1 20 . 1 1 107 107 GLU CA C 107 56.576 56.576 57.907 -1.331 25411 10879 1 20 . 1 1 107 107 GLU CB C 107 29.936 29.936 31.069 -1.133 25411 10880 1 20 . 1 1 107 107 GLU H H 107 8.404 8.404 7.596 0.808 25411 10881 1 20 . 1 1 108 108 GLU N N 108 122.034 122.034 114.972 7.062 25411 10882 1 20 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.147 0.014 25411 10883 1 20 . 1 1 108 108 GLU CA C 108 56.649 56.649 56.846 -0.197 25411 10884 1 20 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.585 0.091 25411 10885 1 20 . 1 1 108 108 GLU H H 108 7.341 7.341 7.551 -0.209 25411 10886 1 20 . 1 1 109 109 ILE N N 109 122.151 122.151 115.565 6.586 25411 10887 1 20 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.317 -0.270 25411 10888 1 20 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.484 -0.919 25411 10889 1 20 . 1 1 109 109 ILE CB C 109 38.104 38.104 37.843 0.261 25411 10890 1 20 . 1 1 109 109 ILE H H 109 8.058 8.058 8.789 -0.731 25411 10891 1 20 . 1 1 110 110 LEU N N 110 122.427 122.427 120.011 2.416 25411 10892 1 20 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.240 0.036 25411 10893 1 20 . 1 1 110 110 LEU CA C 110 55.151 55.151 55.924 -0.773 25411 10894 1 20 . 1 1 110 110 LEU CB C 110 32.255 32.255 41.724 -9.469 25411 10895 1 20 . 1 1 110 110 LEU H H 110 8.194 8.194 8.165 0.029 25411 10896 1 20 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.182 0.065 25411 10897 1 20 . 1 1 111 111 LYS CA C 111 56.137 56.137 56.822 -0.685 25411 10898 1 20 . 1 1 111 111 LYS CB C 111 32.569 32.569 31.492 1.077 25411 10899 1 20 . 1 1 112 112 SER N N 112 116.453 116.453 112.402 4.051 25411 10900 1 20 . 1 1 112 112 SER HA H 112 4.175 4.175 4.051 0.124 25411 10901 1 20 . 1 1 112 112 SER CA C 112 58.311 58.311 59.227 -0.916 25411 10902 1 20 . 1 1 112 112 SER CB C 112 63.441 63.441 62.286 1.155 25411 10903 1 20 . 1 1 112 112 SER H H 112 8.204 8.204 8.042 0.162 25411 10904 1 20 . 1 1 113 113 ASN N N 113 119.747 119.747 114.943 4.804 25411 10905 1 20 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.399 0.245 25411 10906 1 20 . 1 1 113 113 ASN CA C 113 53.645 53.645 54.887 -1.242 25411 10907 1 20 . 1 1 113 113 ASN CB C 113 38.646 38.646 38.083 0.563 25411 10908 1 20 . 1 1 113 113 ASN H H 113 7.944 7.944 8.643 -0.699 25411 10909 1 20 . 1 1 114 114 SER N N 114 115.433 115.433 109.362 6.071 25411 10910 1 20 . 1 1 114 114 SER HA H 114 4.336 4.336 4.579 -0.243 25411 10911 1 20 . 1 1 114 114 SER CA C 114 58.711 58.711 59.066 -0.355 25411 10912 1 20 . 1 1 114 114 SER CB C 114 63.308 63.308 65.464 -2.156 25411 10913 1 20 . 1 1 114 114 SER H H 114 7.962 7.962 7.754 0.208 25411 10914 1 20 . 1 1 115 115 GLN N N 115 121.682 121.682 120.842 0.840 25411 10915 1 20 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.659 -0.385 25411 10916 1 20 . 1 1 115 115 GLN CA C 115 56.193 56.193 54.745 1.448 25411 10917 1 20 . 1 1 115 115 GLN CB C 115 28.807 28.807 31.748 -2.941 25411 10918 1 20 . 1 1 115 115 GLN H H 115 8.207 8.207 8.107 0.100 25411 10919 1 20 . 1 1 116 116 THR N N 116 114.715 114.715 109.527 5.188 25411 10920 1 20 . 1 1 116 116 THR HA H 116 4.225 4.225 4.569 -0.344 25411 10921 1 20 . 1 1 116 116 THR CA C 116 62.109 62.109 59.372 2.737 25411 10922 1 20 . 1 1 116 116 THR CB C 116 69.336 69.336 71.401 -2.065 25411 10923 1 20 . 1 1 116 116 THR H H 116 8.062 8.062 7.872 0.190 25411 10924 1 20 . 1 1 117 117 ASP N N 117 122.602 122.602 122.730 -0.128 25411 10925 1 20 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.060 0.508 25411 10926 1 20 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.511 -2.307 25411 10927 1 20 . 1 1 117 117 ASP CB C 117 40.665 40.665 39.605 1.060 25411 10928 1 20 . 1 1 117 117 ASP H H 117 8.065 8.065 8.869 -0.804 25411 10929 1 20 . 1 1 118 118 LEU N N 118 122.140 122.140 119.317 2.823 25411 10930 1 20 . 1 1 118 118 LEU HA H 118 4.155 4.155 3.958 0.197 25411 10931 1 20 . 1 1 118 118 LEU CA C 118 55.423 55.423 55.672 -0.249 25411 10932 1 20 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.787 0.086 25411 10933 1 20 . 1 1 118 118 LEU H H 118 8.085 8.085 7.799 0.286 25411 10934 1 20 . 1 1 119 119 GLU N N 119 119.672 119.672 115.089 4.583 25411 10935 1 20 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.567 0.501 25411 10936 1 20 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.494 -0.929 25411 10937 1 20 . 1 1 119 119 GLU CB C 119 29.572 29.572 28.357 1.215 25411 10938 1 20 . 1 1 119 119 GLU H H 119 8.143 8.143 7.582 0.561 25411 10939 1 20 . 1 1 120 120 HIS N N 120 118.301 118.301 119.762 -1.461 25411 10940 1 20 . 1 1 120 120 HIS CA C 120 55.883 55.883 54.866 1.017 25411 10941 1 20 . 1 1 120 120 HIS CB C 120 29.270 29.270 28.722 0.548 25411 10942 1 20 . 1 1 120 120 HIS H H 120 8.107 8.107 7.135 0.972 25411 10943 1 20 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.597 -0.589 25411 10944 1 20 . 1 1 121 121 HIS CA C 121 55.166 55.166 56.743 -1.577 25411 10945 1 20 . 1 1 121 121 HIS CB C 121 28.759 28.759 28.325 0.434 25411 10946 1 20 . 1 1 122 122 HIS N N 122 122.407 122.407 123.399 -0.992 25411 10947 1 20 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.712 -0.494 25411 10948 1 20 . 1 1 122 122 HIS CA C 122 56.081 56.081 53.759 2.322 25411 10949 1 20 . 1 1 122 122 HIS CB C 122 29.371 29.371 33.088 -3.717 25411 10950 1 20 . 1 1 122 122 HIS H H 122 8.489 8.489 8.481 0.008 25411 10951 1 20 . 1 1 123 123 HIS N N 123 122.868 122.868 120.596 2.272 25411 10952 1 20 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.438 -0.051 25411 10953 1 20 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.704 -0.394 25411 10954 1 20 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.214 0.288 25411 10955 1 20 . 1 1 123 123 HIS H H 123 8.596 8.596 8.646 -0.050 25411 10956 1 20 . 1 1 124 124 HIS N N 124 123.734 123.734 125.268 -1.534 25411 10957 1 20 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.830 -0.273 25411 10958 1 20 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.577 0.808 25411 10959 1 20 . 1 1 124 124 HIS CB C 124 29.358 29.358 27.842 1.516 25411 10960 1 20 . 1 1 124 124 HIS H H 124 8.255 8.255 8.291 -0.036 25411 10961 1 21 . 1 1 3 3 GLN N N 3 122.360 122.360 120.820 1.540 25411 10962 1 21 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.325 -0.437 25411 10963 1 21 . 1 1 3 3 GLN CA C 3 58.742 58.742 57.356 1.386 25411 10964 1 21 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.876 -0.493 25411 10965 1 21 . 1 1 3 3 GLN H H 3 9.398 9.398 8.558 0.840 25411 10966 1 21 . 1 1 4 4 GLU N N 4 119.689 119.689 119.409 0.280 25411 10967 1 21 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.236 0.438 25411 10968 1 21 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.437 0.370 25411 10969 1 21 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.204 0.496 25411 10970 1 21 . 1 1 4 4 GLU H H 4 7.464 7.464 8.862 -1.398 25411 10971 1 21 . 1 1 5 5 LEU N N 5 114.872 114.872 122.856 -7.984 25411 10972 1 21 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.052 -0.351 25411 10973 1 21 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.447 -0.709 25411 10974 1 21 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.941 -1.125 25411 10975 1 21 . 1 1 5 5 LEU H H 5 8.206 8.206 7.584 0.622 25411 10976 1 21 . 1 1 6 6 SER N N 6 109.762 109.762 113.457 -3.695 25411 10977 1 21 . 1 1 6 6 SER HA H 6 4.092 4.092 4.145 -0.053 25411 10978 1 21 . 1 1 6 6 SER CA C 6 60.415 60.415 61.640 -1.225 25411 10979 1 21 . 1 1 6 6 SER CB C 6 63.391 63.391 62.617 0.774 25411 10980 1 21 . 1 1 6 6 SER H H 6 8.253 8.253 8.243 0.010 25411 10981 1 21 . 1 1 7 7 GLN N N 7 117.498 117.498 122.650 -5.152 25411 10982 1 21 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.171 -0.216 25411 10983 1 21 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.827 -0.402 25411 10984 1 21 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.724 0.015 25411 10985 1 21 . 1 1 7 7 GLN H H 7 8.673 8.673 7.614 1.059 25411 10986 1 21 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.444 -0.647 25411 10987 1 21 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.464 -0.409 25411 10988 1 21 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.181 -1.072 25411 10989 1 21 . 1 1 9 9 GLU N N 9 120.354 120.354 119.978 0.376 25411 10990 1 21 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.121 -0.162 25411 10991 1 21 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.737 0.520 25411 10992 1 21 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.669 -0.442 25411 10993 1 21 . 1 1 9 9 GLU H H 9 7.690 7.690 8.582 -0.892 25411 10994 1 21 . 1 1 10 10 ARG N N 10 118.753 118.753 119.813 -1.060 25411 10995 1 21 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.106 -0.007 25411 10996 1 21 . 1 1 10 10 ARG CA C 10 58.221 58.221 58.760 -0.539 25411 10997 1 21 . 1 1 10 10 ARG CB C 10 29.095 29.095 29.999 -0.904 25411 10998 1 21 . 1 1 10 10 ARG H H 10 8.928 8.928 8.121 0.807 25411 10999 1 21 . 1 1 11 11 TYR N N 11 121.288 121.288 119.871 1.417 25411 11000 1 21 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.290 -0.101 25411 11001 1 21 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.568 -1.332 25411 11002 1 21 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.560 -0.699 25411 11003 1 21 . 1 1 11 11 TYR H H 11 7.562 7.562 8.566 -1.004 25411 11004 1 21 . 1 1 12 12 VAL N N 12 119.304 119.304 119.601 -0.297 25411 11005 1 21 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.776 -0.693 25411 11006 1 21 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.690 0.145 25411 11007 1 21 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.788 -0.689 25411 11008 1 21 . 1 1 12 12 VAL H H 12 8.075 8.075 8.012 0.063 25411 11009 1 21 . 1 1 13 13 GLU N N 13 119.685 119.685 119.432 0.253 25411 11010 1 21 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.077 0.078 25411 11011 1 21 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.243 0.182 25411 11012 1 21 . 1 1 13 13 GLU CB C 13 29.188 29.188 28.912 0.276 25411 11013 1 21 . 1 1 13 13 GLU H H 13 8.278 8.278 7.885 0.393 25411 11014 1 21 . 1 1 14 14 GLN N N 14 119.682 119.682 120.153 -0.471 25411 11015 1 21 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.093 -0.437 25411 11016 1 21 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.632 1.337 25411 11017 1 21 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.238 1.435 25411 11018 1 21 . 1 1 14 14 GLN H H 14 7.653 7.653 8.216 -0.563 25411 11019 1 21 . 1 1 15 15 LEU N N 15 121.000 121.000 119.575 1.425 25411 11020 1 21 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.073 -0.152 25411 11021 1 21 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.973 0.482 25411 11022 1 21 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.215 -0.455 25411 11023 1 21 . 1 1 15 15 LEU H H 15 8.402 8.402 8.785 -0.383 25411 11024 1 21 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.923 -0.227 25411 11025 1 21 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.362 -0.104 25411 11026 1 21 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.334 -0.199 25411 11027 1 21 . 1 1 17 17 GLN N N 17 117.558 117.558 118.558 -1.000 25411 11028 1 21 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.097 -0.210 25411 11029 1 21 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.743 -0.301 25411 11030 1 21 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.771 -0.726 25411 11031 1 21 . 1 1 17 17 GLN H H 17 7.849 7.849 7.799 0.050 25411 11032 1 21 . 1 1 18 18 ALA N N 18 120.288 120.288 123.221 -2.933 25411 11033 1 21 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.188 -0.400 25411 11034 1 21 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.939 -0.046 25411 11035 1 21 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.668 -1.272 25411 11036 1 21 . 1 1 18 18 ALA H H 18 8.504 8.504 8.418 0.086 25411 11037 1 21 . 1 1 19 19 LEU N N 19 116.974 116.974 118.097 -1.123 25411 11038 1 21 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.073 -0.314 25411 11039 1 21 . 1 1 19 19 LEU CA C 19 57.552 57.552 57.056 0.495 25411 11040 1 21 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.795 -1.102 25411 11041 1 21 . 1 1 19 19 LEU H H 19 8.143 8.143 8.453 -0.310 25411 11042 1 21 . 1 1 20 20 LYS N N 20 117.776 117.776 121.182 -3.406 25411 11043 1 21 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.080 -0.125 25411 11044 1 21 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.785 -0.241 25411 11045 1 21 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.522 -2.036 25411 11046 1 21 . 1 1 20 20 LYS H H 20 8.340 8.340 8.066 0.274 25411 11047 1 21 . 1 1 21 21 THR N N 21 116.373 116.373 111.707 4.666 25411 11048 1 21 . 1 1 21 21 THR HA H 21 4.107 4.107 4.178 -0.071 25411 11049 1 21 . 1 1 21 21 THR CA C 21 64.611 64.611 64.672 -0.061 25411 11050 1 21 . 1 1 21 21 THR CB C 21 68.811 68.811 68.613 0.198 25411 11051 1 21 . 1 1 21 21 THR H H 21 7.302 7.302 7.850 -0.548 25411 11052 1 21 . 1 1 22 22 ARG N N 22 118.647 118.647 120.143 -1.496 25411 11053 1 21 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.476 -0.114 25411 11054 1 21 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.323 -1.258 25411 11055 1 21 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.324 -1.796 25411 11056 1 21 . 1 1 22 22 ARG H H 22 7.290 7.290 7.658 -0.368 25411 11057 1 21 . 1 1 23 23 GLY N N 23 108.637 108.637 107.786 0.851 25411 11058 1 21 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.534 0.578 25411 11059 1 21 . 1 1 23 23 GLY H H 23 7.881 7.881 7.774 0.107 25411 11060 1 21 . 1 1 24 24 VAL N N 24 117.390 117.390 124.093 -6.703 25411 11061 1 21 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.822 0.192 25411 11062 1 21 . 1 1 24 24 VAL CA C 24 61.668 61.668 62.892 -1.224 25411 11063 1 21 . 1 1 24 24 VAL CB C 24 32.372 32.372 29.181 3.191 25411 11064 1 21 . 1 1 24 24 VAL H H 24 7.333 7.333 7.524 -0.191 25411 11065 1 21 . 1 1 25 25 LYS N N 25 127.322 127.322 120.534 6.788 25411 11066 1 21 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.924 0.408 25411 11067 1 21 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.579 -1.817 25411 11068 1 21 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.524 0.237 25411 11069 1 21 . 1 1 25 25 LYS H H 25 8.722 8.722 8.360 0.362 25411 11070 1 21 . 1 1 26 26 VAL N N 26 120.568 120.568 119.749 0.819 25411 11071 1 21 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.214 -0.136 25411 11072 1 21 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.646 -0.981 25411 11073 1 21 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.866 -0.219 25411 11074 1 21 . 1 1 26 26 VAL H H 26 7.119 7.119 8.239 -1.120 25411 11075 1 21 . 1 1 27 27 LYS N N 27 125.675 125.675 126.955 -1.280 25411 11076 1 21 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.347 -0.021 25411 11077 1 21 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.154 0.257 25411 11078 1 21 . 1 1 27 27 LYS CB C 27 31.959 31.959 35.108 -3.150 25411 11079 1 21 . 1 1 27 27 LYS H H 27 8.570 8.570 8.045 0.525 25411 11080 1 21 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.476 -0.459 25411 11081 1 21 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.848 -2.436 25411 11082 1 21 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.725 2.115 25411 11083 1 21 . 1 1 29 29 ALA N N 29 120.743 120.743 128.615 -7.872 25411 11084 1 21 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.138 -0.470 25411 11085 1 21 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.103 -0.425 25411 11086 1 21 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.182 -1.182 25411 11087 1 21 . 1 1 29 29 ALA H H 29 8.323 8.323 8.796 -0.473 25411 11088 1 21 . 1 1 30 30 ASP N N 30 117.202 117.202 117.976 -0.774 25411 11089 1 21 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.423 -0.142 25411 11090 1 21 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.111 0.442 25411 11091 1 21 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.978 -0.171 25411 11092 1 21 . 1 1 30 30 ASP H H 30 6.872 6.872 8.714 -1.842 25411 11093 1 21 . 1 1 31 31 LEU N N 31 122.273 122.273 118.448 3.825 25411 11094 1 21 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.320 -0.774 25411 11095 1 21 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.523 0.202 25411 11096 1 21 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.190 -1.532 25411 11097 1 21 . 1 1 31 31 LEU H H 31 7.433 7.433 7.646 -0.213 25411 11098 1 21 . 1 1 32 32 LEU N N 32 123.376 123.376 120.155 3.221 25411 11099 1 21 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.191 -0.576 25411 11100 1 21 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.234 -0.138 25411 11101 1 21 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.954 -1.412 25411 11102 1 21 . 1 1 32 32 LEU H H 32 8.727 8.727 7.837 0.890 25411 11103 1 21 . 1 1 33 33 LYS N N 33 118.078 118.078 119.603 -1.525 25411 11104 1 21 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.166 0.047 25411 11105 1 21 . 1 1 33 33 LYS CA C 33 59.098 59.098 58.990 0.108 25411 11106 1 21 . 1 1 33 33 LYS CB C 33 31.890 31.890 31.724 0.166 25411 11107 1 21 . 1 1 33 33 LYS H H 33 7.149 7.149 7.467 -0.318 25411 11108 1 21 . 1 1 34 34 PHE N N 34 117.398 117.398 121.332 -3.934 25411 11109 1 21 . 1 1 34 34 PHE CA C 34 56.695 56.695 62.106 -5.411 25411 11110 1 21 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.301 1.918 25411 11111 1 21 . 1 1 34 34 PHE H H 34 7.633 7.633 8.560 -0.927 25411 11112 1 21 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.037 -0.244 25411 11113 1 21 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.916 -0.324 25411 11114 1 21 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.141 -2.127 25411 11115 1 21 . 1 1 36 36 ASP N N 36 120.136 120.136 120.083 0.053 25411 11116 1 21 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.300 -0.204 25411 11117 1 21 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.641 -0.700 25411 11118 1 21 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.191 -1.087 25411 11119 1 21 . 1 1 36 36 ASP H H 36 8.330 8.330 8.520 -0.190 25411 11120 1 21 . 1 1 37 37 PHE N N 37 121.883 121.883 119.458 2.425 25411 11121 1 21 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.429 -0.171 25411 11122 1 21 . 1 1 37 37 PHE CA C 37 59.698 59.698 60.824 -1.126 25411 11123 1 21 . 1 1 37 37 PHE CB C 37 40.185 40.185 38.778 1.407 25411 11124 1 21 . 1 1 37 37 PHE H H 37 7.794 7.794 8.378 -0.584 25411 11125 1 21 . 1 1 38 38 VAL N N 38 118.525 118.525 118.522 0.003 25411 11126 1 21 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.572 -0.533 25411 11127 1 21 . 1 1 38 38 VAL CA C 38 66.882 66.882 65.947 0.936 25411 11128 1 21 . 1 1 38 38 VAL CB C 38 30.688 30.688 30.828 -0.140 25411 11129 1 21 . 1 1 38 38 VAL H H 38 8.262 8.262 8.202 0.060 25411 11130 1 21 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.920 -0.464 25411 11131 1 21 . 1 1 39 39 LYS CA C 39 59.054 59.054 58.963 0.091 25411 11132 1 21 . 1 1 39 39 LYS CB C 39 31.696 31.696 32.030 -0.334 25411 11133 1 21 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.434 0.011 25411 11134 1 21 . 1 1 40 40 ASP CA C 40 56.985 56.985 55.881 1.104 25411 11135 1 21 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.462 -0.770 25411 11136 1 21 . 1 1 41 41 ILE N N 41 120.641 120.641 119.043 1.598 25411 11137 1 21 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.219 -0.194 25411 11138 1 21 . 1 1 41 41 ILE CA C 41 61.652 61.652 65.122 -3.470 25411 11139 1 21 . 1 1 41 41 ILE CB C 41 38.064 38.064 39.330 -1.266 25411 11140 1 21 . 1 1 41 41 ILE H H 41 8.788 8.788 8.174 0.614 25411 11141 1 21 . 1 1 42 42 CYS N N 42 117.896 117.896 116.416 1.480 25411 11142 1 21 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.869 0.303 25411 11143 1 21 . 1 1 42 42 CYS CB C 42 28.324 28.324 29.651 -1.327 25411 11144 1 21 . 1 1 42 42 CYS H H 42 7.180 7.180 7.670 -0.490 25411 11145 1 21 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.119 0.196 25411 11146 1 21 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.533 0.470 25411 11147 1 21 . 1 1 43 43 PRO CB C 43 30.715 30.715 30.997 -0.282 25411 11148 1 21 . 1 1 44 44 TRP N N 44 113.823 113.823 115.986 -2.163 25411 11149 1 21 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.234 0.071 25411 11150 1 21 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.819 -2.421 25411 11151 1 21 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.029 -1.218 25411 11152 1 21 . 1 1 44 44 TRP H H 44 6.591 6.591 7.800 -1.209 25411 11153 1 21 . 1 1 45 45 PHE N N 45 123.100 123.100 115.886 7.214 25411 11154 1 21 . 1 1 45 45 PHE HA H 45 4.001 4.001 4.995 -0.994 25411 11155 1 21 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.694 8.115 25411 11156 1 21 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.048 -3.114 25411 11157 1 21 . 1 1 45 45 PHE H H 45 7.239 7.239 7.737 -0.498 25411 11158 1 21 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.176 -0.164 25411 11159 1 21 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.842 -0.311 25411 11160 1 21 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.766 -1.279 25411 11161 1 21 . 1 1 47 47 GLN N N 47 114.502 114.502 116.353 -1.851 25411 11162 1 21 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.136 -0.199 25411 11163 1 21 . 1 1 47 47 GLN CA C 47 58.404 58.404 57.992 0.412 25411 11164 1 21 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.601 0.719 25411 11165 1 21 . 1 1 47 47 GLN H H 47 6.518 6.518 8.571 -2.053 25411 11166 1 21 . 1 1 48 48 GLU N N 48 117.358 117.358 119.154 -1.796 25411 11167 1 21 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.120 -0.082 25411 11168 1 21 . 1 1 48 48 GLU CA C 48 58.172 58.172 57.188 0.985 25411 11169 1 21 . 1 1 48 48 GLU CB C 48 28.954 28.954 29.988 -1.034 25411 11170 1 21 . 1 1 48 48 GLU H H 48 7.318 7.318 7.873 -0.555 25411 11171 1 21 . 1 1 49 49 GLY N N 49 105.534 105.534 108.575 -3.041 25411 11172 1 21 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.796 1.507 25411 11173 1 21 . 1 1 49 49 GLY H H 49 7.296 7.296 7.716 -0.420 25411 11174 1 21 . 1 1 50 50 THR N N 50 114.069 114.069 112.658 1.411 25411 11175 1 21 . 1 1 50 50 THR HA H 50 4.234 4.234 4.298 -0.064 25411 11176 1 21 . 1 1 50 50 THR CA C 50 61.683 61.683 60.672 1.011 25411 11177 1 21 . 1 1 50 50 THR CB C 50 70.718 70.718 70.574 0.144 25411 11178 1 21 . 1 1 50 50 THR H H 50 7.597 7.597 7.713 -0.116 25411 11179 1 21 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.160 -0.035 25411 11180 1 21 . 1 1 51 51 ILE CA C 51 59.870 59.870 60.770 -0.901 25411 11181 1 21 . 1 1 51 51 ILE CB C 51 35.288 35.288 38.793 -3.505 25411 11182 1 21 . 1 1 52 52 ASP N N 52 121.791 121.791 126.665 -4.874 25411 11183 1 21 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.916 -0.293 25411 11184 1 21 . 1 1 52 52 ASP CA C 52 51.732 51.732 53.010 -1.278 25411 11185 1 21 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.337 -1.876 25411 11186 1 21 . 1 1 52 52 ASP H H 52 7.168 7.168 8.339 -1.171 25411 11187 1 21 . 1 1 53 53 ILE N N 53 119.537 119.537 119.525 0.012 25411 11188 1 21 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.432 -0.297 25411 11189 1 21 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.451 -0.655 25411 11190 1 21 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.143 -1.328 25411 11191 1 21 . 1 1 53 53 ILE H H 53 8.336 8.336 8.478 -0.142 25411 11192 1 21 . 1 1 54 54 LYS N N 54 123.592 123.592 121.872 1.720 25411 11193 1 21 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.127 -0.022 25411 11194 1 21 . 1 1 54 54 LYS CA C 54 59.972 59.972 59.979 -0.007 25411 11195 1 21 . 1 1 54 54 LYS CB C 54 31.748 31.748 31.855 -0.107 25411 11196 1 21 . 1 1 54 54 LYS H H 54 8.104 8.104 8.490 -0.386 25411 11197 1 21 . 1 1 55 55 ARG N N 55 120.511 120.511 119.978 0.533 25411 11198 1 21 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.174 0.127 25411 11199 1 21 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.612 0.291 25411 11200 1 21 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.043 0.013 25411 11201 1 21 . 1 1 55 55 ARG H H 55 9.196 9.196 8.389 0.807 25411 11202 1 21 . 1 1 56 56 TRP N N 56 120.681 120.681 121.150 -0.469 25411 11203 1 21 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.665 0.038 25411 11204 1 21 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.594 -1.188 25411 11205 1 21 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.241 0.773 25411 11206 1 21 . 1 1 56 56 TRP H H 56 8.899 8.899 8.255 0.644 25411 11207 1 21 . 1 1 57 57 ARG N N 57 122.115 122.115 118.941 3.174 25411 11208 1 21 . 1 1 57 57 ARG HA H 57 4.407 4.407 4.105 0.302 25411 11209 1 21 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.606 0.421 25411 11210 1 21 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.977 -0.192 25411 11211 1 21 . 1 1 57 57 ARG H H 57 9.210 9.210 8.623 0.587 25411 11212 1 21 . 1 1 58 58 ARG N N 58 120.918 120.918 119.675 1.243 25411 11213 1 21 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.502 0.343 25411 11214 1 21 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.156 -0.427 25411 11215 1 21 . 1 1 58 58 ARG H H 58 7.640 7.640 7.776 -0.136 25411 11216 1 21 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.837 -0.073 25411 11217 1 21 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.411 0.589 25411 11218 1 21 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.053 -0.221 25411 11219 1 21 . 1 1 59 59 VAL H H 59 7.916 7.916 7.791 0.125 25411 11220 1 21 . 1 1 60 60 GLY N N 60 106.856 106.856 107.643 -0.787 25411 11221 1 21 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.108 -1.027 25411 11222 1 21 . 1 1 60 60 GLY H H 60 7.623 7.623 8.317 -0.694 25411 11223 1 21 . 1 1 61 61 ASP N N 61 123.308 123.308 122.332 0.976 25411 11224 1 21 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.549 -0.324 25411 11225 1 21 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.867 -0.067 25411 11226 1 21 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.684 -1.200 25411 11227 1 21 . 1 1 61 61 ASP H H 61 8.203 8.203 8.032 0.171 25411 11228 1 21 . 1 1 62 62 CYS N N 62 120.841 120.841 118.610 2.231 25411 11229 1 21 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.100 0.138 25411 11230 1 21 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.219 -1.269 25411 11231 1 21 . 1 1 62 62 CYS CB C 62 26.503 26.503 27.072 -0.569 25411 11232 1 21 . 1 1 62 62 CYS H H 62 7.795 7.795 7.692 0.103 25411 11233 1 21 . 1 1 63 63 PHE N N 63 119.763 119.763 120.324 -0.561 25411 11234 1 21 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.229 0.049 25411 11235 1 21 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.650 -2.993 25411 11236 1 21 . 1 1 63 63 PHE CB C 63 36.990 36.990 39.423 -2.433 25411 11237 1 21 . 1 1 63 63 PHE H H 63 8.647 8.647 8.011 0.636 25411 11238 1 21 . 1 1 64 64 GLN N N 64 118.578 118.578 119.279 -0.701 25411 11239 1 21 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.103 0.205 25411 11240 1 21 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.999 0.334 25411 11241 1 21 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.496 0.083 25411 11242 1 21 . 1 1 64 64 GLN H H 64 8.261 8.261 8.463 -0.202 25411 11243 1 21 . 1 1 65 65 ASP N N 65 119.534 119.534 121.628 -2.094 25411 11244 1 21 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.352 0.132 25411 11245 1 21 . 1 1 65 65 ASP CA C 65 57.329 57.329 56.951 0.378 25411 11246 1 21 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.898 -1.227 25411 11247 1 21 . 1 1 65 65 ASP H H 65 8.338 8.338 8.398 -0.060 25411 11248 1 21 . 1 1 66 66 TYR N N 66 123.600 123.600 122.115 1.485 25411 11249 1 21 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.790 0.712 25411 11250 1 21 . 1 1 66 66 TYR CA C 66 61.231 61.231 61.949 -0.718 25411 11251 1 21 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.290 0.143 25411 11252 1 21 . 1 1 66 66 TYR H H 66 7.804 7.804 8.174 -0.370 25411 11253 1 21 . 1 1 67 67 TYR N N 67 122.825 122.825 117.735 5.090 25411 11254 1 21 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.944 0.053 25411 11255 1 21 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.385 0.518 25411 11256 1 21 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.398 0.548 25411 11257 1 21 . 1 1 67 67 TYR H H 67 9.100 9.100 8.118 0.982 25411 11258 1 21 . 1 1 68 68 ASN N N 68 118.826 118.826 117.091 1.735 25411 11259 1 21 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.289 -0.006 25411 11260 1 21 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.977 -0.545 25411 11261 1 21 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.277 -0.401 25411 11262 1 21 . 1 1 68 68 ASN H H 68 8.853 8.853 8.483 0.370 25411 11263 1 21 . 1 1 69 69 THR N N 69 114.242 114.242 115.094 -0.852 25411 11264 1 21 . 1 1 69 69 THR HA H 69 3.837 3.837 3.973 -0.136 25411 11265 1 21 . 1 1 69 69 THR CA C 69 65.328 65.328 65.099 0.229 25411 11266 1 21 . 1 1 69 69 THR CB C 69 69.249 69.249 68.319 0.930 25411 11267 1 21 . 1 1 69 69 THR H H 69 7.847 7.847 7.879 -0.032 25411 11268 1 21 . 1 1 70 70 PHE N N 70 117.970 117.970 118.556 -0.586 25411 11269 1 21 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.353 0.211 25411 11270 1 21 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.672 0.570 25411 11271 1 21 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.258 2.817 25411 11272 1 21 . 1 1 70 70 PHE H H 70 8.489 8.489 7.093 1.396 25411 11273 1 21 . 1 1 71 71 GLY N N 71 109.516 109.516 108.197 1.319 25411 11274 1 21 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.823 0.209 25411 11275 1 21 . 1 1 71 71 GLY H H 71 7.968 7.968 7.491 0.477 25411 11276 1 21 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.380 0.331 25411 11277 1 21 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.194 1.103 25411 11278 1 21 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.178 0.566 25411 11279 1 21 . 1 1 73 73 GLU N N 73 117.720 117.720 126.250 -8.530 25411 11280 1 21 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.077 -0.178 25411 11281 1 21 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.457 0.279 25411 11282 1 21 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.652 -0.789 25411 11283 1 21 . 1 1 73 73 GLU H H 73 8.586 8.586 8.381 0.205 25411 11284 1 21 . 1 1 74 74 LYS N N 74 116.974 116.974 119.177 -2.203 25411 11285 1 21 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.364 0.025 25411 11286 1 21 . 1 1 74 74 LYS CA C 74 55.185 55.185 54.834 0.351 25411 11287 1 21 . 1 1 74 74 LYS CB C 74 34.087 34.087 30.961 3.126 25411 11288 1 21 . 1 1 74 74 LYS H H 74 7.505 7.505 8.135 -0.630 25411 11289 1 21 . 1 1 75 75 VAL N N 75 117.309 117.309 124.187 -6.878 25411 11290 1 21 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.183 0.130 25411 11291 1 21 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.198 1.847 25411 11292 1 21 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.182 -0.199 25411 11293 1 21 . 1 1 75 75 VAL H H 75 7.402 7.402 7.371 0.031 25411 11294 1 21 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.590 -0.028 25411 11295 1 21 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.744 -1.057 25411 11296 1 21 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.721 -0.990 25411 11297 1 21 . 1 1 77 77 VAL N N 77 120.870 120.870 121.091 -0.221 25411 11298 1 21 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.151 -0.323 25411 11299 1 21 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.212 1.626 25411 11300 1 21 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.038 -0.651 25411 11301 1 21 . 1 1 77 77 VAL H H 77 8.473 8.473 8.823 -0.350 25411 11302 1 21 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.835 0.017 25411 11303 1 21 . 1 1 78 78 ILE CA C 78 61.125 61.125 63.881 -2.756 25411 11304 1 21 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.970 0.165 25411 11305 1 21 . 1 1 78 78 ILE H H 78 8.388 8.388 7.946 0.442 25411 11306 1 21 . 1 1 79 79 ALA N N 79 123.960 123.960 123.753 0.207 25411 11307 1 21 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.060 -0.170 25411 11308 1 21 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.562 0.327 25411 11309 1 21 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.097 -0.474 25411 11310 1 21 . 1 1 79 79 ALA H H 79 7.953 7.953 8.134 -0.181 25411 11311 1 21 . 1 1 80 80 PHE N N 80 114.330 114.330 115.311 -0.981 25411 11312 1 21 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.500 -0.069 25411 11313 1 21 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.953 1.359 25411 11314 1 21 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.283 -1.627 25411 11315 1 21 . 1 1 80 80 PHE H H 80 7.499 7.499 8.148 -0.649 25411 11316 1 21 . 1 1 81 81 SER N N 81 115.971 115.971 114.495 1.476 25411 11317 1 21 . 1 1 81 81 SER HA H 81 4.206 4.206 4.426 -0.220 25411 11318 1 21 . 1 1 81 81 SER CA C 81 58.432 58.432 59.737 -1.305 25411 11319 1 21 . 1 1 81 81 SER CB C 81 63.575 63.575 63.429 0.146 25411 11320 1 21 . 1 1 81 81 SER H H 81 8.225 8.225 7.987 0.238 25411 11321 1 21 . 1 1 82 82 TYR N N 82 121.997 121.997 122.834 -0.837 25411 11322 1 21 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.468 -0.021 25411 11323 1 21 . 1 1 82 82 TYR CA C 82 55.885 55.885 58.145 -2.260 25411 11324 1 21 . 1 1 82 82 TYR CB C 82 37.838 37.838 37.434 0.404 25411 11325 1 21 . 1 1 82 82 TYR H H 82 8.378 8.378 7.372 1.006 25411 11326 1 21 . 1 1 83 83 TRP N N 83 120.268 120.268 121.702 -1.434 25411 11327 1 21 . 1 1 83 83 TRP CA C 83 57.393 57.393 59.441 -2.048 25411 11328 1 21 . 1 1 83 83 TRP CB C 83 28.894 28.894 28.426 0.468 25411 11329 1 21 . 1 1 83 83 TRP H H 83 8.546 8.546 8.884 -0.338 25411 11330 1 21 . 1 1 84 84 ASN HA H 84 4.220 4.220 3.635 0.585 25411 11331 1 21 . 1 1 84 84 ASN CA C 84 56.629 56.629 55.974 0.655 25411 11332 1 21 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.918 1.147 25411 11333 1 21 . 1 1 85 85 LEU HA H 85 4.046 4.046 3.949 0.097 25411 11334 1 21 . 1 1 85 85 LEU CA C 85 58.142 58.142 56.900 1.242 25411 11335 1 21 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.781 -0.089 25411 11336 1 21 . 1 1 86 86 ILE N N 86 117.000 117.000 119.245 -2.245 25411 11337 1 21 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.363 0.083 25411 11338 1 21 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.541 -2.258 25411 11339 1 21 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.934 -1.522 25411 11340 1 21 . 1 1 86 86 ILE H H 86 7.882 7.882 7.768 0.114 25411 11341 1 21 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.938 -0.712 25411 11342 1 21 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.283 0.713 25411 11343 1 21 . 1 1 87 87 LYS CB C 87 31.050 31.050 32.039 -0.989 25411 11344 1 21 . 1 1 88 88 GLU N N 88 116.404 116.404 117.774 -1.370 25411 11345 1 21 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.318 -0.471 25411 11346 1 21 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.178 0.733 25411 11347 1 21 . 1 1 88 88 GLU CB C 88 28.969 28.969 28.730 0.239 25411 11348 1 21 . 1 1 88 88 GLU H H 88 7.689 7.689 7.694 -0.005 25411 11349 1 21 . 1 1 89 89 LEU N N 89 118.193 118.193 121.134 -2.941 25411 11350 1 21 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.168 -0.279 25411 11351 1 21 . 1 1 89 89 LEU CA C 89 57.963 57.963 57.294 0.670 25411 11352 1 21 . 1 1 89 89 LEU CB C 89 41.300 41.300 41.990 -0.690 25411 11353 1 21 . 1 1 89 89 LEU H H 89 7.415 7.415 7.467 -0.052 25411 11354 1 21 . 1 1 90 90 ILE N N 90 115.471 115.471 120.259 -4.788 25411 11355 1 21 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.654 -0.236 25411 11356 1 21 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.026 0.882 25411 11357 1 21 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.544 0.050 25411 11358 1 21 . 1 1 90 90 ILE H H 90 7.718 7.718 7.484 0.234 25411 11359 1 21 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.477 -0.757 25411 11360 1 21 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.936 0.728 25411 11361 1 21 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.026 0.506 25411 11362 1 21 . 1 1 92 92 LYS N N 92 119.253 119.253 118.721 0.532 25411 11363 1 21 . 1 1 92 92 LYS CA C 92 58.897 58.897 56.221 2.676 25411 11364 1 21 . 1 1 92 92 LYS CB C 92 31.988 31.988 31.488 0.500 25411 11365 1 21 . 1 1 92 92 LYS H H 92 7.869 7.869 7.595 0.274 25411 11366 1 21 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.021 0.510 25411 11367 1 21 . 1 1 93 93 LYS CA C 93 55.258 55.258 59.093 -3.835 25411 11368 1 21 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.812 0.357 25411 11369 1 21 . 1 1 94 94 GLU N N 94 116.729 116.729 120.662 -3.933 25411 11370 1 21 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.076 0.057 25411 11371 1 21 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.135 0.184 25411 11372 1 21 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.338 -1.963 25411 11373 1 21 . 1 1 94 94 GLU H H 94 8.393 8.393 7.768 0.625 25411 11374 1 21 . 1 1 95 95 VAL N N 95 121.696 121.696 116.924 4.772 25411 11375 1 21 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.882 0.600 25411 11376 1 21 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.541 3.180 25411 11377 1 21 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.434 1.460 25411 11378 1 21 . 1 1 95 95 VAL H H 95 7.923 7.923 7.753 0.170 25411 11379 1 21 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.690 -0.332 25411 11380 1 21 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.317 0.290 25411 11381 1 21 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.473 -0.599 25411 11382 1 21 . 1 1 98 98 GLN N N 98 117.731 117.731 119.607 -1.876 25411 11383 1 21 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.029 -0.104 25411 11384 1 21 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.578 0.030 25411 11385 1 21 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.868 0.653 25411 11386 1 21 . 1 1 98 98 GLN H H 98 8.359 8.359 8.830 -0.471 25411 11387 1 21 . 1 1 99 99 VAL N N 99 121.326 121.326 117.796 3.530 25411 11388 1 21 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.748 -0.328 25411 11389 1 21 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.585 0.819 25411 11390 1 21 . 1 1 99 99 VAL CB C 99 31.619 31.619 30.993 0.626 25411 11391 1 21 . 1 1 99 99 VAL H H 99 7.901 7.901 8.158 -0.257 25411 11392 1 21 . 1 1 100 100 MET N N 100 120.447 120.447 116.058 4.389 25411 11393 1 21 . 1 1 100 100 MET HA H 100 3.812 3.812 4.354 -0.542 25411 11394 1 21 . 1 1 100 100 MET CA C 100 59.297 59.297 58.152 1.145 25411 11395 1 21 . 1 1 100 100 MET CB C 100 32.099 32.099 33.133 -1.034 25411 11396 1 21 . 1 1 100 100 MET H H 100 7.509 7.509 7.506 0.003 25411 11397 1 21 . 1 1 101 101 ALA N N 101 119.458 119.458 121.496 -2.038 25411 11398 1 21 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.261 -0.051 25411 11399 1 21 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.206 0.545 25411 11400 1 21 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.439 -0.918 25411 11401 1 21 . 1 1 101 101 ALA H H 101 7.889 7.889 7.613 0.276 25411 11402 1 21 . 1 1 102 102 ALA N N 102 119.627 119.627 121.933 -2.306 25411 11403 1 21 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.156 -0.163 25411 11404 1 21 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.736 0.152 25411 11405 1 21 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.413 -1.069 25411 11406 1 21 . 1 1 102 102 ALA H H 102 7.563 7.563 8.411 -0.848 25411 11407 1 21 . 1 1 103 103 VAL N N 103 122.690 122.690 118.382 4.308 25411 11408 1 21 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.927 0.146 25411 11409 1 21 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.895 -4.210 25411 11410 1 21 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.140 2.083 25411 11411 1 21 . 1 1 103 103 VAL H H 103 8.828 8.828 7.492 1.336 25411 11412 1 21 . 1 1 104 104 ALA N N 104 128.041 128.041 118.441 9.600 25411 11413 1 21 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.276 -0.007 25411 11414 1 21 . 1 1 104 104 ALA CA C 104 52.141 52.141 53.755 -1.614 25411 11415 1 21 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.273 0.667 25411 11416 1 21 . 1 1 104 104 ALA H H 104 8.367 8.367 7.455 0.912 25411 11417 1 21 . 1 1 105 105 GLN N N 105 120.265 120.265 115.345 4.920 25411 11418 1 21 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.608 0.323 25411 11419 1 21 . 1 1 105 105 GLN CB C 105 29.020 29.020 30.879 -1.859 25411 11420 1 21 . 1 1 105 105 GLN H H 105 8.356 8.356 7.834 0.522 25411 11421 1 21 . 1 1 106 106 THR HA H 106 4.320 4.320 4.454 -0.134 25411 11422 1 21 . 1 1 106 106 THR CA C 106 61.346 61.346 63.437 -2.091 25411 11423 1 21 . 1 1 106 106 THR CB C 106 69.293 69.293 69.631 -0.338 25411 11424 1 21 . 1 1 107 107 GLU N N 107 122.706 122.706 120.425 2.281 25411 11425 1 21 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.183 -0.001 25411 11426 1 21 . 1 1 107 107 GLU CA C 107 56.576 56.576 58.449 -1.873 25411 11427 1 21 . 1 1 107 107 GLU CB C 107 29.936 29.936 30.755 -0.819 25411 11428 1 21 . 1 1 107 107 GLU H H 107 8.404 8.404 7.627 0.777 25411 11429 1 21 . 1 1 108 108 GLU N N 108 122.034 122.034 115.876 6.158 25411 11430 1 21 . 1 1 108 108 GLU HA H 108 4.161 4.161 3.968 0.193 25411 11431 1 21 . 1 1 108 108 GLU CA C 108 56.649 56.649 56.980 -0.331 25411 11432 1 21 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.512 0.164 25411 11433 1 21 . 1 1 108 108 GLU H H 108 7.341 7.341 8.272 -0.931 25411 11434 1 21 . 1 1 109 109 ILE N N 109 122.151 122.151 116.623 5.528 25411 11435 1 21 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.152 -0.105 25411 11436 1 21 . 1 1 109 109 ILE CA C 109 61.565 61.565 63.414 -1.849 25411 11437 1 21 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.122 -0.018 25411 11438 1 21 . 1 1 109 109 ILE H H 109 8.058 8.058 8.727 -0.669 25411 11439 1 21 . 1 1 110 110 LEU N N 110 122.427 122.427 120.045 2.382 25411 11440 1 21 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.184 0.092 25411 11441 1 21 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.030 -0.879 25411 11442 1 21 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.795 -8.540 25411 11443 1 21 . 1 1 110 110 LEU H H 110 8.194 8.194 8.096 0.098 25411 11444 1 21 . 1 1 111 111 LYS HA H 111 4.247 4.247 3.945 0.302 25411 11445 1 21 . 1 1 111 111 LYS CA C 111 56.137 56.137 58.469 -2.332 25411 11446 1 21 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.114 0.455 25411 11447 1 21 . 1 1 112 112 SER N N 112 116.453 116.453 110.721 5.732 25411 11448 1 21 . 1 1 112 112 SER HA H 112 4.175 4.175 4.033 0.142 25411 11449 1 21 . 1 1 112 112 SER CA C 112 58.311 58.311 60.613 -2.302 25411 11450 1 21 . 1 1 112 112 SER CB C 112 63.441 63.441 62.895 0.546 25411 11451 1 21 . 1 1 112 112 SER H H 112 8.204 8.204 8.177 0.027 25411 11452 1 21 . 1 1 113 113 ASN N N 113 119.747 119.747 115.252 4.495 25411 11453 1 21 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.845 -0.201 25411 11454 1 21 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.253 1.392 25411 11455 1 21 . 1 1 113 113 ASN CB C 113 38.646 38.646 39.314 -0.668 25411 11456 1 21 . 1 1 113 113 ASN H H 113 7.944 7.944 7.469 0.475 25411 11457 1 21 . 1 1 114 114 SER N N 114 115.433 115.433 113.475 1.958 25411 11458 1 21 . 1 1 114 114 SER HA H 114 4.336 4.336 4.360 -0.024 25411 11459 1 21 . 1 1 114 114 SER CA C 114 58.711 58.711 59.692 -0.981 25411 11460 1 21 . 1 1 114 114 SER CB C 114 63.308 63.308 63.311 -0.003 25411 11461 1 21 . 1 1 114 114 SER H H 114 7.962 7.962 8.421 -0.459 25411 11462 1 21 . 1 1 115 115 GLN N N 115 121.682 121.682 120.675 1.007 25411 11463 1 21 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.354 -0.080 25411 11464 1 21 . 1 1 115 115 GLN CA C 115 56.193 56.193 56.076 0.117 25411 11465 1 21 . 1 1 115 115 GLN CB C 115 28.807 28.807 30.108 -1.302 25411 11466 1 21 . 1 1 115 115 GLN H H 115 8.207 8.207 8.503 -0.296 25411 11467 1 21 . 1 1 116 116 THR N N 116 114.715 114.715 105.536 9.179 25411 11468 1 21 . 1 1 116 116 THR HA H 116 4.225 4.225 4.765 -0.540 25411 11469 1 21 . 1 1 116 116 THR CA C 116 62.109 62.109 60.249 1.860 25411 11470 1 21 . 1 1 116 116 THR CB C 116 69.336 69.336 72.440 -3.104 25411 11471 1 21 . 1 1 116 116 THR H H 116 8.062 8.062 7.476 0.586 25411 11472 1 21 . 1 1 117 117 ASP N N 117 122.602 122.602 123.810 -1.208 25411 11473 1 21 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.258 0.310 25411 11474 1 21 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.920 -2.716 25411 11475 1 21 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.741 -0.076 25411 11476 1 21 . 1 1 117 117 ASP H H 117 8.065 8.065 8.780 -0.715 25411 11477 1 21 . 1 1 118 118 LEU N N 118 122.140 122.140 117.117 5.023 25411 11478 1 21 . 1 1 118 118 LEU HA H 118 4.155 4.155 3.743 0.412 25411 11479 1 21 . 1 1 118 118 LEU CA C 118 55.423 55.423 55.429 -0.006 25411 11480 1 21 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.681 0.192 25411 11481 1 21 . 1 1 118 118 LEU H H 118 8.085 8.085 7.956 0.129 25411 11482 1 21 . 1 1 119 119 GLU N N 119 119.672 119.672 115.443 4.229 25411 11483 1 21 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.574 0.494 25411 11484 1 21 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.902 -1.337 25411 11485 1 21 . 1 1 119 119 GLU CB C 119 29.572 29.572 28.146 1.426 25411 11486 1 21 . 1 1 119 119 GLU H H 119 8.143 8.143 7.700 0.443 25411 11487 1 21 . 1 1 120 120 HIS N N 120 118.301 118.301 117.944 0.357 25411 11488 1 21 . 1 1 120 120 HIS CA C 120 55.883 55.883 53.663 2.220 25411 11489 1 21 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.933 -0.663 25411 11490 1 21 . 1 1 120 120 HIS H H 120 8.107 8.107 7.332 0.775 25411 11491 1 21 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.461 -0.453 25411 11492 1 21 . 1 1 121 121 HIS CA C 121 55.166 55.166 56.282 -1.116 25411 11493 1 21 . 1 1 121 121 HIS CB C 121 28.759 28.759 28.257 0.502 25411 11494 1 21 . 1 1 122 122 HIS N N 122 122.407 122.407 121.074 1.333 25411 11495 1 21 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.675 -0.457 25411 11496 1 21 . 1 1 122 122 HIS CA C 122 56.081 56.081 53.291 2.790 25411 11497 1 21 . 1 1 122 122 HIS CB C 122 29.371 29.371 32.894 -3.523 25411 11498 1 21 . 1 1 122 122 HIS H H 122 8.489 8.489 8.314 0.175 25411 11499 1 21 . 1 1 123 123 HIS N N 123 122.868 122.868 120.198 2.670 25411 11500 1 21 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.265 0.122 25411 11501 1 21 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.807 -0.497 25411 11502 1 21 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.262 0.240 25411 11503 1 21 . 1 1 123 123 HIS H H 123 8.596 8.596 8.563 0.033 25411 11504 1 21 . 1 1 124 124 HIS N N 124 123.734 123.734 125.592 -1.858 25411 11505 1 21 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.820 -0.263 25411 11506 1 21 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.311 1.074 25411 11507 1 21 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.095 1.263 25411 11508 1 21 . 1 1 124 124 HIS H H 124 8.255 8.255 7.826 0.429 25411 11509 1 22 . 1 1 3 3 GLN N N 3 122.360 122.360 120.360 2.000 25411 11510 1 22 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.324 -0.436 25411 11511 1 22 . 1 1 3 3 GLN CA C 3 58.742 58.742 57.046 1.696 25411 11512 1 22 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.893 -0.510 25411 11513 1 22 . 1 1 3 3 GLN H H 3 9.398 9.398 8.577 0.821 25411 11514 1 22 . 1 1 4 4 GLU N N 4 119.689 119.689 120.154 -0.465 25411 11515 1 22 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.178 0.496 25411 11516 1 22 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.520 0.287 25411 11517 1 22 . 1 1 4 4 GLU CB C 4 28.700 28.700 29.335 -0.635 25411 11518 1 22 . 1 1 4 4 GLU H H 4 7.464 7.464 8.815 -1.351 25411 11519 1 22 . 1 1 5 5 LEU N N 5 114.872 114.872 121.897 -7.025 25411 11520 1 22 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.182 -0.481 25411 11521 1 22 . 1 1 5 5 LEU CA C 5 57.738 57.738 57.845 -0.107 25411 11522 1 22 . 1 1 5 5 LEU CB C 5 40.815 40.815 42.038 -1.223 25411 11523 1 22 . 1 1 5 5 LEU H H 5 8.206 8.206 7.696 0.510 25411 11524 1 22 . 1 1 6 6 SER N N 6 109.762 109.762 113.472 -3.710 25411 11525 1 22 . 1 1 6 6 SER HA H 6 4.092 4.092 4.095 -0.003 25411 11526 1 22 . 1 1 6 6 SER CA C 6 60.415 60.415 61.738 -1.323 25411 11527 1 22 . 1 1 6 6 SER CB C 6 63.391 63.391 62.597 0.794 25411 11528 1 22 . 1 1 6 6 SER H H 6 8.253 8.253 7.836 0.417 25411 11529 1 22 . 1 1 7 7 GLN N N 7 117.498 117.498 122.290 -4.792 25411 11530 1 22 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.182 -0.227 25411 11531 1 22 . 1 1 7 7 GLN CA C 7 58.425 58.425 57.988 0.437 25411 11532 1 22 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.343 0.397 25411 11533 1 22 . 1 1 7 7 GLN H H 7 8.673 8.673 7.979 0.694 25411 11534 1 22 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.392 -0.595 25411 11535 1 22 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.683 -0.628 25411 11536 1 22 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.116 -1.007 25411 11537 1 22 . 1 1 9 9 GLU N N 9 120.354 120.354 119.770 0.584 25411 11538 1 22 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.302 -0.343 25411 11539 1 22 . 1 1 9 9 GLU CA C 9 60.258 60.258 58.638 1.620 25411 11540 1 22 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.309 -0.082 25411 11541 1 22 . 1 1 9 9 GLU H H 9 7.690 7.690 8.421 -0.731 25411 11542 1 22 . 1 1 10 10 ARG N N 10 118.753 118.753 120.217 -1.464 25411 11543 1 22 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.016 0.083 25411 11544 1 22 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.486 -1.265 25411 11545 1 22 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.125 -1.030 25411 11546 1 22 . 1 1 10 10 ARG H H 10 8.928 8.928 7.768 1.160 25411 11547 1 22 . 1 1 11 11 TYR N N 11 121.288 121.288 119.900 1.388 25411 11548 1 22 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.269 -0.080 25411 11549 1 22 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.084 -0.848 25411 11550 1 22 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.082 -0.221 25411 11551 1 22 . 1 1 11 11 TYR H H 11 7.562 7.562 8.495 -0.933 25411 11552 1 22 . 1 1 12 12 VAL N N 12 119.304 119.304 119.623 -0.319 25411 11553 1 22 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.773 -0.690 25411 11554 1 22 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.086 0.749 25411 11555 1 22 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.311 -0.211 25411 11556 1 22 . 1 1 12 12 VAL H H 12 8.075 8.075 7.450 0.625 25411 11557 1 22 . 1 1 13 13 GLU N N 13 119.685 119.685 120.417 -0.732 25411 11558 1 22 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.063 0.092 25411 11559 1 22 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.511 -0.086 25411 11560 1 22 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.182 0.006 25411 11561 1 22 . 1 1 13 13 GLU H H 13 8.278 8.278 7.886 0.392 25411 11562 1 22 . 1 1 14 14 GLN N N 14 119.682 119.682 120.339 -0.657 25411 11563 1 22 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.079 -0.423 25411 11564 1 22 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.656 1.313 25411 11565 1 22 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.235 1.438 25411 11566 1 22 . 1 1 14 14 GLN H H 14 7.653 7.653 8.083 -0.430 25411 11567 1 22 . 1 1 15 15 LEU N N 15 121.000 121.000 119.544 1.456 25411 11568 1 22 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.040 -0.119 25411 11569 1 22 . 1 1 15 15 LEU CA C 15 58.455 58.455 58.030 0.425 25411 11570 1 22 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.398 -0.638 25411 11571 1 22 . 1 1 15 15 LEU H H 15 8.402 8.402 8.598 -0.196 25411 11572 1 22 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.888 -0.192 25411 11573 1 22 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.344 -0.086 25411 11574 1 22 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.309 -0.174 25411 11575 1 22 . 1 1 17 17 GLN N N 17 117.558 117.558 118.267 -0.709 25411 11576 1 22 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.036 -0.149 25411 11577 1 22 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.968 -0.526 25411 11578 1 22 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.698 -0.652 25411 11579 1 22 . 1 1 17 17 GLN H H 17 7.849 7.849 8.077 -0.228 25411 11580 1 22 . 1 1 18 18 ALA N N 18 120.288 120.288 123.194 -2.906 25411 11581 1 22 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.180 -0.392 25411 11582 1 22 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.919 -0.026 25411 11583 1 22 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.656 -1.260 25411 11584 1 22 . 1 1 18 18 ALA H H 18 8.504 8.504 8.396 0.108 25411 11585 1 22 . 1 1 19 19 LEU N N 19 116.974 116.974 118.334 -1.360 25411 11586 1 22 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.024 -0.265 25411 11587 1 22 . 1 1 19 19 LEU CA C 19 57.552 57.552 57.065 0.487 25411 11588 1 22 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.840 -1.147 25411 11589 1 22 . 1 1 19 19 LEU H H 19 8.143 8.143 8.450 -0.307 25411 11590 1 22 . 1 1 20 20 LYS N N 20 117.776 117.776 120.642 -2.866 25411 11591 1 22 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.084 -0.129 25411 11592 1 22 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.774 -0.230 25411 11593 1 22 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.550 -2.064 25411 11594 1 22 . 1 1 20 20 LYS H H 20 8.340 8.340 8.156 0.184 25411 11595 1 22 . 1 1 21 21 THR N N 21 116.373 116.373 111.107 5.266 25411 11596 1 22 . 1 1 21 21 THR HA H 21 4.107 4.107 4.204 -0.097 25411 11597 1 22 . 1 1 21 21 THR CA C 21 64.611 64.611 64.297 0.314 25411 11598 1 22 . 1 1 21 21 THR CB C 21 68.811 68.811 68.571 0.240 25411 11599 1 22 . 1 1 21 21 THR H H 21 7.302 7.302 7.956 -0.654 25411 11600 1 22 . 1 1 22 22 ARG N N 22 118.647 118.647 120.031 -1.384 25411 11601 1 22 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.451 -0.089 25411 11602 1 22 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.703 -1.638 25411 11603 1 22 . 1 1 22 22 ARG CB C 22 29.528 29.528 30.908 -1.380 25411 11604 1 22 . 1 1 22 22 ARG H H 22 7.290 7.290 7.593 -0.303 25411 11605 1 22 . 1 1 23 23 GLY N N 23 108.637 108.637 108.832 -0.195 25411 11606 1 22 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.463 0.649 25411 11607 1 22 . 1 1 23 23 GLY H H 23 7.881 7.881 7.672 0.209 25411 11608 1 22 . 1 1 24 24 VAL N N 24 117.390 117.390 118.178 -0.788 25411 11609 1 22 . 1 1 24 24 VAL HA H 24 4.014 4.014 4.276 -0.262 25411 11610 1 22 . 1 1 24 24 VAL CA C 24 61.668 61.668 61.515 0.153 25411 11611 1 22 . 1 1 24 24 VAL CB C 24 32.372 32.372 31.135 1.237 25411 11612 1 22 . 1 1 24 24 VAL H H 24 7.333 7.333 7.692 -0.359 25411 11613 1 22 . 1 1 25 25 LYS N N 25 127.322 127.322 118.391 8.931 25411 11614 1 22 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.970 0.362 25411 11615 1 22 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.367 -1.605 25411 11616 1 22 . 1 1 25 25 LYS CB C 25 31.761 31.761 32.013 -0.252 25411 11617 1 22 . 1 1 25 25 LYS H H 25 8.722 8.722 7.735 0.987 25411 11618 1 22 . 1 1 26 26 VAL N N 26 120.568 120.568 119.587 0.981 25411 11619 1 22 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.169 -0.091 25411 11620 1 22 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.459 -0.794 25411 11621 1 22 . 1 1 26 26 VAL CB C 26 33.647 33.647 34.134 -0.487 25411 11622 1 22 . 1 1 26 26 VAL H H 26 7.119 7.119 8.018 -0.899 25411 11623 1 22 . 1 1 27 27 LYS N N 27 125.675 125.675 126.536 -0.861 25411 11624 1 22 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.392 -0.066 25411 11625 1 22 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.528 -0.117 25411 11626 1 22 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.963 -3.004 25411 11627 1 22 . 1 1 27 27 LYS H H 27 8.570 8.570 8.126 0.444 25411 11628 1 22 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.468 -0.451 25411 11629 1 22 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.839 -2.427 25411 11630 1 22 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.773 2.067 25411 11631 1 22 . 1 1 29 29 ALA N N 29 120.743 120.743 127.438 -6.695 25411 11632 1 22 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.253 -0.585 25411 11633 1 22 . 1 1 29 29 ALA CA C 29 54.678 54.678 54.746 -0.068 25411 11634 1 22 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.191 -1.191 25411 11635 1 22 . 1 1 29 29 ALA H H 29 8.323 8.323 8.726 -0.403 25411 11636 1 22 . 1 1 30 30 ASP N N 30 117.202 117.202 117.077 0.125 25411 11637 1 22 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.516 -0.235 25411 11638 1 22 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.620 -0.067 25411 11639 1 22 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.136 0.671 25411 11640 1 22 . 1 1 30 30 ASP H H 30 6.872 6.872 8.702 -1.830 25411 11641 1 22 . 1 1 31 31 LEU N N 31 122.273 122.273 120.778 1.495 25411 11642 1 22 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.329 -0.783 25411 11643 1 22 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.876 -0.151 25411 11644 1 22 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.496 -1.838 25411 11645 1 22 . 1 1 31 31 LEU H H 31 7.433 7.433 7.556 -0.123 25411 11646 1 22 . 1 1 32 32 LEU N N 32 123.376 123.376 118.145 5.231 25411 11647 1 22 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.129 -0.514 25411 11648 1 22 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.920 0.175 25411 11649 1 22 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.783 -1.242 25411 11650 1 22 . 1 1 32 32 LEU H H 32 8.727 8.727 7.834 0.893 25411 11651 1 22 . 1 1 33 33 LYS N N 33 118.078 118.078 120.699 -2.621 25411 11652 1 22 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.328 -0.115 25411 11653 1 22 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.362 -0.264 25411 11654 1 22 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.234 -0.344 25411 11655 1 22 . 1 1 33 33 LYS H H 33 7.149 7.149 7.645 -0.496 25411 11656 1 22 . 1 1 34 34 PHE N N 34 117.398 117.398 120.882 -3.484 25411 11657 1 22 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.910 -5.215 25411 11658 1 22 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.081 2.138 25411 11659 1 22 . 1 1 34 34 PHE H H 34 7.633 7.633 8.460 -0.827 25411 11660 1 22 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.118 -0.325 25411 11661 1 22 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.928 -0.336 25411 11662 1 22 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.228 -2.214 25411 11663 1 22 . 1 1 36 36 ASP N N 36 120.136 120.136 120.240 -0.104 25411 11664 1 22 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.420 -0.324 25411 11665 1 22 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.682 -0.741 25411 11666 1 22 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.542 -1.438 25411 11667 1 22 . 1 1 36 36 ASP H H 36 8.330 8.330 8.632 -0.302 25411 11668 1 22 . 1 1 37 37 PHE N N 37 121.883 121.883 121.061 0.822 25411 11669 1 22 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.269 -0.011 25411 11670 1 22 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.586 -1.888 25411 11671 1 22 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.287 0.898 25411 11672 1 22 . 1 1 37 37 PHE H H 37 7.794 7.794 8.569 -0.775 25411 11673 1 22 . 1 1 38 38 VAL N N 38 118.525 118.525 118.908 -0.383 25411 11674 1 22 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.544 -0.505 25411 11675 1 22 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.570 0.312 25411 11676 1 22 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.444 -0.756 25411 11677 1 22 . 1 1 38 38 VAL H H 38 8.262 8.262 7.993 0.269 25411 11678 1 22 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.956 -0.500 25411 11679 1 22 . 1 1 39 39 LYS CA C 39 59.054 59.054 58.890 0.164 25411 11680 1 22 . 1 1 39 39 LYS CB C 39 31.696 31.696 32.103 -0.407 25411 11681 1 22 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.363 0.082 25411 11682 1 22 . 1 1 40 40 ASP CA C 40 56.985 56.985 55.895 1.090 25411 11683 1 22 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.140 -0.448 25411 11684 1 22 . 1 1 41 41 ILE N N 41 120.641 120.641 118.693 1.948 25411 11685 1 22 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.929 0.096 25411 11686 1 22 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.362 -2.711 25411 11687 1 22 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.489 -0.424 25411 11688 1 22 . 1 1 41 41 ILE H H 41 8.788 8.788 7.957 0.831 25411 11689 1 22 . 1 1 42 42 CYS N N 42 117.896 117.896 116.364 1.532 25411 11690 1 22 . 1 1 42 42 CYS CA C 42 56.172 56.172 56.107 0.065 25411 11691 1 22 . 1 1 42 42 CYS CB C 42 28.324 28.324 29.359 -1.035 25411 11692 1 22 . 1 1 42 42 CYS H H 42 7.180 7.180 7.403 -0.223 25411 11693 1 22 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.212 0.103 25411 11694 1 22 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.865 0.138 25411 11695 1 22 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.439 -0.724 25411 11696 1 22 . 1 1 44 44 TRP N N 44 113.823 113.823 115.142 -1.319 25411 11697 1 22 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.608 -0.303 25411 11698 1 22 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.336 -1.938 25411 11699 1 22 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.275 -1.464 25411 11700 1 22 . 1 1 44 44 TRP H H 44 6.591 6.591 8.210 -1.619 25411 11701 1 22 . 1 1 45 45 PHE N N 45 123.100 123.100 119.611 3.489 25411 11702 1 22 . 1 1 45 45 PHE HA H 45 4.001 4.001 4.620 -0.619 25411 11703 1 22 . 1 1 45 45 PHE CA C 45 62.809 62.809 53.841 8.968 25411 11704 1 22 . 1 1 45 45 PHE CB C 45 34.935 34.935 37.669 -2.734 25411 11705 1 22 . 1 1 45 45 PHE H H 45 7.239 7.239 6.858 0.381 25411 11706 1 22 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.088 -0.076 25411 11707 1 22 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.708 -0.177 25411 11708 1 22 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.619 -1.132 25411 11709 1 22 . 1 1 47 47 GLN N N 47 114.502 114.502 117.076 -2.574 25411 11710 1 22 . 1 1 47 47 GLN HA H 47 3.937 3.937 3.874 0.063 25411 11711 1 22 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.449 -0.045 25411 11712 1 22 . 1 1 47 47 GLN CB C 47 28.320 28.320 26.714 1.606 25411 11713 1 22 . 1 1 47 47 GLN H H 47 6.518 6.518 8.280 -1.762 25411 11714 1 22 . 1 1 48 48 GLU N N 48 117.358 117.358 118.050 -0.692 25411 11715 1 22 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.221 -0.183 25411 11716 1 22 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.568 1.605 25411 11717 1 22 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.130 -1.176 25411 11718 1 22 . 1 1 48 48 GLU H H 48 7.318 7.318 7.683 -0.365 25411 11719 1 22 . 1 1 49 49 GLY N N 49 105.534 105.534 108.460 -2.926 25411 11720 1 22 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.726 1.577 25411 11721 1 22 . 1 1 49 49 GLY H H 49 7.296 7.296 7.589 -0.293 25411 11722 1 22 . 1 1 50 50 THR N N 50 114.069 114.069 112.225 1.844 25411 11723 1 22 . 1 1 50 50 THR HA H 50 4.234 4.234 4.356 -0.122 25411 11724 1 22 . 1 1 50 50 THR CA C 50 61.683 61.683 61.032 0.651 25411 11725 1 22 . 1 1 50 50 THR CB C 50 70.718 70.718 70.638 0.080 25411 11726 1 22 . 1 1 50 50 THR H H 50 7.597 7.597 7.785 -0.188 25411 11727 1 22 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.407 -0.282 25411 11728 1 22 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.103 -1.233 25411 11729 1 22 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.725 -4.437 25411 11730 1 22 . 1 1 52 52 ASP N N 52 121.791 121.791 124.603 -2.812 25411 11731 1 22 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.775 -0.152 25411 11732 1 22 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.770 -1.038 25411 11733 1 22 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.342 -1.881 25411 11734 1 22 . 1 1 52 52 ASP H H 52 7.168 7.168 8.246 -1.078 25411 11735 1 22 . 1 1 53 53 ILE N N 53 119.537 119.537 119.438 0.099 25411 11736 1 22 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.339 -0.204 25411 11737 1 22 . 1 1 53 53 ILE CA C 53 61.796 61.796 61.739 0.057 25411 11738 1 22 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.926 -2.111 25411 11739 1 22 . 1 1 53 53 ILE H H 53 8.336 8.336 8.458 -0.122 25411 11740 1 22 . 1 1 54 54 LYS N N 54 123.592 123.592 121.999 1.593 25411 11741 1 22 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.036 0.069 25411 11742 1 22 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.103 -0.131 25411 11743 1 22 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.169 -0.421 25411 11744 1 22 . 1 1 54 54 LYS H H 54 8.104 8.104 8.074 0.030 25411 11745 1 22 . 1 1 55 55 ARG N N 55 120.511 120.511 119.006 1.505 25411 11746 1 22 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.050 0.251 25411 11747 1 22 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.437 0.466 25411 11748 1 22 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.162 -0.106 25411 11749 1 22 . 1 1 55 55 ARG H H 55 9.196 9.196 8.765 0.431 25411 11750 1 22 . 1 1 56 56 TRP N N 56 120.681 120.681 121.433 -0.752 25411 11751 1 22 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.467 0.236 25411 11752 1 22 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.633 -1.227 25411 11753 1 22 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.241 0.773 25411 11754 1 22 . 1 1 56 56 TRP H H 56 8.899 8.899 8.080 0.819 25411 11755 1 22 . 1 1 57 57 ARG N N 57 122.115 122.115 119.313 2.802 25411 11756 1 22 . 1 1 57 57 ARG HA H 57 4.407 4.407 4.139 0.268 25411 11757 1 22 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.764 0.263 25411 11758 1 22 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.926 -0.140 25411 11759 1 22 . 1 1 57 57 ARG H H 57 9.210 9.210 8.361 0.849 25411 11760 1 22 . 1 1 58 58 ARG N N 58 120.918 120.918 119.783 1.135 25411 11761 1 22 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.182 0.663 25411 11762 1 22 . 1 1 58 58 ARG CB C 58 29.729 29.729 29.993 -0.264 25411 11763 1 22 . 1 1 58 58 ARG H H 58 7.640 7.640 7.737 -0.097 25411 11764 1 22 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.861 -0.097 25411 11765 1 22 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.525 0.475 25411 11766 1 22 . 1 1 59 59 VAL CB C 59 30.832 30.832 30.941 -0.109 25411 11767 1 22 . 1 1 59 59 VAL H H 59 7.916 7.916 7.596 0.320 25411 11768 1 22 . 1 1 60 60 GLY N N 60 106.856 106.856 107.463 -0.607 25411 11769 1 22 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.098 -1.017 25411 11770 1 22 . 1 1 60 60 GLY H H 60 7.623 7.623 8.346 -0.723 25411 11771 1 22 . 1 1 61 61 ASP N N 61 123.308 123.308 122.689 0.619 25411 11772 1 22 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.692 -0.467 25411 11773 1 22 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.114 -0.314 25411 11774 1 22 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.974 -1.490 25411 11775 1 22 . 1 1 61 61 ASP H H 61 8.203 8.203 8.324 -0.121 25411 11776 1 22 . 1 1 62 62 CYS N N 62 120.841 120.841 118.354 2.487 25411 11777 1 22 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.182 0.056 25411 11778 1 22 . 1 1 62 62 CYS CA C 62 62.950 62.950 63.584 -0.634 25411 11779 1 22 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.432 0.071 25411 11780 1 22 . 1 1 62 62 CYS H H 62 7.795 7.795 7.720 0.075 25411 11781 1 22 . 1 1 63 63 PHE N N 63 119.763 119.763 120.743 -0.980 25411 11782 1 22 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.252 0.026 25411 11783 1 22 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.777 -3.120 25411 11784 1 22 . 1 1 63 63 PHE CB C 63 36.990 36.990 39.270 -2.280 25411 11785 1 22 . 1 1 63 63 PHE H H 63 8.647 8.647 8.096 0.551 25411 11786 1 22 . 1 1 64 64 GLN N N 64 118.578 118.578 119.255 -0.677 25411 11787 1 22 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.045 0.263 25411 11788 1 22 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.920 0.413 25411 11789 1 22 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.572 0.007 25411 11790 1 22 . 1 1 64 64 GLN H H 64 8.261 8.261 8.452 -0.191 25411 11791 1 22 . 1 1 65 65 ASP N N 65 119.534 119.534 121.610 -2.076 25411 11792 1 22 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.371 0.113 25411 11793 1 22 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.236 0.093 25411 11794 1 22 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.936 -1.265 25411 11795 1 22 . 1 1 65 65 ASP H H 65 8.338 8.338 8.575 -0.237 25411 11796 1 22 . 1 1 66 66 TYR N N 66 123.600 123.600 122.012 1.588 25411 11797 1 22 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.841 0.661 25411 11798 1 22 . 1 1 66 66 TYR CA C 66 61.231 61.231 61.917 -0.686 25411 11799 1 22 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.347 0.085 25411 11800 1 22 . 1 1 66 66 TYR H H 66 7.804 7.804 8.142 -0.338 25411 11801 1 22 . 1 1 67 67 TYR N N 67 122.825 122.825 117.759 5.066 25411 11802 1 22 . 1 1 67 67 TYR HA H 67 3.997 3.997 4.050 -0.053 25411 11803 1 22 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.022 0.881 25411 11804 1 22 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.437 0.509 25411 11805 1 22 . 1 1 67 67 TYR H H 67 9.100 9.100 8.065 1.035 25411 11806 1 22 . 1 1 68 68 ASN N N 68 118.826 118.826 117.142 1.684 25411 11807 1 22 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.224 0.059 25411 11808 1 22 . 1 1 68 68 ASN CA C 68 55.432 55.432 56.159 -0.727 25411 11809 1 22 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.477 -0.602 25411 11810 1 22 . 1 1 68 68 ASN H H 68 8.853 8.853 8.470 0.383 25411 11811 1 22 . 1 1 69 69 THR N N 69 114.242 114.242 115.181 -0.939 25411 11812 1 22 . 1 1 69 69 THR HA H 69 3.837 3.837 4.001 -0.164 25411 11813 1 22 . 1 1 69 69 THR CA C 69 65.328 65.328 65.084 0.244 25411 11814 1 22 . 1 1 69 69 THR CB C 69 69.249 69.249 68.431 0.818 25411 11815 1 22 . 1 1 69 69 THR H H 69 7.847 7.847 8.073 -0.226 25411 11816 1 22 . 1 1 70 70 PHE N N 70 117.970 117.970 118.586 -0.616 25411 11817 1 22 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.331 0.233 25411 11818 1 22 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.994 0.248 25411 11819 1 22 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.359 2.715 25411 11820 1 22 . 1 1 70 70 PHE H H 70 8.489 8.489 7.120 1.369 25411 11821 1 22 . 1 1 71 71 GLY N N 71 109.516 109.516 108.169 1.347 25411 11822 1 22 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.808 0.224 25411 11823 1 22 . 1 1 71 71 GLY H H 71 7.968 7.968 7.527 0.441 25411 11824 1 22 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.404 0.307 25411 11825 1 22 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.146 1.151 25411 11826 1 22 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.364 0.380 25411 11827 1 22 . 1 1 73 73 GLU N N 73 117.720 117.720 126.717 -8.997 25411 11828 1 22 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.037 -0.138 25411 11829 1 22 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.678 0.058 25411 11830 1 22 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.543 -0.680 25411 11831 1 22 . 1 1 73 73 GLU H H 73 8.586 8.586 8.477 0.109 25411 11832 1 22 . 1 1 74 74 LYS N N 74 116.974 116.974 118.865 -1.891 25411 11833 1 22 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.388 0.001 25411 11834 1 22 . 1 1 74 74 LYS CA C 74 55.185 55.185 54.791 0.394 25411 11835 1 22 . 1 1 74 74 LYS CB C 74 34.087 34.087 30.909 3.178 25411 11836 1 22 . 1 1 74 74 LYS H H 74 7.505 7.505 8.187 -0.682 25411 11837 1 22 . 1 1 75 75 VAL N N 75 117.309 117.309 123.332 -6.023 25411 11838 1 22 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.166 0.147 25411 11839 1 22 . 1 1 75 75 VAL CA C 75 62.045 62.045 61.370 0.675 25411 11840 1 22 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.331 -0.347 25411 11841 1 22 . 1 1 75 75 VAL H H 75 7.402 7.402 7.371 0.031 25411 11842 1 22 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.553 0.009 25411 11843 1 22 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.769 -1.082 25411 11844 1 22 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.550 -0.819 25411 11845 1 22 . 1 1 77 77 VAL N N 77 120.870 120.870 121.833 -0.963 25411 11846 1 22 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.180 -0.352 25411 11847 1 22 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.270 1.568 25411 11848 1 22 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.758 -0.371 25411 11849 1 22 . 1 1 77 77 VAL H H 77 8.473 8.473 8.837 -0.364 25411 11850 1 22 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.797 0.055 25411 11851 1 22 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.214 -3.089 25411 11852 1 22 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.928 0.207 25411 11853 1 22 . 1 1 78 78 ILE H H 78 8.388 8.388 8.014 0.374 25411 11854 1 22 . 1 1 79 79 ALA N N 79 123.960 123.960 123.533 0.427 25411 11855 1 22 . 1 1 79 79 ALA HA H 79 3.890 3.890 3.930 -0.040 25411 11856 1 22 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.438 0.451 25411 11857 1 22 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.222 -0.599 25411 11858 1 22 . 1 1 79 79 ALA H H 79 7.953 7.953 8.076 -0.123 25411 11859 1 22 . 1 1 80 80 PHE N N 80 114.330 114.330 115.805 -1.475 25411 11860 1 22 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.414 0.017 25411 11861 1 22 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.703 1.609 25411 11862 1 22 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.271 -1.615 25411 11863 1 22 . 1 1 80 80 PHE H H 80 7.499 7.499 8.345 -0.846 25411 11864 1 22 . 1 1 81 81 SER N N 81 115.971 115.971 115.217 0.754 25411 11865 1 22 . 1 1 81 81 SER HA H 81 4.206 4.206 4.330 -0.124 25411 11866 1 22 . 1 1 81 81 SER CA C 81 58.432 58.432 59.910 -1.478 25411 11867 1 22 . 1 1 81 81 SER CB C 81 63.575 63.575 63.697 -0.122 25411 11868 1 22 . 1 1 81 81 SER H H 81 8.225 8.225 7.673 0.552 25411 11869 1 22 . 1 1 82 82 TYR N N 82 121.997 121.997 124.059 -2.062 25411 11870 1 22 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.134 0.313 25411 11871 1 22 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.148 -4.263 25411 11872 1 22 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.605 -0.766 25411 11873 1 22 . 1 1 82 82 TYR H H 82 8.378 8.378 7.192 1.186 25411 11874 1 22 . 1 1 83 83 TRP N N 83 120.268 120.268 118.195 2.073 25411 11875 1 22 . 1 1 83 83 TRP CA C 83 57.393 57.393 58.970 -1.577 25411 11876 1 22 . 1 1 83 83 TRP CB C 83 28.894 28.894 28.419 0.475 25411 11877 1 22 . 1 1 83 83 TRP H H 83 8.546 8.546 8.834 -0.288 25411 11878 1 22 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.309 -0.089 25411 11879 1 22 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.130 0.499 25411 11880 1 22 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.717 1.348 25411 11881 1 22 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.074 -0.028 25411 11882 1 22 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.089 1.053 25411 11883 1 22 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.806 -0.114 25411 11884 1 22 . 1 1 86 86 ILE N N 86 117.000 117.000 120.499 -3.499 25411 11885 1 22 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.452 -0.006 25411 11886 1 22 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.815 -2.532 25411 11887 1 22 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.819 -1.407 25411 11888 1 22 . 1 1 86 86 ILE H H 86 7.882 7.882 7.663 0.219 25411 11889 1 22 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.971 -0.745 25411 11890 1 22 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.383 0.613 25411 11891 1 22 . 1 1 87 87 LYS CB C 87 31.050 31.050 32.382 -1.332 25411 11892 1 22 . 1 1 88 88 GLU N N 88 116.404 116.404 117.347 -0.943 25411 11893 1 22 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.264 -0.417 25411 11894 1 22 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.284 0.627 25411 11895 1 22 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.840 -0.871 25411 11896 1 22 . 1 1 88 88 GLU H H 88 7.689 7.689 7.602 0.087 25411 11897 1 22 . 1 1 89 89 LEU N N 89 118.193 118.193 122.037 -3.844 25411 11898 1 22 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.124 -0.235 25411 11899 1 22 . 1 1 89 89 LEU CA C 89 57.963 57.963 57.211 0.753 25411 11900 1 22 . 1 1 89 89 LEU CB C 89 41.300 41.300 41.859 -0.559 25411 11901 1 22 . 1 1 89 89 LEU H H 89 7.415 7.415 8.085 -0.670 25411 11902 1 22 . 1 1 90 90 ILE N N 90 115.471 115.471 121.113 -5.642 25411 11903 1 22 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.586 -0.168 25411 11904 1 22 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.301 0.607 25411 11905 1 22 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.657 -0.063 25411 11906 1 22 . 1 1 90 90 ILE H H 90 7.718 7.718 7.727 -0.009 25411 11907 1 22 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.370 -0.650 25411 11908 1 22 . 1 1 91 91 ASP CA C 91 57.664 57.664 57.280 0.384 25411 11909 1 22 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.776 -0.244 25411 11910 1 22 . 1 1 92 92 LYS N N 92 119.253 119.253 118.197 1.056 25411 11911 1 22 . 1 1 92 92 LYS CA C 92 58.897 58.897 56.205 2.692 25411 11912 1 22 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.087 -0.099 25411 11913 1 22 . 1 1 92 92 LYS H H 92 7.869 7.869 7.909 -0.040 25411 11914 1 22 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.996 0.535 25411 11915 1 22 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.713 -3.455 25411 11916 1 22 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.054 0.115 25411 11917 1 22 . 1 1 94 94 GLU N N 94 116.729 116.729 120.598 -3.869 25411 11918 1 22 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.085 0.048 25411 11919 1 22 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.127 0.192 25411 11920 1 22 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.214 -1.839 25411 11921 1 22 . 1 1 94 94 GLU H H 94 8.393 8.393 7.632 0.761 25411 11922 1 22 . 1 1 95 95 VAL N N 95 121.696 121.696 117.876 3.820 25411 11923 1 22 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.862 0.620 25411 11924 1 22 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.702 3.019 25411 11925 1 22 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.602 1.292 25411 11926 1 22 . 1 1 95 95 VAL H H 95 7.923 7.923 7.804 0.119 25411 11927 1 22 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.584 -0.226 25411 11928 1 22 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.502 0.105 25411 11929 1 22 . 1 1 97 97 PRO CB C 97 31.874 31.874 33.076 -1.202 25411 11930 1 22 . 1 1 98 98 GLN N N 98 117.731 117.731 118.840 -1.109 25411 11931 1 22 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.104 -0.179 25411 11932 1 22 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.204 0.404 25411 11933 1 22 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.976 0.545 25411 11934 1 22 . 1 1 98 98 GLN H H 98 8.359 8.359 8.294 0.065 25411 11935 1 22 . 1 1 99 99 VAL N N 99 121.326 121.326 118.213 3.113 25411 11936 1 22 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.807 -0.387 25411 11937 1 22 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.799 0.605 25411 11938 1 22 . 1 1 99 99 VAL CB C 99 31.619 31.619 30.999 0.620 25411 11939 1 22 . 1 1 99 99 VAL H H 99 7.901 7.901 8.354 -0.453 25411 11940 1 22 . 1 1 100 100 MET N N 100 120.447 120.447 116.394 4.053 25411 11941 1 22 . 1 1 100 100 MET HA H 100 3.812 3.812 4.365 -0.553 25411 11942 1 22 . 1 1 100 100 MET CA C 100 59.297 59.297 58.247 1.050 25411 11943 1 22 . 1 1 100 100 MET CB C 100 32.099 32.099 33.226 -1.127 25411 11944 1 22 . 1 1 100 100 MET H H 100 7.509 7.509 7.635 -0.126 25411 11945 1 22 . 1 1 101 101 ALA N N 101 119.458 119.458 121.870 -2.412 25411 11946 1 22 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.295 -0.085 25411 11947 1 22 . 1 1 101 101 ALA CA C 101 54.752 54.752 53.734 1.018 25411 11948 1 22 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.588 -1.067 25411 11949 1 22 . 1 1 101 101 ALA H H 101 7.889 7.889 7.743 0.146 25411 11950 1 22 . 1 1 102 102 ALA N N 102 119.627 119.627 120.919 -1.292 25411 11951 1 22 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.247 -0.254 25411 11952 1 22 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.238 0.650 25411 11953 1 22 . 1 1 102 102 ALA CB C 102 17.344 17.344 19.266 -1.922 25411 11954 1 22 . 1 1 102 102 ALA H H 102 7.563 7.563 8.069 -0.506 25411 11955 1 22 . 1 1 103 103 VAL N N 103 122.690 122.690 118.817 3.873 25411 11956 1 22 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.909 0.164 25411 11957 1 22 . 1 1 103 103 VAL CA C 103 61.685 61.685 64.990 -3.305 25411 11958 1 22 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.809 1.413 25411 11959 1 22 . 1 1 103 103 VAL H H 103 8.828 8.828 7.825 1.003 25411 11960 1 22 . 1 1 104 104 ALA N N 104 128.041 128.041 117.818 10.223 25411 11961 1 22 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.279 -0.010 25411 11962 1 22 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.042 -1.901 25411 11963 1 22 . 1 1 104 104 ALA CB C 104 18.940 18.940 17.950 0.991 25411 11964 1 22 . 1 1 104 104 ALA H H 104 8.367 8.367 7.442 0.925 25411 11965 1 22 . 1 1 105 105 GLN N N 105 120.265 120.265 114.505 5.760 25411 11966 1 22 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.633 0.298 25411 11967 1 22 . 1 1 105 105 GLN CB C 105 29.020 29.020 31.343 -2.323 25411 11968 1 22 . 1 1 105 105 GLN H H 105 8.356 8.356 7.437 0.919 25411 11969 1 22 . 1 1 106 106 THR HA H 106 4.320 4.320 4.175 0.145 25411 11970 1 22 . 1 1 106 106 THR CA C 106 61.346 61.346 65.271 -3.925 25411 11971 1 22 . 1 1 106 106 THR CB C 106 69.293 69.293 69.328 -0.035 25411 11972 1 22 . 1 1 107 107 GLU N N 107 122.706 122.706 120.150 2.556 25411 11973 1 22 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.445 -0.263 25411 11974 1 22 . 1 1 107 107 GLU CA C 107 56.576 56.576 57.230 -0.654 25411 11975 1 22 . 1 1 107 107 GLU CB C 107 29.936 29.936 31.807 -1.871 25411 11976 1 22 . 1 1 107 107 GLU H H 107 8.404 8.404 7.535 0.869 25411 11977 1 22 . 1 1 108 108 GLU N N 108 122.034 122.034 116.488 5.546 25411 11978 1 22 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.038 0.123 25411 11979 1 22 . 1 1 108 108 GLU CA C 108 56.649 56.649 56.855 -0.207 25411 11980 1 22 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.914 -0.238 25411 11981 1 22 . 1 1 108 108 GLU H H 108 7.341 7.341 7.679 -0.338 25411 11982 1 22 . 1 1 109 109 ILE N N 109 122.151 122.151 115.770 6.381 25411 11983 1 22 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.214 -0.167 25411 11984 1 22 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.763 -1.198 25411 11985 1 22 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.398 -0.294 25411 11986 1 22 . 1 1 109 109 ILE H H 109 8.058 8.058 8.660 -0.602 25411 11987 1 22 . 1 1 110 110 LEU N N 110 122.427 122.427 120.011 2.416 25411 11988 1 22 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.166 0.110 25411 11989 1 22 . 1 1 110 110 LEU CA C 110 55.151 55.151 55.491 -0.340 25411 11990 1 22 . 1 1 110 110 LEU CB C 110 32.255 32.255 41.168 -8.913 25411 11991 1 22 . 1 1 110 110 LEU H H 110 8.194 8.194 7.909 0.285 25411 11992 1 22 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.108 0.139 25411 11993 1 22 . 1 1 111 111 LYS CA C 111 56.137 56.137 57.978 -1.841 25411 11994 1 22 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.304 0.265 25411 11995 1 22 . 1 1 112 112 SER N N 112 116.453 116.453 113.133 3.320 25411 11996 1 22 . 1 1 112 112 SER HA H 112 4.175 4.175 4.151 0.024 25411 11997 1 22 . 1 1 112 112 SER CA C 112 58.311 58.311 58.998 -0.687 25411 11998 1 22 . 1 1 112 112 SER CB C 112 63.441 63.441 61.946 1.495 25411 11999 1 22 . 1 1 112 112 SER H H 112 8.204 8.204 7.989 0.215 25411 12000 1 22 . 1 1 113 113 ASN N N 113 119.747 119.747 115.650 4.097 25411 12001 1 22 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.365 0.279 25411 12002 1 22 . 1 1 113 113 ASN CA C 113 53.645 53.645 54.604 -0.959 25411 12003 1 22 . 1 1 113 113 ASN CB C 113 38.646 38.646 38.059 0.587 25411 12004 1 22 . 1 1 113 113 ASN H H 113 7.944 7.944 8.538 -0.594 25411 12005 1 22 . 1 1 114 114 SER N N 114 115.433 115.433 114.695 0.738 25411 12006 1 22 . 1 1 114 114 SER HA H 114 4.336 4.336 4.668 -0.332 25411 12007 1 22 . 1 1 114 114 SER CA C 114 58.711 58.711 57.299 1.412 25411 12008 1 22 . 1 1 114 114 SER CB C 114 63.308 63.308 62.064 1.244 25411 12009 1 22 . 1 1 114 114 SER H H 114 7.962 7.962 8.095 -0.133 25411 12010 1 22 . 1 1 115 115 GLN N N 115 121.682 121.682 119.380 2.302 25411 12011 1 22 . 1 1 115 115 GLN HA H 115 4.274 4.274 3.882 0.392 25411 12012 1 22 . 1 1 115 115 GLN CA C 115 56.193 56.193 58.587 -2.394 25411 12013 1 22 . 1 1 115 115 GLN CB C 115 28.807 28.807 27.799 1.008 25411 12014 1 22 . 1 1 115 115 GLN H H 115 8.207 8.207 7.970 0.237 25411 12015 1 22 . 1 1 116 116 THR N N 116 114.715 114.715 105.683 9.032 25411 12016 1 22 . 1 1 116 116 THR HA H 116 4.225 4.225 4.583 -0.358 25411 12017 1 22 . 1 1 116 116 THR CA C 116 62.109 62.109 59.556 2.553 25411 12018 1 22 . 1 1 116 116 THR CB C 116 69.336 69.336 71.422 -2.086 25411 12019 1 22 . 1 1 116 116 THR H H 116 8.062 8.062 7.609 0.453 25411 12020 1 22 . 1 1 117 117 ASP N N 117 122.602 122.602 120.410 2.192 25411 12021 1 22 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.278 0.290 25411 12022 1 22 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.273 -2.069 25411 12023 1 22 . 1 1 117 117 ASP CB C 117 40.665 40.665 39.739 0.926 25411 12024 1 22 . 1 1 117 117 ASP H H 117 8.065 8.065 8.908 -0.843 25411 12025 1 22 . 1 1 118 118 LEU N N 118 122.140 122.140 119.133 3.007 25411 12026 1 22 . 1 1 118 118 LEU HA H 118 4.155 4.155 3.613 0.542 25411 12027 1 22 . 1 1 118 118 LEU CA C 118 55.423 55.423 55.390 0.033 25411 12028 1 22 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.315 0.558 25411 12029 1 22 . 1 1 118 118 LEU H H 118 8.085 8.085 7.597 0.488 25411 12030 1 22 . 1 1 119 119 GLU N N 119 119.672 119.672 115.632 4.040 25411 12031 1 22 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.861 0.207 25411 12032 1 22 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.950 -1.385 25411 12033 1 22 . 1 1 119 119 GLU CB C 119 29.572 29.572 28.067 1.505 25411 12034 1 22 . 1 1 119 119 GLU H H 119 8.143 8.143 7.623 0.520 25411 12035 1 22 . 1 1 120 120 HIS N N 120 118.301 118.301 117.959 0.342 25411 12036 1 22 . 1 1 120 120 HIS CA C 120 55.883 55.883 54.068 1.815 25411 12037 1 22 . 1 1 120 120 HIS CB C 120 29.270 29.270 30.667 -1.397 25411 12038 1 22 . 1 1 120 120 HIS H H 120 8.107 8.107 7.640 0.467 25411 12039 1 22 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.638 -0.630 25411 12040 1 22 . 1 1 121 121 HIS CA C 121 55.166 55.166 56.459 -1.293 25411 12041 1 22 . 1 1 121 121 HIS CB C 121 28.759 28.759 28.488 0.272 25411 12042 1 22 . 1 1 122 122 HIS N N 122 122.407 122.407 121.709 0.698 25411 12043 1 22 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.680 -0.462 25411 12044 1 22 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.142 1.939 25411 12045 1 22 . 1 1 122 122 HIS CB C 122 29.371 29.371 32.958 -3.587 25411 12046 1 22 . 1 1 122 122 HIS H H 122 8.489 8.489 8.400 0.089 25411 12047 1 22 . 1 1 123 123 HIS N N 123 122.868 122.868 118.983 3.885 25411 12048 1 22 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.397 -0.010 25411 12049 1 22 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.965 -0.655 25411 12050 1 22 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.381 0.121 25411 12051 1 22 . 1 1 123 123 HIS H H 123 8.596 8.596 9.049 -0.453 25411 12052 1 22 . 1 1 124 124 HIS N N 124 123.734 123.734 125.676 -1.942 25411 12053 1 22 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.871 -0.314 25411 12054 1 22 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.342 1.043 25411 12055 1 22 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.158 1.200 25411 12056 1 22 . 1 1 124 124 HIS H H 124 8.255 8.255 8.127 0.128 25411 12057 1 23 . 1 1 3 3 GLN N N 3 122.360 122.360 120.250 2.110 25411 12058 1 23 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.337 -0.449 25411 12059 1 23 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.902 1.840 25411 12060 1 23 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.777 -0.395 25411 12061 1 23 . 1 1 3 3 GLN H H 3 9.398 9.398 8.566 0.832 25411 12062 1 23 . 1 1 4 4 GLU N N 4 119.689 119.689 119.679 0.010 25411 12063 1 23 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.148 0.526 25411 12064 1 23 . 1 1 4 4 GLU CA C 4 57.807 57.807 58.130 -0.323 25411 12065 1 23 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.765 -0.065 25411 12066 1 23 . 1 1 4 4 GLU H H 4 7.464 7.464 8.871 -1.407 25411 12067 1 23 . 1 1 5 5 LEU N N 5 114.872 114.872 122.146 -7.274 25411 12068 1 23 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.092 -0.391 25411 12069 1 23 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.273 -0.535 25411 12070 1 23 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.919 -1.104 25411 12071 1 23 . 1 1 5 5 LEU H H 5 8.206 8.206 7.599 0.607 25411 12072 1 23 . 1 1 6 6 SER N N 6 109.762 109.762 113.059 -3.297 25411 12073 1 23 . 1 1 6 6 SER HA H 6 4.092 4.092 4.134 -0.042 25411 12074 1 23 . 1 1 6 6 SER CA C 6 60.415 60.415 61.913 -1.498 25411 12075 1 23 . 1 1 6 6 SER CB C 6 63.391 63.391 62.616 0.775 25411 12076 1 23 . 1 1 6 6 SER H H 6 8.253 8.253 8.238 0.015 25411 12077 1 23 . 1 1 7 7 GLN N N 7 117.498 117.498 123.132 -5.634 25411 12078 1 23 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.130 -0.175 25411 12079 1 23 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.501 -0.076 25411 12080 1 23 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.482 0.257 25411 12081 1 23 . 1 1 7 7 GLN H H 7 8.673 8.673 7.800 0.873 25411 12082 1 23 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.193 -0.396 25411 12083 1 23 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.118 -0.063 25411 12084 1 23 . 1 1 8 8 HIS CB C 8 29.109 29.109 29.854 -0.745 25411 12085 1 23 . 1 1 9 9 GLU N N 9 120.354 120.354 119.214 1.140 25411 12086 1 23 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.099 -0.140 25411 12087 1 23 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.609 0.648 25411 12088 1 23 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.792 -0.565 25411 12089 1 23 . 1 1 9 9 GLU H H 9 7.690 7.690 8.462 -0.772 25411 12090 1 23 . 1 1 10 10 ARG N N 10 118.753 118.753 119.739 -0.986 25411 12091 1 23 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.097 0.002 25411 12092 1 23 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.442 -1.221 25411 12093 1 23 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.121 -1.026 25411 12094 1 23 . 1 1 10 10 ARG H H 10 8.928 8.928 7.873 1.055 25411 12095 1 23 . 1 1 11 11 TYR N N 11 121.288 121.288 119.210 2.078 25411 12096 1 23 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.320 -0.131 25411 12097 1 23 . 1 1 11 11 TYR CA C 11 61.236 61.236 61.359 -0.123 25411 12098 1 23 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.229 -0.368 25411 12099 1 23 . 1 1 11 11 TYR H H 11 7.562 7.562 8.591 -1.029 25411 12100 1 23 . 1 1 12 12 VAL N N 12 119.304 119.304 120.046 -0.742 25411 12101 1 23 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.534 -0.451 25411 12102 1 23 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.740 0.095 25411 12103 1 23 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.774 -0.675 25411 12104 1 23 . 1 1 12 12 VAL H H 12 8.075 8.075 8.069 0.006 25411 12105 1 23 . 1 1 13 13 GLU N N 13 119.685 119.685 120.275 -0.590 25411 12106 1 23 . 1 1 13 13 GLU HA H 13 4.155 4.155 3.994 0.161 25411 12107 1 23 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.196 0.229 25411 12108 1 23 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.236 -0.048 25411 12109 1 23 . 1 1 13 13 GLU H H 13 8.278 8.278 7.728 0.550 25411 12110 1 23 . 1 1 14 14 GLN N N 14 119.682 119.682 119.755 -0.073 25411 12111 1 23 . 1 1 14 14 GLN HA H 14 3.656 3.656 3.985 -0.329 25411 12112 1 23 . 1 1 14 14 GLN CA C 14 59.969 59.969 59.031 0.938 25411 12113 1 23 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.623 1.050 25411 12114 1 23 . 1 1 14 14 GLN H H 14 7.653 7.653 8.211 -0.558 25411 12115 1 23 . 1 1 15 15 LEU N N 15 121.000 121.000 117.975 3.025 25411 12116 1 23 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.137 -0.216 25411 12117 1 23 . 1 1 15 15 LEU CA C 15 58.455 58.455 56.616 1.839 25411 12118 1 23 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.058 -0.298 25411 12119 1 23 . 1 1 15 15 LEU H H 15 8.402 8.402 8.576 -0.174 25411 12120 1 23 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.847 -0.151 25411 12121 1 23 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.527 -0.269 25411 12122 1 23 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.312 -0.177 25411 12123 1 23 . 1 1 17 17 GLN N N 17 117.558 117.558 118.530 -0.972 25411 12124 1 23 . 1 1 17 17 GLN HA H 17 3.887 3.887 3.941 -0.054 25411 12125 1 23 . 1 1 17 17 GLN CA C 17 58.442 58.442 59.009 -0.567 25411 12126 1 23 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.589 -0.544 25411 12127 1 23 . 1 1 17 17 GLN H H 17 7.849 7.849 8.274 -0.425 25411 12128 1 23 . 1 1 18 18 ALA N N 18 120.288 120.288 122.852 -2.564 25411 12129 1 23 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.122 -0.334 25411 12130 1 23 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.852 0.041 25411 12131 1 23 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.582 -1.186 25411 12132 1 23 . 1 1 18 18 ALA H H 18 8.504 8.504 8.145 0.359 25411 12133 1 23 . 1 1 19 19 LEU N N 19 116.974 116.974 117.939 -0.965 25411 12134 1 23 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.011 -0.253 25411 12135 1 23 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.980 0.572 25411 12136 1 23 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.654 -0.961 25411 12137 1 23 . 1 1 19 19 LEU H H 19 8.143 8.143 8.219 -0.076 25411 12138 1 23 . 1 1 20 20 LYS N N 20 117.776 117.776 121.324 -3.548 25411 12139 1 23 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.106 -0.151 25411 12140 1 23 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.745 -0.201 25411 12141 1 23 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.516 -2.030 25411 12142 1 23 . 1 1 20 20 LYS H H 20 8.340 8.340 8.255 0.085 25411 12143 1 23 . 1 1 21 21 THR N N 21 116.373 116.373 111.846 4.527 25411 12144 1 23 . 1 1 21 21 THR HA H 21 4.107 4.107 4.200 -0.093 25411 12145 1 23 . 1 1 21 21 THR CA C 21 64.611 64.611 64.509 0.102 25411 12146 1 23 . 1 1 21 21 THR CB C 21 68.811 68.811 68.329 0.482 25411 12147 1 23 . 1 1 21 21 THR H H 21 7.302 7.302 7.921 -0.619 25411 12148 1 23 . 1 1 22 22 ARG N N 22 118.647 118.647 119.335 -0.688 25411 12149 1 23 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.466 -0.104 25411 12150 1 23 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.724 -1.659 25411 12151 1 23 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.195 -1.667 25411 12152 1 23 . 1 1 22 22 ARG H H 22 7.290 7.290 7.557 -0.267 25411 12153 1 23 . 1 1 23 23 GLY N N 23 108.637 108.637 107.399 1.238 25411 12154 1 23 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.279 0.833 25411 12155 1 23 . 1 1 23 23 GLY H H 23 7.881 7.881 7.687 0.194 25411 12156 1 23 . 1 1 24 24 VAL N N 24 117.390 117.390 123.099 -5.709 25411 12157 1 23 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.846 0.168 25411 12158 1 23 . 1 1 24 24 VAL CA C 24 61.668 61.668 62.285 -0.617 25411 12159 1 23 . 1 1 24 24 VAL CB C 24 32.372 32.372 28.488 3.884 25411 12160 1 23 . 1 1 24 24 VAL H H 24 7.333 7.333 7.519 -0.186 25411 12161 1 23 . 1 1 25 25 LYS N N 25 127.322 127.322 118.763 8.559 25411 12162 1 23 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.885 0.447 25411 12163 1 23 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.640 -1.878 25411 12164 1 23 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.678 0.083 25411 12165 1 23 . 1 1 25 25 LYS H H 25 8.722 8.722 8.315 0.407 25411 12166 1 23 . 1 1 26 26 VAL N N 26 120.568 120.568 118.562 2.006 25411 12167 1 23 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.250 -0.172 25411 12168 1 23 . 1 1 26 26 VAL CA C 26 60.665 60.665 62.118 -1.453 25411 12169 1 23 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.852 -0.205 25411 12170 1 23 . 1 1 26 26 VAL H H 26 7.119 7.119 8.188 -1.069 25411 12171 1 23 . 1 1 27 27 LYS N N 27 125.675 125.675 128.274 -2.599 25411 12172 1 23 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.378 -0.052 25411 12173 1 23 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.281 0.130 25411 12174 1 23 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.852 -2.893 25411 12175 1 23 . 1 1 27 27 LYS H H 27 8.570 8.570 8.032 0.538 25411 12176 1 23 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.455 -0.438 25411 12177 1 23 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.668 -2.256 25411 12178 1 23 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.844 1.996 25411 12179 1 23 . 1 1 29 29 ALA N N 29 120.743 120.743 126.622 -5.879 25411 12180 1 23 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.021 -0.353 25411 12181 1 23 . 1 1 29 29 ALA CA C 29 54.678 54.678 54.727 -0.049 25411 12182 1 23 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.297 -0.297 25411 12183 1 23 . 1 1 29 29 ALA H H 29 8.323 8.323 8.725 -0.402 25411 12184 1 23 . 1 1 30 30 ASP N N 30 117.202 117.202 118.949 -1.747 25411 12185 1 23 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.592 -0.311 25411 12186 1 23 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.406 0.147 25411 12187 1 23 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.984 -0.177 25411 12188 1 23 . 1 1 30 30 ASP H H 30 6.872 6.872 8.657 -1.785 25411 12189 1 23 . 1 1 31 31 LEU N N 31 122.273 122.273 118.404 3.869 25411 12190 1 23 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.297 -0.751 25411 12191 1 23 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.502 0.223 25411 12192 1 23 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.176 -1.518 25411 12193 1 23 . 1 1 31 31 LEU H H 31 7.433 7.433 7.602 -0.169 25411 12194 1 23 . 1 1 32 32 LEU N N 32 123.376 123.376 119.314 4.062 25411 12195 1 23 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.206 -0.591 25411 12196 1 23 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.771 0.325 25411 12197 1 23 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.959 -1.417 25411 12198 1 23 . 1 1 32 32 LEU H H 32 8.727 8.727 7.910 0.817 25411 12199 1 23 . 1 1 33 33 LYS N N 33 118.078 118.078 120.045 -1.967 25411 12200 1 23 . 1 1 33 33 LYS HA H 33 4.213 4.213 3.942 0.271 25411 12201 1 23 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.526 -0.428 25411 12202 1 23 . 1 1 33 33 LYS CB C 33 31.890 31.890 31.671 0.219 25411 12203 1 23 . 1 1 33 33 LYS H H 33 7.149 7.149 7.775 -0.626 25411 12204 1 23 . 1 1 34 34 PHE N N 34 117.398 117.398 118.636 -1.238 25411 12205 1 23 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.982 -5.287 25411 12206 1 23 . 1 1 34 34 PHE CB C 34 41.219 41.219 38.931 2.288 25411 12207 1 23 . 1 1 34 34 PHE H H 34 7.633 7.633 7.853 -0.220 25411 12208 1 23 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.073 -0.280 25411 12209 1 23 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.920 -0.329 25411 12210 1 23 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.252 -2.238 25411 12211 1 23 . 1 1 36 36 ASP N N 36 120.136 120.136 120.247 -0.111 25411 12212 1 23 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.453 -0.357 25411 12213 1 23 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.722 -0.781 25411 12214 1 23 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.425 -1.321 25411 12215 1 23 . 1 1 36 36 ASP H H 36 8.330 8.330 8.769 -0.439 25411 12216 1 23 . 1 1 37 37 PHE N N 37 121.883 121.883 119.410 2.473 25411 12217 1 23 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.320 -0.062 25411 12218 1 23 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.018 -1.320 25411 12219 1 23 . 1 1 37 37 PHE CB C 37 40.185 40.185 38.695 1.490 25411 12220 1 23 . 1 1 37 37 PHE H H 37 7.794 7.794 8.709 -0.915 25411 12221 1 23 . 1 1 38 38 VAL N N 38 118.525 118.525 118.966 -0.441 25411 12222 1 23 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.666 -0.627 25411 12223 1 23 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.720 0.162 25411 12224 1 23 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.595 -0.907 25411 12225 1 23 . 1 1 38 38 VAL H H 38 8.262 8.262 8.081 0.181 25411 12226 1 23 . 1 1 39 39 LYS HA H 39 3.456 3.456 4.014 -0.558 25411 12227 1 23 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.078 -0.024 25411 12228 1 23 . 1 1 39 39 LYS CB C 39 31.696 31.696 32.146 -0.450 25411 12229 1 23 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.547 -0.102 25411 12230 1 23 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.078 0.907 25411 12231 1 23 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.832 -1.140 25411 12232 1 23 . 1 1 41 41 ILE N N 41 120.641 120.641 119.523 1.118 25411 12233 1 23 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.916 0.109 25411 12234 1 23 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.634 -2.982 25411 12235 1 23 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.761 -0.697 25411 12236 1 23 . 1 1 41 41 ILE H H 41 8.788 8.788 7.847 0.941 25411 12237 1 23 . 1 1 42 42 CYS N N 42 117.896 117.896 114.645 3.251 25411 12238 1 23 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.864 0.308 25411 12239 1 23 . 1 1 42 42 CYS CB C 42 28.324 28.324 28.136 0.188 25411 12240 1 23 . 1 1 42 42 CYS H H 42 7.180 7.180 8.039 -0.859 25411 12241 1 23 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.251 0.064 25411 12242 1 23 . 1 1 43 43 PRO CA C 43 65.003 65.003 65.352 -0.349 25411 12243 1 23 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.796 -1.081 25411 12244 1 23 . 1 1 44 44 TRP N N 44 113.823 113.823 119.733 -5.910 25411 12245 1 23 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.502 -0.197 25411 12246 1 23 . 1 1 44 44 TRP CA C 44 55.398 55.398 56.809 -1.411 25411 12247 1 23 . 1 1 44 44 TRP CB C 44 27.811 27.811 30.124 -2.313 25411 12248 1 23 . 1 1 44 44 TRP H H 44 6.591 6.591 7.828 -1.237 25411 12249 1 23 . 1 1 45 45 PHE N N 45 123.100 123.100 112.407 10.693 25411 12250 1 23 . 1 1 45 45 PHE HA H 45 4.001 4.001 4.924 -0.923 25411 12251 1 23 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.245 8.564 25411 12252 1 23 . 1 1 45 45 PHE CB C 45 34.935 34.935 37.245 -2.309 25411 12253 1 23 . 1 1 45 45 PHE H H 45 7.239 7.239 7.660 -0.421 25411 12254 1 23 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.307 -0.295 25411 12255 1 23 . 1 1 46 46 PRO CA C 46 64.531 64.531 63.936 0.595 25411 12256 1 23 . 1 1 46 46 PRO CB C 46 30.487 30.487 32.053 -1.565 25411 12257 1 23 . 1 1 47 47 GLN N N 47 114.502 114.502 119.893 -5.391 25411 12258 1 23 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.071 -0.134 25411 12259 1 23 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.766 -0.362 25411 12260 1 23 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.454 0.866 25411 12261 1 23 . 1 1 47 47 GLN H H 47 6.518 6.518 8.519 -2.001 25411 12262 1 23 . 1 1 48 48 GLU N N 48 117.358 117.358 117.892 -0.534 25411 12263 1 23 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.148 -0.110 25411 12264 1 23 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.575 1.597 25411 12265 1 23 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.066 -1.112 25411 12266 1 23 . 1 1 48 48 GLU H H 48 7.318 7.318 7.683 -0.365 25411 12267 1 23 . 1 1 49 49 GLY N N 49 105.534 105.534 107.878 -2.344 25411 12268 1 23 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.694 1.609 25411 12269 1 23 . 1 1 49 49 GLY H H 49 7.296 7.296 7.865 -0.569 25411 12270 1 23 . 1 1 50 50 THR N N 50 114.069 114.069 113.123 0.946 25411 12271 1 23 . 1 1 50 50 THR HA H 50 4.234 4.234 4.239 -0.005 25411 12272 1 23 . 1 1 50 50 THR CA C 50 61.683 61.683 61.261 0.422 25411 12273 1 23 . 1 1 50 50 THR CB C 50 70.718 70.718 69.877 0.841 25411 12274 1 23 . 1 1 50 50 THR H H 50 7.597 7.597 7.650 -0.053 25411 12275 1 23 . 1 1 51 51 ILE HA H 51 4.125 4.125 3.887 0.238 25411 12276 1 23 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.871 -2.001 25411 12277 1 23 . 1 1 51 51 ILE CB C 51 35.288 35.288 38.657 -3.369 25411 12278 1 23 . 1 1 52 52 ASP N N 52 121.791 121.791 125.682 -3.891 25411 12279 1 23 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.772 -0.149 25411 12280 1 23 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.475 -0.743 25411 12281 1 23 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.284 -1.823 25411 12282 1 23 . 1 1 52 52 ASP H H 52 7.168 7.168 8.058 -0.890 25411 12283 1 23 . 1 1 53 53 ILE N N 53 119.537 119.537 119.037 0.500 25411 12284 1 23 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.629 -0.494 25411 12285 1 23 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.021 -0.225 25411 12286 1 23 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.547 -1.732 25411 12287 1 23 . 1 1 53 53 ILE H H 53 8.336 8.336 8.443 -0.107 25411 12288 1 23 . 1 1 54 54 LYS N N 54 123.592 123.592 121.333 2.259 25411 12289 1 23 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.242 -0.137 25411 12290 1 23 . 1 1 54 54 LYS CA C 54 59.972 59.972 59.300 0.672 25411 12291 1 23 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.146 -0.398 25411 12292 1 23 . 1 1 54 54 LYS H H 54 8.104 8.104 8.037 0.067 25411 12293 1 23 . 1 1 55 55 ARG N N 55 120.511 120.511 119.962 0.549 25411 12294 1 23 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.095 0.206 25411 12295 1 23 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.342 0.561 25411 12296 1 23 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.547 -0.492 25411 12297 1 23 . 1 1 55 55 ARG H H 55 9.196 9.196 8.985 0.211 25411 12298 1 23 . 1 1 56 56 TRP N N 56 120.681 120.681 121.680 -0.999 25411 12299 1 23 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.630 0.073 25411 12300 1 23 . 1 1 56 56 TRP CA C 56 59.406 59.406 59.736 -0.331 25411 12301 1 23 . 1 1 56 56 TRP CB C 56 30.014 30.014 28.699 1.315 25411 12302 1 23 . 1 1 56 56 TRP H H 56 8.899 8.899 7.767 1.132 25411 12303 1 23 . 1 1 57 57 ARG N N 57 122.115 122.115 120.069 2.046 25411 12304 1 23 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.431 0.976 25411 12305 1 23 . 1 1 57 57 ARG CA C 57 60.027 60.027 58.434 1.593 25411 12306 1 23 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.437 0.349 25411 12307 1 23 . 1 1 57 57 ARG H H 57 9.210 9.210 7.984 1.226 25411 12308 1 23 . 1 1 58 58 ARG N N 58 120.918 120.918 119.392 1.526 25411 12309 1 23 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.577 0.268 25411 12310 1 23 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.097 -0.368 25411 12311 1 23 . 1 1 58 58 ARG H H 58 7.640 7.640 7.594 0.046 25411 12312 1 23 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.757 0.007 25411 12313 1 23 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.580 0.420 25411 12314 1 23 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.683 -0.851 25411 12315 1 23 . 1 1 59 59 VAL H H 59 7.916 7.916 7.677 0.239 25411 12316 1 23 . 1 1 60 60 GLY N N 60 106.856 106.856 107.133 -0.277 25411 12317 1 23 . 1 1 60 60 GLY CA C 60 46.081 46.081 46.821 -0.740 25411 12318 1 23 . 1 1 60 60 GLY H H 60 7.623 7.623 8.152 -0.529 25411 12319 1 23 . 1 1 61 61 ASP N N 61 123.308 123.308 122.173 1.135 25411 12320 1 23 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.318 -0.093 25411 12321 1 23 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.187 -0.387 25411 12322 1 23 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.795 -1.311 25411 12323 1 23 . 1 1 61 61 ASP H H 61 8.203 8.203 7.890 0.313 25411 12324 1 23 . 1 1 62 62 CYS N N 62 120.841 120.841 118.399 2.442 25411 12325 1 23 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.074 0.164 25411 12326 1 23 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.408 -1.458 25411 12327 1 23 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.971 -0.468 25411 12328 1 23 . 1 1 62 62 CYS H H 62 7.795 7.795 7.663 0.132 25411 12329 1 23 . 1 1 63 63 PHE N N 63 119.763 119.763 120.347 -0.584 25411 12330 1 23 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.334 -0.056 25411 12331 1 23 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.290 -2.633 25411 12332 1 23 . 1 1 63 63 PHE CB C 63 36.990 36.990 39.353 -2.363 25411 12333 1 23 . 1 1 63 63 PHE H H 63 8.647 8.647 8.044 0.603 25411 12334 1 23 . 1 1 64 64 GLN N N 64 118.578 118.578 119.226 -0.648 25411 12335 1 23 . 1 1 64 64 GLN HA H 64 4.308 4.308 3.617 0.691 25411 12336 1 23 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.493 0.840 25411 12337 1 23 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.012 0.567 25411 12338 1 23 . 1 1 64 64 GLN H H 64 8.261 8.261 8.212 0.049 25411 12339 1 23 . 1 1 65 65 ASP N N 65 119.534 119.534 121.647 -2.113 25411 12340 1 23 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.250 0.234 25411 12341 1 23 . 1 1 65 65 ASP CA C 65 57.329 57.329 56.914 0.415 25411 12342 1 23 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.920 -1.249 25411 12343 1 23 . 1 1 65 65 ASP H H 65 8.338 8.338 8.339 -0.001 25411 12344 1 23 . 1 1 66 66 TYR N N 66 123.600 123.600 122.065 1.535 25411 12345 1 23 . 1 1 66 66 TYR HA H 66 4.502 4.502 4.041 0.461 25411 12346 1 23 . 1 1 66 66 TYR CA C 66 61.231 61.231 61.996 -0.765 25411 12347 1 23 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.306 0.127 25411 12348 1 23 . 1 1 66 66 TYR H H 66 7.804 7.804 8.277 -0.473 25411 12349 1 23 . 1 1 67 67 TYR N N 67 122.825 122.825 118.738 4.087 25411 12350 1 23 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.650 0.347 25411 12351 1 23 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.007 0.896 25411 12352 1 23 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.148 0.798 25411 12353 1 23 . 1 1 67 67 TYR H H 67 9.100 9.100 8.111 0.989 25411 12354 1 23 . 1 1 68 68 ASN N N 68 118.826 118.826 116.588 2.238 25411 12355 1 23 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.120 0.163 25411 12356 1 23 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.441 -0.009 25411 12357 1 23 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.255 -0.379 25411 12358 1 23 . 1 1 68 68 ASN H H 68 8.853 8.853 8.219 0.634 25411 12359 1 23 . 1 1 69 69 THR N N 69 114.242 114.242 113.787 0.455 25411 12360 1 23 . 1 1 69 69 THR HA H 69 3.837 3.837 3.808 0.029 25411 12361 1 23 . 1 1 69 69 THR CA C 69 65.328 65.328 65.576 -0.248 25411 12362 1 23 . 1 1 69 69 THR CB C 69 69.249 69.249 68.392 0.857 25411 12363 1 23 . 1 1 69 69 THR H H 69 7.847 7.847 7.866 -0.019 25411 12364 1 23 . 1 1 70 70 PHE N N 70 117.970 117.970 116.410 1.560 25411 12365 1 23 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.590 -0.026 25411 12366 1 23 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.575 0.667 25411 12367 1 23 . 1 1 70 70 PHE CB C 70 41.074 41.074 39.659 1.415 25411 12368 1 23 . 1 1 70 70 PHE H H 70 8.489 8.489 7.238 1.251 25411 12369 1 23 . 1 1 71 71 GLY N N 71 109.516 109.516 106.932 2.584 25411 12370 1 23 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.614 0.418 25411 12371 1 23 . 1 1 71 71 GLY H H 71 7.968 7.968 8.039 -0.071 25411 12372 1 23 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.369 0.342 25411 12373 1 23 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.440 0.857 25411 12374 1 23 . 1 1 72 72 PRO CB C 72 31.744 31.744 32.130 -0.386 25411 12375 1 23 . 1 1 73 73 GLU N N 73 117.720 117.720 125.193 -7.473 25411 12376 1 23 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.102 -0.203 25411 12377 1 23 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.622 0.114 25411 12378 1 23 . 1 1 73 73 GLU CB C 73 28.863 28.863 30.131 -1.268 25411 12379 1 23 . 1 1 73 73 GLU H H 73 8.586 8.586 8.768 -0.182 25411 12380 1 23 . 1 1 74 74 LYS N N 74 116.974 116.974 117.994 -1.020 25411 12381 1 23 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.445 -0.056 25411 12382 1 23 . 1 1 74 74 LYS CA C 74 55.185 55.185 56.567 -1.382 25411 12383 1 23 . 1 1 74 74 LYS CB C 74 34.087 34.087 33.044 1.042 25411 12384 1 23 . 1 1 74 74 LYS H H 74 7.505 7.505 8.271 -0.766 25411 12385 1 23 . 1 1 75 75 VAL N N 75 117.309 117.309 121.729 -4.420 25411 12386 1 23 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.558 -0.245 25411 12387 1 23 . 1 1 75 75 VAL CA C 75 62.045 62.045 59.813 2.232 25411 12388 1 23 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.616 -0.632 25411 12389 1 23 . 1 1 75 75 VAL H H 75 7.402 7.402 7.872 -0.470 25411 12390 1 23 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.650 -0.088 25411 12391 1 23 . 1 1 76 76 PRO CA C 76 61.687 61.687 63.038 -1.351 25411 12392 1 23 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.660 -0.929 25411 12393 1 23 . 1 1 77 77 VAL N N 77 120.870 120.870 122.479 -1.609 25411 12394 1 23 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.245 -0.417 25411 12395 1 23 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.109 1.729 25411 12396 1 23 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.202 -0.815 25411 12397 1 23 . 1 1 77 77 VAL H H 77 8.473 8.473 8.778 -0.305 25411 12398 1 23 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.864 -0.012 25411 12399 1 23 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.309 -3.184 25411 12400 1 23 . 1 1 78 78 ILE CB C 78 37.135 37.135 37.079 0.056 25411 12401 1 23 . 1 1 78 78 ILE H H 78 8.388 8.388 8.271 0.117 25411 12402 1 23 . 1 1 79 79 ALA N N 79 123.960 123.960 123.733 0.227 25411 12403 1 23 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.534 -0.644 25411 12404 1 23 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.990 -0.101 25411 12405 1 23 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.255 -0.632 25411 12406 1 23 . 1 1 79 79 ALA H H 79 7.953 7.953 7.912 0.041 25411 12407 1 23 . 1 1 80 80 PHE N N 80 114.330 114.330 115.541 -1.211 25411 12408 1 23 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.608 -0.177 25411 12409 1 23 . 1 1 80 80 PHE CA C 80 61.312 61.312 60.110 1.202 25411 12410 1 23 . 1 1 80 80 PHE CB C 80 37.656 37.656 38.986 -1.330 25411 12411 1 23 . 1 1 80 80 PHE H H 80 7.499 7.499 8.326 -0.827 25411 12412 1 23 . 1 1 81 81 SER N N 81 115.971 115.971 113.967 2.004 25411 12413 1 23 . 1 1 81 81 SER HA H 81 4.206 4.206 4.376 -0.170 25411 12414 1 23 . 1 1 81 81 SER CA C 81 58.432 58.432 60.242 -1.810 25411 12415 1 23 . 1 1 81 81 SER CB C 81 63.575 63.575 63.382 0.194 25411 12416 1 23 . 1 1 81 81 SER H H 81 8.225 8.225 7.806 0.419 25411 12417 1 23 . 1 1 82 82 TYR N N 82 121.997 121.997 122.022 -0.025 25411 12418 1 23 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.445 0.002 25411 12419 1 23 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.123 -4.238 25411 12420 1 23 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.674 -0.836 25411 12421 1 23 . 1 1 82 82 TYR H H 82 8.378 8.378 7.442 0.936 25411 12422 1 23 . 1 1 83 83 TRP N N 83 120.268 120.268 121.516 -1.248 25411 12423 1 23 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.780 -5.387 25411 12424 1 23 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.776 -0.882 25411 12425 1 23 . 1 1 83 83 TRP H H 83 8.546 8.546 9.451 -0.905 25411 12426 1 23 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.013 0.207 25411 12427 1 23 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.797 -0.168 25411 12428 1 23 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.811 1.254 25411 12429 1 23 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.367 -0.321 25411 12430 1 23 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.253 0.889 25411 12431 1 23 . 1 1 85 85 LEU CB C 85 41.692 41.692 42.011 -0.319 25411 12432 1 23 . 1 1 86 86 ILE N N 86 117.000 117.000 119.876 -2.876 25411 12433 1 23 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.521 -0.075 25411 12434 1 23 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.597 -2.314 25411 12435 1 23 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.978 -1.566 25411 12436 1 23 . 1 1 86 86 ILE H H 86 7.882 7.882 7.620 0.262 25411 12437 1 23 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.849 -0.623 25411 12438 1 23 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.080 0.916 25411 12439 1 23 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.750 -0.700 25411 12440 1 23 . 1 1 88 88 GLU N N 88 116.404 116.404 117.436 -1.032 25411 12441 1 23 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.377 -0.530 25411 12442 1 23 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.147 0.764 25411 12443 1 23 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.160 -0.192 25411 12444 1 23 . 1 1 88 88 GLU H H 88 7.689 7.689 7.659 0.030 25411 12445 1 23 . 1 1 89 89 LEU N N 89 118.193 118.193 121.439 -3.246 25411 12446 1 23 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.157 -0.268 25411 12447 1 23 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.830 1.133 25411 12448 1 23 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.135 -0.835 25411 12449 1 23 . 1 1 89 89 LEU H H 89 7.415 7.415 7.396 0.019 25411 12450 1 23 . 1 1 90 90 ILE N N 90 115.471 115.471 120.301 -4.830 25411 12451 1 23 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.717 -0.299 25411 12452 1 23 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.107 0.801 25411 12453 1 23 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.684 -0.090 25411 12454 1 23 . 1 1 90 90 ILE H H 90 7.718 7.718 7.633 0.085 25411 12455 1 23 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.497 -0.777 25411 12456 1 23 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.925 0.739 25411 12457 1 23 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.079 0.453 25411 12458 1 23 . 1 1 92 92 LYS N N 92 119.253 119.253 119.260 -0.007 25411 12459 1 23 . 1 1 92 92 LYS CA C 92 58.897 58.897 57.571 1.326 25411 12460 1 23 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.103 -0.115 25411 12461 1 23 . 1 1 92 92 LYS H H 92 7.869 7.869 7.561 0.308 25411 12462 1 23 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.959 0.572 25411 12463 1 23 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.722 -3.464 25411 12464 1 23 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.926 0.243 25411 12465 1 23 . 1 1 94 94 GLU N N 94 116.729 116.729 120.884 -4.155 25411 12466 1 23 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.098 0.035 25411 12467 1 23 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.079 0.240 25411 12468 1 23 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.332 -1.957 25411 12469 1 23 . 1 1 94 94 GLU H H 94 8.393 8.393 8.048 0.345 25411 12470 1 23 . 1 1 95 95 VAL N N 95 121.696 121.696 117.384 4.312 25411 12471 1 23 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.867 0.615 25411 12472 1 23 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.430 3.291 25411 12473 1 23 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.455 1.440 25411 12474 1 23 . 1 1 95 95 VAL H H 95 7.923 7.923 7.609 0.314 25411 12475 1 23 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.761 -0.403 25411 12476 1 23 . 1 1 97 97 PRO CA C 97 62.607 62.607 61.885 0.722 25411 12477 1 23 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.635 -0.761 25411 12478 1 23 . 1 1 98 98 GLN N N 98 117.731 117.731 119.561 -1.830 25411 12479 1 23 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.025 -0.100 25411 12480 1 23 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.354 0.254 25411 12481 1 23 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.923 0.598 25411 12482 1 23 . 1 1 98 98 GLN H H 98 8.359 8.359 8.855 -0.496 25411 12483 1 23 . 1 1 99 99 VAL N N 99 121.326 121.326 117.543 3.783 25411 12484 1 23 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.722 -0.302 25411 12485 1 23 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.362 1.042 25411 12486 1 23 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.518 0.101 25411 12487 1 23 . 1 1 99 99 VAL H H 99 7.901 7.901 8.108 -0.207 25411 12488 1 23 . 1 1 100 100 MET N N 100 120.447 120.447 116.148 4.299 25411 12489 1 23 . 1 1 100 100 MET HA H 100 3.812 3.812 4.429 -0.617 25411 12490 1 23 . 1 1 100 100 MET CA C 100 59.297 59.297 56.205 3.092 25411 12491 1 23 . 1 1 100 100 MET CB C 100 32.099 32.099 32.328 -0.229 25411 12492 1 23 . 1 1 100 100 MET H H 100 7.509 7.509 7.562 -0.053 25411 12493 1 23 . 1 1 101 101 ALA N N 101 119.458 119.458 121.503 -2.045 25411 12494 1 23 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.222 -0.012 25411 12495 1 23 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.391 0.361 25411 12496 1 23 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.544 -1.023 25411 12497 1 23 . 1 1 101 101 ALA H H 101 7.889 7.889 7.615 0.274 25411 12498 1 23 . 1 1 102 102 ALA N N 102 119.627 119.627 121.156 -1.529 25411 12499 1 23 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.147 -0.154 25411 12500 1 23 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.234 0.654 25411 12501 1 23 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.395 -1.051 25411 12502 1 23 . 1 1 102 102 ALA H H 102 7.563 7.563 8.300 -0.737 25411 12503 1 23 . 1 1 103 103 VAL N N 103 122.690 122.690 118.707 3.983 25411 12504 1 23 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.772 0.301 25411 12505 1 23 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.727 -4.042 25411 12506 1 23 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.719 1.503 25411 12507 1 23 . 1 1 103 103 VAL H H 103 8.828 8.828 7.948 0.880 25411 12508 1 23 . 1 1 104 104 ALA N N 104 128.041 128.041 119.072 8.969 25411 12509 1 23 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.156 0.113 25411 12510 1 23 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.617 -2.476 25411 12511 1 23 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.457 0.483 25411 12512 1 23 . 1 1 104 104 ALA H H 104 8.367 8.367 7.551 0.816 25411 12513 1 23 . 1 1 105 105 GLN N N 105 120.265 120.265 115.652 4.613 25411 12514 1 23 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.027 -0.096 25411 12515 1 23 . 1 1 105 105 GLN CB C 105 29.020 29.020 30.023 -1.004 25411 12516 1 23 . 1 1 105 105 GLN H H 105 8.356 8.356 7.966 0.390 25411 12517 1 23 . 1 1 106 106 THR HA H 106 4.320 4.320 4.358 -0.038 25411 12518 1 23 . 1 1 106 106 THR CA C 106 61.346 61.346 63.354 -2.008 25411 12519 1 23 . 1 1 106 106 THR CB C 106 69.293 69.293 68.919 0.374 25411 12520 1 23 . 1 1 107 107 GLU N N 107 122.706 122.706 120.460 2.246 25411 12521 1 23 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.152 0.030 25411 12522 1 23 . 1 1 107 107 GLU CA C 107 56.576 56.576 58.380 -1.804 25411 12523 1 23 . 1 1 107 107 GLU CB C 107 29.936 29.936 30.652 -0.716 25411 12524 1 23 . 1 1 107 107 GLU H H 107 8.404 8.404 7.617 0.787 25411 12525 1 23 . 1 1 108 108 GLU N N 108 122.034 122.034 115.178 6.856 25411 12526 1 23 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.161 -0.000 25411 12527 1 23 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.130 -0.481 25411 12528 1 23 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.854 -0.178 25411 12529 1 23 . 1 1 108 108 GLU H H 108 7.341 7.341 7.710 -0.369 25411 12530 1 23 . 1 1 109 109 ILE N N 109 122.151 122.151 115.435 6.716 25411 12531 1 23 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.346 -0.299 25411 12532 1 23 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.776 -1.211 25411 12533 1 23 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.524 -0.420 25411 12534 1 23 . 1 1 109 109 ILE H H 109 8.058 8.058 8.733 -0.675 25411 12535 1 23 . 1 1 110 110 LEU N N 110 122.427 122.427 121.822 0.605 25411 12536 1 23 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.157 0.119 25411 12537 1 23 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.879 -1.728 25411 12538 1 23 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.983 -8.728 25411 12539 1 23 . 1 1 110 110 LEU H H 110 8.194 8.194 8.024 0.170 25411 12540 1 23 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.194 0.053 25411 12541 1 23 . 1 1 111 111 LYS CA C 111 56.137 56.137 57.977 -1.840 25411 12542 1 23 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.441 0.128 25411 12543 1 23 . 1 1 112 112 SER N N 112 116.453 116.453 114.700 1.753 25411 12544 1 23 . 1 1 112 112 SER HA H 112 4.175 4.175 4.179 -0.004 25411 12545 1 23 . 1 1 112 112 SER CA C 112 58.311 58.311 59.291 -0.980 25411 12546 1 23 . 1 1 112 112 SER CB C 112 63.441 63.441 62.137 1.304 25411 12547 1 23 . 1 1 112 112 SER H H 112 8.204 8.204 7.941 0.263 25411 12548 1 23 . 1 1 113 113 ASN N N 113 119.747 119.747 114.554 5.193 25411 12549 1 23 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.465 0.179 25411 12550 1 23 . 1 1 113 113 ASN CA C 113 53.645 53.645 54.371 -0.726 25411 12551 1 23 . 1 1 113 113 ASN CB C 113 38.646 38.646 38.093 0.553 25411 12552 1 23 . 1 1 113 113 ASN H H 113 7.944 7.944 8.468 -0.524 25411 12553 1 23 . 1 1 114 114 SER N N 114 115.433 115.433 114.246 1.187 25411 12554 1 23 . 1 1 114 114 SER HA H 114 4.336 4.336 4.407 -0.071 25411 12555 1 23 . 1 1 114 114 SER CA C 114 58.711 58.711 57.668 1.043 25411 12556 1 23 . 1 1 114 114 SER CB C 114 63.308 63.308 63.201 0.107 25411 12557 1 23 . 1 1 114 114 SER H H 114 7.962 7.962 8.121 -0.159 25411 12558 1 23 . 1 1 115 115 GLN N N 115 121.682 121.682 118.364 3.318 25411 12559 1 23 . 1 1 115 115 GLN HA H 115 4.274 4.274 3.945 0.329 25411 12560 1 23 . 1 1 115 115 GLN CA C 115 56.193 56.193 58.712 -2.519 25411 12561 1 23 . 1 1 115 115 GLN CB C 115 28.807 28.807 27.729 1.078 25411 12562 1 23 . 1 1 115 115 GLN H H 115 8.207 8.207 8.788 -0.581 25411 12563 1 23 . 1 1 116 116 THR N N 116 114.715 114.715 105.662 9.053 25411 12564 1 23 . 1 1 116 116 THR HA H 116 4.225 4.225 4.612 -0.387 25411 12565 1 23 . 1 1 116 116 THR CA C 116 62.109 62.109 59.743 2.366 25411 12566 1 23 . 1 1 116 116 THR CB C 116 69.336 69.336 71.835 -2.498 25411 12567 1 23 . 1 1 116 116 THR H H 116 8.062 8.062 7.561 0.501 25411 12568 1 23 . 1 1 117 117 ASP N N 117 122.602 122.602 120.297 2.305 25411 12569 1 23 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.357 0.211 25411 12570 1 23 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.137 -1.933 25411 12571 1 23 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.618 0.047 25411 12572 1 23 . 1 1 117 117 ASP H H 117 8.065 8.065 8.814 -0.749 25411 12573 1 23 . 1 1 118 118 LEU N N 118 122.140 122.140 122.143 -0.003 25411 12574 1 23 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.291 -0.136 25411 12575 1 23 . 1 1 118 118 LEU CA C 118 55.423 55.423 54.112 1.311 25411 12576 1 23 . 1 1 118 118 LEU CB C 118 41.873 41.873 40.435 1.438 25411 12577 1 23 . 1 1 118 118 LEU H H 118 8.085 8.085 7.805 0.280 25411 12578 1 23 . 1 1 119 119 GLU N N 119 119.672 119.672 122.860 -3.188 25411 12579 1 23 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.422 -0.354 25411 12580 1 23 . 1 1 119 119 GLU CA C 119 56.565 56.565 56.011 0.554 25411 12581 1 23 . 1 1 119 119 GLU CB C 119 29.572 29.572 28.621 0.951 25411 12582 1 23 . 1 1 119 119 GLU H H 119 8.143 8.143 8.045 0.098 25411 12583 1 23 . 1 1 120 120 HIS N N 120 118.301 118.301 121.867 -3.566 25411 12584 1 23 . 1 1 120 120 HIS CA C 120 55.883 55.883 58.346 -2.463 25411 12585 1 23 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.399 -0.129 25411 12586 1 23 . 1 1 120 120 HIS H H 120 8.107 8.107 8.633 -0.526 25411 12587 1 23 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.777 -0.769 25411 12588 1 23 . 1 1 121 121 HIS CA C 121 55.166 55.166 56.094 -0.928 25411 12589 1 23 . 1 1 121 121 HIS CB C 121 28.759 28.759 31.399 -2.640 25411 12590 1 23 . 1 1 122 122 HIS N N 122 122.407 122.407 117.449 4.958 25411 12591 1 23 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.712 -0.494 25411 12592 1 23 . 1 1 122 122 HIS CA C 122 56.081 56.081 53.783 2.298 25411 12593 1 23 . 1 1 122 122 HIS CB C 122 29.371 29.371 32.071 -2.700 25411 12594 1 23 . 1 1 122 122 HIS H H 122 8.489 8.489 7.435 1.054 25411 12595 1 23 . 1 1 123 123 HIS N N 123 122.868 122.868 117.726 5.142 25411 12596 1 23 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.244 0.143 25411 12597 1 23 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.331 -1.021 25411 12598 1 23 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.209 0.293 25411 12599 1 23 . 1 1 123 123 HIS H H 123 8.596 8.596 8.065 0.531 25411 12600 1 23 . 1 1 124 124 HIS N N 124 123.734 123.734 121.493 2.241 25411 12601 1 23 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.785 -0.228 25411 12602 1 23 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.298 1.087 25411 12603 1 23 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.678 0.680 25411 12604 1 23 . 1 1 124 124 HIS H H 124 8.255 8.255 8.107 0.148 25411 12605 1 24 . 1 1 3 3 GLN N N 3 122.360 122.360 120.121 2.239 25411 12606 1 24 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.300 -0.412 25411 12607 1 24 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.743 1.999 25411 12608 1 24 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.984 -0.601 25411 12609 1 24 . 1 1 3 3 GLN H H 3 9.398 9.398 8.495 0.903 25411 12610 1 24 . 1 1 4 4 GLU N N 4 119.689 119.689 120.152 -0.463 25411 12611 1 24 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.169 0.505 25411 12612 1 24 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.768 0.039 25411 12613 1 24 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.777 -0.077 25411 12614 1 24 . 1 1 4 4 GLU H H 4 7.464 7.464 8.834 -1.370 25411 12615 1 24 . 1 1 5 5 LEU N N 5 114.872 114.872 121.505 -6.633 25411 12616 1 24 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.070 -0.369 25411 12617 1 24 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.044 -0.306 25411 12618 1 24 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.940 -1.125 25411 12619 1 24 . 1 1 5 5 LEU H H 5 8.206 8.206 7.588 0.618 25411 12620 1 24 . 1 1 6 6 SER N N 6 109.762 109.762 113.391 -3.629 25411 12621 1 24 . 1 1 6 6 SER HA H 6 4.092 4.092 4.213 -0.121 25411 12622 1 24 . 1 1 6 6 SER CA C 6 60.415 60.415 61.328 -0.913 25411 12623 1 24 . 1 1 6 6 SER CB C 6 63.391 63.391 62.895 0.496 25411 12624 1 24 . 1 1 6 6 SER H H 6 8.253 8.253 8.320 -0.067 25411 12625 1 24 . 1 1 7 7 GLN N N 7 117.498 117.498 122.793 -5.295 25411 12626 1 24 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.189 -0.234 25411 12627 1 24 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.572 -0.147 25411 12628 1 24 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.978 -0.239 25411 12629 1 24 . 1 1 7 7 GLN H H 7 8.673 8.673 7.916 0.757 25411 12630 1 24 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.284 -0.487 25411 12631 1 24 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.888 -0.833 25411 12632 1 24 . 1 1 8 8 HIS CB C 8 29.109 29.109 29.788 -0.679 25411 12633 1 24 . 1 1 9 9 GLU N N 9 120.354 120.354 119.635 0.719 25411 12634 1 24 . 1 1 9 9 GLU HA H 9 3.959 3.959 3.598 0.361 25411 12635 1 24 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.349 0.909 25411 12636 1 24 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.587 -0.360 25411 12637 1 24 . 1 1 9 9 GLU H H 9 7.690 7.690 8.426 -0.736 25411 12638 1 24 . 1 1 10 10 ARG N N 10 118.753 118.753 119.390 -0.637 25411 12639 1 24 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.049 0.050 25411 12640 1 24 . 1 1 10 10 ARG CA C 10 58.221 58.221 58.296 -0.075 25411 12641 1 24 . 1 1 10 10 ARG CB C 10 29.095 29.095 29.860 -0.765 25411 12642 1 24 . 1 1 10 10 ARG H H 10 8.928 8.928 7.570 1.358 25411 12643 1 24 . 1 1 11 11 TYR N N 11 121.288 121.288 120.163 1.125 25411 12644 1 24 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.218 -0.029 25411 12645 1 24 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.318 -1.082 25411 12646 1 24 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.377 -0.516 25411 12647 1 24 . 1 1 11 11 TYR H H 11 7.562 7.562 8.643 -1.081 25411 12648 1 24 . 1 1 12 12 VAL N N 12 119.304 119.304 119.478 -0.174 25411 12649 1 24 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.598 -0.515 25411 12650 1 24 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.763 0.072 25411 12651 1 24 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.442 -0.343 25411 12652 1 24 . 1 1 12 12 VAL H H 12 8.075 8.075 8.144 -0.069 25411 12653 1 24 . 1 1 13 13 GLU N N 13 119.685 119.685 119.106 0.579 25411 12654 1 24 . 1 1 13 13 GLU HA H 13 4.155 4.155 3.995 0.160 25411 12655 1 24 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.086 0.339 25411 12656 1 24 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.028 0.160 25411 12657 1 24 . 1 1 13 13 GLU H H 13 8.278 8.278 7.640 0.638 25411 12658 1 24 . 1 1 14 14 GLN N N 14 119.682 119.682 120.214 -0.532 25411 12659 1 24 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.039 -0.383 25411 12660 1 24 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.495 1.474 25411 12661 1 24 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.130 1.543 25411 12662 1 24 . 1 1 14 14 GLN H H 14 7.653 7.653 7.989 -0.336 25411 12663 1 24 . 1 1 15 15 LEU N N 15 121.000 121.000 119.731 1.269 25411 12664 1 24 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.047 -0.126 25411 12665 1 24 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.806 0.650 25411 12666 1 24 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.263 -0.503 25411 12667 1 24 . 1 1 15 15 LEU H H 15 8.402 8.402 8.650 -0.248 25411 12668 1 24 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.900 -0.204 25411 12669 1 24 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.056 0.202 25411 12670 1 24 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.235 -0.100 25411 12671 1 24 . 1 1 17 17 GLN N N 17 117.558 117.558 118.437 -0.879 25411 12672 1 24 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.090 -0.203 25411 12673 1 24 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.602 -0.160 25411 12674 1 24 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.812 -0.767 25411 12675 1 24 . 1 1 17 17 GLN H H 17 7.849 7.849 7.705 0.144 25411 12676 1 24 . 1 1 18 18 ALA N N 18 120.288 120.288 123.300 -3.012 25411 12677 1 24 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.160 -0.372 25411 12678 1 24 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.935 -0.042 25411 12679 1 24 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.658 -1.262 25411 12680 1 24 . 1 1 18 18 ALA H H 18 8.504 8.504 8.424 0.080 25411 12681 1 24 . 1 1 19 19 LEU N N 19 116.974 116.974 118.000 -1.026 25411 12682 1 24 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.085 -0.326 25411 12683 1 24 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.828 0.724 25411 12684 1 24 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.683 -0.990 25411 12685 1 24 . 1 1 19 19 LEU H H 19 8.143 8.143 8.527 -0.384 25411 12686 1 24 . 1 1 20 20 LYS N N 20 117.776 117.776 121.320 -3.544 25411 12687 1 24 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.028 -0.073 25411 12688 1 24 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.551 -0.007 25411 12689 1 24 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.353 -1.867 25411 12690 1 24 . 1 1 20 20 LYS H H 20 8.340 8.340 7.803 0.537 25411 12691 1 24 . 1 1 21 21 THR N N 21 116.373 116.373 111.787 4.586 25411 12692 1 24 . 1 1 21 21 THR HA H 21 4.107 4.107 4.234 -0.127 25411 12693 1 24 . 1 1 21 21 THR CA C 21 64.611 64.611 64.564 0.047 25411 12694 1 24 . 1 1 21 21 THR CB C 21 68.811 68.811 68.416 0.395 25411 12695 1 24 . 1 1 21 21 THR H H 21 7.302 7.302 7.840 -0.538 25411 12696 1 24 . 1 1 22 22 ARG N N 22 118.647 118.647 119.599 -0.952 25411 12697 1 24 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.484 -0.122 25411 12698 1 24 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.922 -1.857 25411 12699 1 24 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.219 -1.691 25411 12700 1 24 . 1 1 22 22 ARG H H 22 7.290 7.290 7.648 -0.358 25411 12701 1 24 . 1 1 23 23 GLY N N 23 108.637 108.637 107.573 1.064 25411 12702 1 24 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.979 0.133 25411 12703 1 24 . 1 1 23 23 GLY H H 23 7.881 7.881 7.707 0.174 25411 12704 1 24 . 1 1 24 24 VAL N N 24 117.390 117.390 119.928 -2.538 25411 12705 1 24 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.878 0.136 25411 12706 1 24 . 1 1 24 24 VAL CA C 24 61.668 61.668 63.676 -2.008 25411 12707 1 24 . 1 1 24 24 VAL CB C 24 32.372 32.372 31.634 0.738 25411 12708 1 24 . 1 1 24 24 VAL H H 24 7.333 7.333 7.819 -0.486 25411 12709 1 24 . 1 1 25 25 LYS N N 25 127.322 127.322 115.373 11.949 25411 12710 1 24 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.866 0.466 25411 12711 1 24 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.223 -1.461 25411 12712 1 24 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.468 0.292 25411 12713 1 24 . 1 1 25 25 LYS H H 25 8.722 8.722 7.556 1.166 25411 12714 1 24 . 1 1 26 26 VAL N N 26 120.568 120.568 120.861 -0.293 25411 12715 1 24 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.044 0.034 25411 12716 1 24 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.772 -1.107 25411 12717 1 24 . 1 1 26 26 VAL CB C 26 33.647 33.647 32.378 1.269 25411 12718 1 24 . 1 1 26 26 VAL H H 26 7.119 7.119 8.203 -1.084 25411 12719 1 24 . 1 1 27 27 LYS N N 27 125.675 125.675 128.160 -2.485 25411 12720 1 24 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.419 -0.093 25411 12721 1 24 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.038 0.373 25411 12722 1 24 . 1 1 27 27 LYS CB C 27 31.959 31.959 36.014 -4.055 25411 12723 1 24 . 1 1 27 27 LYS H H 27 8.570 8.570 7.964 0.606 25411 12724 1 24 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.460 -0.443 25411 12725 1 24 . 1 1 28 28 TYR CA C 28 56.412 56.412 59.224 -2.812 25411 12726 1 24 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.927 1.913 25411 12727 1 24 . 1 1 29 29 ALA N N 29 120.743 120.743 128.164 -7.421 25411 12728 1 24 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.105 -0.437 25411 12729 1 24 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.124 -0.446 25411 12730 1 24 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.715 -0.715 25411 12731 1 24 . 1 1 29 29 ALA H H 29 8.323 8.323 8.715 -0.392 25411 12732 1 24 . 1 1 30 30 ASP N N 30 117.202 117.202 118.261 -1.059 25411 12733 1 24 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.382 -0.101 25411 12734 1 24 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.235 0.318 25411 12735 1 24 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.614 0.193 25411 12736 1 24 . 1 1 30 30 ASP H H 30 6.872 6.872 8.725 -1.853 25411 12737 1 24 . 1 1 31 31 LEU N N 31 122.273 122.273 120.070 2.203 25411 12738 1 24 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.415 -0.869 25411 12739 1 24 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.877 -0.152 25411 12740 1 24 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.390 -1.732 25411 12741 1 24 . 1 1 31 31 LEU H H 31 7.433 7.433 7.787 -0.354 25411 12742 1 24 . 1 1 32 32 LEU N N 32 123.376 123.376 117.857 5.519 25411 12743 1 24 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.154 -0.539 25411 12744 1 24 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.833 0.263 25411 12745 1 24 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.733 -1.190 25411 12746 1 24 . 1 1 32 32 LEU H H 32 8.727 8.727 7.890 0.837 25411 12747 1 24 . 1 1 33 33 LYS N N 33 118.078 118.078 120.845 -2.767 25411 12748 1 24 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.034 0.179 25411 12749 1 24 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.643 -0.545 25411 12750 1 24 . 1 1 33 33 LYS CB C 33 31.890 31.890 31.889 0.001 25411 12751 1 24 . 1 1 33 33 LYS H H 33 7.149 7.149 7.722 -0.573 25411 12752 1 24 . 1 1 34 34 PHE N N 34 117.398 117.398 120.646 -3.248 25411 12753 1 24 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.657 -4.962 25411 12754 1 24 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.110 2.109 25411 12755 1 24 . 1 1 34 34 PHE H H 34 7.633 7.633 7.841 -0.208 25411 12756 1 24 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.031 -0.238 25411 12757 1 24 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.737 -0.145 25411 12758 1 24 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.307 -2.293 25411 12759 1 24 . 1 1 36 36 ASP N N 36 120.136 120.136 120.007 0.129 25411 12760 1 24 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.583 -0.487 25411 12761 1 24 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.584 -0.643 25411 12762 1 24 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.964 -1.860 25411 12763 1 24 . 1 1 36 36 ASP H H 36 8.330 8.330 8.728 -0.398 25411 12764 1 24 . 1 1 37 37 PHE N N 37 121.883 121.883 118.880 3.003 25411 12765 1 24 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.555 -0.297 25411 12766 1 24 . 1 1 37 37 PHE CA C 37 59.698 59.698 60.863 -1.165 25411 12767 1 24 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.085 1.100 25411 12768 1 24 . 1 1 37 37 PHE H H 37 7.794 7.794 8.583 -0.789 25411 12769 1 24 . 1 1 38 38 VAL N N 38 118.525 118.525 119.493 -0.968 25411 12770 1 24 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.728 -0.689 25411 12771 1 24 . 1 1 38 38 VAL CA C 38 66.882 66.882 65.671 1.211 25411 12772 1 24 . 1 1 38 38 VAL CB C 38 30.688 30.688 30.864 -0.176 25411 12773 1 24 . 1 1 38 38 VAL H H 38 8.262 8.262 7.733 0.529 25411 12774 1 24 . 1 1 39 39 LYS HA H 39 3.456 3.456 4.020 -0.564 25411 12775 1 24 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.276 -0.223 25411 12776 1 24 . 1 1 39 39 LYS CB C 39 31.696 31.696 32.081 -0.385 25411 12777 1 24 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.526 -0.081 25411 12778 1 24 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.179 0.806 25411 12779 1 24 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.859 -1.167 25411 12780 1 24 . 1 1 41 41 ILE N N 41 120.641 120.641 116.565 4.076 25411 12781 1 24 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.004 0.021 25411 12782 1 24 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.149 -2.497 25411 12783 1 24 . 1 1 41 41 ILE CB C 41 38.064 38.064 39.374 -1.310 25411 12784 1 24 . 1 1 41 41 ILE H H 41 8.788 8.788 8.256 0.532 25411 12785 1 24 . 1 1 42 42 CYS N N 42 117.896 117.896 113.216 4.680 25411 12786 1 24 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.037 1.135 25411 12787 1 24 . 1 1 42 42 CYS CB C 42 28.324 28.324 27.814 0.510 25411 12788 1 24 . 1 1 42 42 CYS H H 42 7.180 7.180 7.652 -0.472 25411 12789 1 24 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.256 0.059 25411 12790 1 24 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.927 0.076 25411 12791 1 24 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.769 -1.054 25411 12792 1 24 . 1 1 44 44 TRP N N 44 113.823 113.823 119.402 -5.579 25411 12793 1 24 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.526 -0.221 25411 12794 1 24 . 1 1 44 44 TRP CA C 44 55.398 55.398 58.696 -3.298 25411 12795 1 24 . 1 1 44 44 TRP CB C 44 27.811 27.811 30.017 -2.206 25411 12796 1 24 . 1 1 44 44 TRP H H 44 6.591 6.591 8.124 -1.533 25411 12797 1 24 . 1 1 45 45 PHE N N 45 123.100 123.100 118.065 5.035 25411 12798 1 24 . 1 1 45 45 PHE HA H 45 4.001 4.001 4.937 -0.936 25411 12799 1 24 . 1 1 45 45 PHE CA C 45 62.809 62.809 53.637 9.172 25411 12800 1 24 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.584 -3.649 25411 12801 1 24 . 1 1 45 45 PHE H H 45 7.239 7.239 7.947 -0.708 25411 12802 1 24 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.178 -0.166 25411 12803 1 24 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.626 -0.095 25411 12804 1 24 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.747 -1.260 25411 12805 1 24 . 1 1 47 47 GLN N N 47 114.502 114.502 116.926 -2.424 25411 12806 1 24 . 1 1 47 47 GLN HA H 47 3.937 3.937 3.855 0.082 25411 12807 1 24 . 1 1 47 47 GLN CA C 47 58.404 58.404 57.992 0.412 25411 12808 1 24 . 1 1 47 47 GLN CB C 47 28.320 28.320 26.618 1.702 25411 12809 1 24 . 1 1 47 47 GLN H H 47 6.518 6.518 8.192 -1.674 25411 12810 1 24 . 1 1 48 48 GLU N N 48 117.358 117.358 118.134 -0.776 25411 12811 1 24 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.227 -0.189 25411 12812 1 24 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.750 1.422 25411 12813 1 24 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.270 -1.316 25411 12814 1 24 . 1 1 48 48 GLU H H 48 7.318 7.318 7.829 -0.511 25411 12815 1 24 . 1 1 49 49 GLY N N 49 105.534 105.534 107.471 -1.937 25411 12816 1 24 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.925 1.378 25411 12817 1 24 . 1 1 49 49 GLY H H 49 7.296 7.296 7.582 -0.286 25411 12818 1 24 . 1 1 50 50 THR N N 50 114.069 114.069 112.750 1.319 25411 12819 1 24 . 1 1 50 50 THR HA H 50 4.234 4.234 4.398 -0.164 25411 12820 1 24 . 1 1 50 50 THR CA C 50 61.683 61.683 60.077 1.606 25411 12821 1 24 . 1 1 50 50 THR CB C 50 70.718 70.718 70.943 -0.225 25411 12822 1 24 . 1 1 50 50 THR H H 50 7.597 7.597 7.311 0.286 25411 12823 1 24 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.339 -0.214 25411 12824 1 24 . 1 1 51 51 ILE CA C 51 59.870 59.870 60.935 -1.065 25411 12825 1 24 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.625 -4.337 25411 12826 1 24 . 1 1 52 52 ASP N N 52 121.791 121.791 127.458 -5.667 25411 12827 1 24 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.748 -0.125 25411 12828 1 24 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.934 -1.202 25411 12829 1 24 . 1 1 52 52 ASP CB C 52 42.461 42.461 42.981 -0.520 25411 12830 1 24 . 1 1 52 52 ASP H H 52 7.168 7.168 8.146 -0.978 25411 12831 1 24 . 1 1 53 53 ILE N N 53 119.537 119.537 117.928 1.609 25411 12832 1 24 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.277 -0.142 25411 12833 1 24 . 1 1 53 53 ILE CA C 53 61.796 61.796 61.847 -0.051 25411 12834 1 24 . 1 1 53 53 ILE CB C 53 37.815 37.815 40.154 -2.339 25411 12835 1 24 . 1 1 53 53 ILE H H 53 8.336 8.336 8.231 0.105 25411 12836 1 24 . 1 1 54 54 LYS N N 54 123.592 123.592 121.746 1.846 25411 12837 1 24 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.219 -0.114 25411 12838 1 24 . 1 1 54 54 LYS CA C 54 59.972 59.972 59.941 0.031 25411 12839 1 24 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.318 -0.570 25411 12840 1 24 . 1 1 54 54 LYS H H 54 8.104 8.104 8.117 -0.013 25411 12841 1 24 . 1 1 55 55 ARG N N 55 120.511 120.511 119.943 0.568 25411 12842 1 24 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.070 0.231 25411 12843 1 24 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.499 0.404 25411 12844 1 24 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.163 -0.107 25411 12845 1 24 . 1 1 55 55 ARG H H 55 9.196 9.196 9.002 0.194 25411 12846 1 24 . 1 1 56 56 TRP N N 56 120.681 120.681 122.601 -1.920 25411 12847 1 24 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.695 0.008 25411 12848 1 24 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.931 -1.525 25411 12849 1 24 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.411 0.603 25411 12850 1 24 . 1 1 56 56 TRP H H 56 8.899 8.899 9.039 -0.140 25411 12851 1 24 . 1 1 57 57 ARG N N 57 122.115 122.115 119.141 2.974 25411 12852 1 24 . 1 1 57 57 ARG HA H 57 4.407 4.407 4.221 0.186 25411 12853 1 24 . 1 1 57 57 ARG CA C 57 60.027 60.027 58.605 1.422 25411 12854 1 24 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.740 0.046 25411 12855 1 24 . 1 1 57 57 ARG H H 57 9.210 9.210 8.301 0.909 25411 12856 1 24 . 1 1 58 58 ARG N N 58 120.918 120.918 119.900 1.018 25411 12857 1 24 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.632 0.213 25411 12858 1 24 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.148 -0.419 25411 12859 1 24 . 1 1 58 58 ARG H H 58 7.640 7.640 7.788 -0.148 25411 12860 1 24 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.687 0.077 25411 12861 1 24 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.171 0.829 25411 12862 1 24 . 1 1 59 59 VAL CB C 59 30.832 30.832 30.984 -0.152 25411 12863 1 24 . 1 1 59 59 VAL H H 59 7.916 7.916 7.894 0.022 25411 12864 1 24 . 1 1 60 60 GLY N N 60 106.856 106.856 107.500 -0.644 25411 12865 1 24 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.034 -0.953 25411 12866 1 24 . 1 1 60 60 GLY H H 60 7.623 7.623 8.296 -0.673 25411 12867 1 24 . 1 1 61 61 ASP N N 61 123.308 123.308 123.406 -0.098 25411 12868 1 24 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.753 -0.528 25411 12869 1 24 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.830 -0.030 25411 12870 1 24 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.716 -1.232 25411 12871 1 24 . 1 1 61 61 ASP H H 61 8.203 8.203 8.088 0.115 25411 12872 1 24 . 1 1 62 62 CYS N N 62 120.841 120.841 118.565 2.276 25411 12873 1 24 . 1 1 62 62 CYS HA H 62 4.238 4.238 3.976 0.262 25411 12874 1 24 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.159 -1.209 25411 12875 1 24 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.656 -0.153 25411 12876 1 24 . 1 1 62 62 CYS H H 62 7.795 7.795 7.453 0.342 25411 12877 1 24 . 1 1 63 63 PHE N N 63 119.763 119.763 118.185 1.578 25411 12878 1 24 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.309 -0.031 25411 12879 1 24 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.111 -2.454 25411 12880 1 24 . 1 1 63 63 PHE CB C 63 36.990 36.990 37.710 -0.720 25411 12881 1 24 . 1 1 63 63 PHE H H 63 8.647 8.647 7.512 1.135 25411 12882 1 24 . 1 1 64 64 GLN N N 64 118.578 118.578 119.946 -1.368 25411 12883 1 24 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.110 0.198 25411 12884 1 24 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.878 0.455 25411 12885 1 24 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.468 0.111 25411 12886 1 24 . 1 1 64 64 GLN H H 64 8.261 8.261 8.375 -0.114 25411 12887 1 24 . 1 1 65 65 ASP N N 65 119.534 119.534 121.519 -1.985 25411 12888 1 24 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.374 0.110 25411 12889 1 24 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.239 0.090 25411 12890 1 24 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.951 -1.280 25411 12891 1 24 . 1 1 65 65 ASP H H 65 8.338 8.338 8.548 -0.210 25411 12892 1 24 . 1 1 66 66 TYR N N 66 123.600 123.600 121.974 1.626 25411 12893 1 24 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.936 0.566 25411 12894 1 24 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.052 -0.821 25411 12895 1 24 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.542 -0.109 25411 12896 1 24 . 1 1 66 66 TYR H H 66 7.804 7.804 8.272 -0.468 25411 12897 1 24 . 1 1 67 67 TYR N N 67 122.825 122.825 118.003 4.822 25411 12898 1 24 . 1 1 67 67 TYR HA H 67 3.997 3.997 4.262 -0.265 25411 12899 1 24 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.599 0.304 25411 12900 1 24 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.719 0.227 25411 12901 1 24 . 1 1 67 67 TYR H H 67 9.100 9.100 8.245 0.855 25411 12902 1 24 . 1 1 68 68 ASN N N 68 118.826 118.826 117.628 1.198 25411 12903 1 24 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.349 -0.066 25411 12904 1 24 . 1 1 68 68 ASN CA C 68 55.432 55.432 56.345 -0.913 25411 12905 1 24 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.343 -0.467 25411 12906 1 24 . 1 1 68 68 ASN H H 68 8.853 8.853 8.563 0.290 25411 12907 1 24 . 1 1 69 69 THR N N 69 114.242 114.242 115.360 -1.118 25411 12908 1 24 . 1 1 69 69 THR HA H 69 3.837 3.837 4.058 -0.221 25411 12909 1 24 . 1 1 69 69 THR CA C 69 65.328 65.328 65.284 0.044 25411 12910 1 24 . 1 1 69 69 THR CB C 69 69.249 69.249 68.151 1.098 25411 12911 1 24 . 1 1 69 69 THR H H 69 7.847 7.847 8.167 -0.320 25411 12912 1 24 . 1 1 70 70 PHE N N 70 117.970 117.970 118.187 -0.217 25411 12913 1 24 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.391 0.173 25411 12914 1 24 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.041 0.201 25411 12915 1 24 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.452 2.622 25411 12916 1 24 . 1 1 70 70 PHE H H 70 8.489 8.489 7.150 1.339 25411 12917 1 24 . 1 1 71 71 GLY N N 71 109.516 109.516 108.259 1.257 25411 12918 1 24 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.805 0.227 25411 12919 1 24 . 1 1 71 71 GLY H H 71 7.968 7.968 7.510 0.458 25411 12920 1 24 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.396 0.315 25411 12921 1 24 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.203 1.094 25411 12922 1 24 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.286 0.458 25411 12923 1 24 . 1 1 73 73 GLU N N 73 117.720 117.720 126.700 -8.980 25411 12924 1 24 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.046 -0.147 25411 12925 1 24 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.661 0.075 25411 12926 1 24 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.572 -0.709 25411 12927 1 24 . 1 1 73 73 GLU H H 73 8.586 8.586 8.442 0.144 25411 12928 1 24 . 1 1 74 74 LYS N N 74 116.974 116.974 119.026 -2.052 25411 12929 1 24 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.406 -0.017 25411 12930 1 24 . 1 1 74 74 LYS CA C 74 55.185 55.185 54.651 0.534 25411 12931 1 24 . 1 1 74 74 LYS CB C 74 34.087 34.087 31.091 2.996 25411 12932 1 24 . 1 1 74 74 LYS H H 74 7.505 7.505 8.130 -0.625 25411 12933 1 24 . 1 1 75 75 VAL N N 75 117.309 117.309 124.008 -6.699 25411 12934 1 24 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.221 0.092 25411 12935 1 24 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.907 1.139 25411 12936 1 24 . 1 1 75 75 VAL CB C 75 31.984 31.984 31.858 0.126 25411 12937 1 24 . 1 1 75 75 VAL H H 75 7.402 7.402 7.408 -0.006 25411 12938 1 24 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.555 0.007 25411 12939 1 24 . 1 1 76 76 PRO CA C 76 61.687 61.687 63.022 -1.335 25411 12940 1 24 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.731 -1.000 25411 12941 1 24 . 1 1 77 77 VAL N N 77 120.870 120.870 120.842 0.028 25411 12942 1 24 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.174 -0.346 25411 12943 1 24 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.427 1.411 25411 12944 1 24 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.102 -0.715 25411 12945 1 24 . 1 1 77 77 VAL H H 77 8.473 8.473 8.855 -0.382 25411 12946 1 24 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.917 -0.065 25411 12947 1 24 . 1 1 78 78 ILE CA C 78 61.125 61.125 63.970 -2.845 25411 12948 1 24 . 1 1 78 78 ILE CB C 78 37.135 37.135 37.012 0.123 25411 12949 1 24 . 1 1 78 78 ILE H H 78 8.388 8.388 7.938 0.450 25411 12950 1 24 . 1 1 79 79 ALA N N 79 123.960 123.960 123.920 0.040 25411 12951 1 24 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.022 -0.132 25411 12952 1 24 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.656 0.233 25411 12953 1 24 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.229 -0.606 25411 12954 1 24 . 1 1 79 79 ALA H H 79 7.953 7.953 8.036 -0.083 25411 12955 1 24 . 1 1 80 80 PHE N N 80 114.330 114.330 115.987 -1.657 25411 12956 1 24 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.571 -0.140 25411 12957 1 24 . 1 1 80 80 PHE CA C 80 61.312 61.312 60.019 1.293 25411 12958 1 24 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.310 -1.654 25411 12959 1 24 . 1 1 80 80 PHE H H 80 7.499 7.499 8.433 -0.934 25411 12960 1 24 . 1 1 81 81 SER N N 81 115.971 115.971 115.016 0.955 25411 12961 1 24 . 1 1 81 81 SER HA H 81 4.206 4.206 4.441 -0.235 25411 12962 1 24 . 1 1 81 81 SER CA C 81 58.432 58.432 59.908 -1.476 25411 12963 1 24 . 1 1 81 81 SER CB C 81 63.575 63.575 63.541 0.034 25411 12964 1 24 . 1 1 81 81 SER H H 81 8.225 8.225 7.568 0.657 25411 12965 1 24 . 1 1 82 82 TYR N N 82 121.997 121.997 123.368 -1.371 25411 12966 1 24 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.413 0.034 25411 12967 1 24 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.522 -4.637 25411 12968 1 24 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.804 -0.966 25411 12969 1 24 . 1 1 82 82 TYR H H 82 8.378 8.378 7.621 0.757 25411 12970 1 24 . 1 1 83 83 TRP N N 83 120.268 120.268 121.297 -1.029 25411 12971 1 24 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.106 -4.713 25411 12972 1 24 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.814 -0.920 25411 12973 1 24 . 1 1 83 83 TRP H H 83 8.546 8.546 9.356 -0.810 25411 12974 1 24 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.278 -0.058 25411 12975 1 24 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.401 0.228 25411 12976 1 24 . 1 1 84 84 ASN CB C 84 39.065 39.065 38.032 1.033 25411 12977 1 24 . 1 1 85 85 LEU HA H 85 4.046 4.046 3.954 0.092 25411 12978 1 24 . 1 1 85 85 LEU CA C 85 58.142 58.142 56.901 1.241 25411 12979 1 24 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.676 0.016 25411 12980 1 24 . 1 1 86 86 ILE N N 86 117.000 117.000 120.363 -3.363 25411 12981 1 24 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.323 0.123 25411 12982 1 24 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.681 -2.398 25411 12983 1 24 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.569 -1.157 25411 12984 1 24 . 1 1 86 86 ILE H H 86 7.882 7.882 7.564 0.318 25411 12985 1 24 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.605 -0.379 25411 12986 1 24 . 1 1 87 87 LYS CA C 87 59.996 59.996 58.902 1.094 25411 12987 1 24 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.510 -0.460 25411 12988 1 24 . 1 1 88 88 GLU N N 88 116.404 116.404 116.948 -0.544 25411 12989 1 24 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.289 -0.442 25411 12990 1 24 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.169 0.742 25411 12991 1 24 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.244 -0.275 25411 12992 1 24 . 1 1 88 88 GLU H H 88 7.689 7.689 7.616 0.073 25411 12993 1 24 . 1 1 89 89 LEU N N 89 118.193 118.193 122.109 -3.916 25411 12994 1 24 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.151 -0.262 25411 12995 1 24 . 1 1 89 89 LEU CA C 89 57.963 57.963 57.184 0.779 25411 12996 1 24 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.126 -0.826 25411 12997 1 24 . 1 1 89 89 LEU H H 89 7.415 7.415 7.662 -0.247 25411 12998 1 24 . 1 1 90 90 ILE N N 90 115.471 115.471 120.510 -5.039 25411 12999 1 24 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.665 -0.247 25411 13000 1 24 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.112 0.796 25411 13001 1 24 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.486 0.108 25411 13002 1 24 . 1 1 90 90 ILE H H 90 7.718 7.718 7.544 0.174 25411 13003 1 24 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.475 -0.755 25411 13004 1 24 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.943 0.721 25411 13005 1 24 . 1 1 91 91 ASP CB C 91 40.532 40.532 39.971 0.561 25411 13006 1 24 . 1 1 92 92 LYS N N 92 119.253 119.253 118.590 0.663 25411 13007 1 24 . 1 1 92 92 LYS CA C 92 58.897 58.897 55.788 3.109 25411 13008 1 24 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.033 -0.045 25411 13009 1 24 . 1 1 92 92 LYS H H 92 7.869 7.869 7.663 0.206 25411 13010 1 24 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.015 0.516 25411 13011 1 24 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.967 -3.709 25411 13012 1 24 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.842 0.327 25411 13013 1 24 . 1 1 94 94 GLU N N 94 116.729 116.729 120.927 -4.198 25411 13014 1 24 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.079 0.054 25411 13015 1 24 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.173 0.146 25411 13016 1 24 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.312 -1.937 25411 13017 1 24 . 1 1 94 94 GLU H H 94 8.393 8.393 7.785 0.608 25411 13018 1 24 . 1 1 95 95 VAL N N 95 121.696 121.696 117.176 4.520 25411 13019 1 24 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.886 0.596 25411 13020 1 24 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.417 3.304 25411 13021 1 24 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.558 1.336 25411 13022 1 24 . 1 1 95 95 VAL H H 95 7.923 7.923 7.800 0.123 25411 13023 1 24 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.736 -0.378 25411 13024 1 24 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.005 0.602 25411 13025 1 24 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.686 -0.812 25411 13026 1 24 . 1 1 98 98 GLN N N 98 117.731 117.731 119.877 -2.146 25411 13027 1 24 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.083 -0.158 25411 13028 1 24 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.636 -0.028 25411 13029 1 24 . 1 1 98 98 GLN CB C 98 28.521 28.521 28.064 0.457 25411 13030 1 24 . 1 1 98 98 GLN H H 98 8.359 8.359 8.935 -0.576 25411 13031 1 24 . 1 1 99 99 VAL N N 99 121.326 121.326 118.029 3.297 25411 13032 1 24 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.785 -0.365 25411 13033 1 24 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.980 0.424 25411 13034 1 24 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.565 0.054 25411 13035 1 24 . 1 1 99 99 VAL H H 99 7.901 7.901 8.139 -0.238 25411 13036 1 24 . 1 1 100 100 MET N N 100 120.447 120.447 116.457 3.990 25411 13037 1 24 . 1 1 100 100 MET HA H 100 3.812 3.812 4.339 -0.527 25411 13038 1 24 . 1 1 100 100 MET CA C 100 59.297 59.297 58.220 1.077 25411 13039 1 24 . 1 1 100 100 MET CB C 100 32.099 32.099 33.089 -0.990 25411 13040 1 24 . 1 1 100 100 MET H H 100 7.509 7.509 7.529 -0.020 25411 13041 1 24 . 1 1 101 101 ALA N N 101 119.458 119.458 121.559 -2.101 25411 13042 1 24 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.131 0.079 25411 13043 1 24 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.386 0.366 25411 13044 1 24 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.486 -0.966 25411 13045 1 24 . 1 1 101 101 ALA H H 101 7.889 7.889 7.580 0.309 25411 13046 1 24 . 1 1 102 102 ALA N N 102 119.627 119.627 121.003 -1.376 25411 13047 1 24 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.165 -0.172 25411 13048 1 24 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.489 0.400 25411 13049 1 24 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.448 -1.103 25411 13050 1 24 . 1 1 102 102 ALA H H 102 7.563 7.563 8.312 -0.749 25411 13051 1 24 . 1 1 103 103 VAL N N 103 122.690 122.690 118.274 4.416 25411 13052 1 24 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.876 0.197 25411 13053 1 24 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.884 -4.199 25411 13054 1 24 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.097 2.125 25411 13055 1 24 . 1 1 103 103 VAL H H 103 8.828 8.828 7.977 0.851 25411 13056 1 24 . 1 1 104 104 ALA N N 104 128.041 128.041 120.459 7.582 25411 13057 1 24 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.179 0.090 25411 13058 1 24 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.542 -2.401 25411 13059 1 24 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.362 0.578 25411 13060 1 24 . 1 1 104 104 ALA H H 104 8.367 8.367 7.598 0.769 25411 13061 1 24 . 1 1 105 105 GLN N N 105 120.265 120.265 116.523 3.742 25411 13062 1 24 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.057 -0.126 25411 13063 1 24 . 1 1 105 105 GLN CB C 105 29.020 29.020 29.651 -0.631 25411 13064 1 24 . 1 1 105 105 GLN H H 105 8.356 8.356 7.913 0.443 25411 13065 1 24 . 1 1 106 106 THR HA H 106 4.320 4.320 4.263 0.057 25411 13066 1 24 . 1 1 106 106 THR CA C 106 61.346 61.346 64.996 -3.650 25411 13067 1 24 . 1 1 106 106 THR CB C 106 69.293 69.293 68.937 0.356 25411 13068 1 24 . 1 1 107 107 GLU N N 107 122.706 122.706 119.903 2.803 25411 13069 1 24 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.356 -0.174 25411 13070 1 24 . 1 1 107 107 GLU CA C 107 56.576 56.576 56.938 -0.362 25411 13071 1 24 . 1 1 107 107 GLU CB C 107 29.936 29.936 31.165 -1.229 25411 13072 1 24 . 1 1 107 107 GLU H H 107 8.404 8.404 7.584 0.820 25411 13073 1 24 . 1 1 108 108 GLU N N 108 122.034 122.034 115.376 6.658 25411 13074 1 24 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.086 0.075 25411 13075 1 24 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.229 -0.580 25411 13076 1 24 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.617 0.059 25411 13077 1 24 . 1 1 108 108 GLU H H 108 7.341 7.341 7.675 -0.334 25411 13078 1 24 . 1 1 109 109 ILE N N 109 122.151 122.151 115.548 6.603 25411 13079 1 24 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.250 -0.203 25411 13080 1 24 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.931 -1.366 25411 13081 1 24 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.312 -0.208 25411 13082 1 24 . 1 1 109 109 ILE H H 109 8.058 8.058 8.697 -0.639 25411 13083 1 24 . 1 1 110 110 LEU N N 110 122.427 122.427 121.619 0.808 25411 13084 1 24 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.156 0.120 25411 13085 1 24 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.835 -1.684 25411 13086 1 24 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.981 -8.726 25411 13087 1 24 . 1 1 110 110 LEU H H 110 8.194 8.194 8.117 0.077 25411 13088 1 24 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.216 0.031 25411 13089 1 24 . 1 1 111 111 LYS CA C 111 56.137 56.137 57.802 -1.665 25411 13090 1 24 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.421 0.148 25411 13091 1 24 . 1 1 112 112 SER N N 112 116.453 116.453 113.421 3.032 25411 13092 1 24 . 1 1 112 112 SER HA H 112 4.175 4.175 4.095 0.080 25411 13093 1 24 . 1 1 112 112 SER CA C 112 58.311 58.311 60.402 -2.091 25411 13094 1 24 . 1 1 112 112 SER CB C 112 63.441 63.441 62.351 1.090 25411 13095 1 24 . 1 1 112 112 SER H H 112 8.204 8.204 8.236 -0.032 25411 13096 1 24 . 1 1 113 113 ASN N N 113 119.747 119.747 116.706 3.041 25411 13097 1 24 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.811 -0.167 25411 13098 1 24 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.571 1.074 25411 13099 1 24 . 1 1 113 113 ASN CB C 113 38.646 38.646 38.976 -0.330 25411 13100 1 24 . 1 1 113 113 ASN H H 113 7.944 7.944 7.816 0.128 25411 13101 1 24 . 1 1 114 114 SER N N 114 115.433 115.433 114.651 0.782 25411 13102 1 24 . 1 1 114 114 SER HA H 114 4.336 4.336 4.491 -0.155 25411 13103 1 24 . 1 1 114 114 SER CA C 114 58.711 58.711 59.289 -0.578 25411 13104 1 24 . 1 1 114 114 SER CB C 114 63.308 63.308 62.349 0.959 25411 13105 1 24 . 1 1 114 114 SER H H 114 7.962 7.962 8.630 -0.668 25411 13106 1 24 . 1 1 115 115 GLN N N 115 121.682 121.682 120.004 1.678 25411 13107 1 24 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.628 -0.354 25411 13108 1 24 . 1 1 115 115 GLN CA C 115 56.193 56.193 54.951 1.242 25411 13109 1 24 . 1 1 115 115 GLN CB C 115 28.807 28.807 31.921 -3.114 25411 13110 1 24 . 1 1 115 115 GLN H H 115 8.207 8.207 8.212 -0.005 25411 13111 1 24 . 1 1 116 116 THR N N 116 114.715 114.715 110.746 3.969 25411 13112 1 24 . 1 1 116 116 THR HA H 116 4.225 4.225 4.823 -0.598 25411 13113 1 24 . 1 1 116 116 THR CA C 116 62.109 62.109 60.371 1.738 25411 13114 1 24 . 1 1 116 116 THR CB C 116 69.336 69.336 71.989 -2.653 25411 13115 1 24 . 1 1 116 116 THR H H 116 8.062 8.062 7.908 0.154 25411 13116 1 24 . 1 1 117 117 ASP N N 117 122.602 122.602 122.574 0.028 25411 13117 1 24 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.365 0.203 25411 13118 1 24 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.844 -2.640 25411 13119 1 24 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.075 0.590 25411 13120 1 24 . 1 1 117 117 ASP H H 117 8.065 8.065 8.951 -0.886 25411 13121 1 24 . 1 1 118 118 LEU N N 118 122.140 122.140 119.850 2.290 25411 13122 1 24 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.517 -0.362 25411 13123 1 24 . 1 1 118 118 LEU CA C 118 55.423 55.423 53.953 1.470 25411 13124 1 24 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.794 0.079 25411 13125 1 24 . 1 1 118 118 LEU H H 118 8.085 8.085 7.757 0.328 25411 13126 1 24 . 1 1 119 119 GLU N N 119 119.672 119.672 116.910 2.762 25411 13127 1 24 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.961 0.107 25411 13128 1 24 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.057 -0.492 25411 13129 1 24 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.638 1.934 25411 13130 1 24 . 1 1 119 119 GLU H H 119 8.143 8.143 7.616 0.527 25411 13131 1 24 . 1 1 120 120 HIS N N 120 118.301 118.301 116.249 2.052 25411 13132 1 24 . 1 1 120 120 HIS CA C 120 55.883 55.883 57.512 -1.629 25411 13133 1 24 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.102 0.168 25411 13134 1 24 . 1 1 120 120 HIS H H 120 8.107 8.107 8.529 -0.422 25411 13135 1 24 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.739 -0.731 25411 13136 1 24 . 1 1 121 121 HIS CA C 121 55.166 55.166 56.353 -1.187 25411 13137 1 24 . 1 1 121 121 HIS CB C 121 28.759 28.759 30.962 -2.203 25411 13138 1 24 . 1 1 122 122 HIS N N 122 122.407 122.407 116.978 5.429 25411 13139 1 24 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.771 -0.553 25411 13140 1 24 . 1 1 122 122 HIS CA C 122 56.081 56.081 53.701 2.380 25411 13141 1 24 . 1 1 122 122 HIS CB C 122 29.371 29.371 33.738 -4.367 25411 13142 1 24 . 1 1 122 122 HIS H H 122 8.489 8.489 7.903 0.586 25411 13143 1 24 . 1 1 123 123 HIS N N 123 122.868 122.868 117.962 4.906 25411 13144 1 24 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.188 0.199 25411 13145 1 24 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.459 -0.149 25411 13146 1 24 . 1 1 123 123 HIS CB C 123 29.502 29.502 28.957 0.545 25411 13147 1 24 . 1 1 123 123 HIS H H 123 8.596 8.596 7.995 0.601 25411 13148 1 24 . 1 1 124 124 HIS N N 124 123.734 123.734 121.192 2.542 25411 13149 1 24 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.895 -0.338 25411 13150 1 24 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.256 1.129 25411 13151 1 24 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.878 0.480 25411 13152 1 24 . 1 1 124 124 HIS H H 124 8.255 8.255 8.108 0.147 25411 13153 1 25 . 1 1 3 3 GLN N N 3 122.360 122.360 121.042 1.318 25411 13154 1 25 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.338 -0.450 25411 13155 1 25 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.960 1.782 25411 13156 1 25 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.297 0.086 25411 13157 1 25 . 1 1 3 3 GLN H H 3 9.398 9.398 8.763 0.635 25411 13158 1 25 . 1 1 4 4 GLU N N 4 119.689 119.689 119.745 -0.056 25411 13159 1 25 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.189 0.485 25411 13160 1 25 . 1 1 4 4 GLU CA C 4 57.807 57.807 58.323 -0.516 25411 13161 1 25 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.736 -0.036 25411 13162 1 25 . 1 1 4 4 GLU H H 4 7.464 7.464 8.905 -1.442 25411 13163 1 25 . 1 1 5 5 LEU N N 5 114.872 114.872 122.362 -7.490 25411 13164 1 25 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.102 -0.401 25411 13165 1 25 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.222 -0.484 25411 13166 1 25 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.988 -1.173 25411 13167 1 25 . 1 1 5 5 LEU H H 5 8.206 8.206 7.546 0.660 25411 13168 1 25 . 1 1 6 6 SER N N 6 109.762 109.762 112.932 -3.170 25411 13169 1 25 . 1 1 6 6 SER HA H 6 4.092 4.092 4.146 -0.054 25411 13170 1 25 . 1 1 6 6 SER CA C 6 60.415 60.415 61.863 -1.448 25411 13171 1 25 . 1 1 6 6 SER CB C 6 63.391 63.391 62.641 0.750 25411 13172 1 25 . 1 1 6 6 SER H H 6 8.253 8.253 8.326 -0.073 25411 13173 1 25 . 1 1 7 7 GLN N N 7 117.498 117.498 122.721 -5.223 25411 13174 1 25 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.192 -0.237 25411 13175 1 25 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.749 -0.324 25411 13176 1 25 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.521 0.218 25411 13177 1 25 . 1 1 7 7 GLN H H 7 8.673 8.673 7.862 0.811 25411 13178 1 25 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.338 -0.541 25411 13179 1 25 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.992 -0.937 25411 13180 1 25 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.218 -1.109 25411 13181 1 25 . 1 1 9 9 GLU N N 9 120.354 120.354 119.577 0.777 25411 13182 1 25 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.229 -0.270 25411 13183 1 25 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.323 0.935 25411 13184 1 25 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.857 -0.630 25411 13185 1 25 . 1 1 9 9 GLU H H 9 7.690 7.690 8.483 -0.793 25411 13186 1 25 . 1 1 10 10 ARG N N 10 118.753 118.753 120.176 -1.423 25411 13187 1 25 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.126 -0.027 25411 13188 1 25 . 1 1 10 10 ARG CA C 10 58.221 58.221 58.562 -0.341 25411 13189 1 25 . 1 1 10 10 ARG CB C 10 29.095 29.095 29.964 -0.869 25411 13190 1 25 . 1 1 10 10 ARG H H 10 8.928 8.928 8.081 0.847 25411 13191 1 25 . 1 1 11 11 TYR N N 11 121.288 121.288 119.567 1.721 25411 13192 1 25 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.287 -0.098 25411 13193 1 25 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.435 -1.199 25411 13194 1 25 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.397 -0.536 25411 13195 1 25 . 1 1 11 11 TYR H H 11 7.562 7.562 8.849 -1.287 25411 13196 1 25 . 1 1 12 12 VAL N N 12 119.304 119.304 119.639 -0.335 25411 13197 1 25 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.626 -0.543 25411 13198 1 25 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.675 0.160 25411 13199 1 25 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.781 -0.682 25411 13200 1 25 . 1 1 12 12 VAL H H 12 8.075 8.075 7.815 0.260 25411 13201 1 25 . 1 1 13 13 GLU N N 13 119.685 119.685 119.800 -0.115 25411 13202 1 25 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.012 0.143 25411 13203 1 25 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.200 0.225 25411 13204 1 25 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.220 -0.032 25411 13205 1 25 . 1 1 13 13 GLU H H 13 8.278 8.278 7.767 0.511 25411 13206 1 25 . 1 1 14 14 GLN N N 14 119.682 119.682 119.638 0.044 25411 13207 1 25 . 1 1 14 14 GLN HA H 14 3.656 3.656 3.998 -0.342 25411 13208 1 25 . 1 1 14 14 GLN CA C 14 59.969 59.969 59.005 0.964 25411 13209 1 25 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.620 1.053 25411 13210 1 25 . 1 1 14 14 GLN H H 14 7.653 7.653 8.189 -0.536 25411 13211 1 25 . 1 1 15 15 LEU N N 15 121.000 121.000 118.100 2.900 25411 13212 1 25 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.149 -0.228 25411 13213 1 25 . 1 1 15 15 LEU CA C 15 58.455 58.455 56.667 1.788 25411 13214 1 25 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.111 -0.351 25411 13215 1 25 . 1 1 15 15 LEU H H 15 8.402 8.402 8.533 -0.131 25411 13216 1 25 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.881 -0.185 25411 13217 1 25 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.438 -0.180 25411 13218 1 25 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.293 -0.158 25411 13219 1 25 . 1 1 17 17 GLN N N 17 117.558 117.558 118.338 -0.780 25411 13220 1 25 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.064 -0.177 25411 13221 1 25 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.687 -0.245 25411 13222 1 25 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.689 -0.643 25411 13223 1 25 . 1 1 17 17 GLN H H 17 7.849 7.849 7.797 0.052 25411 13224 1 25 . 1 1 18 18 ALA N N 18 120.288 120.288 123.106 -2.818 25411 13225 1 25 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.137 -0.349 25411 13226 1 25 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.862 0.031 25411 13227 1 25 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.610 -1.214 25411 13228 1 25 . 1 1 18 18 ALA H H 18 8.504 8.504 8.106 0.398 25411 13229 1 25 . 1 1 19 19 LEU N N 19 116.974 116.974 118.201 -1.227 25411 13230 1 25 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.037 -0.278 25411 13231 1 25 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.834 0.718 25411 13232 1 25 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.626 -0.933 25411 13233 1 25 . 1 1 19 19 LEU H H 19 8.143 8.143 8.347 -0.204 25411 13234 1 25 . 1 1 20 20 LYS N N 20 117.776 117.776 121.369 -3.593 25411 13235 1 25 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.039 -0.084 25411 13236 1 25 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.578 -0.034 25411 13237 1 25 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.379 -1.893 25411 13238 1 25 . 1 1 20 20 LYS H H 20 8.340 8.340 8.066 0.274 25411 13239 1 25 . 1 1 21 21 THR N N 21 116.373 116.373 112.066 4.307 25411 13240 1 25 . 1 1 21 21 THR HA H 21 4.107 4.107 4.206 -0.099 25411 13241 1 25 . 1 1 21 21 THR CA C 21 64.611 64.611 64.619 -0.008 25411 13242 1 25 . 1 1 21 21 THR CB C 21 68.811 68.811 68.336 0.475 25411 13243 1 25 . 1 1 21 21 THR H H 21 7.302 7.302 7.848 -0.546 25411 13244 1 25 . 1 1 22 22 ARG N N 22 118.647 118.647 119.923 -1.276 25411 13245 1 25 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.486 -0.124 25411 13246 1 25 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.671 -1.606 25411 13247 1 25 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.282 -1.754 25411 13248 1 25 . 1 1 22 22 ARG H H 22 7.290 7.290 7.440 -0.150 25411 13249 1 25 . 1 1 23 23 GLY N N 23 108.637 108.637 108.698 -0.061 25411 13250 1 25 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.385 0.727 25411 13251 1 25 . 1 1 23 23 GLY H H 23 7.881 7.881 7.698 0.183 25411 13252 1 25 . 1 1 24 24 VAL N N 24 117.390 117.390 120.847 -3.457 25411 13253 1 25 . 1 1 24 24 VAL HA H 24 4.014 4.014 4.309 -0.295 25411 13254 1 25 . 1 1 24 24 VAL CA C 24 61.668 61.668 60.606 1.062 25411 13255 1 25 . 1 1 24 24 VAL CB C 24 32.372 32.372 29.441 2.931 25411 13256 1 25 . 1 1 24 24 VAL H H 24 7.333 7.333 7.684 -0.351 25411 13257 1 25 . 1 1 25 25 LYS N N 25 127.322 127.322 120.020 7.302 25411 13258 1 25 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.991 0.341 25411 13259 1 25 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.239 -1.477 25411 13260 1 25 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.820 -0.059 25411 13261 1 25 . 1 1 25 25 LYS H H 25 8.722 8.722 7.678 1.044 25411 13262 1 25 . 1 1 26 26 VAL N N 26 120.568 120.568 118.177 2.391 25411 13263 1 25 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.268 -0.190 25411 13264 1 25 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.849 -1.184 25411 13265 1 25 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.131 0.516 25411 13266 1 25 . 1 1 26 26 VAL H H 26 7.119 7.119 8.211 -1.092 25411 13267 1 25 . 1 1 27 27 LYS N N 27 125.675 125.675 127.776 -2.101 25411 13268 1 25 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.381 -0.055 25411 13269 1 25 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.294 0.117 25411 13270 1 25 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.981 -3.022 25411 13271 1 25 . 1 1 27 27 LYS H H 27 8.570 8.570 8.059 0.511 25411 13272 1 25 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.465 -0.448 25411 13273 1 25 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.788 -2.376 25411 13274 1 25 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.846 1.994 25411 13275 1 25 . 1 1 29 29 ALA N N 29 120.743 120.743 128.274 -7.531 25411 13276 1 25 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.190 -0.522 25411 13277 1 25 . 1 1 29 29 ALA CA C 29 54.678 54.678 54.685 -0.007 25411 13278 1 25 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.868 -0.868 25411 13279 1 25 . 1 1 29 29 ALA H H 29 8.323 8.323 8.731 -0.408 25411 13280 1 25 . 1 1 30 30 ASP N N 30 117.202 117.202 117.361 -0.159 25411 13281 1 25 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.442 -0.161 25411 13282 1 25 . 1 1 30 30 ASP CA C 30 56.553 56.553 55.956 0.597 25411 13283 1 25 . 1 1 30 30 ASP CB C 30 39.807 39.807 40.038 -0.231 25411 13284 1 25 . 1 1 30 30 ASP H H 30 6.872 6.872 8.546 -1.674 25411 13285 1 25 . 1 1 31 31 LEU N N 31 122.273 122.273 118.635 3.638 25411 13286 1 25 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.333 -0.787 25411 13287 1 25 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.511 0.214 25411 13288 1 25 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.233 -1.575 25411 13289 1 25 . 1 1 31 31 LEU H H 31 7.433 7.433 7.621 -0.188 25411 13290 1 25 . 1 1 32 32 LEU N N 32 123.376 123.376 119.233 4.143 25411 13291 1 25 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.243 -0.628 25411 13292 1 25 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.322 -0.226 25411 13293 1 25 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.987 -1.445 25411 13294 1 25 . 1 1 32 32 LEU H H 32 8.727 8.727 7.936 0.791 25411 13295 1 25 . 1 1 33 33 LYS N N 33 118.078 118.078 120.028 -1.950 25411 13296 1 25 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.602 -0.389 25411 13297 1 25 . 1 1 33 33 LYS CA C 33 59.098 59.098 58.967 0.131 25411 13298 1 25 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.044 -0.154 25411 13299 1 25 . 1 1 33 33 LYS H H 33 7.149 7.149 7.761 -0.612 25411 13300 1 25 . 1 1 34 34 PHE N N 34 117.398 117.398 121.534 -4.136 25411 13301 1 25 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.838 -5.143 25411 13302 1 25 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.201 2.018 25411 13303 1 25 . 1 1 34 34 PHE H H 34 7.633 7.633 8.166 -0.533 25411 13304 1 25 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.107 -0.314 25411 13305 1 25 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.912 -0.320 25411 13306 1 25 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.507 -2.493 25411 13307 1 25 . 1 1 36 36 ASP N N 36 120.136 120.136 119.234 0.902 25411 13308 1 25 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.337 -0.241 25411 13309 1 25 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.113 -0.172 25411 13310 1 25 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.492 -1.388 25411 13311 1 25 . 1 1 36 36 ASP H H 36 8.330 8.330 8.946 -0.616 25411 13312 1 25 . 1 1 37 37 PHE N N 37 121.883 121.883 121.388 0.495 25411 13313 1 25 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.424 -0.166 25411 13314 1 25 . 1 1 37 37 PHE CA C 37 59.698 59.698 60.705 -1.007 25411 13315 1 25 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.270 0.915 25411 13316 1 25 . 1 1 37 37 PHE H H 37 7.794 7.794 7.865 -0.071 25411 13317 1 25 . 1 1 38 38 VAL N N 38 118.525 118.525 118.847 -0.322 25411 13318 1 25 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.361 -0.322 25411 13319 1 25 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.069 0.813 25411 13320 1 25 . 1 1 38 38 VAL CB C 38 30.688 30.688 30.922 -0.234 25411 13321 1 25 . 1 1 38 38 VAL H H 38 8.262 8.262 7.729 0.533 25411 13322 1 25 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.822 -0.366 25411 13323 1 25 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.338 -0.284 25411 13324 1 25 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.786 -0.090 25411 13325 1 25 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.346 0.099 25411 13326 1 25 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.326 0.659 25411 13327 1 25 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.409 -0.717 25411 13328 1 25 . 1 1 41 41 ILE N N 41 120.641 120.641 112.686 7.955 25411 13329 1 25 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.176 -0.151 25411 13330 1 25 . 1 1 41 41 ILE CA C 41 61.652 61.652 62.291 -0.639 25411 13331 1 25 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.413 -0.349 25411 13332 1 25 . 1 1 41 41 ILE H H 41 8.788 8.788 7.797 0.991 25411 13333 1 25 . 1 1 42 42 CYS N N 42 117.896 117.896 119.260 -1.364 25411 13334 1 25 . 1 1 42 42 CYS CA C 42 56.172 56.172 56.130 0.042 25411 13335 1 25 . 1 1 42 42 CYS CB C 42 28.324 28.324 27.805 0.519 25411 13336 1 25 . 1 1 42 42 CYS H H 42 7.180 7.180 7.753 -0.573 25411 13337 1 25 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.052 0.263 25411 13338 1 25 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.690 0.313 25411 13339 1 25 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.051 -0.336 25411 13340 1 25 . 1 1 44 44 TRP N N 44 113.823 113.823 115.696 -1.873 25411 13341 1 25 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.575 -0.270 25411 13342 1 25 . 1 1 44 44 TRP CA C 44 55.398 55.398 56.166 -0.768 25411 13343 1 25 . 1 1 44 44 TRP CB C 44 27.811 27.811 28.966 -1.155 25411 13344 1 25 . 1 1 44 44 TRP H H 44 6.591 6.591 7.815 -1.224 25411 13345 1 25 . 1 1 45 45 PHE N N 45 123.100 123.100 116.677 6.423 25411 13346 1 25 . 1 1 45 45 PHE HA H 45 4.001 4.001 4.912 -0.911 25411 13347 1 25 . 1 1 45 45 PHE CA C 45 62.809 62.809 55.802 7.007 25411 13348 1 25 . 1 1 45 45 PHE CB C 45 34.935 34.935 37.806 -2.872 25411 13349 1 25 . 1 1 45 45 PHE H H 45 7.239 7.239 7.718 -0.479 25411 13350 1 25 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.207 -0.195 25411 13351 1 25 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.850 -0.319 25411 13352 1 25 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.645 -1.158 25411 13353 1 25 . 1 1 47 47 GLN N N 47 114.502 114.502 115.806 -1.304 25411 13354 1 25 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.142 -0.205 25411 13355 1 25 . 1 1 47 47 GLN CA C 47 58.404 58.404 57.706 0.698 25411 13356 1 25 . 1 1 47 47 GLN CB C 47 28.320 28.320 28.105 0.215 25411 13357 1 25 . 1 1 47 47 GLN H H 47 6.518 6.518 8.422 -1.904 25411 13358 1 25 . 1 1 48 48 GLU N N 48 117.358 117.358 119.016 -1.658 25411 13359 1 25 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.205 -0.167 25411 13360 1 25 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.678 1.494 25411 13361 1 25 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.304 -1.350 25411 13362 1 25 . 1 1 48 48 GLU H H 48 7.318 7.318 7.855 -0.537 25411 13363 1 25 . 1 1 49 49 GLY N N 49 105.534 105.534 108.235 -2.701 25411 13364 1 25 . 1 1 49 49 GLY CA C 49 47.303 47.303 46.032 1.270 25411 13365 1 25 . 1 1 49 49 GLY H H 49 7.296 7.296 7.647 -0.351 25411 13366 1 25 . 1 1 50 50 THR N N 50 114.069 114.069 113.676 0.393 25411 13367 1 25 . 1 1 50 50 THR HA H 50 4.234 4.234 4.389 -0.155 25411 13368 1 25 . 1 1 50 50 THR CA C 50 61.683 61.683 60.599 1.085 25411 13369 1 25 . 1 1 50 50 THR CB C 50 70.718 70.718 71.133 -0.415 25411 13370 1 25 . 1 1 50 50 THR H H 50 7.597 7.597 7.391 0.206 25411 13371 1 25 . 1 1 51 51 ILE HA H 51 4.125 4.125 3.975 0.150 25411 13372 1 25 . 1 1 51 51 ILE CA C 51 59.870 59.870 62.039 -2.169 25411 13373 1 25 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.154 -3.866 25411 13374 1 25 . 1 1 52 52 ASP N N 52 121.791 121.791 123.775 -1.984 25411 13375 1 25 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.694 -0.071 25411 13376 1 25 . 1 1 52 52 ASP CA C 52 51.732 51.732 53.074 -1.342 25411 13377 1 25 . 1 1 52 52 ASP CB C 52 42.461 42.461 43.728 -1.267 25411 13378 1 25 . 1 1 52 52 ASP H H 52 7.168 7.168 7.833 -0.665 25411 13379 1 25 . 1 1 53 53 ILE N N 53 119.537 119.537 118.491 1.046 25411 13380 1 25 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.473 -0.338 25411 13381 1 25 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.151 -0.355 25411 13382 1 25 . 1 1 53 53 ILE CB C 53 37.815 37.815 40.355 -2.540 25411 13383 1 25 . 1 1 53 53 ILE H H 53 8.336 8.336 8.287 0.049 25411 13384 1 25 . 1 1 54 54 LYS N N 54 123.592 123.592 121.739 1.853 25411 13385 1 25 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.206 -0.101 25411 13386 1 25 . 1 1 54 54 LYS CA C 54 59.972 59.972 59.703 0.269 25411 13387 1 25 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.100 -0.352 25411 13388 1 25 . 1 1 54 54 LYS H H 54 8.104 8.104 8.120 -0.016 25411 13389 1 25 . 1 1 55 55 ARG N N 55 120.511 120.511 119.595 0.916 25411 13390 1 25 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.154 0.147 25411 13391 1 25 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.670 0.233 25411 13392 1 25 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.287 -0.231 25411 13393 1 25 . 1 1 55 55 ARG H H 55 9.196 9.196 8.920 0.276 25411 13394 1 25 . 1 1 56 56 TRP N N 56 120.681 120.681 121.092 -0.411 25411 13395 1 25 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.703 0.000 25411 13396 1 25 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.640 -1.234 25411 13397 1 25 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.343 0.671 25411 13398 1 25 . 1 1 56 56 TRP H H 56 8.899 8.899 8.083 0.816 25411 13399 1 25 . 1 1 57 57 ARG N N 57 122.115 122.115 118.904 3.211 25411 13400 1 25 . 1 1 57 57 ARG HA H 57 4.407 4.407 4.201 0.206 25411 13401 1 25 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.475 0.552 25411 13402 1 25 . 1 1 57 57 ARG CB C 57 29.786 29.786 30.378 -0.592 25411 13403 1 25 . 1 1 57 57 ARG H H 57 9.210 9.210 8.514 0.696 25411 13404 1 25 . 1 1 58 58 ARG N N 58 120.918 120.918 119.172 1.746 25411 13405 1 25 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.864 -0.019 25411 13406 1 25 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.357 -0.628 25411 13407 1 25 . 1 1 58 58 ARG H H 58 7.640 7.640 7.821 -0.181 25411 13408 1 25 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.811 -0.047 25411 13409 1 25 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.497 0.503 25411 13410 1 25 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.595 -0.762 25411 13411 1 25 . 1 1 59 59 VAL H H 59 7.916 7.916 7.715 0.201 25411 13412 1 25 . 1 1 60 60 GLY N N 60 106.856 106.856 107.283 -0.427 25411 13413 1 25 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.003 -0.922 25411 13414 1 25 . 1 1 60 60 GLY H H 60 7.623 7.623 8.297 -0.674 25411 13415 1 25 . 1 1 61 61 ASP N N 61 123.308 123.308 123.133 0.175 25411 13416 1 25 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.607 -0.382 25411 13417 1 25 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.801 -0.001 25411 13418 1 25 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.709 -1.225 25411 13419 1 25 . 1 1 61 61 ASP H H 61 8.203 8.203 8.050 0.153 25411 13420 1 25 . 1 1 62 62 CYS N N 62 120.841 120.841 118.552 2.289 25411 13421 1 25 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.127 0.111 25411 13422 1 25 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.292 -1.342 25411 13423 1 25 . 1 1 62 62 CYS CB C 62 26.503 26.503 27.180 -0.677 25411 13424 1 25 . 1 1 62 62 CYS H H 62 7.795 7.795 7.743 0.052 25411 13425 1 25 . 1 1 63 63 PHE N N 63 119.763 119.763 120.374 -0.611 25411 13426 1 25 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.335 -0.057 25411 13427 1 25 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.644 -2.987 25411 13428 1 25 . 1 1 63 63 PHE CB C 63 36.990 36.990 39.446 -2.456 25411 13429 1 25 . 1 1 63 63 PHE H H 63 8.647 8.647 8.165 0.482 25411 13430 1 25 . 1 1 64 64 GLN N N 64 118.578 118.578 119.504 -0.926 25411 13431 1 25 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.009 0.299 25411 13432 1 25 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.761 0.571 25411 13433 1 25 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.213 0.366 25411 13434 1 25 . 1 1 64 64 GLN H H 64 8.261 8.261 8.381 -0.120 25411 13435 1 25 . 1 1 65 65 ASP N N 65 119.534 119.534 121.998 -2.464 25411 13436 1 25 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.272 0.212 25411 13437 1 25 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.176 0.153 25411 13438 1 25 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.878 -1.207 25411 13439 1 25 . 1 1 65 65 ASP H H 65 8.338 8.338 8.377 -0.039 25411 13440 1 25 . 1 1 66 66 TYR N N 66 123.600 123.600 122.049 1.551 25411 13441 1 25 . 1 1 66 66 TYR HA H 66 4.502 4.502 4.032 0.470 25411 13442 1 25 . 1 1 66 66 TYR CA C 66 61.231 61.231 61.907 -0.677 25411 13443 1 25 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.263 0.170 25411 13444 1 25 . 1 1 66 66 TYR H H 66 7.804 7.804 8.217 -0.413 25411 13445 1 25 . 1 1 67 67 TYR N N 67 122.825 122.825 118.656 4.169 25411 13446 1 25 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.570 0.427 25411 13447 1 25 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.005 0.898 25411 13448 1 25 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.126 0.820 25411 13449 1 25 . 1 1 67 67 TYR H H 67 9.100 9.100 8.381 0.719 25411 13450 1 25 . 1 1 68 68 ASN N N 68 118.826 118.826 116.634 2.192 25411 13451 1 25 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.158 0.125 25411 13452 1 25 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.504 -0.072 25411 13453 1 25 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.303 -0.427 25411 13454 1 25 . 1 1 68 68 ASN H H 68 8.853 8.853 8.279 0.574 25411 13455 1 25 . 1 1 69 69 THR N N 69 114.242 114.242 113.890 0.352 25411 13456 1 25 . 1 1 69 69 THR HA H 69 3.837 3.837 3.812 0.025 25411 13457 1 25 . 1 1 69 69 THR CA C 69 65.328 65.328 65.562 -0.234 25411 13458 1 25 . 1 1 69 69 THR CB C 69 69.249 69.249 68.415 0.834 25411 13459 1 25 . 1 1 69 69 THR H H 69 7.847 7.847 7.870 -0.023 25411 13460 1 25 . 1 1 70 70 PHE N N 70 117.970 117.970 118.043 -0.073 25411 13461 1 25 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.596 -0.032 25411 13462 1 25 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.943 0.299 25411 13463 1 25 . 1 1 70 70 PHE CB C 70 41.074 41.074 39.812 1.262 25411 13464 1 25 . 1 1 70 70 PHE H H 70 8.489 8.489 7.339 1.150 25411 13465 1 25 . 1 1 71 71 GLY N N 71 109.516 109.516 105.586 3.930 25411 13466 1 25 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.252 0.780 25411 13467 1 25 . 1 1 71 71 GLY H H 71 7.968 7.968 8.005 -0.037 25411 13468 1 25 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.350 0.361 25411 13469 1 25 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.533 0.764 25411 13470 1 25 . 1 1 72 72 PRO CB C 72 31.744 31.744 32.115 -0.371 25411 13471 1 25 . 1 1 73 73 GLU N N 73 117.720 117.720 124.644 -6.924 25411 13472 1 25 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.143 -0.244 25411 13473 1 25 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.831 -0.096 25411 13474 1 25 . 1 1 73 73 GLU CB C 73 28.863 28.863 30.179 -1.316 25411 13475 1 25 . 1 1 73 73 GLU H H 73 8.586 8.586 8.910 -0.324 25411 13476 1 25 . 1 1 74 74 LYS N N 74 116.974 116.974 117.757 -0.783 25411 13477 1 25 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.476 -0.087 25411 13478 1 25 . 1 1 74 74 LYS CA C 74 55.185 55.185 56.466 -1.281 25411 13479 1 25 . 1 1 74 74 LYS CB C 74 34.087 34.087 34.103 -0.016 25411 13480 1 25 . 1 1 74 74 LYS H H 74 7.505 7.505 8.277 -0.772 25411 13481 1 25 . 1 1 75 75 VAL N N 75 117.309 117.309 121.555 -4.246 25411 13482 1 25 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.505 -0.192 25411 13483 1 25 . 1 1 75 75 VAL CA C 75 62.045 62.045 59.733 2.312 25411 13484 1 25 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.947 -0.963 25411 13485 1 25 . 1 1 75 75 VAL H H 75 7.402 7.402 7.716 -0.314 25411 13486 1 25 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.697 -0.135 25411 13487 1 25 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.923 -1.236 25411 13488 1 25 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.761 -1.030 25411 13489 1 25 . 1 1 77 77 VAL N N 77 120.870 120.870 123.428 -2.558 25411 13490 1 25 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.225 -0.397 25411 13491 1 25 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.222 1.616 25411 13492 1 25 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.257 -0.870 25411 13493 1 25 . 1 1 77 77 VAL H H 77 8.473 8.473 8.815 -0.342 25411 13494 1 25 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.922 -0.070 25411 13495 1 25 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.021 -2.896 25411 13496 1 25 . 1 1 78 78 ILE CB C 78 37.135 37.135 37.086 0.049 25411 13497 1 25 . 1 1 78 78 ILE H H 78 8.388 8.388 8.092 0.296 25411 13498 1 25 . 1 1 79 79 ALA N N 79 123.960 123.960 123.011 0.949 25411 13499 1 25 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.099 -0.209 25411 13500 1 25 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.802 0.087 25411 13501 1 25 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.383 -0.760 25411 13502 1 25 . 1 1 79 79 ALA H H 79 7.953 7.953 7.710 0.243 25411 13503 1 25 . 1 1 80 80 PHE N N 80 114.330 114.330 114.641 -0.311 25411 13504 1 25 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.528 -0.097 25411 13505 1 25 . 1 1 80 80 PHE CA C 80 61.312 61.312 60.035 1.278 25411 13506 1 25 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.102 -1.446 25411 13507 1 25 . 1 1 80 80 PHE H H 80 7.499 7.499 8.156 -0.657 25411 13508 1 25 . 1 1 81 81 SER N N 81 115.971 115.971 114.092 1.879 25411 13509 1 25 . 1 1 81 81 SER HA H 81 4.206 4.206 4.463 -0.257 25411 13510 1 25 . 1 1 81 81 SER CA C 81 58.432 58.432 59.532 -1.100 25411 13511 1 25 . 1 1 81 81 SER CB C 81 63.575 63.575 63.562 0.013 25411 13512 1 25 . 1 1 81 81 SER H H 81 8.225 8.225 7.524 0.701 25411 13513 1 25 . 1 1 82 82 TYR N N 82 121.997 121.997 123.117 -1.120 25411 13514 1 25 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.358 0.089 25411 13515 1 25 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.737 -4.852 25411 13516 1 25 . 1 1 82 82 TYR CB C 82 37.838 37.838 39.005 -1.167 25411 13517 1 25 . 1 1 82 82 TYR H H 82 8.378 8.378 7.786 0.592 25411 13518 1 25 . 1 1 83 83 TRP N N 83 120.268 120.268 120.985 -0.717 25411 13519 1 25 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.089 -4.696 25411 13520 1 25 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.877 -0.983 25411 13521 1 25 . 1 1 83 83 TRP H H 83 8.546 8.546 9.640 -1.094 25411 13522 1 25 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.082 0.138 25411 13523 1 25 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.345 0.284 25411 13524 1 25 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.648 1.417 25411 13525 1 25 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.248 -0.202 25411 13526 1 25 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.132 1.010 25411 13527 1 25 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.940 -0.248 25411 13528 1 25 . 1 1 86 86 ILE N N 86 117.000 117.000 119.618 -2.618 25411 13529 1 25 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.293 0.153 25411 13530 1 25 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.576 -2.293 25411 13531 1 25 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.719 -1.307 25411 13532 1 25 . 1 1 86 86 ILE H H 86 7.882 7.882 7.394 0.488 25411 13533 1 25 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.730 -0.504 25411 13534 1 25 . 1 1 87 87 LYS CA C 87 59.996 59.996 58.777 1.219 25411 13535 1 25 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.517 -0.467 25411 13536 1 25 . 1 1 88 88 GLU N N 88 116.404 116.404 117.261 -0.857 25411 13537 1 25 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.328 -0.481 25411 13538 1 25 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.101 0.810 25411 13539 1 25 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.156 -0.187 25411 13540 1 25 . 1 1 88 88 GLU H H 88 7.689 7.689 7.707 -0.018 25411 13541 1 25 . 1 1 89 89 LEU N N 89 118.193 118.193 121.348 -3.155 25411 13542 1 25 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.115 -0.226 25411 13543 1 25 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.709 1.254 25411 13544 1 25 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.023 -0.723 25411 13545 1 25 . 1 1 89 89 LEU H H 89 7.415 7.415 7.546 -0.131 25411 13546 1 25 . 1 1 90 90 ILE N N 90 115.471 115.471 120.299 -4.828 25411 13547 1 25 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.679 -0.261 25411 13548 1 25 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.132 0.776 25411 13549 1 25 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.695 -0.101 25411 13550 1 25 . 1 1 90 90 ILE H H 90 7.718 7.718 7.571 0.147 25411 13551 1 25 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.491 -0.771 25411 13552 1 25 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.719 0.945 25411 13553 1 25 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.142 0.391 25411 13554 1 25 . 1 1 92 92 LYS N N 92 119.253 119.253 118.713 0.540 25411 13555 1 25 . 1 1 92 92 LYS CA C 92 58.897 58.897 56.962 1.935 25411 13556 1 25 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.452 -0.464 25411 13557 1 25 . 1 1 92 92 LYS H H 92 7.869 7.869 7.528 0.341 25411 13558 1 25 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.974 0.557 25411 13559 1 25 . 1 1 93 93 LYS CA C 93 55.258 55.258 59.210 -3.952 25411 13560 1 25 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.119 0.050 25411 13561 1 25 . 1 1 94 94 GLU N N 94 116.729 116.729 119.071 -2.342 25411 13562 1 25 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.143 -0.010 25411 13563 1 25 . 1 1 94 94 GLU CA C 94 59.319 59.319 58.299 1.020 25411 13564 1 25 . 1 1 94 94 GLU CB C 94 27.375 27.375 28.749 -1.374 25411 13565 1 25 . 1 1 94 94 GLU H H 94 8.393 8.393 8.245 0.148 25411 13566 1 25 . 1 1 95 95 VAL N N 95 121.696 121.696 117.707 3.989 25411 13567 1 25 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.860 0.622 25411 13568 1 25 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.976 2.745 25411 13569 1 25 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.339 1.555 25411 13570 1 25 . 1 1 95 95 VAL H H 95 7.923 7.923 7.781 0.142 25411 13571 1 25 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.680 -0.322 25411 13572 1 25 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.380 0.227 25411 13573 1 25 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.521 -0.647 25411 13574 1 25 . 1 1 98 98 GLN N N 98 117.731 117.731 119.625 -1.894 25411 13575 1 25 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.056 -0.131 25411 13576 1 25 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.445 0.163 25411 13577 1 25 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.770 0.751 25411 13578 1 25 . 1 1 98 98 GLN H H 98 8.359 8.359 8.825 -0.466 25411 13579 1 25 . 1 1 99 99 VAL N N 99 121.326 121.326 118.455 2.871 25411 13580 1 25 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.751 -0.331 25411 13581 1 25 . 1 1 99 99 VAL CA C 99 66.404 66.404 66.060 0.344 25411 13582 1 25 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.357 0.262 25411 13583 1 25 . 1 1 99 99 VAL H H 99 7.901 7.901 8.249 -0.348 25411 13584 1 25 . 1 1 100 100 MET N N 100 120.447 120.447 116.230 4.217 25411 13585 1 25 . 1 1 100 100 MET HA H 100 3.812 3.812 4.397 -0.585 25411 13586 1 25 . 1 1 100 100 MET CA C 100 59.297 59.297 56.379 2.918 25411 13587 1 25 . 1 1 100 100 MET CB C 100 32.099 32.099 32.180 -0.081 25411 13588 1 25 . 1 1 100 100 MET H H 100 7.509 7.509 7.710 -0.201 25411 13589 1 25 . 1 1 101 101 ALA N N 101 119.458 119.458 121.336 -1.878 25411 13590 1 25 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.167 0.043 25411 13591 1 25 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.291 0.461 25411 13592 1 25 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.473 -0.952 25411 13593 1 25 . 1 1 101 101 ALA H H 101 7.889 7.889 7.605 0.284 25411 13594 1 25 . 1 1 102 102 ALA N N 102 119.627 119.627 120.942 -1.315 25411 13595 1 25 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.185 -0.192 25411 13596 1 25 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.270 0.618 25411 13597 1 25 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.494 -1.149 25411 13598 1 25 . 1 1 102 102 ALA H H 102 7.563 7.563 8.331 -0.768 25411 13599 1 25 . 1 1 103 103 VAL N N 103 122.690 122.690 118.105 4.585 25411 13600 1 25 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.900 0.173 25411 13601 1 25 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.766 -4.080 25411 13602 1 25 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.093 2.128 25411 13603 1 25 . 1 1 103 103 VAL H H 103 8.828 8.828 7.953 0.875 25411 13604 1 25 . 1 1 104 104 ALA N N 104 128.041 128.041 120.234 7.807 25411 13605 1 25 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.229 0.040 25411 13606 1 25 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.197 -2.056 25411 13607 1 25 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.705 0.235 25411 13608 1 25 . 1 1 104 104 ALA H H 104 8.367 8.367 7.522 0.845 25411 13609 1 25 . 1 1 105 105 GLN N N 105 120.265 120.265 116.727 3.538 25411 13610 1 25 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.491 -0.560 25411 13611 1 25 . 1 1 105 105 GLN CB C 105 29.020 29.020 29.769 -0.749 25411 13612 1 25 . 1 1 105 105 GLN H H 105 8.356 8.356 7.778 0.578 25411 13613 1 25 . 1 1 106 106 THR HA H 106 4.320 4.320 4.275 0.045 25411 13614 1 25 . 1 1 106 106 THR CA C 106 61.346 61.346 63.634 -2.288 25411 13615 1 25 . 1 1 106 106 THR CB C 106 69.293 69.293 69.111 0.182 25411 13616 1 25 . 1 1 107 107 GLU N N 107 122.706 122.706 120.281 2.425 25411 13617 1 25 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.292 -0.110 25411 13618 1 25 . 1 1 107 107 GLU CA C 107 56.576 56.576 58.292 -1.716 25411 13619 1 25 . 1 1 107 107 GLU CB C 107 29.936 29.936 30.461 -0.525 25411 13620 1 25 . 1 1 107 107 GLU H H 107 8.404 8.404 7.805 0.599 25411 13621 1 25 . 1 1 108 108 GLU N N 108 122.034 122.034 117.005 5.029 25411 13622 1 25 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.019 0.142 25411 13623 1 25 . 1 1 108 108 GLU CA C 108 56.649 56.649 58.514 -1.865 25411 13624 1 25 . 1 1 108 108 GLU CB C 108 29.676 29.676 28.672 1.004 25411 13625 1 25 . 1 1 108 108 GLU H H 108 7.341 7.341 7.709 -0.368 25411 13626 1 25 . 1 1 109 109 ILE N N 109 122.151 122.151 122.938 -0.787 25411 13627 1 25 . 1 1 109 109 ILE HA H 109 4.047 4.047 3.768 0.279 25411 13628 1 25 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.252 -0.687 25411 13629 1 25 . 1 1 109 109 ILE CB C 109 38.104 38.104 37.145 0.959 25411 13630 1 25 . 1 1 109 109 ILE H H 109 8.058 8.058 8.327 -0.269 25411 13631 1 25 . 1 1 110 110 LEU N N 110 122.427 122.427 113.122 9.305 25411 13632 1 25 . 1 1 110 110 LEU HA H 110 4.276 4.276 3.894 0.382 25411 13633 1 25 . 1 1 110 110 LEU CA C 110 55.151 55.151 55.746 -0.595 25411 13634 1 25 . 1 1 110 110 LEU CB C 110 32.255 32.255 39.744 -7.489 25411 13635 1 25 . 1 1 110 110 LEU H H 110 8.194 8.194 8.105 0.089 25411 13636 1 25 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.544 -0.297 25411 13637 1 25 . 1 1 111 111 LYS CA C 111 56.137 56.137 55.313 0.824 25411 13638 1 25 . 1 1 111 111 LYS CB C 111 32.569 32.569 31.728 0.841 25411 13639 1 25 . 1 1 112 112 SER N N 112 116.453 116.453 119.300 -2.847 25411 13640 1 25 . 1 1 112 112 SER HA H 112 4.175 4.175 4.282 -0.107 25411 13641 1 25 . 1 1 112 112 SER CA C 112 58.311 58.311 61.239 -2.928 25411 13642 1 25 . 1 1 112 112 SER CB C 112 63.441 63.441 63.681 -0.240 25411 13643 1 25 . 1 1 112 112 SER H H 112 8.204 8.204 8.570 -0.366 25411 13644 1 25 . 1 1 113 113 ASN N N 113 119.747 119.747 115.664 4.083 25411 13645 1 25 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.789 -0.145 25411 13646 1 25 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.318 1.327 25411 13647 1 25 . 1 1 113 113 ASN CB C 113 38.646 38.646 39.023 -0.377 25411 13648 1 25 . 1 1 113 113 ASN H H 113 7.944 7.944 7.616 0.328 25411 13649 1 25 . 1 1 114 114 SER N N 114 115.433 115.433 113.092 2.341 25411 13650 1 25 . 1 1 114 114 SER HA H 114 4.336 4.336 4.496 -0.160 25411 13651 1 25 . 1 1 114 114 SER CA C 114 58.711 58.711 59.521 -0.810 25411 13652 1 25 . 1 1 114 114 SER CB C 114 63.308 63.308 62.214 1.094 25411 13653 1 25 . 1 1 114 114 SER H H 114 7.962 7.962 8.440 -0.478 25411 13654 1 25 . 1 1 115 115 GLN N N 115 121.682 121.682 120.290 1.392 25411 13655 1 25 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.635 -0.360 25411 13656 1 25 . 1 1 115 115 GLN CA C 115 56.193 56.193 56.080 0.113 25411 13657 1 25 . 1 1 115 115 GLN CB C 115 28.807 28.807 31.119 -2.312 25411 13658 1 25 . 1 1 115 115 GLN H H 115 8.207 8.207 8.383 -0.176 25411 13659 1 25 . 1 1 116 116 THR N N 116 114.715 114.715 111.249 3.466 25411 13660 1 25 . 1 1 116 116 THR HA H 116 4.225 4.225 4.614 -0.389 25411 13661 1 25 . 1 1 116 116 THR CA C 116 62.109 62.109 60.125 1.984 25411 13662 1 25 . 1 1 116 116 THR CB C 116 69.336 69.336 71.457 -2.121 25411 13663 1 25 . 1 1 116 116 THR H H 116 8.062 8.062 8.227 -0.165 25411 13664 1 25 . 1 1 117 117 ASP N N 117 122.602 122.602 120.693 1.909 25411 13665 1 25 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.541 0.027 25411 13666 1 25 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.368 -2.164 25411 13667 1 25 . 1 1 117 117 ASP CB C 117 40.665 40.665 39.769 0.896 25411 13668 1 25 . 1 1 117 117 ASP H H 117 8.065 8.065 8.750 -0.685 25411 13669 1 25 . 1 1 118 118 LEU N N 118 122.140 122.140 119.199 2.941 25411 13670 1 25 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.338 -0.183 25411 13671 1 25 . 1 1 118 118 LEU CA C 118 55.423 55.423 54.512 0.911 25411 13672 1 25 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.663 0.209 25411 13673 1 25 . 1 1 118 118 LEU H H 118 8.085 8.085 7.550 0.535 25411 13674 1 25 . 1 1 119 119 GLU N N 119 119.672 119.672 116.225 3.447 25411 13675 1 25 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.093 -0.025 25411 13676 1 25 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.453 -0.888 25411 13677 1 25 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.105 2.467 25411 13678 1 25 . 1 1 119 119 GLU H H 119 8.143 8.143 7.757 0.386 25411 13679 1 25 . 1 1 120 120 HIS N N 120 118.301 118.301 117.230 1.071 25411 13680 1 25 . 1 1 120 120 HIS CA C 120 55.883 55.883 58.688 -2.805 25411 13681 1 25 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.712 -0.442 25411 13682 1 25 . 1 1 120 120 HIS H H 120 8.107 8.107 7.799 0.308 25411 13683 1 25 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.804 -0.796 25411 13684 1 25 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.874 -0.708 25411 13685 1 25 . 1 1 121 121 HIS CB C 121 28.759 28.759 31.021 -2.263 25411 13686 1 25 . 1 1 122 122 HIS N N 122 122.407 122.407 117.885 4.522 25411 13687 1 25 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.783 -0.565 25411 13688 1 25 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.721 1.360 25411 13689 1 25 . 1 1 122 122 HIS CB C 122 29.371 29.371 33.173 -3.803 25411 13690 1 25 . 1 1 122 122 HIS H H 122 8.489 8.489 7.797 0.692 25411 13691 1 25 . 1 1 123 123 HIS N N 123 122.868 122.868 117.803 5.065 25411 13692 1 25 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.154 0.233 25411 13693 1 25 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.206 -0.895 25411 13694 1 25 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.189 0.313 25411 13695 1 25 . 1 1 123 123 HIS H H 123 8.596 8.596 7.557 1.039 25411 13696 1 25 . 1 1 124 124 HIS N N 124 123.734 123.734 120.181 3.553 25411 13697 1 25 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.744 -0.187 25411 13698 1 25 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.102 1.283 25411 13699 1 25 . 1 1 124 124 HIS CB C 124 29.358 29.358 29.207 0.151 25411 13700 1 25 . 1 1 124 124 HIS H H 124 8.255 8.255 8.087 0.168 25411 13701 1 26 . 1 1 3 3 GLN N N 3 122.360 122.360 120.629 1.731 25411 13702 1 26 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.461 -0.573 25411 13703 1 26 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.678 2.064 25411 13704 1 26 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.535 -0.152 25411 13705 1 26 . 1 1 3 3 GLN H H 3 9.398 9.398 8.625 0.773 25411 13706 1 26 . 1 1 4 4 GLU N N 4 119.689 119.689 119.859 -0.170 25411 13707 1 26 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.214 0.460 25411 13708 1 26 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.794 0.013 25411 13709 1 26 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.472 0.228 25411 13710 1 26 . 1 1 4 4 GLU H H 4 7.464 7.464 8.937 -1.473 25411 13711 1 26 . 1 1 5 5 LEU N N 5 114.872 114.872 122.164 -7.292 25411 13712 1 26 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.108 -0.407 25411 13713 1 26 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.164 -0.426 25411 13714 1 26 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.936 -1.121 25411 13715 1 26 . 1 1 5 5 LEU H H 5 8.206 8.206 7.630 0.576 25411 13716 1 26 . 1 1 6 6 SER N N 6 109.762 109.762 113.457 -3.695 25411 13717 1 26 . 1 1 6 6 SER HA H 6 4.092 4.092 4.083 0.009 25411 13718 1 26 . 1 1 6 6 SER CA C 6 60.415 60.415 62.001 -1.586 25411 13719 1 26 . 1 1 6 6 SER CB C 6 63.391 63.391 62.456 0.935 25411 13720 1 26 . 1 1 6 6 SER H H 6 8.253 8.253 8.266 -0.013 25411 13721 1 26 . 1 1 7 7 GLN N N 7 117.498 117.498 122.600 -5.102 25411 13722 1 26 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.110 -0.155 25411 13723 1 26 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.890 -0.465 25411 13724 1 26 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.683 0.056 25411 13725 1 26 . 1 1 7 7 GLN H H 7 8.673 8.673 7.747 0.926 25411 13726 1 26 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.380 -0.583 25411 13727 1 26 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.558 -0.503 25411 13728 1 26 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.106 -0.997 25411 13729 1 26 . 1 1 9 9 GLU N N 9 120.354 120.354 119.559 0.795 25411 13730 1 26 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.143 -0.184 25411 13731 1 26 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.316 0.942 25411 13732 1 26 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.641 -0.414 25411 13733 1 26 . 1 1 9 9 GLU H H 9 7.690 7.690 8.367 -0.677 25411 13734 1 26 . 1 1 10 10 ARG N N 10 118.753 118.753 119.999 -1.246 25411 13735 1 26 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.083 0.016 25411 13736 1 26 . 1 1 10 10 ARG CA C 10 58.221 58.221 58.757 -0.536 25411 13737 1 26 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.040 -0.945 25411 13738 1 26 . 1 1 10 10 ARG H H 10 8.928 8.928 8.001 0.927 25411 13739 1 26 . 1 1 11 11 TYR N N 11 121.288 121.288 120.024 1.264 25411 13740 1 26 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.275 -0.086 25411 13741 1 26 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.441 -1.204 25411 13742 1 26 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.544 -0.683 25411 13743 1 26 . 1 1 11 11 TYR H H 11 7.562 7.562 8.661 -1.099 25411 13744 1 26 . 1 1 12 12 VAL N N 12 119.304 119.304 119.661 -0.357 25411 13745 1 26 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.614 -0.531 25411 13746 1 26 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.705 0.130 25411 13747 1 26 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.649 -0.550 25411 13748 1 26 . 1 1 12 12 VAL H H 12 8.075 8.075 7.965 0.111 25411 13749 1 26 . 1 1 13 13 GLU N N 13 119.685 119.685 119.830 -0.145 25411 13750 1 26 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.001 0.154 25411 13751 1 26 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.229 0.196 25411 13752 1 26 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.162 0.026 25411 13753 1 26 . 1 1 13 13 GLU H H 13 8.278 8.278 7.705 0.573 25411 13754 1 26 . 1 1 14 14 GLN N N 14 119.682 119.682 120.062 -0.380 25411 13755 1 26 . 1 1 14 14 GLN HA H 14 3.656 3.656 3.980 -0.324 25411 13756 1 26 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.995 0.974 25411 13757 1 26 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.476 1.197 25411 13758 1 26 . 1 1 14 14 GLN H H 14 7.653 7.653 7.960 -0.307 25411 13759 1 26 . 1 1 15 15 LEU N N 15 121.000 121.000 119.568 1.432 25411 13760 1 26 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.044 -0.123 25411 13761 1 26 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.837 0.618 25411 13762 1 26 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.321 -0.561 25411 13763 1 26 . 1 1 15 15 LEU H H 15 8.402 8.402 8.528 -0.126 25411 13764 1 26 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.900 -0.204 25411 13765 1 26 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.224 0.034 25411 13766 1 26 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.247 -0.112 25411 13767 1 26 . 1 1 17 17 GLN N N 17 117.558 117.558 118.496 -0.938 25411 13768 1 26 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.055 -0.168 25411 13769 1 26 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.708 -0.266 25411 13770 1 26 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.730 -0.684 25411 13771 1 26 . 1 1 17 17 GLN H H 17 7.849 7.849 7.836 0.013 25411 13772 1 26 . 1 1 18 18 ALA N N 18 120.288 120.288 123.120 -2.832 25411 13773 1 26 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.130 -0.342 25411 13774 1 26 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.948 -0.055 25411 13775 1 26 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.632 -1.236 25411 13776 1 26 . 1 1 18 18 ALA H H 18 8.504 8.504 8.356 0.148 25411 13777 1 26 . 1 1 19 19 LEU N N 19 116.974 116.974 117.802 -0.828 25411 13778 1 26 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.040 -0.281 25411 13779 1 26 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.936 0.616 25411 13780 1 26 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.715 -1.022 25411 13781 1 26 . 1 1 19 19 LEU H H 19 8.143 8.143 8.480 -0.337 25411 13782 1 26 . 1 1 20 20 LYS N N 20 117.776 117.776 121.020 -3.244 25411 13783 1 26 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.010 -0.055 25411 13784 1 26 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.915 -0.371 25411 13785 1 26 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.373 -1.887 25411 13786 1 26 . 1 1 20 20 LYS H H 20 8.340 8.340 8.078 0.262 25411 13787 1 26 . 1 1 21 21 THR N N 21 116.373 116.373 110.950 5.423 25411 13788 1 26 . 1 1 21 21 THR HA H 21 4.107 4.107 4.205 -0.098 25411 13789 1 26 . 1 1 21 21 THR CA C 21 64.611 64.611 64.266 0.345 25411 13790 1 26 . 1 1 21 21 THR CB C 21 68.811 68.811 68.578 0.233 25411 13791 1 26 . 1 1 21 21 THR H H 21 7.302 7.302 7.835 -0.533 25411 13792 1 26 . 1 1 22 22 ARG N N 22 118.647 118.647 119.569 -0.922 25411 13793 1 26 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.428 -0.067 25411 13794 1 26 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.673 -1.608 25411 13795 1 26 . 1 1 22 22 ARG CB C 22 29.528 29.528 30.974 -1.446 25411 13796 1 26 . 1 1 22 22 ARG H H 22 7.290 7.290 7.496 -0.206 25411 13797 1 26 . 1 1 23 23 GLY N N 23 108.637 108.637 106.762 1.875 25411 13798 1 26 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.603 0.509 25411 13799 1 26 . 1 1 23 23 GLY H H 23 7.881 7.881 7.613 0.268 25411 13800 1 26 . 1 1 24 24 VAL N N 24 117.390 117.390 119.425 -2.035 25411 13801 1 26 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.843 0.171 25411 13802 1 26 . 1 1 24 24 VAL CA C 24 61.668 61.668 63.534 -1.866 25411 13803 1 26 . 1 1 24 24 VAL CB C 24 32.372 32.372 31.529 0.843 25411 13804 1 26 . 1 1 24 24 VAL H H 24 7.333 7.333 7.797 -0.464 25411 13805 1 26 . 1 1 25 25 LYS N N 25 127.322 127.322 115.927 11.395 25411 13806 1 26 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.862 0.470 25411 13807 1 26 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.348 -1.586 25411 13808 1 26 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.669 0.092 25411 13809 1 26 . 1 1 25 25 LYS H H 25 8.722 8.722 7.565 1.157 25411 13810 1 26 . 1 1 26 26 VAL N N 26 120.568 120.568 120.599 -0.031 25411 13811 1 26 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.266 -0.188 25411 13812 1 26 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.151 -0.486 25411 13813 1 26 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.074 0.573 25411 13814 1 26 . 1 1 26 26 VAL H H 26 7.119 7.119 8.355 -1.236 25411 13815 1 26 . 1 1 27 27 LYS N N 27 125.675 125.675 125.091 0.584 25411 13816 1 26 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.324 0.002 25411 13817 1 26 . 1 1 27 27 LYS CA C 27 55.411 55.411 54.886 0.525 25411 13818 1 26 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.730 -2.771 25411 13819 1 26 . 1 1 27 27 LYS H H 27 8.570 8.570 7.900 0.670 25411 13820 1 26 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.490 -0.473 25411 13821 1 26 . 1 1 28 28 TYR CA C 28 56.412 56.412 59.017 -2.605 25411 13822 1 26 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.832 2.008 25411 13823 1 26 . 1 1 29 29 ALA N N 29 120.743 120.743 128.494 -7.751 25411 13824 1 26 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.179 -0.511 25411 13825 1 26 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.099 -0.421 25411 13826 1 26 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.794 -0.794 25411 13827 1 26 . 1 1 29 29 ALA H H 29 8.323 8.323 8.824 -0.501 25411 13828 1 26 . 1 1 30 30 ASP N N 30 117.202 117.202 118.631 -1.429 25411 13829 1 26 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.363 -0.082 25411 13830 1 26 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.303 0.250 25411 13831 1 26 . 1 1 30 30 ASP CB C 30 39.807 39.807 40.126 -0.319 25411 13832 1 26 . 1 1 30 30 ASP H H 30 6.872 6.872 8.486 -1.614 25411 13833 1 26 . 1 1 31 31 LEU N N 31 122.273 122.273 119.282 2.991 25411 13834 1 26 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.397 -0.851 25411 13835 1 26 . 1 1 31 31 LEU CA C 31 56.725 56.725 57.183 -0.458 25411 13836 1 26 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.223 -1.565 25411 13837 1 26 . 1 1 31 31 LEU H H 31 7.433 7.433 7.710 -0.277 25411 13838 1 26 . 1 1 32 32 LEU N N 32 123.376 123.376 119.169 4.207 25411 13839 1 26 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.246 -0.631 25411 13840 1 26 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.049 0.047 25411 13841 1 26 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.777 -1.235 25411 13842 1 26 . 1 1 32 32 LEU H H 32 8.727 8.727 7.793 0.934 25411 13843 1 26 . 1 1 33 33 LYS N N 33 118.078 118.078 120.106 -2.028 25411 13844 1 26 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.633 -0.420 25411 13845 1 26 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.166 -0.068 25411 13846 1 26 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.046 -0.156 25411 13847 1 26 . 1 1 33 33 LYS H H 33 7.149 7.149 7.387 -0.238 25411 13848 1 26 . 1 1 34 34 PHE N N 34 117.398 117.398 121.062 -3.664 25411 13849 1 26 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.857 -5.162 25411 13850 1 26 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.152 2.067 25411 13851 1 26 . 1 1 34 34 PHE H H 34 7.633 7.633 8.694 -1.061 25411 13852 1 26 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.079 -0.286 25411 13853 1 26 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.015 -0.423 25411 13854 1 26 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.400 -2.386 25411 13855 1 26 . 1 1 36 36 ASP N N 36 120.136 120.136 119.181 0.955 25411 13856 1 26 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.388 -0.292 25411 13857 1 26 . 1 1 36 36 ASP CA C 36 56.941 56.941 56.679 0.262 25411 13858 1 26 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.186 -1.082 25411 13859 1 26 . 1 1 36 36 ASP H H 36 8.330 8.330 8.606 -0.276 25411 13860 1 26 . 1 1 37 37 PHE N N 37 121.883 121.883 121.260 0.623 25411 13861 1 26 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.371 -0.113 25411 13862 1 26 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.944 -2.246 25411 13863 1 26 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.626 0.559 25411 13864 1 26 . 1 1 37 37 PHE H H 37 7.794 7.794 8.416 -0.622 25411 13865 1 26 . 1 1 38 38 VAL N N 38 118.525 118.525 119.172 -0.647 25411 13866 1 26 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.434 -0.395 25411 13867 1 26 . 1 1 38 38 VAL CA C 38 66.882 66.882 65.837 1.046 25411 13868 1 26 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.491 -0.803 25411 13869 1 26 . 1 1 38 38 VAL H H 38 8.262 8.262 7.735 0.527 25411 13870 1 26 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.925 -0.469 25411 13871 1 26 . 1 1 39 39 LYS CA C 39 59.054 59.054 58.940 0.114 25411 13872 1 26 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.991 -0.295 25411 13873 1 26 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.421 0.024 25411 13874 1 26 . 1 1 40 40 ASP CA C 40 56.985 56.985 55.777 1.208 25411 13875 1 26 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.090 -0.398 25411 13876 1 26 . 1 1 41 41 ILE N N 41 120.641 120.641 119.430 1.211 25411 13877 1 26 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.974 0.051 25411 13878 1 26 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.481 -2.829 25411 13879 1 26 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.484 -0.420 25411 13880 1 26 . 1 1 41 41 ILE H H 41 8.788 8.788 8.123 0.665 25411 13881 1 26 . 1 1 42 42 CYS N N 42 117.896 117.896 117.418 0.478 25411 13882 1 26 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.680 0.492 25411 13883 1 26 . 1 1 42 42 CYS CB C 42 28.324 28.324 28.993 -0.669 25411 13884 1 26 . 1 1 42 42 CYS H H 42 7.180 7.180 7.659 -0.479 25411 13885 1 26 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.136 0.179 25411 13886 1 26 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.693 0.310 25411 13887 1 26 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.382 -0.667 25411 13888 1 26 . 1 1 44 44 TRP N N 44 113.823 113.823 116.373 -2.550 25411 13889 1 26 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.228 0.077 25411 13890 1 26 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.760 -2.362 25411 13891 1 26 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.270 -1.459 25411 13892 1 26 . 1 1 44 44 TRP H H 44 6.591 6.591 7.880 -1.290 25411 13893 1 26 . 1 1 45 45 PHE N N 45 123.100 123.100 115.829 7.271 25411 13894 1 26 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.022 -1.021 25411 13895 1 26 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.638 8.171 25411 13896 1 26 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.122 -3.187 25411 13897 1 26 . 1 1 45 45 PHE H H 45 7.239 7.239 7.642 -0.403 25411 13898 1 26 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.206 -0.194 25411 13899 1 26 . 1 1 46 46 PRO CA C 46 64.531 64.531 65.076 -0.545 25411 13900 1 26 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.767 -1.280 25411 13901 1 26 . 1 1 47 47 GLN N N 47 114.502 114.502 117.827 -3.325 25411 13902 1 26 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.119 -0.182 25411 13903 1 26 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.469 -0.065 25411 13904 1 26 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.669 0.651 25411 13905 1 26 . 1 1 47 47 GLN H H 47 6.518 6.518 8.509 -1.991 25411 13906 1 26 . 1 1 48 48 GLU N N 48 117.358 117.358 117.850 -0.492 25411 13907 1 26 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.216 -0.178 25411 13908 1 26 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.451 1.721 25411 13909 1 26 . 1 1 48 48 GLU CB C 48 28.954 28.954 29.955 -1.001 25411 13910 1 26 . 1 1 48 48 GLU H H 48 7.318 7.318 7.751 -0.433 25411 13911 1 26 . 1 1 49 49 GLY N N 49 105.534 105.534 107.944 -2.410 25411 13912 1 26 . 1 1 49 49 GLY CA C 49 47.303 47.303 46.015 1.288 25411 13913 1 26 . 1 1 49 49 GLY H H 49 7.296 7.296 7.715 -0.419 25411 13914 1 26 . 1 1 50 50 THR N N 50 114.069 114.069 113.009 1.060 25411 13915 1 26 . 1 1 50 50 THR HA H 50 4.234 4.234 4.345 -0.111 25411 13916 1 26 . 1 1 50 50 THR CA C 50 61.683 61.683 61.296 0.387 25411 13917 1 26 . 1 1 50 50 THR CB C 50 70.718 70.718 70.368 0.350 25411 13918 1 26 . 1 1 50 50 THR H H 50 7.597 7.597 7.792 -0.195 25411 13919 1 26 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.390 -0.265 25411 13920 1 26 . 1 1 51 51 ILE CA C 51 59.870 59.870 60.838 -0.968 25411 13921 1 26 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.460 -4.172 25411 13922 1 26 . 1 1 52 52 ASP N N 52 121.791 121.791 126.230 -4.439 25411 13923 1 26 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.785 -0.162 25411 13924 1 26 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.678 -0.946 25411 13925 1 26 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.305 -1.844 25411 13926 1 26 . 1 1 52 52 ASP H H 52 7.168 7.168 8.198 -1.030 25411 13927 1 26 . 1 1 53 53 ILE N N 53 119.537 119.537 120.098 -0.561 25411 13928 1 26 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.311 -0.176 25411 13929 1 26 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.124 -0.328 25411 13930 1 26 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.147 -1.332 25411 13931 1 26 . 1 1 53 53 ILE H H 53 8.336 8.336 8.329 0.007 25411 13932 1 26 . 1 1 54 54 LYS N N 54 123.592 123.592 122.421 1.171 25411 13933 1 26 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.036 0.069 25411 13934 1 26 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.259 -0.287 25411 13935 1 26 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.074 -0.326 25411 13936 1 26 . 1 1 54 54 LYS H H 54 8.104 8.104 7.991 0.113 25411 13937 1 26 . 1 1 55 55 ARG N N 55 120.511 120.511 119.061 1.450 25411 13938 1 26 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.103 0.198 25411 13939 1 26 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.534 0.369 25411 13940 1 26 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.267 -0.211 25411 13941 1 26 . 1 1 55 55 ARG H H 55 9.196 9.196 8.988 0.208 25411 13942 1 26 . 1 1 56 56 TRP N N 56 120.681 120.681 121.586 -0.905 25411 13943 1 26 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.539 0.164 25411 13944 1 26 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.722 -1.316 25411 13945 1 26 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.270 0.744 25411 13946 1 26 . 1 1 56 56 TRP H H 56 8.899 8.899 8.157 0.742 25411 13947 1 26 . 1 1 57 57 ARG N N 57 122.115 122.115 119.239 2.876 25411 13948 1 26 . 1 1 57 57 ARG HA H 57 4.407 4.407 4.217 0.190 25411 13949 1 26 . 1 1 57 57 ARG CA C 57 60.027 60.027 58.820 1.207 25411 13950 1 26 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.637 0.149 25411 13951 1 26 . 1 1 57 57 ARG H H 57 9.210 9.210 8.511 0.699 25411 13952 1 26 . 1 1 58 58 ARG N N 58 120.918 120.918 119.538 1.380 25411 13953 1 26 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.648 0.197 25411 13954 1 26 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.143 -0.414 25411 13955 1 26 . 1 1 58 58 ARG H H 58 7.640 7.640 7.782 -0.142 25411 13956 1 26 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.648 0.116 25411 13957 1 26 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.675 0.325 25411 13958 1 26 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.522 -0.690 25411 13959 1 26 . 1 1 59 59 VAL H H 59 7.916 7.916 7.674 0.242 25411 13960 1 26 . 1 1 60 60 GLY N N 60 106.856 106.856 107.477 -0.621 25411 13961 1 26 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.260 -1.179 25411 13962 1 26 . 1 1 60 60 GLY H H 60 7.623 7.623 8.346 -0.723 25411 13963 1 26 . 1 1 61 61 ASP N N 61 123.308 123.308 122.991 0.317 25411 13964 1 26 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.637 -0.412 25411 13965 1 26 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.401 -0.602 25411 13966 1 26 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.906 -1.421 25411 13967 1 26 . 1 1 61 61 ASP H H 61 8.203 8.203 8.296 -0.093 25411 13968 1 26 . 1 1 62 62 CYS N N 62 120.841 120.841 118.561 2.280 25411 13969 1 26 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.026 0.212 25411 13970 1 26 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.180 -1.230 25411 13971 1 26 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.755 -0.252 25411 13972 1 26 . 1 1 62 62 CYS H H 62 7.795 7.795 7.621 0.174 25411 13973 1 26 . 1 1 63 63 PHE N N 63 119.763 119.763 118.682 1.081 25411 13974 1 26 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.262 0.016 25411 13975 1 26 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.693 -3.036 25411 13976 1 26 . 1 1 63 63 PHE CB C 63 36.990 36.990 38.347 -1.357 25411 13977 1 26 . 1 1 63 63 PHE H H 63 8.647 8.647 7.704 0.943 25411 13978 1 26 . 1 1 64 64 GLN N N 64 118.578 118.578 120.174 -1.596 25411 13979 1 26 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.105 0.203 25411 13980 1 26 . 1 1 64 64 GLN CA C 64 59.333 59.333 59.183 0.150 25411 13981 1 26 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.703 -0.124 25411 13982 1 26 . 1 1 64 64 GLN H H 64 8.261 8.261 8.667 -0.406 25411 13983 1 26 . 1 1 65 65 ASP N N 65 119.534 119.534 121.476 -1.942 25411 13984 1 26 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.407 0.077 25411 13985 1 26 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.286 0.043 25411 13986 1 26 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.895 -1.224 25411 13987 1 26 . 1 1 65 65 ASP H H 65 8.338 8.338 8.426 -0.088 25411 13988 1 26 . 1 1 66 66 TYR N N 66 123.600 123.600 122.018 1.582 25411 13989 1 26 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.959 0.543 25411 13990 1 26 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.238 -1.007 25411 13991 1 26 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.573 -0.140 25411 13992 1 26 . 1 1 66 66 TYR H H 66 7.804 7.804 8.349 -0.545 25411 13993 1 26 . 1 1 67 67 TYR N N 67 122.825 122.825 118.144 4.681 25411 13994 1 26 . 1 1 67 67 TYR HA H 67 3.997 3.997 4.230 -0.233 25411 13995 1 26 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.687 0.216 25411 13996 1 26 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.633 0.313 25411 13997 1 26 . 1 1 67 67 TYR H H 67 9.100 9.100 8.187 0.913 25411 13998 1 26 . 1 1 68 68 ASN N N 68 118.826 118.826 117.254 1.572 25411 13999 1 26 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.332 -0.049 25411 14000 1 26 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.919 -0.487 25411 14001 1 26 . 1 1 68 68 ASN CB C 68 37.876 37.876 37.870 0.006 25411 14002 1 26 . 1 1 68 68 ASN H H 68 8.853 8.853 8.704 0.149 25411 14003 1 26 . 1 1 69 69 THR N N 69 114.242 114.242 115.357 -1.115 25411 14004 1 26 . 1 1 69 69 THR HA H 69 3.837 3.837 4.013 -0.176 25411 14005 1 26 . 1 1 69 69 THR CA C 69 65.328 65.328 65.186 0.142 25411 14006 1 26 . 1 1 69 69 THR CB C 69 69.249 69.249 68.417 0.832 25411 14007 1 26 . 1 1 69 69 THR H H 69 7.847 7.847 8.089 -0.242 25411 14008 1 26 . 1 1 70 70 PHE N N 70 117.970 117.970 118.591 -0.621 25411 14009 1 26 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.373 0.191 25411 14010 1 26 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.075 0.167 25411 14011 1 26 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.449 2.625 25411 14012 1 26 . 1 1 70 70 PHE H H 70 8.489 8.489 7.226 1.263 25411 14013 1 26 . 1 1 71 71 GLY N N 71 109.516 109.516 108.273 1.243 25411 14014 1 26 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.815 0.217 25411 14015 1 26 . 1 1 71 71 GLY H H 71 7.968 7.968 7.523 0.445 25411 14016 1 26 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.398 0.313 25411 14017 1 26 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.418 0.879 25411 14018 1 26 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.466 0.278 25411 14019 1 26 . 1 1 73 73 GLU N N 73 117.720 117.720 125.463 -7.743 25411 14020 1 26 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.085 -0.186 25411 14021 1 26 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.533 0.203 25411 14022 1 26 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.736 -0.873 25411 14023 1 26 . 1 1 73 73 GLU H H 73 8.586 8.586 8.603 -0.017 25411 14024 1 26 . 1 1 74 74 LYS N N 74 116.974 116.974 120.336 -3.362 25411 14025 1 26 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.383 0.006 25411 14026 1 26 . 1 1 74 74 LYS CA C 74 55.185 55.185 55.213 -0.028 25411 14027 1 26 . 1 1 74 74 LYS CB C 74 34.087 34.087 30.808 3.279 25411 14028 1 26 . 1 1 74 74 LYS H H 74 7.505 7.505 8.280 -0.775 25411 14029 1 26 . 1 1 75 75 VAL N N 75 117.309 117.309 123.422 -6.113 25411 14030 1 26 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.225 0.088 25411 14031 1 26 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.786 1.259 25411 14032 1 26 . 1 1 75 75 VAL CB C 75 31.984 31.984 31.917 0.067 25411 14033 1 26 . 1 1 75 75 VAL H H 75 7.402 7.402 7.183 0.219 25411 14034 1 26 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.562 0.000 25411 14035 1 26 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.859 -1.173 25411 14036 1 26 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.713 -0.982 25411 14037 1 26 . 1 1 77 77 VAL N N 77 120.870 120.870 121.140 -0.270 25411 14038 1 26 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.136 -0.308 25411 14039 1 26 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.211 1.627 25411 14040 1 26 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.998 -0.611 25411 14041 1 26 . 1 1 77 77 VAL H H 77 8.473 8.473 8.780 -0.307 25411 14042 1 26 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.844 0.008 25411 14043 1 26 . 1 1 78 78 ILE CA C 78 61.125 61.125 63.746 -2.621 25411 14044 1 26 . 1 1 78 78 ILE CB C 78 37.135 37.135 37.078 0.057 25411 14045 1 26 . 1 1 78 78 ILE H H 78 8.388 8.388 7.910 0.478 25411 14046 1 26 . 1 1 79 79 ALA N N 79 123.960 123.960 122.115 1.845 25411 14047 1 26 . 1 1 79 79 ALA HA H 79 3.890 3.890 3.960 -0.070 25411 14048 1 26 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.470 0.419 25411 14049 1 26 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.228 -0.605 25411 14050 1 26 . 1 1 79 79 ALA H H 79 7.953 7.953 7.860 0.093 25411 14051 1 26 . 1 1 80 80 PHE N N 80 114.330 114.330 114.997 -0.667 25411 14052 1 26 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.395 0.036 25411 14053 1 26 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.571 1.741 25411 14054 1 26 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.075 -1.419 25411 14055 1 26 . 1 1 80 80 PHE H H 80 7.499 7.499 8.065 -0.566 25411 14056 1 26 . 1 1 81 81 SER N N 81 115.971 115.971 113.766 2.205 25411 14057 1 26 . 1 1 81 81 SER HA H 81 4.206 4.206 4.419 -0.213 25411 14058 1 26 . 1 1 81 81 SER CA C 81 58.432 58.432 59.605 -1.173 25411 14059 1 26 . 1 1 81 81 SER CB C 81 63.575 63.575 63.236 0.339 25411 14060 1 26 . 1 1 81 81 SER H H 81 8.225 8.225 7.389 0.836 25411 14061 1 26 . 1 1 82 82 TYR N N 82 121.997 121.997 123.145 -1.148 25411 14062 1 26 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.143 0.304 25411 14063 1 26 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.023 -4.138 25411 14064 1 26 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.576 -0.738 25411 14065 1 26 . 1 1 82 82 TYR H H 82 8.378 8.378 7.297 1.081 25411 14066 1 26 . 1 1 83 83 TRP N N 83 120.268 120.268 118.246 2.022 25411 14067 1 26 . 1 1 83 83 TRP CA C 83 57.393 57.393 59.071 -1.678 25411 14068 1 26 . 1 1 83 83 TRP CB C 83 28.894 28.894 28.497 0.397 25411 14069 1 26 . 1 1 83 83 TRP H H 83 8.546 8.546 8.945 -0.399 25411 14070 1 26 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.328 -0.108 25411 14071 1 26 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.233 0.396 25411 14072 1 26 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.778 1.287 25411 14073 1 26 . 1 1 85 85 LEU HA H 85 4.046 4.046 3.978 0.068 25411 14074 1 26 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.094 1.048 25411 14075 1 26 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.658 0.034 25411 14076 1 26 . 1 1 86 86 ILE N N 86 117.000 117.000 120.310 -3.310 25411 14077 1 26 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.512 -0.066 25411 14078 1 26 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.817 -2.534 25411 14079 1 26 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.914 -1.502 25411 14080 1 26 . 1 1 86 86 ILE H H 86 7.882 7.882 7.761 0.121 25411 14081 1 26 . 1 1 87 87 LYS HA H 87 3.226 3.226 4.044 -0.818 25411 14082 1 26 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.342 0.654 25411 14083 1 26 . 1 1 87 87 LYS CB C 87 31.050 31.050 32.324 -1.274 25411 14084 1 26 . 1 1 88 88 GLU N N 88 116.404 116.404 118.270 -1.866 25411 14085 1 26 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.427 -0.580 25411 14086 1 26 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.435 0.476 25411 14087 1 26 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.390 -0.421 25411 14088 1 26 . 1 1 88 88 GLU H H 88 7.689 7.689 7.711 -0.022 25411 14089 1 26 . 1 1 89 89 LEU N N 89 118.193 118.193 121.784 -3.591 25411 14090 1 26 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.193 -0.304 25411 14091 1 26 . 1 1 89 89 LEU CA C 89 57.963 57.963 57.114 0.849 25411 14092 1 26 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.051 -0.751 25411 14093 1 26 . 1 1 89 89 LEU H H 89 7.415 7.415 8.004 -0.589 25411 14094 1 26 . 1 1 90 90 ILE N N 90 115.471 115.471 120.868 -5.397 25411 14095 1 26 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.698 -0.280 25411 14096 1 26 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.243 0.665 25411 14097 1 26 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.690 -0.096 25411 14098 1 26 . 1 1 90 90 ILE H H 90 7.718 7.718 7.704 0.014 25411 14099 1 26 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.482 -0.762 25411 14100 1 26 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.976 0.688 25411 14101 1 26 . 1 1 91 91 ASP CB C 91 40.532 40.532 39.921 0.611 25411 14102 1 26 . 1 1 92 92 LYS N N 92 119.253 119.253 119.495 -0.242 25411 14103 1 26 . 1 1 92 92 LYS CA C 92 58.897 58.897 56.513 2.384 25411 14104 1 26 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.072 -0.084 25411 14105 1 26 . 1 1 92 92 LYS H H 92 7.869 7.869 7.615 0.254 25411 14106 1 26 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.982 0.549 25411 14107 1 26 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.745 -3.487 25411 14108 1 26 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.782 0.387 25411 14109 1 26 . 1 1 94 94 GLU N N 94 116.729 116.729 121.133 -4.404 25411 14110 1 26 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.069 0.064 25411 14111 1 26 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.247 0.072 25411 14112 1 26 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.334 -1.959 25411 14113 1 26 . 1 1 94 94 GLU H H 94 8.393 8.393 7.689 0.704 25411 14114 1 26 . 1 1 95 95 VAL N N 95 121.696 121.696 117.394 4.302 25411 14115 1 26 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.867 0.615 25411 14116 1 26 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.487 3.234 25411 14117 1 26 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.533 1.361 25411 14118 1 26 . 1 1 95 95 VAL H H 95 7.923 7.923 7.817 0.106 25411 14119 1 26 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.611 -0.253 25411 14120 1 26 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.365 0.242 25411 14121 1 26 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.775 -0.901 25411 14122 1 26 . 1 1 98 98 GLN N N 98 117.731 117.731 118.223 -0.492 25411 14123 1 26 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.104 -0.179 25411 14124 1 26 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.158 0.450 25411 14125 1 26 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.967 0.554 25411 14126 1 26 . 1 1 98 98 GLN H H 98 8.359 8.359 8.683 -0.324 25411 14127 1 26 . 1 1 99 99 VAL N N 99 121.326 121.326 118.123 3.203 25411 14128 1 26 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.681 -0.261 25411 14129 1 26 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.663 0.741 25411 14130 1 26 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.463 0.156 25411 14131 1 26 . 1 1 99 99 VAL H H 99 7.901 7.901 8.056 -0.155 25411 14132 1 26 . 1 1 100 100 MET N N 100 120.447 120.447 116.510 3.937 25411 14133 1 26 . 1 1 100 100 MET HA H 100 3.812 3.812 4.347 -0.535 25411 14134 1 26 . 1 1 100 100 MET CA C 100 59.297 59.297 58.085 1.212 25411 14135 1 26 . 1 1 100 100 MET CB C 100 32.099 32.099 33.110 -1.011 25411 14136 1 26 . 1 1 100 100 MET H H 100 7.509 7.509 7.542 -0.033 25411 14137 1 26 . 1 1 101 101 ALA N N 101 119.458 119.458 121.870 -2.412 25411 14138 1 26 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.220 -0.010 25411 14139 1 26 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.539 0.213 25411 14140 1 26 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.357 -0.836 25411 14141 1 26 . 1 1 101 101 ALA H H 101 7.889 7.889 7.645 0.244 25411 14142 1 26 . 1 1 102 102 ALA N N 102 119.627 119.627 121.495 -1.868 25411 14143 1 26 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.075 -0.082 25411 14144 1 26 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.676 0.212 25411 14145 1 26 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.136 -0.792 25411 14146 1 26 . 1 1 102 102 ALA H H 102 7.563 7.563 8.289 -0.726 25411 14147 1 26 . 1 1 103 103 VAL N N 103 122.690 122.690 118.691 3.999 25411 14148 1 26 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.763 0.310 25411 14149 1 26 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.835 -4.150 25411 14150 1 26 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.744 1.478 25411 14151 1 26 . 1 1 103 103 VAL H H 103 8.828 8.828 7.910 0.918 25411 14152 1 26 . 1 1 104 104 ALA N N 104 128.041 128.041 118.904 9.137 25411 14153 1 26 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.142 0.127 25411 14154 1 26 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.617 -2.476 25411 14155 1 26 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.373 0.567 25411 14156 1 26 . 1 1 104 104 ALA H H 104 8.367 8.367 7.639 0.728 25411 14157 1 26 . 1 1 105 105 GLN N N 105 120.265 120.265 115.515 4.750 25411 14158 1 26 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.808 0.123 25411 14159 1 26 . 1 1 105 105 GLN CB C 105 29.020 29.020 30.049 -1.029 25411 14160 1 26 . 1 1 105 105 GLN H H 105 8.356 8.356 7.786 0.570 25411 14161 1 26 . 1 1 106 106 THR HA H 106 4.320 4.320 4.405 -0.085 25411 14162 1 26 . 1 1 106 106 THR CA C 106 61.346 61.346 64.225 -2.878 25411 14163 1 26 . 1 1 106 106 THR CB C 106 69.293 69.293 69.602 -0.309 25411 14164 1 26 . 1 1 107 107 GLU N N 107 122.706 122.706 121.018 1.688 25411 14165 1 26 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.201 -0.019 25411 14166 1 26 . 1 1 107 107 GLU CA C 107 56.576 56.576 57.779 -1.203 25411 14167 1 26 . 1 1 107 107 GLU CB C 107 29.936 29.936 30.742 -0.806 25411 14168 1 26 . 1 1 107 107 GLU H H 107 8.404 8.404 7.663 0.741 25411 14169 1 26 . 1 1 108 108 GLU N N 108 122.034 122.034 115.267 6.767 25411 14170 1 26 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.036 0.125 25411 14171 1 26 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.202 -0.553 25411 14172 1 26 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.631 0.045 25411 14173 1 26 . 1 1 108 108 GLU H H 108 7.341 7.341 8.035 -0.694 25411 14174 1 26 . 1 1 109 109 ILE N N 109 122.151 122.151 116.297 5.854 25411 14175 1 26 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.327 -0.280 25411 14176 1 26 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.857 -1.292 25411 14177 1 26 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.113 -0.009 25411 14178 1 26 . 1 1 109 109 ILE H H 109 8.058 8.058 8.758 -0.700 25411 14179 1 26 . 1 1 110 110 LEU N N 110 122.427 122.427 121.181 1.246 25411 14180 1 26 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.138 0.138 25411 14181 1 26 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.101 -0.950 25411 14182 1 26 . 1 1 110 110 LEU CB C 110 32.255 32.255 41.151 -8.896 25411 14183 1 26 . 1 1 110 110 LEU H H 110 8.194 8.194 7.730 0.464 25411 14184 1 26 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.172 0.075 25411 14185 1 26 . 1 1 111 111 LYS CA C 111 56.137 56.137 57.226 -1.089 25411 14186 1 26 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.096 0.473 25411 14187 1 26 . 1 1 112 112 SER N N 112 116.453 116.453 113.625 2.828 25411 14188 1 26 . 1 1 112 112 SER HA H 112 4.175 4.175 4.003 0.172 25411 14189 1 26 . 1 1 112 112 SER CA C 112 58.311 58.311 60.433 -2.122 25411 14190 1 26 . 1 1 112 112 SER CB C 112 63.441 63.441 62.744 0.697 25411 14191 1 26 . 1 1 112 112 SER H H 112 8.204 8.204 8.162 0.042 25411 14192 1 26 . 1 1 113 113 ASN N N 113 119.747 119.747 117.304 2.443 25411 14193 1 26 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.837 -0.193 25411 14194 1 26 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.592 1.053 25411 14195 1 26 . 1 1 113 113 ASN CB C 113 38.646 38.646 40.196 -1.550 25411 14196 1 26 . 1 1 113 113 ASN H H 113 7.944 7.944 7.912 0.032 25411 14197 1 26 . 1 1 114 114 SER N N 114 115.433 115.433 115.608 -0.175 25411 14198 1 26 . 1 1 114 114 SER HA H 114 4.336 4.336 4.512 -0.176 25411 14199 1 26 . 1 1 114 114 SER CA C 114 58.711 58.711 59.277 -0.566 25411 14200 1 26 . 1 1 114 114 SER CB C 114 63.308 63.308 61.869 1.439 25411 14201 1 26 . 1 1 114 114 SER H H 114 7.962 7.962 8.593 -0.631 25411 14202 1 26 . 1 1 115 115 GLN N N 115 121.682 121.682 121.964 -0.282 25411 14203 1 26 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.574 -0.300 25411 14204 1 26 . 1 1 115 115 GLN CA C 115 56.193 56.193 54.169 2.024 25411 14205 1 26 . 1 1 115 115 GLN CB C 115 28.807 28.807 32.047 -3.240 25411 14206 1 26 . 1 1 115 115 GLN H H 115 8.207 8.207 8.210 -0.003 25411 14207 1 26 . 1 1 116 116 THR N N 116 114.715 114.715 111.473 3.242 25411 14208 1 26 . 1 1 116 116 THR HA H 116 4.225 4.225 4.702 -0.477 25411 14209 1 26 . 1 1 116 116 THR CA C 116 62.109 62.109 59.159 2.950 25411 14210 1 26 . 1 1 116 116 THR CB C 116 69.336 69.336 71.513 -2.177 25411 14211 1 26 . 1 1 116 116 THR H H 116 8.062 8.062 7.810 0.252 25411 14212 1 26 . 1 1 117 117 ASP N N 117 122.602 122.602 121.014 1.588 25411 14213 1 26 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.310 0.258 25411 14214 1 26 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.907 -2.703 25411 14215 1 26 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.096 0.569 25411 14216 1 26 . 1 1 117 117 ASP H H 117 8.065 8.065 8.816 -0.751 25411 14217 1 26 . 1 1 118 118 LEU N N 118 122.140 122.140 119.097 3.043 25411 14218 1 26 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.307 -0.152 25411 14219 1 26 . 1 1 118 118 LEU CA C 118 55.423 55.423 54.636 0.787 25411 14220 1 26 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.319 0.554 25411 14221 1 26 . 1 1 118 118 LEU H H 118 8.085 8.085 7.728 0.357 25411 14222 1 26 . 1 1 119 119 GLU N N 119 119.672 119.672 115.540 4.132 25411 14223 1 26 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.631 0.437 25411 14224 1 26 . 1 1 119 119 GLU CA C 119 56.565 56.565 58.532 -1.967 25411 14225 1 26 . 1 1 119 119 GLU CB C 119 29.572 29.572 28.354 1.218 25411 14226 1 26 . 1 1 119 119 GLU H H 119 8.143 8.143 7.989 0.154 25411 14227 1 26 . 1 1 120 120 HIS N N 120 118.301 118.301 116.531 1.770 25411 14228 1 26 . 1 1 120 120 HIS CA C 120 55.883 55.883 56.856 -0.973 25411 14229 1 26 . 1 1 120 120 HIS CB C 120 29.270 29.270 32.300 -3.030 25411 14230 1 26 . 1 1 120 120 HIS H H 120 8.107 8.107 8.053 0.054 25411 14231 1 26 . 1 1 121 121 HIS HA H 121 4.008 4.008 5.019 -1.011 25411 14232 1 26 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.600 -0.434 25411 14233 1 26 . 1 1 121 121 HIS CB C 121 28.759 28.759 30.136 -1.377 25411 14234 1 26 . 1 1 122 122 HIS N N 122 122.407 122.407 119.586 2.821 25411 14235 1 26 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.476 -0.258 25411 14236 1 26 . 1 1 122 122 HIS CA C 122 56.081 56.081 55.985 0.096 25411 14237 1 26 . 1 1 122 122 HIS CB C 122 29.371 29.371 30.585 -1.214 25411 14238 1 26 . 1 1 122 122 HIS H H 122 8.489 8.489 8.552 -0.063 25411 14239 1 26 . 1 1 123 123 HIS N N 123 122.868 122.868 118.890 3.978 25411 14240 1 26 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.612 -0.225 25411 14241 1 26 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.339 -0.028 25411 14242 1 26 . 1 1 123 123 HIS CB C 123 29.502 29.502 27.695 1.807 25411 14243 1 26 . 1 1 123 123 HIS H H 123 8.596 8.596 8.545 0.051 25411 14244 1 26 . 1 1 124 124 HIS N N 124 123.734 123.734 124.059 -0.325 25411 14245 1 26 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.844 -0.287 25411 14246 1 26 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.279 1.106 25411 14247 1 26 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.727 0.631 25411 14248 1 26 . 1 1 124 124 HIS H H 124 8.255 8.255 8.126 0.129 25411 14249 1 27 . 1 1 3 3 GLN N N 3 122.360 122.360 120.513 1.847 25411 14250 1 27 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.471 -0.583 25411 14251 1 27 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.520 2.222 25411 14252 1 27 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.702 -0.319 25411 14253 1 27 . 1 1 3 3 GLN H H 3 9.398 9.398 8.514 0.884 25411 14254 1 27 . 1 1 4 4 GLU N N 4 119.689 119.689 120.080 -0.391 25411 14255 1 27 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.173 0.501 25411 14256 1 27 . 1 1 4 4 GLU CA C 4 57.807 57.807 58.106 -0.299 25411 14257 1 27 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.882 -0.182 25411 14258 1 27 . 1 1 4 4 GLU H H 4 7.464 7.464 8.852 -1.388 25411 14259 1 27 . 1 1 5 5 LEU N N 5 114.872 114.872 122.098 -7.226 25411 14260 1 27 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.200 -0.499 25411 14261 1 27 . 1 1 5 5 LEU CA C 5 57.738 57.738 57.843 -0.105 25411 14262 1 27 . 1 1 5 5 LEU CB C 5 40.815 40.815 42.056 -1.240 25411 14263 1 27 . 1 1 5 5 LEU H H 5 8.206 8.206 7.670 0.536 25411 14264 1 27 . 1 1 6 6 SER N N 6 109.762 109.762 112.915 -3.153 25411 14265 1 27 . 1 1 6 6 SER HA H 6 4.092 4.092 4.161 -0.069 25411 14266 1 27 . 1 1 6 6 SER CA C 6 60.415 60.415 61.958 -1.542 25411 14267 1 27 . 1 1 6 6 SER CB C 6 63.391 63.391 62.628 0.763 25411 14268 1 27 . 1 1 6 6 SER H H 6 8.253 8.253 8.364 -0.111 25411 14269 1 27 . 1 1 7 7 GLN N N 7 117.498 117.498 122.897 -5.399 25411 14270 1 27 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.201 -0.246 25411 14271 1 27 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.434 -0.008 25411 14272 1 27 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.553 0.186 25411 14273 1 27 . 1 1 7 7 GLN H H 7 8.673 8.673 7.860 0.813 25411 14274 1 27 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.042 -0.245 25411 14275 1 27 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.476 -0.421 25411 14276 1 27 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.188 -1.079 25411 14277 1 27 . 1 1 9 9 GLU N N 9 120.354 120.354 119.279 1.075 25411 14278 1 27 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.237 -0.278 25411 14279 1 27 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.528 0.730 25411 14280 1 27 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.894 -0.667 25411 14281 1 27 . 1 1 9 9 GLU H H 9 7.690 7.690 8.639 -0.949 25411 14282 1 27 . 1 1 10 10 ARG N N 10 118.753 118.753 119.971 -1.218 25411 14283 1 27 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.091 0.008 25411 14284 1 27 . 1 1 10 10 ARG CA C 10 58.221 58.221 58.921 -0.700 25411 14285 1 27 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.084 -0.989 25411 14286 1 27 . 1 1 10 10 ARG H H 10 8.928 8.928 8.142 0.786 25411 14287 1 27 . 1 1 11 11 TYR N N 11 121.288 121.288 119.412 1.876 25411 14288 1 27 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.229 -0.040 25411 14289 1 27 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.190 -0.954 25411 14290 1 27 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.327 -0.466 25411 14291 1 27 . 1 1 11 11 TYR H H 11 7.562 7.562 8.892 -1.330 25411 14292 1 27 . 1 1 12 12 VAL N N 12 119.304 119.304 119.695 -0.391 25411 14293 1 27 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.671 -0.588 25411 14294 1 27 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.407 0.428 25411 14295 1 27 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.286 -0.187 25411 14296 1 27 . 1 1 12 12 VAL H H 12 8.075 8.075 7.742 0.333 25411 14297 1 27 . 1 1 13 13 GLU N N 13 119.685 119.685 119.340 0.345 25411 14298 1 27 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.040 0.115 25411 14299 1 27 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.175 0.250 25411 14300 1 27 . 1 1 13 13 GLU CB C 13 29.188 29.188 28.893 0.295 25411 14301 1 27 . 1 1 13 13 GLU H H 13 8.278 8.278 7.727 0.551 25411 14302 1 27 . 1 1 14 14 GLN N N 14 119.682 119.682 120.095 -0.413 25411 14303 1 27 . 1 1 14 14 GLN HA H 14 3.656 3.656 3.965 -0.309 25411 14304 1 27 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.937 1.032 25411 14305 1 27 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.565 1.108 25411 14306 1 27 . 1 1 14 14 GLN H H 14 7.653 7.653 8.063 -0.410 25411 14307 1 27 . 1 1 15 15 LEU N N 15 121.000 121.000 119.583 1.417 25411 14308 1 27 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.069 -0.148 25411 14309 1 27 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.486 0.969 25411 14310 1 27 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.277 -0.517 25411 14311 1 27 . 1 1 15 15 LEU H H 15 8.402 8.402 8.433 -0.031 25411 14312 1 27 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.870 -0.174 25411 14313 1 27 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.282 -0.024 25411 14314 1 27 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.267 -0.132 25411 14315 1 27 . 1 1 17 17 GLN N N 17 117.558 117.558 118.482 -0.924 25411 14316 1 27 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.071 -0.184 25411 14317 1 27 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.691 -0.249 25411 14318 1 27 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.727 -0.682 25411 14319 1 27 . 1 1 17 17 GLN H H 17 7.849 7.849 7.811 0.038 25411 14320 1 27 . 1 1 18 18 ALA N N 18 120.288 120.288 123.191 -2.903 25411 14321 1 27 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.163 -0.375 25411 14322 1 27 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.916 -0.023 25411 14323 1 27 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.601 -1.205 25411 14324 1 27 . 1 1 18 18 ALA H H 18 8.504 8.504 8.385 0.119 25411 14325 1 27 . 1 1 19 19 LEU N N 19 116.974 116.974 118.166 -1.192 25411 14326 1 27 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.067 -0.308 25411 14327 1 27 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.953 0.599 25411 14328 1 27 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.786 -1.093 25411 14329 1 27 . 1 1 19 19 LEU H H 19 8.143 8.143 8.424 -0.281 25411 14330 1 27 . 1 1 20 20 LYS N N 20 117.776 117.776 121.812 -4.036 25411 14331 1 27 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.089 -0.134 25411 14332 1 27 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.577 -0.033 25411 14333 1 27 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.416 -1.930 25411 14334 1 27 . 1 1 20 20 LYS H H 20 8.340 8.340 8.120 0.220 25411 14335 1 27 . 1 1 21 21 THR N N 21 116.373 116.373 112.441 3.932 25411 14336 1 27 . 1 1 21 21 THR HA H 21 4.107 4.107 4.199 -0.092 25411 14337 1 27 . 1 1 21 21 THR CA C 21 64.611 64.611 64.595 0.016 25411 14338 1 27 . 1 1 21 21 THR CB C 21 68.811 68.811 68.368 0.443 25411 14339 1 27 . 1 1 21 21 THR H H 21 7.302 7.302 7.977 -0.675 25411 14340 1 27 . 1 1 22 22 ARG N N 22 118.647 118.647 119.569 -0.922 25411 14341 1 27 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.448 -0.086 25411 14342 1 27 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.813 -1.748 25411 14343 1 27 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.174 -1.646 25411 14344 1 27 . 1 1 22 22 ARG H H 22 7.290 7.290 7.818 -0.528 25411 14345 1 27 . 1 1 23 23 GLY N N 23 108.637 108.637 107.548 1.089 25411 14346 1 27 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.665 0.447 25411 14347 1 27 . 1 1 23 23 GLY H H 23 7.881 7.881 7.699 0.182 25411 14348 1 27 . 1 1 24 24 VAL N N 24 117.390 117.390 123.095 -5.705 25411 14349 1 27 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.730 0.284 25411 14350 1 27 . 1 1 24 24 VAL CA C 24 61.668 61.668 63.126 -1.458 25411 14351 1 27 . 1 1 24 24 VAL CB C 24 32.372 32.372 29.057 3.315 25411 14352 1 27 . 1 1 24 24 VAL H H 24 7.333 7.333 7.461 -0.128 25411 14353 1 27 . 1 1 25 25 LYS N N 25 127.322 127.322 119.111 8.211 25411 14354 1 27 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.915 0.417 25411 14355 1 27 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.743 -1.981 25411 14356 1 27 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.561 0.200 25411 14357 1 27 . 1 1 25 25 LYS H H 25 8.722 8.722 8.300 0.422 25411 14358 1 27 . 1 1 26 26 VAL N N 26 120.568 120.568 119.933 0.635 25411 14359 1 27 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.211 -0.133 25411 14360 1 27 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.110 -0.445 25411 14361 1 27 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.699 -0.052 25411 14362 1 27 . 1 1 26 26 VAL H H 26 7.119 7.119 8.125 -1.006 25411 14363 1 27 . 1 1 27 27 LYS N N 27 125.675 125.675 124.801 0.874 25411 14364 1 27 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.440 -0.114 25411 14365 1 27 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.237 0.174 25411 14366 1 27 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.724 -2.765 25411 14367 1 27 . 1 1 27 27 LYS H H 27 8.570 8.570 8.096 0.474 25411 14368 1 27 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.540 -0.523 25411 14369 1 27 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.662 -2.250 25411 14370 1 27 . 1 1 28 28 TYR CB C 28 40.840 40.840 39.178 1.661 25411 14371 1 27 . 1 1 29 29 ALA N N 29 120.743 120.743 128.257 -7.514 25411 14372 1 27 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.175 -0.507 25411 14373 1 27 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.150 -0.472 25411 14374 1 27 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.167 -1.167 25411 14375 1 27 . 1 1 29 29 ALA H H 29 8.323 8.323 8.869 -0.546 25411 14376 1 27 . 1 1 30 30 ASP N N 30 117.202 117.202 117.885 -0.683 25411 14377 1 27 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.431 -0.150 25411 14378 1 27 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.287 0.266 25411 14379 1 27 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.986 -0.179 25411 14380 1 27 . 1 1 30 30 ASP H H 30 6.872 6.872 8.504 -1.632 25411 14381 1 27 . 1 1 31 31 LEU N N 31 122.273 122.273 119.589 2.684 25411 14382 1 27 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.322 -0.776 25411 14383 1 27 . 1 1 31 31 LEU CA C 31 56.725 56.725 57.055 -0.330 25411 14384 1 27 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.402 -1.744 25411 14385 1 27 . 1 1 31 31 LEU H H 31 7.433 7.433 7.673 -0.240 25411 14386 1 27 . 1 1 32 32 LEU N N 32 123.376 123.376 118.563 4.813 25411 14387 1 27 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.164 -0.549 25411 14388 1 27 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.765 0.331 25411 14389 1 27 . 1 1 32 32 LEU CB C 32 40.542 40.542 42.036 -1.494 25411 14390 1 27 . 1 1 32 32 LEU H H 32 8.727 8.727 7.882 0.845 25411 14391 1 27 . 1 1 33 33 LYS N N 33 118.078 118.078 120.792 -2.714 25411 14392 1 27 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.546 -0.333 25411 14393 1 27 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.463 -0.365 25411 14394 1 27 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.024 -0.134 25411 14395 1 27 . 1 1 33 33 LYS H H 33 7.149 7.149 7.550 -0.401 25411 14396 1 27 . 1 1 34 34 PHE N N 34 117.398 117.398 120.207 -2.809 25411 14397 1 27 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.735 -5.040 25411 14398 1 27 . 1 1 34 34 PHE CB C 34 41.219 41.219 38.945 2.274 25411 14399 1 27 . 1 1 34 34 PHE H H 34 7.633 7.633 8.166 -0.533 25411 14400 1 27 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.093 -0.300 25411 14401 1 27 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.959 -0.367 25411 14402 1 27 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.405 -2.391 25411 14403 1 27 . 1 1 36 36 ASP N N 36 120.136 120.136 119.442 0.694 25411 14404 1 27 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.373 -0.277 25411 14405 1 27 . 1 1 36 36 ASP CA C 36 56.941 56.941 56.852 0.089 25411 14406 1 27 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.166 -1.062 25411 14407 1 27 . 1 1 36 36 ASP H H 36 8.330 8.330 8.815 -0.485 25411 14408 1 27 . 1 1 37 37 PHE N N 37 121.883 121.883 121.370 0.513 25411 14409 1 27 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.241 0.017 25411 14410 1 27 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.576 -1.878 25411 14411 1 27 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.494 0.691 25411 14412 1 27 . 1 1 37 37 PHE H H 37 7.794 7.794 8.493 -0.699 25411 14413 1 27 . 1 1 38 38 VAL N N 38 118.525 118.525 119.336 -0.811 25411 14414 1 27 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.749 -0.710 25411 14415 1 27 . 1 1 38 38 VAL CA C 38 66.882 66.882 65.882 1.000 25411 14416 1 27 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.309 -0.621 25411 14417 1 27 . 1 1 38 38 VAL H H 38 8.262 8.262 7.894 0.368 25411 14418 1 27 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.961 -0.505 25411 14419 1 27 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.360 -0.306 25411 14420 1 27 . 1 1 39 39 LYS CB C 39 31.696 31.696 32.130 -0.434 25411 14421 1 27 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.653 -0.208 25411 14422 1 27 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.568 0.417 25411 14423 1 27 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.853 -1.161 25411 14424 1 27 . 1 1 41 41 ILE N N 41 120.641 120.641 117.564 3.077 25411 14425 1 27 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.154 -0.129 25411 14426 1 27 . 1 1 41 41 ILE CA C 41 61.652 61.652 63.582 -1.930 25411 14427 1 27 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.443 -0.379 25411 14428 1 27 . 1 1 41 41 ILE H H 41 8.788 8.788 7.820 0.968 25411 14429 1 27 . 1 1 42 42 CYS N N 42 117.896 117.896 114.579 3.317 25411 14430 1 27 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.300 0.872 25411 14431 1 27 . 1 1 42 42 CYS CB C 42 28.324 28.324 27.507 0.817 25411 14432 1 27 . 1 1 42 42 CYS H H 42 7.180 7.180 7.505 -0.325 25411 14433 1 27 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.155 0.160 25411 14434 1 27 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.951 0.052 25411 14435 1 27 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.049 -0.334 25411 14436 1 27 . 1 1 44 44 TRP N N 44 113.823 113.823 115.543 -1.720 25411 14437 1 27 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.538 -0.233 25411 14438 1 27 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.227 -1.829 25411 14439 1 27 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.505 -1.694 25411 14440 1 27 . 1 1 44 44 TRP H H 44 6.591 6.591 7.953 -1.362 25411 14441 1 27 . 1 1 45 45 PHE N N 45 123.100 123.100 116.469 6.631 25411 14442 1 27 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.008 -1.007 25411 14443 1 27 . 1 1 45 45 PHE CA C 45 62.809 62.809 55.425 7.384 25411 14444 1 27 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.029 -3.094 25411 14445 1 27 . 1 1 45 45 PHE H H 45 7.239 7.239 7.938 -0.699 25411 14446 1 27 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.345 -0.333 25411 14447 1 27 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.466 0.065 25411 14448 1 27 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.689 -1.202 25411 14449 1 27 . 1 1 47 47 GLN N N 47 114.502 114.502 116.616 -2.114 25411 14450 1 27 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.175 -0.238 25411 14451 1 27 . 1 1 47 47 GLN CA C 47 58.404 58.404 57.942 0.462 25411 14452 1 27 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.682 0.638 25411 14453 1 27 . 1 1 47 47 GLN H H 47 6.518 6.518 8.571 -2.053 25411 14454 1 27 . 1 1 48 48 GLU N N 48 117.358 117.358 119.010 -1.652 25411 14455 1 27 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.290 -0.252 25411 14456 1 27 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.766 1.406 25411 14457 1 27 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.615 -1.661 25411 14458 1 27 . 1 1 48 48 GLU H H 48 7.318 7.318 7.935 -0.617 25411 14459 1 27 . 1 1 49 49 GLY N N 49 105.534 105.534 108.924 -3.390 25411 14460 1 27 . 1 1 49 49 GLY CA C 49 47.303 47.303 46.141 1.162 25411 14461 1 27 . 1 1 49 49 GLY H H 49 7.296 7.296 8.289 -0.993 25411 14462 1 27 . 1 1 50 50 THR N N 50 114.069 114.069 113.570 0.499 25411 14463 1 27 . 1 1 50 50 THR HA H 50 4.234 4.234 4.597 -0.363 25411 14464 1 27 . 1 1 50 50 THR CA C 50 61.683 61.683 60.438 1.245 25411 14465 1 27 . 1 1 50 50 THR CB C 50 70.718 70.718 71.178 -0.460 25411 14466 1 27 . 1 1 50 50 THR H H 50 7.597 7.597 7.562 0.035 25411 14467 1 27 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.406 -0.281 25411 14468 1 27 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.724 -1.853 25411 14469 1 27 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.421 -4.133 25411 14470 1 27 . 1 1 52 52 ASP N N 52 121.791 121.791 123.680 -1.889 25411 14471 1 27 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.696 -0.073 25411 14472 1 27 . 1 1 52 52 ASP CA C 52 51.732 51.732 53.007 -1.275 25411 14473 1 27 . 1 1 52 52 ASP CB C 52 42.461 42.461 43.631 -1.170 25411 14474 1 27 . 1 1 52 52 ASP H H 52 7.168 7.168 8.079 -0.911 25411 14475 1 27 . 1 1 53 53 ILE N N 53 119.537 119.537 118.076 1.461 25411 14476 1 27 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.588 -0.453 25411 14477 1 27 . 1 1 53 53 ILE CA C 53 61.796 61.796 61.766 0.030 25411 14478 1 27 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.956 -2.141 25411 14479 1 27 . 1 1 53 53 ILE H H 53 8.336 8.336 8.574 -0.238 25411 14480 1 27 . 1 1 54 54 LYS N N 54 123.592 123.592 122.137 1.455 25411 14481 1 27 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.234 -0.129 25411 14482 1 27 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.035 -0.063 25411 14483 1 27 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.315 -0.567 25411 14484 1 27 . 1 1 54 54 LYS H H 54 8.104 8.104 8.088 0.017 25411 14485 1 27 . 1 1 55 55 ARG N N 55 120.511 120.511 118.816 1.695 25411 14486 1 27 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.086 0.215 25411 14487 1 27 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.339 0.564 25411 14488 1 27 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.206 -0.150 25411 14489 1 27 . 1 1 55 55 ARG H H 55 9.196 9.196 9.154 0.042 25411 14490 1 27 . 1 1 56 56 TRP N N 56 120.681 120.681 122.222 -1.541 25411 14491 1 27 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.478 0.225 25411 14492 1 27 . 1 1 56 56 TRP CA C 56 59.406 59.406 59.643 -0.237 25411 14493 1 27 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.151 0.863 25411 14494 1 27 . 1 1 56 56 TRP H H 56 8.899 8.899 8.879 0.020 25411 14495 1 27 . 1 1 57 57 ARG N N 57 122.115 122.115 120.058 2.057 25411 14496 1 27 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.236 1.171 25411 14497 1 27 . 1 1 57 57 ARG CA C 57 60.027 60.027 58.336 1.691 25411 14498 1 27 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.427 0.358 25411 14499 1 27 . 1 1 57 57 ARG H H 57 9.210 9.210 7.813 1.397 25411 14500 1 27 . 1 1 58 58 ARG N N 58 120.918 120.918 119.177 1.741 25411 14501 1 27 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.638 0.207 25411 14502 1 27 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.092 -0.363 25411 14503 1 27 . 1 1 58 58 ARG H H 58 7.640 7.640 7.593 0.047 25411 14504 1 27 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.655 0.109 25411 14505 1 27 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.799 0.202 25411 14506 1 27 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.534 -0.702 25411 14507 1 27 . 1 1 59 59 VAL H H 59 7.916 7.916 7.716 0.200 25411 14508 1 27 . 1 1 60 60 GLY N N 60 106.856 106.856 107.155 -0.299 25411 14509 1 27 . 1 1 60 60 GLY CA C 60 46.081 46.081 46.927 -0.846 25411 14510 1 27 . 1 1 60 60 GLY H H 60 7.623 7.623 8.296 -0.673 25411 14511 1 27 . 1 1 61 61 ASP N N 61 123.308 123.308 122.065 1.243 25411 14512 1 27 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.274 -0.049 25411 14513 1 27 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.021 -0.221 25411 14514 1 27 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.675 -1.191 25411 14515 1 27 . 1 1 61 61 ASP H H 61 8.203 8.203 7.656 0.547 25411 14516 1 27 . 1 1 62 62 CYS N N 62 120.841 120.841 118.352 2.489 25411 14517 1 27 . 1 1 62 62 CYS HA H 62 4.238 4.238 3.959 0.279 25411 14518 1 27 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.140 -1.190 25411 14519 1 27 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.650 -0.147 25411 14520 1 27 . 1 1 62 62 CYS H H 62 7.795 7.795 7.467 0.328 25411 14521 1 27 . 1 1 63 63 PHE N N 63 119.763 119.763 118.447 1.316 25411 14522 1 27 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.264 0.014 25411 14523 1 27 . 1 1 63 63 PHE CA C 63 58.657 58.657 60.904 -2.247 25411 14524 1 27 . 1 1 63 63 PHE CB C 63 36.990 36.990 37.955 -0.965 25411 14525 1 27 . 1 1 63 63 PHE H H 63 8.647 8.647 7.521 1.126 25411 14526 1 27 . 1 1 64 64 GLN N N 64 118.578 118.578 119.652 -1.074 25411 14527 1 27 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.005 0.303 25411 14528 1 27 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.817 0.516 25411 14529 1 27 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.138 0.441 25411 14530 1 27 . 1 1 64 64 GLN H H 64 8.261 8.261 8.154 0.107 25411 14531 1 27 . 1 1 65 65 ASP N N 65 119.534 119.534 121.561 -2.027 25411 14532 1 27 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.398 0.086 25411 14533 1 27 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.042 0.287 25411 14534 1 27 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.955 -1.284 25411 14535 1 27 . 1 1 65 65 ASP H H 65 8.338 8.338 8.501 -0.163 25411 14536 1 27 . 1 1 66 66 TYR N N 66 123.600 123.600 122.063 1.537 25411 14537 1 27 . 1 1 66 66 TYR HA H 66 4.502 4.502 4.121 0.381 25411 14538 1 27 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.340 -1.109 25411 14539 1 27 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.642 -0.209 25411 14540 1 27 . 1 1 66 66 TYR H H 66 7.804 7.804 8.431 -0.627 25411 14541 1 27 . 1 1 67 67 TYR N N 67 122.825 122.825 119.029 3.796 25411 14542 1 27 . 1 1 67 67 TYR HA H 67 3.997 3.997 4.030 -0.033 25411 14543 1 27 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.764 0.139 25411 14544 1 27 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.580 0.366 25411 14545 1 27 . 1 1 67 67 TYR H H 67 9.100 9.100 8.509 0.591 25411 14546 1 27 . 1 1 68 68 ASN N N 68 118.826 118.826 116.827 1.999 25411 14547 1 27 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.334 -0.051 25411 14548 1 27 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.630 -0.198 25411 14549 1 27 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.443 -0.567 25411 14550 1 27 . 1 1 68 68 ASN H H 68 8.853 8.853 8.508 0.345 25411 14551 1 27 . 1 1 69 69 THR N N 69 114.242 114.242 113.834 0.408 25411 14552 1 27 . 1 1 69 69 THR HA H 69 3.837 3.837 3.864 -0.027 25411 14553 1 27 . 1 1 69 69 THR CA C 69 65.328 65.328 65.612 -0.284 25411 14554 1 27 . 1 1 69 69 THR CB C 69 69.249 69.249 68.427 0.822 25411 14555 1 27 . 1 1 69 69 THR H H 69 7.847 7.847 7.975 -0.128 25411 14556 1 27 . 1 1 70 70 PHE N N 70 117.970 117.970 118.192 -0.222 25411 14557 1 27 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.619 -0.055 25411 14558 1 27 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.007 0.235 25411 14559 1 27 . 1 1 70 70 PHE CB C 70 41.074 41.074 39.576 1.498 25411 14560 1 27 . 1 1 70 70 PHE H H 70 8.489 8.489 7.309 1.180 25411 14561 1 27 . 1 1 71 71 GLY N N 71 109.516 109.516 105.774 3.742 25411 14562 1 27 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.574 0.458 25411 14563 1 27 . 1 1 71 71 GLY H H 71 7.968 7.968 8.034 -0.066 25411 14564 1 27 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.483 0.228 25411 14565 1 27 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.618 0.679 25411 14566 1 27 . 1 1 72 72 PRO CB C 72 31.744 31.744 32.182 -0.438 25411 14567 1 27 . 1 1 73 73 GLU N N 73 117.720 117.720 124.813 -7.093 25411 14568 1 27 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.200 -0.301 25411 14569 1 27 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.729 0.007 25411 14570 1 27 . 1 1 73 73 GLU CB C 73 28.863 28.863 30.144 -1.281 25411 14571 1 27 . 1 1 73 73 GLU H H 73 8.586 8.586 8.863 -0.277 25411 14572 1 27 . 1 1 74 74 LYS N N 74 116.974 116.974 118.623 -1.649 25411 14573 1 27 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.500 -0.111 25411 14574 1 27 . 1 1 74 74 LYS CA C 74 55.185 55.185 56.527 -1.342 25411 14575 1 27 . 1 1 74 74 LYS CB C 74 34.087 34.087 33.086 1.001 25411 14576 1 27 . 1 1 74 74 LYS H H 74 7.505 7.505 8.346 -0.841 25411 14577 1 27 . 1 1 75 75 VAL N N 75 117.309 117.309 121.845 -4.536 25411 14578 1 27 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.540 -0.227 25411 14579 1 27 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.184 1.861 25411 14580 1 27 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.928 -0.944 25411 14581 1 27 . 1 1 75 75 VAL H H 75 7.402 7.402 7.914 -0.512 25411 14582 1 27 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.625 -0.063 25411 14583 1 27 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.847 -1.160 25411 14584 1 27 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.739 -1.008 25411 14585 1 27 . 1 1 77 77 VAL N N 77 120.870 120.870 123.429 -2.559 25411 14586 1 27 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.138 -0.310 25411 14587 1 27 . 1 1 77 77 VAL CA C 77 65.838 65.838 63.964 1.874 25411 14588 1 27 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.065 -0.678 25411 14589 1 27 . 1 1 77 77 VAL H H 77 8.473 8.473 8.655 -0.182 25411 14590 1 27 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.582 0.270 25411 14591 1 27 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.143 -3.018 25411 14592 1 27 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.856 0.279 25411 14593 1 27 . 1 1 78 78 ILE H H 78 8.388 8.388 8.085 0.302 25411 14594 1 27 . 1 1 79 79 ALA N N 79 123.960 123.960 123.003 0.957 25411 14595 1 27 . 1 1 79 79 ALA HA H 79 3.890 3.890 3.596 0.294 25411 14596 1 27 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.345 0.544 25411 14597 1 27 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.240 -0.617 25411 14598 1 27 . 1 1 79 79 ALA H H 79 7.953 7.953 7.509 0.444 25411 14599 1 27 . 1 1 80 80 PHE N N 80 114.330 114.330 114.595 -0.265 25411 14600 1 27 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.509 -0.078 25411 14601 1 27 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.846 1.466 25411 14602 1 27 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.249 -1.593 25411 14603 1 27 . 1 1 80 80 PHE H H 80 7.499 7.499 7.970 -0.471 25411 14604 1 27 . 1 1 81 81 SER N N 81 115.971 115.971 115.502 0.469 25411 14605 1 27 . 1 1 81 81 SER HA H 81 4.206 4.206 4.271 -0.065 25411 14606 1 27 . 1 1 81 81 SER CA C 81 58.432 58.432 60.665 -2.233 25411 14607 1 27 . 1 1 81 81 SER CB C 81 63.575 63.575 63.447 0.128 25411 14608 1 27 . 1 1 81 81 SER H H 81 8.225 8.225 7.475 0.750 25411 14609 1 27 . 1 1 82 82 TYR N N 82 121.997 121.997 121.407 0.590 25411 14610 1 27 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.478 -0.031 25411 14611 1 27 . 1 1 82 82 TYR CA C 82 55.885 55.885 58.914 -3.029 25411 14612 1 27 . 1 1 82 82 TYR CB C 82 37.838 37.838 37.516 0.322 25411 14613 1 27 . 1 1 82 82 TYR H H 82 8.378 8.378 7.091 1.287 25411 14614 1 27 . 1 1 83 83 TRP N N 83 120.268 120.268 121.925 -1.657 25411 14615 1 27 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.812 -5.419 25411 14616 1 27 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.801 -0.907 25411 14617 1 27 . 1 1 83 83 TRP H H 83 8.546 8.546 9.550 -1.004 25411 14618 1 27 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.265 -0.045 25411 14619 1 27 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.882 -0.253 25411 14620 1 27 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.803 1.262 25411 14621 1 27 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.275 -0.229 25411 14622 1 27 . 1 1 85 85 LEU CA C 85 58.142 58.142 56.965 1.177 25411 14623 1 27 . 1 1 85 85 LEU CB C 85 41.692 41.692 42.041 -0.349 25411 14624 1 27 . 1 1 86 86 ILE N N 86 117.000 117.000 120.139 -3.139 25411 14625 1 27 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.480 -0.034 25411 14626 1 27 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.694 -2.411 25411 14627 1 27 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.056 -1.643 25411 14628 1 27 . 1 1 86 86 ILE H H 86 7.882 7.882 7.733 0.149 25411 14629 1 27 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.767 -0.541 25411 14630 1 27 . 1 1 87 87 LYS CA C 87 59.996 59.996 58.932 1.064 25411 14631 1 27 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.541 -0.491 25411 14632 1 27 . 1 1 88 88 GLU N N 88 116.404 116.404 117.693 -1.289 25411 14633 1 27 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.379 -0.532 25411 14634 1 27 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.290 0.621 25411 14635 1 27 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.026 -0.057 25411 14636 1 27 . 1 1 88 88 GLU H H 88 7.689 7.689 7.774 -0.085 25411 14637 1 27 . 1 1 89 89 LEU N N 89 118.193 118.193 121.445 -3.252 25411 14638 1 27 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.171 -0.282 25411 14639 1 27 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.743 1.220 25411 14640 1 27 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.173 -0.873 25411 14641 1 27 . 1 1 89 89 LEU H H 89 7.415 7.415 7.606 -0.191 25411 14642 1 27 . 1 1 90 90 ILE N N 90 115.471 115.471 119.986 -4.515 25411 14643 1 27 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.691 -0.273 25411 14644 1 27 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.000 0.908 25411 14645 1 27 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.630 -0.036 25411 14646 1 27 . 1 1 90 90 ILE H H 90 7.718 7.718 7.485 0.233 25411 14647 1 27 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.541 -0.821 25411 14648 1 27 . 1 1 91 91 ASP CA C 91 57.664 57.664 57.044 0.620 25411 14649 1 27 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.197 0.335 25411 14650 1 27 . 1 1 92 92 LYS N N 92 119.253 119.253 119.054 0.199 25411 14651 1 27 . 1 1 92 92 LYS CA C 92 58.897 58.897 57.637 1.260 25411 14652 1 27 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.062 -0.074 25411 14653 1 27 . 1 1 92 92 LYS H H 92 7.869 7.869 7.573 0.296 25411 14654 1 27 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.979 0.552 25411 14655 1 27 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.595 -3.337 25411 14656 1 27 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.936 0.233 25411 14657 1 27 . 1 1 94 94 GLU N N 94 116.729 116.729 120.597 -3.868 25411 14658 1 27 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.101 0.032 25411 14659 1 27 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.007 0.312 25411 14660 1 27 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.273 -1.898 25411 14661 1 27 . 1 1 94 94 GLU H H 94 8.393 8.393 7.694 0.699 25411 14662 1 27 . 1 1 95 95 VAL N N 95 121.696 121.696 117.155 4.541 25411 14663 1 27 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.881 0.601 25411 14664 1 27 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.706 3.015 25411 14665 1 27 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.490 1.404 25411 14666 1 27 . 1 1 95 95 VAL H H 95 7.923 7.923 7.713 0.210 25411 14667 1 27 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.810 -0.452 25411 14668 1 27 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.159 0.448 25411 14669 1 27 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.771 -0.897 25411 14670 1 27 . 1 1 98 98 GLN N N 98 117.731 117.731 119.599 -1.868 25411 14671 1 27 . 1 1 98 98 GLN HA H 98 3.925 3.925 3.948 -0.023 25411 14672 1 27 . 1 1 98 98 GLN CA C 98 58.608 58.608 59.264 -0.656 25411 14673 1 27 . 1 1 98 98 GLN CB C 98 28.521 28.521 28.208 0.313 25411 14674 1 27 . 1 1 98 98 GLN H H 98 8.359 8.359 8.262 0.097 25411 14675 1 27 . 1 1 99 99 VAL N N 99 121.326 121.326 117.685 3.641 25411 14676 1 27 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.752 -0.332 25411 14677 1 27 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.525 0.879 25411 14678 1 27 . 1 1 99 99 VAL CB C 99 31.619 31.619 30.897 0.722 25411 14679 1 27 . 1 1 99 99 VAL H H 99 7.901 7.901 8.276 -0.375 25411 14680 1 27 . 1 1 100 100 MET N N 100 120.447 120.447 116.453 3.994 25411 14681 1 27 . 1 1 100 100 MET HA H 100 3.812 3.812 4.313 -0.501 25411 14682 1 27 . 1 1 100 100 MET CA C 100 59.297 59.297 58.185 1.112 25411 14683 1 27 . 1 1 100 100 MET CB C 100 32.099 32.099 33.041 -0.942 25411 14684 1 27 . 1 1 100 100 MET H H 100 7.509 7.509 7.508 0.001 25411 14685 1 27 . 1 1 101 101 ALA N N 101 119.458 119.458 121.980 -2.522 25411 14686 1 27 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.165 0.045 25411 14687 1 27 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.679 0.073 25411 14688 1 27 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.378 -0.857 25411 14689 1 27 . 1 1 101 101 ALA H H 101 7.889 7.889 7.581 0.308 25411 14690 1 27 . 1 1 102 102 ALA N N 102 119.627 119.627 121.056 -1.429 25411 14691 1 27 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.144 -0.151 25411 14692 1 27 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.438 0.450 25411 14693 1 27 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.192 -0.848 25411 14694 1 27 . 1 1 102 102 ALA H H 102 7.563 7.563 8.368 -0.805 25411 14695 1 27 . 1 1 103 103 VAL N N 103 122.690 122.690 118.391 4.299 25411 14696 1 27 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.773 0.300 25411 14697 1 27 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.564 -3.879 25411 14698 1 27 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.745 1.477 25411 14699 1 27 . 1 1 103 103 VAL H H 103 8.828 8.828 7.784 1.044 25411 14700 1 27 . 1 1 104 104 ALA N N 104 128.041 128.041 119.370 8.671 25411 14701 1 27 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.148 0.121 25411 14702 1 27 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.841 -2.700 25411 14703 1 27 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.395 0.545 25411 14704 1 27 . 1 1 104 104 ALA H H 104 8.367 8.367 7.600 0.767 25411 14705 1 27 . 1 1 105 105 GLN N N 105 120.265 120.265 116.547 3.718 25411 14706 1 27 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.302 -0.371 25411 14707 1 27 . 1 1 105 105 GLN CB C 105 29.020 29.020 29.099 -0.078 25411 14708 1 27 . 1 1 105 105 GLN H H 105 8.356 8.356 8.100 0.256 25411 14709 1 27 . 1 1 106 106 THR HA H 106 4.320 4.320 4.392 -0.072 25411 14710 1 27 . 1 1 106 106 THR CA C 106 61.346 61.346 63.650 -2.304 25411 14711 1 27 . 1 1 106 106 THR CB C 106 69.293 69.293 68.985 0.308 25411 14712 1 27 . 1 1 107 107 GLU N N 107 122.706 122.706 120.411 2.295 25411 14713 1 27 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.363 -0.181 25411 14714 1 27 . 1 1 107 107 GLU CA C 107 56.576 56.576 57.405 -0.829 25411 14715 1 27 . 1 1 107 107 GLU CB C 107 29.936 29.936 30.958 -1.022 25411 14716 1 27 . 1 1 107 107 GLU H H 107 8.404 8.404 7.678 0.726 25411 14717 1 27 . 1 1 108 108 GLU N N 108 122.034 122.034 115.442 6.592 25411 14718 1 27 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.096 0.065 25411 14719 1 27 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.342 -0.693 25411 14720 1 27 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.246 0.430 25411 14721 1 27 . 1 1 108 108 GLU H H 108 7.341 7.341 7.948 -0.607 25411 14722 1 27 . 1 1 109 109 ILE N N 109 122.151 122.151 117.153 4.998 25411 14723 1 27 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.408 -0.361 25411 14724 1 27 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.697 -1.132 25411 14725 1 27 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.155 -0.051 25411 14726 1 27 . 1 1 109 109 ILE H H 109 8.058 8.058 8.800 -0.742 25411 14727 1 27 . 1 1 110 110 LEU N N 110 122.427 122.427 122.225 0.202 25411 14728 1 27 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.105 0.171 25411 14729 1 27 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.672 -1.521 25411 14730 1 27 . 1 1 110 110 LEU CB C 110 32.255 32.255 41.069 -8.815 25411 14731 1 27 . 1 1 110 110 LEU H H 110 8.194 8.194 8.222 -0.028 25411 14732 1 27 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.151 0.096 25411 14733 1 27 . 1 1 111 111 LYS CA C 111 56.137 56.137 58.071 -1.934 25411 14734 1 27 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.426 0.143 25411 14735 1 27 . 1 1 112 112 SER N N 112 116.453 116.453 113.435 3.018 25411 14736 1 27 . 1 1 112 112 SER HA H 112 4.175 4.175 4.125 0.050 25411 14737 1 27 . 1 1 112 112 SER CA C 112 58.311 58.311 60.823 -2.512 25411 14738 1 27 . 1 1 112 112 SER CB C 112 63.441 63.441 62.466 0.975 25411 14739 1 27 . 1 1 112 112 SER H H 112 8.204 8.204 8.186 0.018 25411 14740 1 27 . 1 1 113 113 ASN N N 113 119.747 119.747 118.538 1.209 25411 14741 1 27 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.835 -0.191 25411 14742 1 27 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.357 1.288 25411 14743 1 27 . 1 1 113 113 ASN CB C 113 38.646 38.646 40.987 -2.341 25411 14744 1 27 . 1 1 113 113 ASN H H 113 7.944 7.944 8.029 -0.085 25411 14745 1 27 . 1 1 114 114 SER N N 114 115.433 115.433 116.911 -1.478 25411 14746 1 27 . 1 1 114 114 SER HA H 114 4.336 4.336 4.300 0.036 25411 14747 1 27 . 1 1 114 114 SER CA C 114 58.711 58.711 60.090 -1.379 25411 14748 1 27 . 1 1 114 114 SER CB C 114 63.308 63.308 61.852 1.456 25411 14749 1 27 . 1 1 114 114 SER H H 114 7.962 7.962 8.719 -0.757 25411 14750 1 27 . 1 1 115 115 GLN N N 115 121.682 121.682 123.244 -1.562 25411 14751 1 27 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.646 -0.372 25411 14752 1 27 . 1 1 115 115 GLN CA C 115 56.193 56.193 55.510 0.683 25411 14753 1 27 . 1 1 115 115 GLN CB C 115 28.807 28.807 31.132 -2.325 25411 14754 1 27 . 1 1 115 115 GLN H H 115 8.207 8.207 8.564 -0.357 25411 14755 1 27 . 1 1 116 116 THR N N 116 114.715 114.715 108.535 6.180 25411 14756 1 27 . 1 1 116 116 THR HA H 116 4.225 4.225 4.957 -0.732 25411 14757 1 27 . 1 1 116 116 THR CA C 116 62.109 62.109 61.646 0.463 25411 14758 1 27 . 1 1 116 116 THR CB C 116 69.336 69.336 71.403 -2.067 25411 14759 1 27 . 1 1 116 116 THR H H 116 8.062 8.062 7.477 0.585 25411 14760 1 27 . 1 1 117 117 ASP N N 117 122.602 122.602 123.177 -0.575 25411 14761 1 27 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.418 0.150 25411 14762 1 27 . 1 1 117 117 ASP CA C 117 54.204 54.204 57.299 -3.095 25411 14763 1 27 . 1 1 117 117 ASP CB C 117 40.665 40.665 41.052 -0.387 25411 14764 1 27 . 1 1 117 117 ASP H H 117 8.065 8.065 9.501 -1.436 25411 14765 1 27 . 1 1 118 118 LEU N N 118 122.140 122.140 117.181 4.959 25411 14766 1 27 . 1 1 118 118 LEU HA H 118 4.155 4.155 3.285 0.870 25411 14767 1 27 . 1 1 118 118 LEU CA C 118 55.423 55.423 54.294 1.129 25411 14768 1 27 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.530 0.343 25411 14769 1 27 . 1 1 118 118 LEU H H 118 8.085 8.085 7.802 0.283 25411 14770 1 27 . 1 1 119 119 GLU N N 119 119.672 119.672 114.914 4.758 25411 14771 1 27 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.778 0.290 25411 14772 1 27 . 1 1 119 119 GLU CA C 119 56.565 56.565 56.704 -0.139 25411 14773 1 27 . 1 1 119 119 GLU CB C 119 29.572 29.572 26.930 2.642 25411 14774 1 27 . 1 1 119 119 GLU H H 119 8.143 8.143 7.825 0.318 25411 14775 1 27 . 1 1 120 120 HIS N N 120 118.301 118.301 117.951 0.350 25411 14776 1 27 . 1 1 120 120 HIS CA C 120 55.883 55.883 57.963 -2.080 25411 14777 1 27 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.159 0.111 25411 14778 1 27 . 1 1 120 120 HIS H H 120 8.107 8.107 8.337 -0.230 25411 14779 1 27 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.819 -0.811 25411 14780 1 27 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.855 -0.689 25411 14781 1 27 . 1 1 121 121 HIS CB C 121 28.759 28.759 30.134 -1.375 25411 14782 1 27 . 1 1 122 122 HIS N N 122 122.407 122.407 117.564 4.843 25411 14783 1 27 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.848 -0.630 25411 14784 1 27 . 1 1 122 122 HIS CA C 122 56.081 56.081 53.757 2.325 25411 14785 1 27 . 1 1 122 122 HIS CB C 122 29.371 29.371 32.427 -3.056 25411 14786 1 27 . 1 1 122 122 HIS H H 122 8.489 8.489 8.184 0.305 25411 14787 1 27 . 1 1 123 123 HIS N N 123 122.868 122.868 120.731 2.137 25411 14788 1 27 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.320 0.067 25411 14789 1 27 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.719 -1.409 25411 14790 1 27 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.524 -0.022 25411 14791 1 27 . 1 1 123 123 HIS H H 123 8.596 8.596 8.646 -0.050 25411 14792 1 27 . 1 1 124 124 HIS N N 124 123.734 123.734 122.950 0.784 25411 14793 1 27 . 1 1 124 124 HIS HA H 124 4.557 4.557 5.087 -0.530 25411 14794 1 27 . 1 1 124 124 HIS CA C 124 55.385 55.385 53.802 1.583 25411 14795 1 27 . 1 1 124 124 HIS CB C 124 29.358 29.358 30.291 -0.933 25411 14796 1 27 . 1 1 124 124 HIS H H 124 8.255 8.255 7.932 0.323 25411 14797 1 28 . 1 1 3 3 GLN N N 3 122.360 122.360 121.034 1.326 25411 14798 1 28 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.354 -0.466 25411 14799 1 28 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.608 2.134 25411 14800 1 28 . 1 1 3 3 GLN CB C 3 28.383 28.383 29.176 -0.793 25411 14801 1 28 . 1 1 3 3 GLN H H 3 9.398 9.398 8.277 1.121 25411 14802 1 28 . 1 1 4 4 GLU N N 4 119.689 119.689 121.154 -1.465 25411 14803 1 28 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.238 0.436 25411 14804 1 28 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.884 -0.077 25411 14805 1 28 . 1 1 4 4 GLU CB C 4 28.700 28.700 29.166 -0.466 25411 14806 1 28 . 1 1 4 4 GLU H H 4 7.464 7.464 8.779 -1.315 25411 14807 1 28 . 1 1 5 5 LEU N N 5 114.872 114.872 121.573 -6.701 25411 14808 1 28 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.104 -0.403 25411 14809 1 28 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.106 -0.368 25411 14810 1 28 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.788 -0.973 25411 14811 1 28 . 1 1 5 5 LEU H H 5 8.206 8.206 8.266 -0.060 25411 14812 1 28 . 1 1 6 6 SER N N 6 109.762 109.762 113.903 -4.141 25411 14813 1 28 . 1 1 6 6 SER HA H 6 4.092 4.092 4.122 -0.030 25411 14814 1 28 . 1 1 6 6 SER CA C 6 60.415 60.415 62.384 -1.969 25411 14815 1 28 . 1 1 6 6 SER CB C 6 63.391 63.391 62.713 0.678 25411 14816 1 28 . 1 1 6 6 SER H H 6 8.253 8.253 8.292 -0.039 25411 14817 1 28 . 1 1 7 7 GLN N N 7 117.498 117.498 121.945 -4.447 25411 14818 1 28 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.221 -0.266 25411 14819 1 28 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.641 -0.215 25411 14820 1 28 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.493 0.246 25411 14821 1 28 . 1 1 7 7 GLN H H 7 8.673 8.673 7.832 0.841 25411 14822 1 28 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.291 -0.494 25411 14823 1 28 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.606 -0.551 25411 14824 1 28 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.081 -0.973 25411 14825 1 28 . 1 1 9 9 GLU N N 9 120.354 120.354 119.318 1.036 25411 14826 1 28 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.272 -0.313 25411 14827 1 28 . 1 1 9 9 GLU CA C 9 60.258 60.258 58.949 1.309 25411 14828 1 28 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.578 -0.351 25411 14829 1 28 . 1 1 9 9 GLU H H 9 7.690 7.690 8.344 -0.654 25411 14830 1 28 . 1 1 10 10 ARG N N 10 118.753 118.753 120.235 -1.482 25411 14831 1 28 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.042 0.057 25411 14832 1 28 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.684 -1.463 25411 14833 1 28 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.278 -1.183 25411 14834 1 28 . 1 1 10 10 ARG H H 10 8.928 8.928 8.216 0.712 25411 14835 1 28 . 1 1 11 11 TYR N N 11 121.288 121.288 119.110 2.178 25411 14836 1 28 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.228 -0.039 25411 14837 1 28 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.239 -1.004 25411 14838 1 28 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.322 -0.460 25411 14839 1 28 . 1 1 11 11 TYR H H 11 7.562 7.562 8.862 -1.300 25411 14840 1 28 . 1 1 12 12 VAL N N 12 119.304 119.304 119.790 -0.486 25411 14841 1 28 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.729 -0.646 25411 14842 1 28 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.255 0.580 25411 14843 1 28 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.364 -0.265 25411 14844 1 28 . 1 1 12 12 VAL H H 12 8.075 8.075 7.489 0.586 25411 14845 1 28 . 1 1 13 13 GLU N N 13 119.685 119.685 119.933 -0.248 25411 14846 1 28 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.046 0.109 25411 14847 1 28 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.280 0.145 25411 14848 1 28 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.253 -0.065 25411 14849 1 28 . 1 1 13 13 GLU H H 13 8.278 8.278 7.873 0.405 25411 14850 1 28 . 1 1 14 14 GLN N N 14 119.682 119.682 119.950 -0.268 25411 14851 1 28 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.004 -0.348 25411 14852 1 28 . 1 1 14 14 GLN CA C 14 59.969 59.969 59.069 0.900 25411 14853 1 28 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.593 1.080 25411 14854 1 28 . 1 1 14 14 GLN H H 14 7.653 7.653 8.242 -0.589 25411 14855 1 28 . 1 1 15 15 LEU N N 15 121.000 121.000 117.949 3.051 25411 14856 1 28 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.161 -0.240 25411 14857 1 28 . 1 1 15 15 LEU CA C 15 58.455 58.455 56.760 1.695 25411 14858 1 28 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.098 -0.338 25411 14859 1 28 . 1 1 15 15 LEU H H 15 8.402 8.402 8.558 -0.156 25411 14860 1 28 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.896 -0.200 25411 14861 1 28 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.466 -0.208 25411 14862 1 28 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.323 -0.188 25411 14863 1 28 . 1 1 17 17 GLN N N 17 117.558 117.558 118.347 -0.789 25411 14864 1 28 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.019 -0.132 25411 14865 1 28 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.966 -0.524 25411 14866 1 28 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.639 -0.594 25411 14867 1 28 . 1 1 17 17 GLN H H 17 7.849 7.849 8.097 -0.248 25411 14868 1 28 . 1 1 18 18 ALA N N 18 120.288 120.288 122.838 -2.550 25411 14869 1 28 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.128 -0.340 25411 14870 1 28 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.857 0.036 25411 14871 1 28 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.566 -1.169 25411 14872 1 28 . 1 1 18 18 ALA H H 18 8.504 8.504 8.070 0.434 25411 14873 1 28 . 1 1 19 19 LEU N N 19 116.974 116.974 118.137 -1.163 25411 14874 1 28 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.045 -0.286 25411 14875 1 28 . 1 1 19 19 LEU CA C 19 57.552 57.552 57.060 0.491 25411 14876 1 28 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.904 -1.210 25411 14877 1 28 . 1 1 19 19 LEU H H 19 8.143 8.143 8.122 0.021 25411 14878 1 28 . 1 1 20 20 LYS N N 20 117.776 117.776 120.921 -3.145 25411 14879 1 28 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.064 -0.109 25411 14880 1 28 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.828 -0.284 25411 14881 1 28 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.569 -2.083 25411 14882 1 28 . 1 1 20 20 LYS H H 20 8.340 8.340 8.162 0.178 25411 14883 1 28 . 1 1 21 21 THR N N 21 116.373 116.373 110.813 5.560 25411 14884 1 28 . 1 1 21 21 THR HA H 21 4.107 4.107 4.212 -0.105 25411 14885 1 28 . 1 1 21 21 THR CA C 21 64.611 64.611 64.232 0.379 25411 14886 1 28 . 1 1 21 21 THR CB C 21 68.811 68.811 68.572 0.239 25411 14887 1 28 . 1 1 21 21 THR H H 21 7.302 7.302 7.970 -0.668 25411 14888 1 28 . 1 1 22 22 ARG N N 22 118.647 118.647 120.072 -1.425 25411 14889 1 28 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.463 -0.101 25411 14890 1 28 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.655 -1.590 25411 14891 1 28 . 1 1 22 22 ARG CB C 22 29.528 29.528 30.865 -1.337 25411 14892 1 28 . 1 1 22 22 ARG H H 22 7.290 7.290 7.686 -0.396 25411 14893 1 28 . 1 1 23 23 GLY N N 23 108.637 108.637 108.252 0.385 25411 14894 1 28 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.825 0.287 25411 14895 1 28 . 1 1 23 23 GLY H H 23 7.881 7.881 7.753 0.128 25411 14896 1 28 . 1 1 24 24 VAL N N 24 117.390 117.390 117.848 -0.458 25411 14897 1 28 . 1 1 24 24 VAL HA H 24 4.014 4.014 4.231 -0.217 25411 14898 1 28 . 1 1 24 24 VAL CA C 24 61.668 61.668 61.319 0.349 25411 14899 1 28 . 1 1 24 24 VAL CB C 24 32.372 32.372 31.427 0.945 25411 14900 1 28 . 1 1 24 24 VAL H H 24 7.333 7.333 7.475 -0.142 25411 14901 1 28 . 1 1 25 25 LYS N N 25 127.322 127.322 116.563 10.759 25411 14902 1 28 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.954 0.378 25411 14903 1 28 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.328 -1.566 25411 14904 1 28 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.559 0.202 25411 14905 1 28 . 1 1 25 25 LYS H H 25 8.722 8.722 7.881 0.841 25411 14906 1 28 . 1 1 26 26 VAL N N 26 120.568 120.568 119.975 0.593 25411 14907 1 28 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.242 -0.164 25411 14908 1 28 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.396 -0.731 25411 14909 1 28 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.476 0.171 25411 14910 1 28 . 1 1 26 26 VAL H H 26 7.119 7.119 8.247 -1.128 25411 14911 1 28 . 1 1 27 27 LYS N N 27 125.675 125.675 125.365 0.310 25411 14912 1 28 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.347 -0.021 25411 14913 1 28 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.331 0.080 25411 14914 1 28 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.566 -2.607 25411 14915 1 28 . 1 1 27 27 LYS H H 27 8.570 8.570 8.148 0.422 25411 14916 1 28 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.442 -0.425 25411 14917 1 28 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.862 -2.450 25411 14918 1 28 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.716 2.124 25411 14919 1 28 . 1 1 29 29 ALA N N 29 120.743 120.743 128.737 -7.994 25411 14920 1 28 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.138 -0.470 25411 14921 1 28 . 1 1 29 29 ALA CA C 29 54.678 54.678 54.953 -0.275 25411 14922 1 28 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.136 -1.136 25411 14923 1 28 . 1 1 29 29 ALA H H 29 8.323 8.323 8.672 -0.349 25411 14924 1 28 . 1 1 30 30 ASP N N 30 117.202 117.202 118.630 -1.428 25411 14925 1 28 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.375 -0.094 25411 14926 1 28 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.360 0.193 25411 14927 1 28 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.726 0.081 25411 14928 1 28 . 1 1 30 30 ASP H H 30 6.872 6.872 8.725 -1.853 25411 14929 1 28 . 1 1 31 31 LEU N N 31 122.273 122.273 118.914 3.359 25411 14930 1 28 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.292 -0.746 25411 14931 1 28 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.639 0.086 25411 14932 1 28 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.195 -1.537 25411 14933 1 28 . 1 1 31 31 LEU H H 31 7.433 7.433 7.689 -0.256 25411 14934 1 28 . 1 1 32 32 LEU N N 32 123.376 123.376 119.264 4.112 25411 14935 1 28 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.163 -0.548 25411 14936 1 28 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.171 -0.075 25411 14937 1 28 . 1 1 32 32 LEU CB C 32 40.542 40.542 42.072 -1.530 25411 14938 1 28 . 1 1 32 32 LEU H H 32 8.727 8.727 7.860 0.867 25411 14939 1 28 . 1 1 33 33 LYS N N 33 118.078 118.078 120.757 -2.679 25411 14940 1 28 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.553 -0.340 25411 14941 1 28 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.382 -0.284 25411 14942 1 28 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.112 -0.222 25411 14943 1 28 . 1 1 33 33 LYS H H 33 7.149 7.149 7.477 -0.328 25411 14944 1 28 . 1 1 34 34 PHE N N 34 117.398 117.398 120.384 -2.986 25411 14945 1 28 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.715 -5.020 25411 14946 1 28 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.050 2.170 25411 14947 1 28 . 1 1 34 34 PHE H H 34 7.633 7.633 8.500 -0.867 25411 14948 1 28 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.105 -0.312 25411 14949 1 28 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.025 -0.433 25411 14950 1 28 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.426 -2.412 25411 14951 1 28 . 1 1 36 36 ASP N N 36 120.136 120.136 119.215 0.921 25411 14952 1 28 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.342 -0.246 25411 14953 1 28 . 1 1 36 36 ASP CA C 36 56.941 56.941 56.897 0.045 25411 14954 1 28 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.194 -1.090 25411 14955 1 28 . 1 1 36 36 ASP H H 36 8.330 8.330 8.852 -0.522 25411 14956 1 28 . 1 1 37 37 PHE N N 37 121.883 121.883 120.892 0.991 25411 14957 1 28 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.439 -0.181 25411 14958 1 28 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.641 -1.943 25411 14959 1 28 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.700 0.485 25411 14960 1 28 . 1 1 37 37 PHE H H 37 7.794 7.794 8.353 -0.559 25411 14961 1 28 . 1 1 38 38 VAL N N 38 118.525 118.525 117.980 0.545 25411 14962 1 28 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.472 -0.433 25411 14963 1 28 . 1 1 38 38 VAL CA C 38 66.882 66.882 65.919 0.963 25411 14964 1 28 . 1 1 38 38 VAL CB C 38 30.688 30.688 30.961 -0.273 25411 14965 1 28 . 1 1 38 38 VAL H H 38 8.262 8.262 7.768 0.494 25411 14966 1 28 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.837 -0.381 25411 14967 1 28 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.376 -0.322 25411 14968 1 28 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.894 -0.198 25411 14969 1 28 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.212 0.233 25411 14970 1 28 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.153 0.832 25411 14971 1 28 . 1 1 40 40 ASP CB C 40 40.692 40.692 40.816 -0.124 25411 14972 1 28 . 1 1 41 41 ILE N N 41 120.641 120.641 119.993 0.648 25411 14973 1 28 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.832 0.193 25411 14974 1 28 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.468 -2.816 25411 14975 1 28 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.505 -0.441 25411 14976 1 28 . 1 1 41 41 ILE H H 41 8.788 8.788 7.902 0.886 25411 14977 1 28 . 1 1 42 42 CYS N N 42 117.896 117.896 115.242 2.654 25411 14978 1 28 . 1 1 42 42 CYS CA C 42 56.172 56.172 56.307 -0.135 25411 14979 1 28 . 1 1 42 42 CYS CB C 42 28.324 28.324 28.725 -0.401 25411 14980 1 28 . 1 1 42 42 CYS H H 42 7.180 7.180 7.369 -0.189 25411 14981 1 28 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.065 0.250 25411 14982 1 28 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.543 0.460 25411 14983 1 28 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.042 -0.327 25411 14984 1 28 . 1 1 44 44 TRP N N 44 113.823 113.823 115.279 -1.456 25411 14985 1 28 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.328 -0.023 25411 14986 1 28 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.062 -1.664 25411 14987 1 28 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.091 -1.280 25411 14988 1 28 . 1 1 44 44 TRP H H 44 6.591 6.591 7.395 -0.804 25411 14989 1 28 . 1 1 45 45 PHE N N 45 123.100 123.100 116.152 6.948 25411 14990 1 28 . 1 1 45 45 PHE HA H 45 4.001 4.001 4.994 -0.993 25411 14991 1 28 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.806 8.003 25411 14992 1 28 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.253 -3.318 25411 14993 1 28 . 1 1 45 45 PHE H H 45 7.239 7.239 7.772 -0.533 25411 14994 1 28 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.318 -0.306 25411 14995 1 28 . 1 1 46 46 PRO CA C 46 64.531 64.531 63.992 0.539 25411 14996 1 28 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.788 -1.301 25411 14997 1 28 . 1 1 47 47 GLN N N 47 114.502 114.502 117.009 -2.507 25411 14998 1 28 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.111 -0.174 25411 14999 1 28 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.041 0.363 25411 15000 1 28 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.511 0.809 25411 15001 1 28 . 1 1 47 47 GLN H H 47 6.518 6.518 8.596 -2.078 25411 15002 1 28 . 1 1 48 48 GLU N N 48 117.358 117.358 119.292 -1.934 25411 15003 1 28 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.241 -0.203 25411 15004 1 28 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.927 1.245 25411 15005 1 28 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.460 -1.506 25411 15006 1 28 . 1 1 48 48 GLU H H 48 7.318 7.318 7.752 -0.434 25411 15007 1 28 . 1 1 49 49 GLY N N 49 105.534 105.534 108.148 -2.614 25411 15008 1 28 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.254 2.049 25411 15009 1 28 . 1 1 49 49 GLY H H 49 7.296 7.296 8.274 -0.978 25411 15010 1 28 . 1 1 50 50 THR N N 50 114.069 114.069 113.068 1.001 25411 15011 1 28 . 1 1 50 50 THR HA H 50 4.234 4.234 4.480 -0.246 25411 15012 1 28 . 1 1 50 50 THR CA C 50 61.683 61.683 60.291 1.392 25411 15013 1 28 . 1 1 50 50 THR CB C 50 70.718 70.718 70.426 0.292 25411 15014 1 28 . 1 1 50 50 THR H H 50 7.597 7.597 7.534 0.063 25411 15015 1 28 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.117 0.008 25411 15016 1 28 . 1 1 51 51 ILE CA C 51 59.870 59.870 62.459 -2.589 25411 15017 1 28 . 1 1 51 51 ILE CB C 51 35.288 35.288 38.721 -3.433 25411 15018 1 28 . 1 1 52 52 ASP N N 52 121.791 121.791 126.198 -4.407 25411 15019 1 28 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.769 -0.146 25411 15020 1 28 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.604 -0.872 25411 15021 1 28 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.285 -1.824 25411 15022 1 28 . 1 1 52 52 ASP H H 52 7.168 7.168 8.095 -0.927 25411 15023 1 28 . 1 1 53 53 ILE N N 53 119.537 119.537 119.046 0.491 25411 15024 1 28 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.412 -0.277 25411 15025 1 28 . 1 1 53 53 ILE CA C 53 61.796 61.796 61.964 -0.168 25411 15026 1 28 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.380 -1.565 25411 15027 1 28 . 1 1 53 53 ILE H H 53 8.336 8.336 8.311 0.025 25411 15028 1 28 . 1 1 54 54 LYS N N 54 123.592 123.592 122.223 1.369 25411 15029 1 28 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.129 -0.024 25411 15030 1 28 . 1 1 54 54 LYS CA C 54 59.972 59.972 59.203 0.769 25411 15031 1 28 . 1 1 54 54 LYS CB C 54 31.748 31.748 31.973 -0.225 25411 15032 1 28 . 1 1 54 54 LYS H H 54 8.104 8.104 7.936 0.168 25411 15033 1 28 . 1 1 55 55 ARG N N 55 120.511 120.511 119.231 1.280 25411 15034 1 28 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.191 0.110 25411 15035 1 28 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.657 0.246 25411 15036 1 28 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.221 -0.165 25411 15037 1 28 . 1 1 55 55 ARG H H 55 9.196 9.196 9.135 0.061 25411 15038 1 28 . 1 1 56 56 TRP N N 56 120.681 120.681 121.741 -1.060 25411 15039 1 28 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.770 -0.067 25411 15040 1 28 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.726 -1.320 25411 15041 1 28 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.375 0.639 25411 15042 1 28 . 1 1 56 56 TRP H H 56 8.899 8.899 8.040 0.859 25411 15043 1 28 . 1 1 57 57 ARG N N 57 122.115 122.115 119.528 2.587 25411 15044 1 28 . 1 1 57 57 ARG HA H 57 4.407 4.407 4.234 0.173 25411 15045 1 28 . 1 1 57 57 ARG CA C 57 60.027 60.027 58.629 1.398 25411 15046 1 28 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.720 0.066 25411 15047 1 28 . 1 1 57 57 ARG H H 57 9.210 9.210 8.453 0.757 25411 15048 1 28 . 1 1 58 58 ARG N N 58 120.918 120.918 120.112 0.806 25411 15049 1 28 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.553 0.291 25411 15050 1 28 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.091 -0.362 25411 15051 1 28 . 1 1 58 58 ARG H H 58 7.640 7.640 7.795 -0.155 25411 15052 1 28 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.788 -0.024 25411 15053 1 28 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.318 0.682 25411 15054 1 28 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.578 -0.746 25411 15055 1 28 . 1 1 59 59 VAL H H 59 7.916 7.916 7.861 0.055 25411 15056 1 28 . 1 1 60 60 GLY N N 60 106.856 106.856 107.353 -0.497 25411 15057 1 28 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.064 -0.983 25411 15058 1 28 . 1 1 60 60 GLY H H 60 7.623 7.623 8.311 -0.688 25411 15059 1 28 . 1 1 61 61 ASP N N 61 123.308 123.308 122.895 0.413 25411 15060 1 28 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.735 -0.510 25411 15061 1 28 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.115 -0.315 25411 15062 1 28 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.922 -1.438 25411 15063 1 28 . 1 1 61 61 ASP H H 61 8.203 8.203 8.137 0.066 25411 15064 1 28 . 1 1 62 62 CYS N N 62 120.841 120.841 118.593 2.248 25411 15065 1 28 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.122 0.116 25411 15066 1 28 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.302 -1.352 25411 15067 1 28 . 1 1 62 62 CYS CB C 62 26.503 26.503 27.053 -0.550 25411 15068 1 28 . 1 1 62 62 CYS H H 62 7.795 7.795 7.747 0.048 25411 15069 1 28 . 1 1 63 63 PHE N N 63 119.763 119.763 120.423 -0.660 25411 15070 1 28 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.332 -0.054 25411 15071 1 28 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.707 -3.050 25411 15072 1 28 . 1 1 63 63 PHE CB C 63 36.990 36.990 39.414 -2.425 25411 15073 1 28 . 1 1 63 63 PHE H H 63 8.647 8.647 8.186 0.461 25411 15074 1 28 . 1 1 64 64 GLN N N 64 118.578 118.578 119.477 -0.899 25411 15075 1 28 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.049 0.259 25411 15076 1 28 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.812 0.520 25411 15077 1 28 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.169 0.410 25411 15078 1 28 . 1 1 64 64 GLN H H 64 8.261 8.261 8.413 -0.152 25411 15079 1 28 . 1 1 65 65 ASP N N 65 119.534 119.534 121.482 -1.948 25411 15080 1 28 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.316 0.168 25411 15081 1 28 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.010 0.319 25411 15082 1 28 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.948 -1.277 25411 15083 1 28 . 1 1 65 65 ASP H H 65 8.338 8.338 8.459 -0.121 25411 15084 1 28 . 1 1 66 66 TYR N N 66 123.600 123.600 122.119 1.481 25411 15085 1 28 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.999 0.503 25411 15086 1 28 . 1 1 66 66 TYR CA C 66 61.231 61.231 61.924 -0.693 25411 15087 1 28 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.215 0.218 25411 15088 1 28 . 1 1 66 66 TYR H H 66 7.804 7.804 8.364 -0.559 25411 15089 1 28 . 1 1 67 67 TYR N N 67 122.825 122.825 118.612 4.213 25411 15090 1 28 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.602 0.395 25411 15091 1 28 . 1 1 67 67 TYR CA C 67 61.903 61.903 60.963 0.940 25411 15092 1 28 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.189 0.757 25411 15093 1 28 . 1 1 67 67 TYR H H 67 9.100 9.100 8.305 0.795 25411 15094 1 28 . 1 1 68 68 ASN N N 68 118.826 118.826 116.802 2.024 25411 15095 1 28 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.145 0.138 25411 15096 1 28 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.521 -0.089 25411 15097 1 28 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.328 -0.452 25411 15098 1 28 . 1 1 68 68 ASN H H 68 8.853 8.853 8.274 0.579 25411 15099 1 28 . 1 1 69 69 THR N N 69 114.242 114.242 113.121 1.121 25411 15100 1 28 . 1 1 69 69 THR HA H 69 3.837 3.837 3.759 0.078 25411 15101 1 28 . 1 1 69 69 THR CA C 69 65.328 65.328 65.453 -0.125 25411 15102 1 28 . 1 1 69 69 THR CB C 69 69.249 69.249 68.538 0.711 25411 15103 1 28 . 1 1 69 69 THR H H 69 7.847 7.847 7.780 0.067 25411 15104 1 28 . 1 1 70 70 PHE N N 70 117.970 117.970 117.799 0.171 25411 15105 1 28 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.618 -0.054 25411 15106 1 28 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.943 0.299 25411 15107 1 28 . 1 1 70 70 PHE CB C 70 41.074 41.074 39.646 1.428 25411 15108 1 28 . 1 1 70 70 PHE H H 70 8.489 8.489 7.214 1.275 25411 15109 1 28 . 1 1 71 71 GLY N N 71 109.516 109.516 105.713 3.803 25411 15110 1 28 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.552 0.480 25411 15111 1 28 . 1 1 71 71 GLY H H 71 7.968 7.968 7.993 -0.025 25411 15112 1 28 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.438 0.273 25411 15113 1 28 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.528 0.769 25411 15114 1 28 . 1 1 72 72 PRO CB C 72 31.744 31.744 32.231 -0.487 25411 15115 1 28 . 1 1 73 73 GLU N N 73 117.720 117.720 124.108 -6.388 25411 15116 1 28 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.176 -0.277 25411 15117 1 28 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.805 -0.069 25411 15118 1 28 . 1 1 73 73 GLU CB C 73 28.863 28.863 30.158 -1.295 25411 15119 1 28 . 1 1 73 73 GLU H H 73 8.586 8.586 8.875 -0.289 25411 15120 1 28 . 1 1 74 74 LYS N N 74 116.974 116.974 118.088 -1.114 25411 15121 1 28 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.486 -0.097 25411 15122 1 28 . 1 1 74 74 LYS CA C 74 55.185 55.185 56.548 -1.363 25411 15123 1 28 . 1 1 74 74 LYS CB C 74 34.087 34.087 33.626 0.461 25411 15124 1 28 . 1 1 74 74 LYS H H 74 7.505 7.505 8.197 -0.692 25411 15125 1 28 . 1 1 75 75 VAL N N 75 117.309 117.309 120.956 -3.647 25411 15126 1 28 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.454 -0.141 25411 15127 1 28 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.096 1.949 25411 15128 1 28 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.882 -0.898 25411 15129 1 28 . 1 1 75 75 VAL H H 75 7.402 7.402 7.790 -0.388 25411 15130 1 28 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.651 -0.089 25411 15131 1 28 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.967 -1.280 25411 15132 1 28 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.719 -0.988 25411 15133 1 28 . 1 1 77 77 VAL N N 77 120.870 120.870 123.073 -2.203 25411 15134 1 28 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.205 -0.377 25411 15135 1 28 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.120 1.718 25411 15136 1 28 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.207 -0.820 25411 15137 1 28 . 1 1 77 77 VAL H H 77 8.473 8.473 8.757 -0.284 25411 15138 1 28 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.876 -0.024 25411 15139 1 28 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.141 -3.016 25411 15140 1 28 . 1 1 78 78 ILE CB C 78 37.135 37.135 37.037 0.098 25411 15141 1 28 . 1 1 78 78 ILE H H 78 8.388 8.388 8.184 0.204 25411 15142 1 28 . 1 1 79 79 ALA N N 79 123.960 123.960 123.628 0.332 25411 15143 1 28 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.045 -0.155 25411 15144 1 28 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.512 0.377 25411 15145 1 28 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.087 -0.464 25411 15146 1 28 . 1 1 79 79 ALA H H 79 7.953 7.953 7.581 0.372 25411 15147 1 28 . 1 1 80 80 PHE N N 80 114.330 114.330 114.150 0.180 25411 15148 1 28 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.426 0.005 25411 15149 1 28 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.414 1.898 25411 15150 1 28 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.148 -1.492 25411 15151 1 28 . 1 1 80 80 PHE H H 80 7.499 7.499 7.846 -0.347 25411 15152 1 28 . 1 1 81 81 SER N N 81 115.971 115.971 113.956 2.015 25411 15153 1 28 . 1 1 81 81 SER HA H 81 4.206 4.206 4.366 -0.160 25411 15154 1 28 . 1 1 81 81 SER CA C 81 58.432 58.432 58.966 -0.534 25411 15155 1 28 . 1 1 81 81 SER CB C 81 63.575 63.575 63.918 -0.343 25411 15156 1 28 . 1 1 81 81 SER H H 81 8.225 8.225 7.656 0.569 25411 15157 1 28 . 1 1 82 82 TYR N N 82 121.997 121.997 123.337 -1.340 25411 15158 1 28 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.272 0.175 25411 15159 1 28 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.385 -4.500 25411 15160 1 28 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.706 -0.868 25411 15161 1 28 . 1 1 82 82 TYR H H 82 8.378 8.378 7.415 0.963 25411 15162 1 28 . 1 1 83 83 TRP N N 83 120.268 120.268 118.806 1.462 25411 15163 1 28 . 1 1 83 83 TRP CA C 83 57.393 57.393 59.357 -1.964 25411 15164 1 28 . 1 1 83 83 TRP CB C 83 28.894 28.894 28.546 0.348 25411 15165 1 28 . 1 1 83 83 TRP H H 83 8.546 8.546 9.588 -1.042 25411 15166 1 28 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.019 0.201 25411 15167 1 28 . 1 1 84 84 ASN CA C 84 56.629 56.629 55.894 0.735 25411 15168 1 28 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.607 1.458 25411 15169 1 28 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.111 -0.065 25411 15170 1 28 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.220 0.922 25411 15171 1 28 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.877 -0.185 25411 15172 1 28 . 1 1 86 86 ILE N N 86 117.000 117.000 119.751 -2.751 25411 15173 1 28 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.485 -0.039 25411 15174 1 28 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.622 -2.339 25411 15175 1 28 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.947 -1.535 25411 15176 1 28 . 1 1 86 86 ILE H H 86 7.882 7.882 7.523 0.359 25411 15177 1 28 . 1 1 87 87 LYS HA H 87 3.226 3.226 4.067 -0.841 25411 15178 1 28 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.351 0.645 25411 15179 1 28 . 1 1 87 87 LYS CB C 87 31.050 31.050 32.375 -1.325 25411 15180 1 28 . 1 1 88 88 GLU N N 88 116.404 116.404 117.964 -1.560 25411 15181 1 28 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.431 -0.584 25411 15182 1 28 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.416 0.495 25411 15183 1 28 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.087 -0.118 25411 15184 1 28 . 1 1 88 88 GLU H H 88 7.689 7.689 7.972 -0.283 25411 15185 1 28 . 1 1 89 89 LEU N N 89 118.193 118.193 121.450 -3.257 25411 15186 1 28 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.139 -0.250 25411 15187 1 28 . 1 1 89 89 LEU CA C 89 57.963 57.963 57.097 0.866 25411 15188 1 28 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.059 -0.759 25411 15189 1 28 . 1 1 89 89 LEU H H 89 7.415 7.415 7.676 -0.261 25411 15190 1 28 . 1 1 90 90 ILE N N 90 115.471 115.471 120.039 -4.568 25411 15191 1 28 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.702 -0.284 25411 15192 1 28 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.106 0.802 25411 15193 1 28 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.706 -0.112 25411 15194 1 28 . 1 1 90 90 ILE H H 90 7.718 7.718 7.670 0.048 25411 15195 1 28 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.498 -0.778 25411 15196 1 28 . 1 1 91 91 ASP CA C 91 57.664 57.664 57.060 0.604 25411 15197 1 28 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.073 0.459 25411 15198 1 28 . 1 1 92 92 LYS N N 92 119.253 119.253 118.813 0.440 25411 15199 1 28 . 1 1 92 92 LYS CA C 92 58.897 58.897 56.699 2.199 25411 15200 1 28 . 1 1 92 92 LYS CB C 92 31.988 31.988 31.904 0.084 25411 15201 1 28 . 1 1 92 92 LYS H H 92 7.869 7.869 7.636 0.233 25411 15202 1 28 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.007 0.524 25411 15203 1 28 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.700 -3.442 25411 15204 1 28 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.089 0.080 25411 15205 1 28 . 1 1 94 94 GLU N N 94 116.729 116.729 120.658 -3.929 25411 15206 1 28 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.107 0.026 25411 15207 1 28 . 1 1 94 94 GLU CA C 94 59.319 59.319 58.972 0.347 25411 15208 1 28 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.259 -1.884 25411 15209 1 28 . 1 1 94 94 GLU H H 94 8.393 8.393 8.108 0.285 25411 15210 1 28 . 1 1 95 95 VAL N N 95 121.696 121.696 117.613 4.083 25411 15211 1 28 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.839 0.643 25411 15212 1 28 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.594 3.127 25411 15213 1 28 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.471 1.423 25411 15214 1 28 . 1 1 95 95 VAL H H 95 7.923 7.923 7.600 0.323 25411 15215 1 28 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.595 -0.237 25411 15216 1 28 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.462 0.145 25411 15217 1 28 . 1 1 97 97 PRO CB C 97 31.874 31.874 33.136 -1.262 25411 15218 1 28 . 1 1 98 98 GLN N N 98 117.731 117.731 119.953 -2.222 25411 15219 1 28 . 1 1 98 98 GLN HA H 98 3.925 3.925 3.999 -0.074 25411 15220 1 28 . 1 1 98 98 GLN CA C 98 58.608 58.608 59.023 -0.415 25411 15221 1 28 . 1 1 98 98 GLN CB C 98 28.521 28.521 28.222 0.299 25411 15222 1 28 . 1 1 98 98 GLN H H 98 8.359 8.359 8.474 -0.115 25411 15223 1 28 . 1 1 99 99 VAL N N 99 121.326 121.326 119.114 2.212 25411 15224 1 28 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.726 -0.306 25411 15225 1 28 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.609 0.795 25411 15226 1 28 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.240 0.379 25411 15227 1 28 . 1 1 99 99 VAL H H 99 7.901 7.901 8.138 -0.237 25411 15228 1 28 . 1 1 100 100 MET N N 100 120.447 120.447 117.459 2.988 25411 15229 1 28 . 1 1 100 100 MET HA H 100 3.812 3.812 4.402 -0.590 25411 15230 1 28 . 1 1 100 100 MET CA C 100 59.297 59.297 56.366 2.931 25411 15231 1 28 . 1 1 100 100 MET CB C 100 32.099 32.099 31.863 0.236 25411 15232 1 28 . 1 1 100 100 MET H H 100 7.509 7.509 7.905 -0.396 25411 15233 1 28 . 1 1 101 101 ALA N N 101 119.458 119.458 122.404 -2.946 25411 15234 1 28 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.227 -0.017 25411 15235 1 28 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.629 0.123 25411 15236 1 28 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.423 -0.902 25411 15237 1 28 . 1 1 101 101 ALA H H 101 7.889 7.889 7.708 0.181 25411 15238 1 28 . 1 1 102 102 ALA N N 102 119.627 119.627 120.300 -0.673 25411 15239 1 28 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.207 -0.214 25411 15240 1 28 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.640 0.248 25411 15241 1 28 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.738 -1.394 25411 15242 1 28 . 1 1 102 102 ALA H H 102 7.563 7.563 8.467 -0.904 25411 15243 1 28 . 1 1 103 103 VAL N N 103 122.690 122.690 113.472 9.218 25411 15244 1 28 . 1 1 103 103 VAL HA H 103 4.073 4.073 4.499 -0.426 25411 15245 1 28 . 1 1 103 103 VAL CA C 103 61.685 61.685 61.523 0.162 25411 15246 1 28 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.352 1.870 25411 15247 1 28 . 1 1 103 103 VAL H H 103 8.828 8.828 7.169 1.659 25411 15248 1 28 . 1 1 104 104 ALA N N 104 128.041 128.041 123.426 4.615 25411 15249 1 28 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.188 0.081 25411 15250 1 28 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.665 -2.524 25411 15251 1 28 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.482 0.458 25411 15252 1 28 . 1 1 104 104 ALA H H 104 8.367 8.367 7.401 0.966 25411 15253 1 28 . 1 1 105 105 GLN N N 105 120.265 120.265 116.034 4.231 25411 15254 1 28 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.335 -0.404 25411 15255 1 28 . 1 1 105 105 GLN CB C 105 29.020 29.020 29.510 -0.490 25411 15256 1 28 . 1 1 105 105 GLN H H 105 8.356 8.356 8.062 0.294 25411 15257 1 28 . 1 1 106 106 THR HA H 106 4.320 4.320 4.060 0.260 25411 15258 1 28 . 1 1 106 106 THR CA C 106 61.346 61.346 64.425 -3.079 25411 15259 1 28 . 1 1 106 106 THR CB C 106 69.293 69.293 69.316 -0.023 25411 15260 1 28 . 1 1 107 107 GLU N N 107 122.706 122.706 118.234 4.472 25411 15261 1 28 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.401 -0.219 25411 15262 1 28 . 1 1 107 107 GLU CA C 107 56.576 56.576 56.972 -0.396 25411 15263 1 28 . 1 1 107 107 GLU CB C 107 29.936 29.936 32.206 -2.271 25411 15264 1 28 . 1 1 107 107 GLU H H 107 8.404 8.404 7.735 0.669 25411 15265 1 28 . 1 1 108 108 GLU N N 108 122.034 122.034 117.590 4.444 25411 15266 1 28 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.057 0.104 25411 15267 1 28 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.140 -0.491 25411 15268 1 28 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.742 -0.066 25411 15269 1 28 . 1 1 108 108 GLU H H 108 7.341 7.341 8.383 -1.042 25411 15270 1 28 . 1 1 109 109 ILE N N 109 122.151 122.151 115.417 6.734 25411 15271 1 28 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.187 -0.140 25411 15272 1 28 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.564 -0.999 25411 15273 1 28 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.276 -0.172 25411 15274 1 28 . 1 1 109 109 ILE H H 109 8.058 8.058 8.436 -0.378 25411 15275 1 28 . 1 1 110 110 LEU N N 110 122.427 122.427 122.119 0.308 25411 15276 1 28 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.199 0.077 25411 15277 1 28 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.473 -1.322 25411 15278 1 28 . 1 1 110 110 LEU CB C 110 32.255 32.255 41.071 -8.816 25411 15279 1 28 . 1 1 110 110 LEU H H 110 8.194 8.194 7.698 0.496 25411 15280 1 28 . 1 1 111 111 LYS HA H 111 4.247 4.247 3.889 0.358 25411 15281 1 28 . 1 1 111 111 LYS CA C 111 56.137 56.137 58.294 -2.157 25411 15282 1 28 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.209 0.360 25411 15283 1 28 . 1 1 112 112 SER N N 112 116.453 116.453 112.949 3.504 25411 15284 1 28 . 1 1 112 112 SER HA H 112 4.175 4.175 4.038 0.137 25411 15285 1 28 . 1 1 112 112 SER CA C 112 58.311 58.311 61.393 -3.082 25411 15286 1 28 . 1 1 112 112 SER CB C 112 63.441 63.441 61.875 1.566 25411 15287 1 28 . 1 1 112 112 SER H H 112 8.204 8.204 7.920 0.284 25411 15288 1 28 . 1 1 113 113 ASN N N 113 119.747 119.747 122.137 -2.390 25411 15289 1 28 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.877 -0.233 25411 15290 1 28 . 1 1 113 113 ASN CA C 113 53.645 53.645 53.469 0.176 25411 15291 1 28 . 1 1 113 113 ASN CB C 113 38.646 38.646 39.466 -0.820 25411 15292 1 28 . 1 1 113 113 ASN H H 113 7.944 7.944 8.506 -0.562 25411 15293 1 28 . 1 1 114 114 SER N N 114 115.433 115.433 116.364 -0.931 25411 15294 1 28 . 1 1 114 114 SER HA H 114 4.336 4.336 4.690 -0.354 25411 15295 1 28 . 1 1 114 114 SER CA C 114 58.711 58.711 58.009 0.702 25411 15296 1 28 . 1 1 114 114 SER CB C 114 63.308 63.308 62.988 0.320 25411 15297 1 28 . 1 1 114 114 SER H H 114 7.962 7.962 8.124 -0.162 25411 15298 1 28 . 1 1 115 115 GLN N N 115 121.682 121.682 115.906 5.776 25411 15299 1 28 . 1 1 115 115 GLN HA H 115 4.274 4.274 3.873 0.401 25411 15300 1 28 . 1 1 115 115 GLN CA C 115 56.193 56.193 58.379 -2.186 25411 15301 1 28 . 1 1 115 115 GLN CB C 115 28.807 28.807 27.812 0.995 25411 15302 1 28 . 1 1 115 115 GLN H H 115 8.207 8.207 8.791 -0.584 25411 15303 1 28 . 1 1 116 116 THR N N 116 114.715 114.715 108.686 6.029 25411 15304 1 28 . 1 1 116 116 THR HA H 116 4.225 4.225 4.534 -0.309 25411 15305 1 28 . 1 1 116 116 THR CA C 116 62.109 62.109 60.603 1.506 25411 15306 1 28 . 1 1 116 116 THR CB C 116 69.336 69.336 71.567 -2.231 25411 15307 1 28 . 1 1 116 116 THR H H 116 8.062 8.062 7.514 0.548 25411 15308 1 28 . 1 1 117 117 ASP N N 117 122.602 122.602 121.415 1.187 25411 15309 1 28 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.204 0.364 25411 15310 1 28 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.116 -1.912 25411 15311 1 28 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.278 0.387 25411 15312 1 28 . 1 1 117 117 ASP H H 117 8.065 8.065 8.685 -0.620 25411 15313 1 28 . 1 1 118 118 LEU N N 118 122.140 122.140 119.349 2.791 25411 15314 1 28 . 1 1 118 118 LEU HA H 118 4.155 4.155 3.841 0.314 25411 15315 1 28 . 1 1 118 118 LEU CA C 118 55.423 55.423 55.486 -0.063 25411 15316 1 28 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.736 0.137 25411 15317 1 28 . 1 1 118 118 LEU H H 118 8.085 8.085 7.697 0.388 25411 15318 1 28 . 1 1 119 119 GLU N N 119 119.672 119.672 115.560 4.112 25411 15319 1 28 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.676 0.392 25411 15320 1 28 . 1 1 119 119 GLU CA C 119 56.565 56.565 58.437 -1.872 25411 15321 1 28 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.990 1.582 25411 15322 1 28 . 1 1 119 119 GLU H H 119 8.143 8.143 7.678 0.465 25411 15323 1 28 . 1 1 120 120 HIS N N 120 118.301 118.301 116.482 1.819 25411 15324 1 28 . 1 1 120 120 HIS CA C 120 55.883 55.883 54.041 1.842 25411 15325 1 28 . 1 1 120 120 HIS CB C 120 29.270 29.270 31.205 -1.935 25411 15326 1 28 . 1 1 120 120 HIS H H 120 8.107 8.107 7.750 0.357 25411 15327 1 28 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.578 -0.570 25411 15328 1 28 . 1 1 121 121 HIS CA C 121 55.166 55.166 56.402 -1.236 25411 15329 1 28 . 1 1 121 121 HIS CB C 121 28.759 28.759 28.233 0.526 25411 15330 1 28 . 1 1 122 122 HIS N N 122 122.407 122.407 119.093 3.314 25411 15331 1 28 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.669 -0.451 25411 15332 1 28 . 1 1 122 122 HIS CA C 122 56.081 56.081 53.520 2.561 25411 15333 1 28 . 1 1 122 122 HIS CB C 122 29.371 29.371 32.731 -3.361 25411 15334 1 28 . 1 1 122 122 HIS H H 122 8.489 8.489 8.498 -0.009 25411 15335 1 28 . 1 1 123 123 HIS N N 123 122.868 122.868 119.628 3.240 25411 15336 1 28 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.304 0.083 25411 15337 1 28 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.170 0.140 25411 15338 1 28 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.812 -0.310 25411 15339 1 28 . 1 1 123 123 HIS H H 123 8.596 8.596 8.535 0.061 25411 15340 1 28 . 1 1 124 124 HIS N N 124 123.734 123.734 125.685 -1.951 25411 15341 1 28 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.879 -0.322 25411 15342 1 28 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.435 0.950 25411 15343 1 28 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.109 1.249 25411 15344 1 28 . 1 1 124 124 HIS H H 124 8.255 8.255 8.207 0.048 25411 15345 1 29 . 1 1 3 3 GLN N N 3 122.360 122.360 120.260 2.100 25411 15346 1 29 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.432 -0.544 25411 15347 1 29 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.817 1.925 25411 15348 1 29 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.957 -0.574 25411 15349 1 29 . 1 1 3 3 GLN H H 3 9.398 9.398 8.424 0.974 25411 15350 1 29 . 1 1 4 4 GLU N N 4 119.689 119.689 119.935 -0.246 25411 15351 1 29 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.196 0.478 25411 15352 1 29 . 1 1 4 4 GLU CA C 4 57.807 57.807 58.002 -0.195 25411 15353 1 29 . 1 1 4 4 GLU CB C 4 28.700 28.700 29.164 -0.464 25411 15354 1 29 . 1 1 4 4 GLU H H 4 7.464 7.464 8.854 -1.390 25411 15355 1 29 . 1 1 5 5 LEU N N 5 114.872 114.872 121.664 -6.792 25411 15356 1 29 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.201 -0.500 25411 15357 1 29 . 1 1 5 5 LEU CA C 5 57.738 57.738 57.890 -0.152 25411 15358 1 29 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.999 -1.184 25411 15359 1 29 . 1 1 5 5 LEU H H 5 8.206 8.206 7.717 0.489 25411 15360 1 29 . 1 1 6 6 SER N N 6 109.762 109.762 113.649 -3.887 25411 15361 1 29 . 1 1 6 6 SER HA H 6 4.092 4.092 4.114 -0.022 25411 15362 1 29 . 1 1 6 6 SER CA C 6 60.415 60.415 61.853 -1.438 25411 15363 1 29 . 1 1 6 6 SER CB C 6 63.391 63.391 62.508 0.883 25411 15364 1 29 . 1 1 6 6 SER H H 6 8.253 8.253 7.903 0.350 25411 15365 1 29 . 1 1 7 7 GLN N N 7 117.498 117.498 122.376 -4.878 25411 15366 1 29 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.185 -0.230 25411 15367 1 29 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.055 0.370 25411 15368 1 29 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.302 0.437 25411 15369 1 29 . 1 1 7 7 GLN H H 7 8.673 8.673 7.986 0.687 25411 15370 1 29 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.401 -0.604 25411 15371 1 29 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.767 -0.712 25411 15372 1 29 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.178 -1.069 25411 15373 1 29 . 1 1 9 9 GLU N N 9 120.354 120.354 119.907 0.447 25411 15374 1 29 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.428 -0.469 25411 15375 1 29 . 1 1 9 9 GLU CA C 9 60.258 60.258 58.701 1.557 25411 15376 1 29 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.407 -0.180 25411 15377 1 29 . 1 1 9 9 GLU H H 9 7.690 7.690 8.516 -0.826 25411 15378 1 29 . 1 1 10 10 ARG N N 10 118.753 118.753 120.421 -1.668 25411 15379 1 29 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.040 0.059 25411 15380 1 29 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.573 -1.352 25411 15381 1 29 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.116 -1.021 25411 15382 1 29 . 1 1 10 10 ARG H H 10 8.928 8.928 8.102 0.826 25411 15383 1 29 . 1 1 11 11 TYR N N 11 121.288 121.288 119.597 1.691 25411 15384 1 29 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.236 -0.047 25411 15385 1 29 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.162 -0.926 25411 15386 1 29 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.329 -0.468 25411 15387 1 29 . 1 1 11 11 TYR H H 11 7.562 7.562 8.501 -0.939 25411 15388 1 29 . 1 1 12 12 VAL N N 12 119.304 119.304 119.419 -0.115 25411 15389 1 29 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.673 -0.590 25411 15390 1 29 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.386 0.449 25411 15391 1 29 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.284 -0.185 25411 15392 1 29 . 1 1 12 12 VAL H H 12 8.075 8.075 7.732 0.343 25411 15393 1 29 . 1 1 13 13 GLU N N 13 119.685 119.685 120.378 -0.693 25411 15394 1 29 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.039 0.116 25411 15395 1 29 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.664 -0.239 25411 15396 1 29 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.355 -0.167 25411 15397 1 29 . 1 1 13 13 GLU H H 13 8.278 8.278 8.250 0.028 25411 15398 1 29 . 1 1 14 14 GLN N N 14 119.682 119.682 120.071 -0.389 25411 15399 1 29 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.072 -0.416 25411 15400 1 29 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.733 1.236 25411 15401 1 29 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.289 1.384 25411 15402 1 29 . 1 1 14 14 GLN H H 14 7.653 7.653 8.305 -0.652 25411 15403 1 29 . 1 1 15 15 LEU N N 15 121.000 121.000 120.002 0.998 25411 15404 1 29 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.049 -0.128 25411 15405 1 29 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.692 0.763 25411 15406 1 29 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.205 -0.445 25411 15407 1 29 . 1 1 15 15 LEU H H 15 8.402 8.402 8.490 -0.088 25411 15408 1 29 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.879 -0.183 25411 15409 1 29 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.209 0.049 25411 15410 1 29 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.252 -0.117 25411 15411 1 29 . 1 1 17 17 GLN N N 17 117.558 117.558 118.377 -0.819 25411 15412 1 29 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.078 -0.191 25411 15413 1 29 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.662 -0.220 25411 15414 1 29 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.770 -0.725 25411 15415 1 29 . 1 1 17 17 GLN H H 17 7.849 7.849 8.030 -0.181 25411 15416 1 29 . 1 1 18 18 ALA N N 18 120.288 120.288 123.219 -2.931 25411 15417 1 29 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.178 -0.390 25411 15418 1 29 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.871 0.022 25411 15419 1 29 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.677 -1.281 25411 15420 1 29 . 1 1 18 18 ALA H H 18 8.504 8.504 8.288 0.216 25411 15421 1 29 . 1 1 19 19 LEU N N 19 116.974 116.974 118.194 -1.220 25411 15422 1 29 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.048 -0.289 25411 15423 1 29 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.936 0.616 25411 15424 1 29 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.515 -0.822 25411 15425 1 29 . 1 1 19 19 LEU H H 19 8.143 8.143 8.562 -0.419 25411 15426 1 29 . 1 1 20 20 LYS N N 20 117.776 117.776 121.557 -3.781 25411 15427 1 29 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.033 -0.078 25411 15428 1 29 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.676 -0.132 25411 15429 1 29 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.422 -1.936 25411 15430 1 29 . 1 1 20 20 LYS H H 20 8.340 8.340 8.082 0.258 25411 15431 1 29 . 1 1 21 21 THR N N 21 116.373 116.373 111.905 4.468 25411 15432 1 29 . 1 1 21 21 THR HA H 21 4.107 4.107 4.264 -0.157 25411 15433 1 29 . 1 1 21 21 THR CA C 21 64.611 64.611 64.383 0.228 25411 15434 1 29 . 1 1 21 21 THR CB C 21 68.811 68.811 68.450 0.361 25411 15435 1 29 . 1 1 21 21 THR H H 21 7.302 7.302 7.820 -0.518 25411 15436 1 29 . 1 1 22 22 ARG N N 22 118.647 118.647 119.587 -0.940 25411 15437 1 29 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.490 -0.128 25411 15438 1 29 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.635 -1.570 25411 15439 1 29 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.009 -1.480 25411 15440 1 29 . 1 1 22 22 ARG H H 22 7.290 7.290 7.517 -0.227 25411 15441 1 29 . 1 1 23 23 GLY N N 23 108.637 108.637 107.253 1.384 25411 15442 1 29 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.808 0.304 25411 15443 1 29 . 1 1 23 23 GLY H H 23 7.881 7.881 7.595 0.286 25411 15444 1 29 . 1 1 24 24 VAL N N 24 117.390 117.390 119.844 -2.454 25411 15445 1 29 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.916 0.098 25411 15446 1 29 . 1 1 24 24 VAL CA C 24 61.668 61.668 63.660 -1.992 25411 15447 1 29 . 1 1 24 24 VAL CB C 24 32.372 32.372 31.215 1.157 25411 15448 1 29 . 1 1 24 24 VAL H H 24 7.333 7.333 7.688 -0.355 25411 15449 1 29 . 1 1 25 25 LYS N N 25 127.322 127.322 116.057 11.265 25411 15450 1 29 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.870 0.462 25411 15451 1 29 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.301 -1.539 25411 15452 1 29 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.605 0.156 25411 15453 1 29 . 1 1 25 25 LYS H H 25 8.722 8.722 7.726 0.996 25411 15454 1 29 . 1 1 26 26 VAL N N 26 120.568 120.568 120.143 0.425 25411 15455 1 29 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.239 -0.161 25411 15456 1 29 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.012 -0.347 25411 15457 1 29 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.578 0.069 25411 15458 1 29 . 1 1 26 26 VAL H H 26 7.119 7.119 8.226 -1.107 25411 15459 1 29 . 1 1 27 27 LYS N N 27 125.675 125.675 125.055 0.620 25411 15460 1 29 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.379 -0.053 25411 15461 1 29 . 1 1 27 27 LYS CA C 27 55.411 55.411 54.883 0.528 25411 15462 1 29 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.915 -2.956 25411 15463 1 29 . 1 1 27 27 LYS H H 27 8.570 8.570 7.924 0.646 25411 15464 1 29 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.473 -0.456 25411 15465 1 29 . 1 1 28 28 TYR CA C 28 56.412 56.412 59.141 -2.729 25411 15466 1 29 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.863 1.977 25411 15467 1 29 . 1 1 29 29 ALA N N 29 120.743 120.743 128.562 -7.819 25411 15468 1 29 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.164 -0.496 25411 15469 1 29 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.025 -0.347 25411 15470 1 29 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.765 -0.765 25411 15471 1 29 . 1 1 29 29 ALA H H 29 8.323 8.323 8.792 -0.469 25411 15472 1 29 . 1 1 30 30 ASP N N 30 117.202 117.202 117.673 -0.471 25411 15473 1 29 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.607 -0.326 25411 15474 1 29 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.672 -0.119 25411 15475 1 29 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.107 0.700 25411 15476 1 29 . 1 1 30 30 ASP H H 30 6.872 6.872 8.929 -2.057 25411 15477 1 29 . 1 1 31 31 LEU N N 31 122.273 122.273 120.750 1.523 25411 15478 1 29 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.405 -0.859 25411 15479 1 29 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.487 0.238 25411 15480 1 29 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.421 -1.763 25411 15481 1 29 . 1 1 31 31 LEU H H 31 7.433 7.433 7.677 -0.244 25411 15482 1 29 . 1 1 32 32 LEU N N 32 123.376 123.376 117.722 5.654 25411 15483 1 29 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.166 -0.551 25411 15484 1 29 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.401 0.695 25411 15485 1 29 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.948 -1.406 25411 15486 1 29 . 1 1 32 32 LEU H H 32 8.727 8.727 7.887 0.840 25411 15487 1 29 . 1 1 33 33 LYS N N 33 118.078 118.078 120.508 -2.430 25411 15488 1 29 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.496 -0.283 25411 15489 1 29 . 1 1 33 33 LYS CA C 33 59.098 59.098 58.795 0.303 25411 15490 1 29 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.181 -0.291 25411 15491 1 29 . 1 1 33 33 LYS H H 33 7.149 7.149 7.753 -0.604 25411 15492 1 29 . 1 1 34 34 PHE N N 34 117.398 117.398 121.028 -3.630 25411 15493 1 29 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.599 -4.904 25411 15494 1 29 . 1 1 34 34 PHE CB C 34 41.219 41.219 38.978 2.240 25411 15495 1 29 . 1 1 34 34 PHE H H 34 7.633 7.633 8.608 -0.975 25411 15496 1 29 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.078 -0.285 25411 15497 1 29 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.146 -0.554 25411 15498 1 29 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.336 -2.322 25411 15499 1 29 . 1 1 36 36 ASP N N 36 120.136 120.136 119.046 1.090 25411 15500 1 29 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.391 -0.295 25411 15501 1 29 . 1 1 36 36 ASP CA C 36 56.941 56.941 56.680 0.261 25411 15502 1 29 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.163 -1.058 25411 15503 1 29 . 1 1 36 36 ASP H H 36 8.330 8.330 8.364 -0.034 25411 15504 1 29 . 1 1 37 37 PHE N N 37 121.883 121.883 120.978 0.905 25411 15505 1 29 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.236 0.022 25411 15506 1 29 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.370 -1.672 25411 15507 1 29 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.374 0.811 25411 15508 1 29 . 1 1 37 37 PHE H H 37 7.794 7.794 8.410 -0.616 25411 15509 1 29 . 1 1 38 38 VAL N N 38 118.525 118.525 119.081 -0.556 25411 15510 1 29 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.498 -0.459 25411 15511 1 29 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.156 0.726 25411 15512 1 29 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.180 -0.492 25411 15513 1 29 . 1 1 38 38 VAL H H 38 8.262 8.262 7.833 0.429 25411 15514 1 29 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.926 -0.470 25411 15515 1 29 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.113 -0.059 25411 15516 1 29 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.954 -0.258 25411 15517 1 29 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.530 -0.085 25411 15518 1 29 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.267 0.718 25411 15519 1 29 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.587 -0.895 25411 15520 1 29 . 1 1 41 41 ILE N N 41 120.641 120.641 119.227 1.414 25411 15521 1 29 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.950 0.075 25411 15522 1 29 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.307 -2.655 25411 15523 1 29 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.635 -0.571 25411 15524 1 29 . 1 1 41 41 ILE H H 41 8.788 8.788 7.935 0.853 25411 15525 1 29 . 1 1 42 42 CYS N N 42 117.896 117.896 117.078 0.818 25411 15526 1 29 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.399 0.773 25411 15527 1 29 . 1 1 42 42 CYS CB C 42 28.324 28.324 29.568 -1.244 25411 15528 1 29 . 1 1 42 42 CYS H H 42 7.180 7.180 7.635 -0.455 25411 15529 1 29 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.091 0.224 25411 15530 1 29 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.440 0.563 25411 15531 1 29 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.247 -0.532 25411 15532 1 29 . 1 1 44 44 TRP N N 44 113.823 113.823 116.116 -2.293 25411 15533 1 29 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.285 0.020 25411 15534 1 29 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.245 -1.847 25411 15535 1 29 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.077 -1.266 25411 15536 1 29 . 1 1 44 44 TRP H H 44 6.591 6.591 7.322 -0.731 25411 15537 1 29 . 1 1 45 45 PHE N N 45 123.100 123.100 115.976 7.124 25411 15538 1 29 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.017 -1.016 25411 15539 1 29 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.522 8.287 25411 15540 1 29 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.365 -3.430 25411 15541 1 29 . 1 1 45 45 PHE H H 45 7.239 7.239 7.640 -0.401 25411 15542 1 29 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.231 -0.219 25411 15543 1 29 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.764 -0.233 25411 15544 1 29 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.900 -1.413 25411 15545 1 29 . 1 1 47 47 GLN N N 47 114.502 114.502 116.536 -2.034 25411 15546 1 29 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.144 -0.207 25411 15547 1 29 . 1 1 47 47 GLN CA C 47 58.404 58.404 57.923 0.481 25411 15548 1 29 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.673 0.647 25411 15549 1 29 . 1 1 47 47 GLN H H 47 6.518 6.518 8.447 -1.929 25411 15550 1 29 . 1 1 48 48 GLU N N 48 117.358 117.358 119.002 -1.644 25411 15551 1 29 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.217 -0.179 25411 15552 1 29 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.748 1.423 25411 15553 1 29 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.119 -1.165 25411 15554 1 29 . 1 1 48 48 GLU H H 48 7.318 7.318 7.855 -0.537 25411 15555 1 29 . 1 1 49 49 GLY N N 49 105.534 105.534 107.575 -2.041 25411 15556 1 29 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.898 1.405 25411 15557 1 29 . 1 1 49 49 GLY H H 49 7.296 7.296 7.555 -0.259 25411 15558 1 29 . 1 1 50 50 THR N N 50 114.069 114.069 113.216 0.853 25411 15559 1 29 . 1 1 50 50 THR HA H 50 4.234 4.234 4.340 -0.105 25411 15560 1 29 . 1 1 50 50 THR CA C 50 61.683 61.683 61.349 0.334 25411 15561 1 29 . 1 1 50 50 THR CB C 50 70.718 70.718 70.401 0.317 25411 15562 1 29 . 1 1 50 50 THR H H 50 7.597 7.597 7.687 -0.090 25411 15563 1 29 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.139 -0.014 25411 15564 1 29 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.560 -1.690 25411 15565 1 29 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.474 -4.186 25411 15566 1 29 . 1 1 52 52 ASP N N 52 121.791 121.791 121.776 0.015 25411 15567 1 29 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.717 -0.094 25411 15568 1 29 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.877 -1.145 25411 15569 1 29 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.526 -2.065 25411 15570 1 29 . 1 1 52 52 ASP H H 52 7.168 7.168 8.004 -0.836 25411 15571 1 29 . 1 1 53 53 ILE N N 53 119.537 119.537 118.984 0.553 25411 15572 1 29 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.606 -0.471 25411 15573 1 29 . 1 1 53 53 ILE CA C 53 61.796 61.796 61.673 0.123 25411 15574 1 29 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.796 -1.981 25411 15575 1 29 . 1 1 53 53 ILE H H 53 8.336 8.336 8.390 -0.054 25411 15576 1 29 . 1 1 54 54 LYS N N 54 123.592 123.592 122.042 1.550 25411 15577 1 29 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.014 0.091 25411 15578 1 29 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.110 -0.138 25411 15579 1 29 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.248 -0.500 25411 15580 1 29 . 1 1 54 54 LYS H H 54 8.104 8.104 7.909 0.195 25411 15581 1 29 . 1 1 55 55 ARG N N 55 120.511 120.511 118.413 2.098 25411 15582 1 29 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.088 0.213 25411 15583 1 29 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.327 0.576 25411 15584 1 29 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.235 -0.179 25411 15585 1 29 . 1 1 55 55 ARG H H 55 9.196 9.196 8.956 0.240 25411 15586 1 29 . 1 1 56 56 TRP N N 56 120.681 120.681 121.674 -0.993 25411 15587 1 29 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.281 0.422 25411 15588 1 29 . 1 1 56 56 TRP CA C 56 59.406 59.406 59.462 -0.056 25411 15589 1 29 . 1 1 56 56 TRP CB C 56 30.014 30.014 28.889 1.125 25411 15590 1 29 . 1 1 56 56 TRP H H 56 8.899 8.899 7.748 1.151 25411 15591 1 29 . 1 1 57 57 ARG N N 57 122.115 122.115 120.239 1.876 25411 15592 1 29 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.207 1.200 25411 15593 1 29 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.327 0.701 25411 15594 1 29 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.744 0.042 25411 15595 1 29 . 1 1 57 57 ARG H H 57 9.210 9.210 7.954 1.256 25411 15596 1 29 . 1 1 58 58 ARG N N 58 120.918 120.918 119.305 1.613 25411 15597 1 29 . 1 1 58 58 ARG CA C 58 59.845 59.845 58.815 1.030 25411 15598 1 29 . 1 1 58 58 ARG CB C 58 29.729 29.729 29.875 -0.146 25411 15599 1 29 . 1 1 58 58 ARG H H 58 7.640 7.640 7.655 -0.015 25411 15600 1 29 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.837 -0.073 25411 15601 1 29 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.668 0.331 25411 15602 1 29 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.547 -0.715 25411 15603 1 29 . 1 1 59 59 VAL H H 59 7.916 7.916 7.704 0.212 25411 15604 1 29 . 1 1 60 60 GLY N N 60 106.856 106.856 107.519 -0.663 25411 15605 1 29 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.176 -1.095 25411 15606 1 29 . 1 1 60 60 GLY H H 60 7.623 7.623 8.185 -0.562 25411 15607 1 29 . 1 1 61 61 ASP N N 61 123.308 123.308 122.185 1.123 25411 15608 1 29 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.602 -0.377 25411 15609 1 29 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.330 -0.530 25411 15610 1 29 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.939 -1.455 25411 15611 1 29 . 1 1 61 61 ASP H H 61 8.203 8.203 8.168 0.035 25411 15612 1 29 . 1 1 62 62 CYS N N 62 120.841 120.841 118.742 2.099 25411 15613 1 29 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.100 0.138 25411 15614 1 29 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.710 -1.760 25411 15615 1 29 . 1 1 62 62 CYS CB C 62 26.503 26.503 27.199 -0.696 25411 15616 1 29 . 1 1 62 62 CYS H H 62 7.795 7.795 7.717 0.078 25411 15617 1 29 . 1 1 63 63 PHE N N 63 119.763 119.763 120.440 -0.677 25411 15618 1 29 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.240 0.038 25411 15619 1 29 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.747 -3.090 25411 15620 1 29 . 1 1 63 63 PHE CB C 63 36.990 36.990 39.401 -2.411 25411 15621 1 29 . 1 1 63 63 PHE H H 63 8.647 8.647 8.069 0.578 25411 15622 1 29 . 1 1 64 64 GLN N N 64 118.578 118.578 119.547 -0.969 25411 15623 1 29 . 1 1 64 64 GLN HA H 64 4.308 4.308 3.954 0.354 25411 15624 1 29 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.962 0.371 25411 15625 1 29 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.336 0.243 25411 15626 1 29 . 1 1 64 64 GLN H H 64 8.261 8.261 8.492 -0.231 25411 15627 1 29 . 1 1 65 65 ASP N N 65 119.534 119.534 121.018 -1.484 25411 15628 1 29 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.394 0.090 25411 15629 1 29 . 1 1 65 65 ASP CA C 65 57.329 57.329 56.812 0.517 25411 15630 1 29 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.890 -1.219 25411 15631 1 29 . 1 1 65 65 ASP H H 65 8.338 8.338 8.394 -0.056 25411 15632 1 29 . 1 1 66 66 TYR N N 66 123.600 123.600 122.169 1.431 25411 15633 1 29 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.848 0.654 25411 15634 1 29 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.037 -0.806 25411 15635 1 29 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.334 0.099 25411 15636 1 29 . 1 1 66 66 TYR H H 66 7.804 7.804 8.345 -0.541 25411 15637 1 29 . 1 1 67 67 TYR N N 67 122.825 122.825 117.812 5.013 25411 15638 1 29 . 1 1 67 67 TYR HA H 67 3.997 3.997 4.019 -0.022 25411 15639 1 29 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.336 0.567 25411 15640 1 29 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.309 0.637 25411 15641 1 29 . 1 1 67 67 TYR H H 67 9.100 9.100 8.103 0.997 25411 15642 1 29 . 1 1 68 68 ASN N N 68 118.826 118.826 116.703 2.123 25411 15643 1 29 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.249 0.034 25411 15644 1 29 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.898 -0.466 25411 15645 1 29 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.245 -0.369 25411 15646 1 29 . 1 1 68 68 ASN H H 68 8.853 8.853 8.429 0.424 25411 15647 1 29 . 1 1 69 69 THR N N 69 114.242 114.242 115.391 -1.149 25411 15648 1 29 . 1 1 69 69 THR HA H 69 3.837 3.837 4.033 -0.196 25411 15649 1 29 . 1 1 69 69 THR CA C 69 65.328 65.328 65.431 -0.103 25411 15650 1 29 . 1 1 69 69 THR CB C 69 69.249 69.249 67.989 1.260 25411 15651 1 29 . 1 1 69 69 THR H H 69 7.847 7.847 8.023 -0.176 25411 15652 1 29 . 1 1 70 70 PHE N N 70 117.970 117.970 118.626 -0.656 25411 15653 1 29 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.335 0.229 25411 15654 1 29 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.005 0.237 25411 15655 1 29 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.349 2.725 25411 15656 1 29 . 1 1 70 70 PHE H H 70 8.489 8.489 7.138 1.351 25411 15657 1 29 . 1 1 71 71 GLY N N 71 109.516 109.516 108.279 1.237 25411 15658 1 29 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.779 0.253 25411 15659 1 29 . 1 1 71 71 GLY H H 71 7.968 7.968 7.484 0.484 25411 15660 1 29 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.347 0.364 25411 15661 1 29 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.263 1.034 25411 15662 1 29 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.345 0.399 25411 15663 1 29 . 1 1 73 73 GLU N N 73 117.720 117.720 126.370 -8.650 25411 15664 1 29 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.074 -0.175 25411 15665 1 29 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.473 0.263 25411 15666 1 29 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.679 -0.816 25411 15667 1 29 . 1 1 73 73 GLU H H 73 8.586 8.586 8.476 0.110 25411 15668 1 29 . 1 1 74 74 LYS N N 74 116.974 116.974 118.810 -1.836 25411 15669 1 29 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.378 0.011 25411 15670 1 29 . 1 1 74 74 LYS CA C 74 55.185 55.185 54.799 0.386 25411 15671 1 29 . 1 1 74 74 LYS CB C 74 34.087 34.087 30.853 3.234 25411 15672 1 29 . 1 1 74 74 LYS H H 74 7.505 7.505 8.146 -0.641 25411 15673 1 29 . 1 1 75 75 VAL N N 75 117.309 117.309 123.462 -6.153 25411 15674 1 29 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.195 0.118 25411 15675 1 29 . 1 1 75 75 VAL CA C 75 62.045 62.045 61.168 0.877 25411 15676 1 29 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.379 -0.395 25411 15677 1 29 . 1 1 75 75 VAL H H 75 7.402 7.402 7.402 -0.000 25411 15678 1 29 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.553 0.009 25411 15679 1 29 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.721 -1.034 25411 15680 1 29 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.519 -0.788 25411 15681 1 29 . 1 1 77 77 VAL N N 77 120.870 120.870 121.359 -0.489 25411 15682 1 29 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.167 -0.339 25411 15683 1 29 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.244 1.594 25411 15684 1 29 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.833 -0.446 25411 15685 1 29 . 1 1 77 77 VAL H H 77 8.473 8.473 8.830 -0.357 25411 15686 1 29 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.800 0.052 25411 15687 1 29 . 1 1 78 78 ILE CA C 78 61.125 61.125 63.913 -2.788 25411 15688 1 29 . 1 1 78 78 ILE CB C 78 37.135 37.135 37.022 0.113 25411 15689 1 29 . 1 1 78 78 ILE H H 78 8.388 8.388 7.883 0.505 25411 15690 1 29 . 1 1 79 79 ALA N N 79 123.960 123.960 122.358 1.602 25411 15691 1 29 . 1 1 79 79 ALA HA H 79 3.890 3.890 3.925 -0.035 25411 15692 1 29 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.586 0.303 25411 15693 1 29 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.313 -0.690 25411 15694 1 29 . 1 1 79 79 ALA H H 79 7.953 7.953 7.936 0.017 25411 15695 1 29 . 1 1 80 80 PHE N N 80 114.330 114.330 114.027 0.303 25411 15696 1 29 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.417 0.014 25411 15697 1 29 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.833 1.479 25411 15698 1 29 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.133 -1.478 25411 15699 1 29 . 1 1 80 80 PHE H H 80 7.499 7.499 8.049 -0.550 25411 15700 1 29 . 1 1 81 81 SER N N 81 115.971 115.971 114.013 1.958 25411 15701 1 29 . 1 1 81 81 SER HA H 81 4.206 4.206 4.471 -0.265 25411 15702 1 29 . 1 1 81 81 SER CA C 81 58.432 58.432 59.047 -0.615 25411 15703 1 29 . 1 1 81 81 SER CB C 81 63.575 63.575 63.702 -0.126 25411 15704 1 29 . 1 1 81 81 SER H H 81 8.225 8.225 7.465 0.760 25411 15705 1 29 . 1 1 82 82 TYR N N 82 121.997 121.997 123.338 -1.341 25411 15706 1 29 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.274 0.173 25411 15707 1 29 . 1 1 82 82 TYR CA C 82 55.885 55.885 59.566 -3.681 25411 15708 1 29 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.667 -0.829 25411 15709 1 29 . 1 1 82 82 TYR H H 82 8.378 8.378 7.562 0.816 25411 15710 1 29 . 1 1 83 83 TRP N N 83 120.268 120.268 118.199 2.069 25411 15711 1 29 . 1 1 83 83 TRP CA C 83 57.393 57.393 58.965 -1.572 25411 15712 1 29 . 1 1 83 83 TRP CB C 83 28.894 28.894 28.702 0.192 25411 15713 1 29 . 1 1 83 83 TRP H H 83 8.546 8.546 8.751 -0.205 25411 15714 1 29 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.452 -0.232 25411 15715 1 29 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.274 0.355 25411 15716 1 29 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.837 1.228 25411 15717 1 29 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.372 -0.326 25411 15718 1 29 . 1 1 85 85 LEU CA C 85 58.142 58.142 56.892 1.250 25411 15719 1 29 . 1 1 85 85 LEU CB C 85 41.692 41.692 42.092 -0.400 25411 15720 1 29 . 1 1 86 86 ILE N N 86 117.000 117.000 119.920 -2.920 25411 15721 1 29 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.609 -0.163 25411 15722 1 29 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.821 -2.538 25411 15723 1 29 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.281 -1.869 25411 15724 1 29 . 1 1 86 86 ILE H H 86 7.882 7.882 7.864 0.018 25411 15725 1 29 . 1 1 87 87 LYS HA H 87 3.226 3.226 4.122 -0.896 25411 15726 1 29 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.420 0.576 25411 15727 1 29 . 1 1 87 87 LYS CB C 87 31.050 31.050 32.368 -1.318 25411 15728 1 29 . 1 1 88 88 GLU N N 88 116.404 116.404 117.706 -1.302 25411 15729 1 29 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.403 -0.556 25411 15730 1 29 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.375 0.536 25411 15731 1 29 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.118 -0.149 25411 15732 1 29 . 1 1 88 88 GLU H H 88 7.689 7.689 7.918 -0.229 25411 15733 1 29 . 1 1 89 89 LEU N N 89 118.193 118.193 121.652 -3.459 25411 15734 1 29 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.189 -0.300 25411 15735 1 29 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.914 1.049 25411 15736 1 29 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.141 -0.841 25411 15737 1 29 . 1 1 89 89 LEU H H 89 7.415 7.415 7.813 -0.398 25411 15738 1 29 . 1 1 90 90 ILE N N 90 115.471 115.471 120.553 -5.082 25411 15739 1 29 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.676 -0.258 25411 15740 1 29 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.263 0.645 25411 15741 1 29 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.660 -0.066 25411 15742 1 29 . 1 1 90 90 ILE H H 90 7.718 7.718 7.721 -0.003 25411 15743 1 29 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.533 -0.813 25411 15744 1 29 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.699 0.965 25411 15745 1 29 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.035 0.497 25411 15746 1 29 . 1 1 92 92 LYS N N 92 119.253 119.253 118.806 0.447 25411 15747 1 29 . 1 1 92 92 LYS CA C 92 58.897 58.897 56.697 2.200 25411 15748 1 29 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.406 -0.418 25411 15749 1 29 . 1 1 92 92 LYS H H 92 7.869 7.869 7.708 0.161 25411 15750 1 29 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.017 0.514 25411 15751 1 29 . 1 1 93 93 LYS CA C 93 55.258 55.258 59.353 -4.096 25411 15752 1 29 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.179 -0.010 25411 15753 1 29 . 1 1 94 94 GLU N N 94 116.729 116.729 119.172 -2.443 25411 15754 1 29 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.157 -0.024 25411 15755 1 29 . 1 1 94 94 GLU CA C 94 59.319 59.319 58.392 0.926 25411 15756 1 29 . 1 1 94 94 GLU CB C 94 27.375 27.375 28.805 -1.430 25411 15757 1 29 . 1 1 94 94 GLU H H 94 8.393 8.393 8.300 0.093 25411 15758 1 29 . 1 1 95 95 VAL N N 95 121.696 121.696 117.526 4.170 25411 15759 1 29 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.870 0.612 25411 15760 1 29 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.831 2.890 25411 15761 1 29 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.339 1.555 25411 15762 1 29 . 1 1 95 95 VAL H H 95 7.923 7.923 7.840 0.083 25411 15763 1 29 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.657 -0.299 25411 15764 1 29 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.569 0.038 25411 15765 1 29 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.633 -0.759 25411 15766 1 29 . 1 1 98 98 GLN N N 98 117.731 117.731 119.327 -1.596 25411 15767 1 29 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.064 -0.139 25411 15768 1 29 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.266 0.342 25411 15769 1 29 . 1 1 98 98 GLN CB C 98 28.521 28.521 28.018 0.503 25411 15770 1 29 . 1 1 98 98 GLN H H 98 8.359 8.359 8.825 -0.466 25411 15771 1 29 . 1 1 99 99 VAL N N 99 121.326 121.326 117.966 3.360 25411 15772 1 29 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.736 -0.316 25411 15773 1 29 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.344 1.060 25411 15774 1 29 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.493 0.126 25411 15775 1 29 . 1 1 99 99 VAL H H 99 7.901 7.901 8.130 -0.229 25411 15776 1 29 . 1 1 100 100 MET N N 100 120.447 120.447 116.247 4.200 25411 15777 1 29 . 1 1 100 100 MET HA H 100 3.812 3.812 4.372 -0.560 25411 15778 1 29 . 1 1 100 100 MET CA C 100 59.297 59.297 58.002 1.295 25411 15779 1 29 . 1 1 100 100 MET CB C 100 32.099 32.099 33.208 -1.109 25411 15780 1 29 . 1 1 100 100 MET H H 100 7.509 7.509 7.514 -0.005 25411 15781 1 29 . 1 1 101 101 ALA N N 101 119.458 119.458 121.460 -2.002 25411 15782 1 29 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.269 -0.059 25411 15783 1 29 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.239 0.513 25411 15784 1 29 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.442 -0.921 25411 15785 1 29 . 1 1 101 101 ALA H H 101 7.889 7.889 7.621 0.268 25411 15786 1 29 . 1 1 102 102 ALA N N 102 119.627 119.627 121.403 -1.776 25411 15787 1 29 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.119 -0.126 25411 15788 1 29 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.568 0.320 25411 15789 1 29 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.379 -1.035 25411 15790 1 29 . 1 1 102 102 ALA H H 102 7.563 7.563 8.346 -0.783 25411 15791 1 29 . 1 1 103 103 VAL N N 103 122.690 122.690 118.262 4.428 25411 15792 1 29 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.920 0.153 25411 15793 1 29 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.848 -4.163 25411 15794 1 29 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.052 2.170 25411 15795 1 29 . 1 1 103 103 VAL H H 103 8.828 8.828 7.974 0.854 25411 15796 1 29 . 1 1 104 104 ALA N N 104 128.041 128.041 119.355 8.686 25411 15797 1 29 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.173 0.096 25411 15798 1 29 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.627 -2.486 25411 15799 1 29 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.474 0.466 25411 15800 1 29 . 1 1 104 104 ALA H H 104 8.367 8.367 7.541 0.826 25411 15801 1 29 . 1 1 105 105 GLN N N 105 120.265 120.265 115.723 4.542 25411 15802 1 29 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.090 -0.159 25411 15803 1 29 . 1 1 105 105 GLN CB C 105 29.020 29.020 30.137 -1.117 25411 15804 1 29 . 1 1 105 105 GLN H H 105 8.356 8.356 7.906 0.450 25411 15805 1 29 . 1 1 106 106 THR HA H 106 4.320 4.320 4.359 -0.039 25411 15806 1 29 . 1 1 106 106 THR CA C 106 61.346 61.346 64.028 -2.682 25411 15807 1 29 . 1 1 106 106 THR CB C 106 69.293 69.293 69.005 0.288 25411 15808 1 29 . 1 1 107 107 GLU N N 107 122.706 122.706 121.178 1.528 25411 15809 1 29 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.135 0.047 25411 15810 1 29 . 1 1 107 107 GLU CA C 107 56.576 56.576 58.527 -1.951 25411 15811 1 29 . 1 1 107 107 GLU CB C 107 29.936 29.936 30.539 -0.603 25411 15812 1 29 . 1 1 107 107 GLU H H 107 8.404 8.404 7.611 0.793 25411 15813 1 29 . 1 1 108 108 GLU N N 108 122.034 122.034 115.438 6.596 25411 15814 1 29 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.170 -0.009 25411 15815 1 29 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.295 -0.646 25411 15816 1 29 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.570 0.106 25411 15817 1 29 . 1 1 108 108 GLU H H 108 7.341 7.341 7.778 -0.437 25411 15818 1 29 . 1 1 109 109 ILE N N 109 122.151 122.151 114.797 7.354 25411 15819 1 29 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.295 -0.248 25411 15820 1 29 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.700 -1.135 25411 15821 1 29 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.477 -0.374 25411 15822 1 29 . 1 1 109 109 ILE H H 109 8.058 8.058 8.677 -0.619 25411 15823 1 29 . 1 1 110 110 LEU N N 110 122.427 122.427 121.449 0.978 25411 15824 1 29 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.122 0.154 25411 15825 1 29 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.692 -1.541 25411 15826 1 29 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.935 -8.680 25411 15827 1 29 . 1 1 110 110 LEU H H 110 8.194 8.194 7.934 0.260 25411 15828 1 29 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.037 0.210 25411 15829 1 29 . 1 1 111 111 LYS CA C 111 56.137 56.137 58.294 -2.157 25411 15830 1 29 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.591 -0.022 25411 15831 1 29 . 1 1 112 112 SER N N 112 116.453 116.453 112.727 3.726 25411 15832 1 29 . 1 1 112 112 SER HA H 112 4.175 4.175 4.155 0.020 25411 15833 1 29 . 1 1 112 112 SER CA C 112 58.311 58.311 59.827 -1.516 25411 15834 1 29 . 1 1 112 112 SER CB C 112 63.441 63.441 62.145 1.296 25411 15835 1 29 . 1 1 112 112 SER H H 112 8.204 8.204 7.918 0.286 25411 15836 1 29 . 1 1 113 113 ASN N N 113 119.747 119.747 116.290 3.457 25411 15837 1 29 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.792 -0.148 25411 15838 1 29 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.603 1.042 25411 15839 1 29 . 1 1 113 113 ASN CB C 113 38.646 38.646 39.169 -0.523 25411 15840 1 29 . 1 1 113 113 ASN H H 113 7.944 7.944 7.852 0.092 25411 15841 1 29 . 1 1 114 114 SER N N 114 115.433 115.433 114.646 0.787 25411 15842 1 29 . 1 1 114 114 SER HA H 114 4.336 4.336 4.504 -0.168 25411 15843 1 29 . 1 1 114 114 SER CA C 114 58.711 58.711 59.429 -0.718 25411 15844 1 29 . 1 1 114 114 SER CB C 114 63.308 63.308 64.387 -1.079 25411 15845 1 29 . 1 1 114 114 SER H H 114 7.962 7.962 8.538 -0.576 25411 15846 1 29 . 1 1 115 115 GLN N N 115 121.682 121.682 121.532 0.150 25411 15847 1 29 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.145 0.129 25411 15848 1 29 . 1 1 115 115 GLN CA C 115 56.193 56.193 57.862 -1.669 25411 15849 1 29 . 1 1 115 115 GLN CB C 115 28.807 28.807 29.604 -0.797 25411 15850 1 29 . 1 1 115 115 GLN H H 115 8.207 8.207 7.779 0.428 25411 15851 1 29 . 1 1 116 116 THR N N 116 114.715 114.715 105.085 9.630 25411 15852 1 29 . 1 1 116 116 THR HA H 116 4.225 4.225 4.760 -0.535 25411 15853 1 29 . 1 1 116 116 THR CA C 116 62.109 62.109 60.048 2.061 25411 15854 1 29 . 1 1 116 116 THR CB C 116 69.336 69.336 71.719 -2.383 25411 15855 1 29 . 1 1 116 116 THR H H 116 8.062 8.062 7.596 0.466 25411 15856 1 29 . 1 1 117 117 ASP N N 117 122.602 122.602 120.520 2.082 25411 15857 1 29 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.312 0.256 25411 15858 1 29 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.399 -2.195 25411 15859 1 29 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.133 0.532 25411 15860 1 29 . 1 1 117 117 ASP H H 117 8.065 8.065 8.925 -0.860 25411 15861 1 29 . 1 1 118 118 LEU N N 118 122.140 122.140 119.652 2.488 25411 15862 1 29 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.332 -0.177 25411 15863 1 29 . 1 1 118 118 LEU CA C 118 55.423 55.423 55.720 -0.297 25411 15864 1 29 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.146 0.727 25411 15865 1 29 . 1 1 118 118 LEU H H 118 8.085 8.085 7.762 0.323 25411 15866 1 29 . 1 1 119 119 GLU N N 119 119.672 119.672 119.435 0.237 25411 15867 1 29 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.787 0.281 25411 15868 1 29 . 1 1 119 119 GLU CA C 119 56.565 56.565 59.462 -2.897 25411 15869 1 29 . 1 1 119 119 GLU CB C 119 29.572 29.572 29.111 0.461 25411 15870 1 29 . 1 1 119 119 GLU H H 119 8.143 8.143 7.305 0.838 25411 15871 1 29 . 1 1 120 120 HIS N N 120 118.301 118.301 113.551 4.750 25411 15872 1 29 . 1 1 120 120 HIS CA C 120 55.883 55.883 58.658 -2.775 25411 15873 1 29 . 1 1 120 120 HIS CB C 120 29.270 29.270 28.070 1.200 25411 15874 1 29 . 1 1 120 120 HIS H H 120 8.107 8.107 8.019 0.088 25411 15875 1 29 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.629 -0.621 25411 15876 1 29 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.968 -0.802 25411 15877 1 29 . 1 1 121 121 HIS CB C 121 28.759 28.759 31.546 -2.787 25411 15878 1 29 . 1 1 122 122 HIS N N 122 122.407 122.407 118.773 3.634 25411 15879 1 29 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.412 -0.194 25411 15880 1 29 . 1 1 122 122 HIS CA C 122 56.081 56.081 57.038 -0.956 25411 15881 1 29 . 1 1 122 122 HIS CB C 122 29.371 29.371 30.715 -1.345 25411 15882 1 29 . 1 1 122 122 HIS H H 122 8.489 8.489 8.394 0.095 25411 15883 1 29 . 1 1 123 123 HIS N N 123 122.868 122.868 119.224 3.644 25411 15884 1 29 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.549 -0.162 25411 15885 1 29 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.210 0.100 25411 15886 1 29 . 1 1 123 123 HIS CB C 123 29.502 29.502 28.654 0.848 25411 15887 1 29 . 1 1 123 123 HIS H H 123 8.596 8.596 8.606 -0.010 25411 15888 1 29 . 1 1 124 124 HIS N N 124 123.734 123.734 125.268 -1.534 25411 15889 1 29 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.885 -0.328 25411 15890 1 29 . 1 1 124 124 HIS CA C 124 55.385 55.385 53.803 1.582 25411 15891 1 29 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.210 1.148 25411 15892 1 29 . 1 1 124 124 HIS H H 124 8.255 8.255 8.521 -0.267 25411 15893 1 30 . 1 1 3 3 GLN N N 3 122.360 122.360 120.460 1.900 25411 15894 1 30 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.440 -0.552 25411 15895 1 30 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.678 2.063 25411 15896 1 30 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.608 -0.226 25411 15897 1 30 . 1 1 3 3 GLN H H 3 9.398 9.398 8.575 0.823 25411 15898 1 30 . 1 1 4 4 GLU N N 4 119.689 119.689 120.076 -0.387 25411 15899 1 30 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.191 0.483 25411 15900 1 30 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.827 -0.020 25411 15901 1 30 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.793 -0.092 25411 15902 1 30 . 1 1 4 4 GLU H H 4 7.464 7.464 8.873 -1.409 25411 15903 1 30 . 1 1 5 5 LEU N N 5 114.872 114.872 121.504 -6.632 25411 15904 1 30 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.157 -0.456 25411 15905 1 30 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.266 -0.528 25411 15906 1 30 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.899 -1.084 25411 15907 1 30 . 1 1 5 5 LEU H H 5 8.206 8.206 7.716 0.490 25411 15908 1 30 . 1 1 6 6 SER N N 6 109.762 109.762 113.393 -3.631 25411 15909 1 30 . 1 1 6 6 SER HA H 6 4.092 4.092 4.118 -0.026 25411 15910 1 30 . 1 1 6 6 SER CA C 6 60.415 60.415 61.615 -1.200 25411 15911 1 30 . 1 1 6 6 SER CB C 6 63.391 63.391 62.541 0.850 25411 15912 1 30 . 1 1 6 6 SER H H 6 8.253 8.253 8.192 0.061 25411 15913 1 30 . 1 1 7 7 GLN N N 7 117.498 117.498 122.496 -4.998 25411 15914 1 30 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.115 -0.160 25411 15915 1 30 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.654 -0.229 25411 15916 1 30 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.799 -0.060 25411 15917 1 30 . 1 1 7 7 GLN H H 7 8.673 8.673 7.784 0.889 25411 15918 1 30 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.329 -0.532 25411 15919 1 30 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.592 -0.537 25411 15920 1 30 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.098 -0.989 25411 15921 1 30 . 1 1 9 9 GLU N N 9 120.354 120.354 119.257 1.097 25411 15922 1 30 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.125 -0.166 25411 15923 1 30 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.597 0.661 25411 15924 1 30 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.703 -0.477 25411 15925 1 30 . 1 1 9 9 GLU H H 9 7.690 7.690 8.467 -0.777 25411 15926 1 30 . 1 1 10 10 ARG N N 10 118.753 118.753 119.851 -1.098 25411 15927 1 30 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.049 0.050 25411 15928 1 30 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.340 -1.119 25411 15929 1 30 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.169 -1.074 25411 15930 1 30 . 1 1 10 10 ARG H H 10 8.928 8.928 7.813 1.115 25411 15931 1 30 . 1 1 11 11 TYR N N 11 121.288 121.288 120.116 1.172 25411 15932 1 30 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.246 -0.057 25411 15933 1 30 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.225 -0.989 25411 15934 1 30 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.443 -0.582 25411 15935 1 30 . 1 1 11 11 TYR H H 11 7.562 7.562 8.789 -1.227 25411 15936 1 30 . 1 1 12 12 VAL N N 12 119.304 119.304 119.627 -0.323 25411 15937 1 30 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.709 -0.626 25411 15938 1 30 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.530 0.305 25411 15939 1 30 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.277 -0.178 25411 15940 1 30 . 1 1 12 12 VAL H H 12 8.075 8.075 7.837 0.238 25411 15941 1 30 . 1 1 13 13 GLU N N 13 119.685 119.685 119.936 -0.251 25411 15942 1 30 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.058 0.097 25411 15943 1 30 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.209 0.216 25411 15944 1 30 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.274 -0.086 25411 15945 1 30 . 1 1 13 13 GLU H H 13 8.278 8.278 7.697 0.581 25411 15946 1 30 . 1 1 14 14 GLN N N 14 119.682 119.682 120.185 -0.503 25411 15947 1 30 . 1 1 14 14 GLN HA H 14 3.656 3.656 3.954 -0.298 25411 15948 1 30 . 1 1 14 14 GLN CA C 14 59.969 59.969 59.088 0.881 25411 15949 1 30 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.527 1.146 25411 15950 1 30 . 1 1 14 14 GLN H H 14 7.653 7.653 8.257 -0.604 25411 15951 1 30 . 1 1 15 15 LEU N N 15 121.000 121.000 118.706 2.294 25411 15952 1 30 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.085 -0.164 25411 15953 1 30 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.302 1.153 25411 15954 1 30 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.162 -0.402 25411 15955 1 30 . 1 1 15 15 LEU H H 15 8.402 8.402 8.504 -0.102 25411 15956 1 30 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.886 -0.190 25411 15957 1 30 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.261 -0.004 25411 15958 1 30 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.290 -0.155 25411 15959 1 30 . 1 1 17 17 GLN N N 17 117.558 117.558 118.505 -0.947 25411 15960 1 30 . 1 1 17 17 GLN HA H 17 3.887 3.887 3.999 -0.112 25411 15961 1 30 . 1 1 17 17 GLN CA C 17 58.442 58.442 59.043 -0.601 25411 15962 1 30 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.591 -0.546 25411 15963 1 30 . 1 1 17 17 GLN H H 17 7.849 7.849 8.399 -0.550 25411 15964 1 30 . 1 1 18 18 ALA N N 18 120.288 120.288 122.757 -2.469 25411 15965 1 30 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.141 -0.353 25411 15966 1 30 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.877 0.016 25411 15967 1 30 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.536 -1.140 25411 15968 1 30 . 1 1 18 18 ALA H H 18 8.504 8.504 8.110 0.394 25411 15969 1 30 . 1 1 19 19 LEU N N 19 116.974 116.974 118.329 -1.355 25411 15970 1 30 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.049 -0.290 25411 15971 1 30 . 1 1 19 19 LEU CA C 19 57.552 57.552 57.231 0.321 25411 15972 1 30 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.867 -1.174 25411 15973 1 30 . 1 1 19 19 LEU H H 19 8.143 8.143 8.275 -0.132 25411 15974 1 30 . 1 1 20 20 LYS N N 20 117.776 117.776 120.888 -3.112 25411 15975 1 30 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.064 -0.109 25411 15976 1 30 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.918 -0.374 25411 15977 1 30 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.509 -2.023 25411 15978 1 30 . 1 1 20 20 LYS H H 20 8.340 8.340 8.326 0.014 25411 15979 1 30 . 1 1 21 21 THR N N 21 116.373 116.373 111.336 5.037 25411 15980 1 30 . 1 1 21 21 THR HA H 21 4.107 4.107 4.183 -0.076 25411 15981 1 30 . 1 1 21 21 THR CA C 21 64.611 64.611 64.391 0.220 25411 15982 1 30 . 1 1 21 21 THR CB C 21 68.811 68.811 68.544 0.266 25411 15983 1 30 . 1 1 21 21 THR H H 21 7.302 7.302 7.953 -0.651 25411 15984 1 30 . 1 1 22 22 ARG N N 22 118.647 118.647 119.532 -0.885 25411 15985 1 30 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.455 -0.093 25411 15986 1 30 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.940 -1.875 25411 15987 1 30 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.144 -1.616 25411 15988 1 30 . 1 1 22 22 ARG H H 22 7.290 7.290 7.885 -0.595 25411 15989 1 30 . 1 1 23 23 GLY N N 23 108.637 108.637 107.584 1.053 25411 15990 1 30 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.515 0.597 25411 15991 1 30 . 1 1 23 23 GLY H H 23 7.881 7.881 7.668 0.213 25411 15992 1 30 . 1 1 24 24 VAL N N 24 117.390 117.390 123.273 -5.883 25411 15993 1 30 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.901 0.113 25411 15994 1 30 . 1 1 24 24 VAL CA C 24 61.668 61.668 62.675 -1.007 25411 15995 1 30 . 1 1 24 24 VAL CB C 24 32.372 32.372 29.499 2.873 25411 15996 1 30 . 1 1 24 24 VAL H H 24 7.333 7.333 7.498 -0.165 25411 15997 1 30 . 1 1 25 25 LYS N N 25 127.322 127.322 126.913 0.409 25411 15998 1 30 . 1 1 25 25 LYS HA H 25 4.332 4.332 4.104 0.228 25411 15999 1 30 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.148 -1.386 25411 16000 1 30 . 1 1 25 25 LYS CB C 25 31.761 31.761 32.709 -0.948 25411 16001 1 30 . 1 1 25 25 LYS H H 25 8.722 8.722 7.908 0.814 25411 16002 1 30 . 1 1 26 26 VAL N N 26 120.568 120.568 120.586 -0.018 25411 16003 1 30 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.219 -0.141 25411 16004 1 30 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.239 -0.574 25411 16005 1 30 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.763 -0.116 25411 16006 1 30 . 1 1 26 26 VAL H H 26 7.119 7.119 8.001 -0.882 25411 16007 1 30 . 1 1 27 27 LYS N N 27 125.675 125.675 126.135 -0.460 25411 16008 1 30 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.106 0.220 25411 16009 1 30 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.472 -0.061 25411 16010 1 30 . 1 1 27 27 LYS CB C 27 31.959 31.959 33.583 -1.624 25411 16011 1 30 . 1 1 27 27 LYS H H 27 8.570 8.570 8.282 0.288 25411 16012 1 30 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.429 -0.412 25411 16013 1 30 . 1 1 28 28 TYR CA C 28 56.412 56.412 57.690 -1.278 25411 16014 1 30 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.236 2.604 25411 16015 1 30 . 1 1 29 29 ALA N N 29 120.743 120.743 128.638 -7.895 25411 16016 1 30 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.108 -0.440 25411 16017 1 30 . 1 1 29 29 ALA CA C 29 54.678 54.678 54.833 -0.155 25411 16018 1 30 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.195 -1.195 25411 16019 1 30 . 1 1 29 29 ALA H H 29 8.323 8.323 8.592 -0.269 25411 16020 1 30 . 1 1 30 30 ASP N N 30 117.202 117.202 117.767 -0.565 25411 16021 1 30 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.357 -0.076 25411 16022 1 30 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.067 0.486 25411 16023 1 30 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.948 -0.141 25411 16024 1 30 . 1 1 30 30 ASP H H 30 6.872 6.872 8.528 -1.656 25411 16025 1 30 . 1 1 31 31 LEU N N 31 122.273 122.273 118.723 3.550 25411 16026 1 30 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.376 -0.830 25411 16027 1 30 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.523 0.202 25411 16028 1 30 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.356 -1.698 25411 16029 1 30 . 1 1 31 31 LEU H H 31 7.433 7.433 7.646 -0.213 25411 16030 1 30 . 1 1 32 32 LEU N N 32 123.376 123.376 119.376 4.000 25411 16031 1 30 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.189 -0.574 25411 16032 1 30 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.239 -0.143 25411 16033 1 30 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.856 -1.314 25411 16034 1 30 . 1 1 32 32 LEU H H 32 8.727 8.727 7.915 0.812 25411 16035 1 30 . 1 1 33 33 LYS N N 33 118.078 118.078 120.013 -1.935 25411 16036 1 30 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.531 -0.318 25411 16037 1 30 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.245 -0.146 25411 16038 1 30 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.172 -0.282 25411 16039 1 30 . 1 1 33 33 LYS H H 33 7.149 7.149 7.469 -0.320 25411 16040 1 30 . 1 1 34 34 PHE N N 34 117.398 117.398 120.699 -3.301 25411 16041 1 30 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.830 -5.135 25411 16042 1 30 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.122 2.097 25411 16043 1 30 . 1 1 34 34 PHE H H 34 7.633 7.633 8.518 -0.885 25411 16044 1 30 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.124 -0.331 25411 16045 1 30 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.065 -0.473 25411 16046 1 30 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.449 -2.435 25411 16047 1 30 . 1 1 36 36 ASP N N 36 120.136 120.136 119.358 0.778 25411 16048 1 30 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.443 -0.347 25411 16049 1 30 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.066 -0.125 25411 16050 1 30 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.709 -1.605 25411 16051 1 30 . 1 1 36 36 ASP H H 36 8.330 8.330 8.739 -0.409 25411 16052 1 30 . 1 1 37 37 PHE N N 37 121.883 121.883 121.212 0.671 25411 16053 1 30 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.411 -0.153 25411 16054 1 30 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.801 -2.103 25411 16055 1 30 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.337 0.848 25411 16056 1 30 . 1 1 37 37 PHE H H 37 7.794 7.794 8.360 -0.566 25411 16057 1 30 . 1 1 38 38 VAL N N 38 118.525 118.525 119.285 -0.760 25411 16058 1 30 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.536 -0.497 25411 16059 1 30 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.355 0.527 25411 16060 1 30 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.401 -0.713 25411 16061 1 30 . 1 1 38 38 VAL H H 38 8.262 8.262 7.800 0.462 25411 16062 1 30 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.982 -0.526 25411 16063 1 30 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.358 -0.304 25411 16064 1 30 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.989 -0.293 25411 16065 1 30 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.515 -0.070 25411 16066 1 30 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.038 0.947 25411 16067 1 30 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.484 -0.792 25411 16068 1 30 . 1 1 41 41 ILE N N 41 120.641 120.641 119.425 1.216 25411 16069 1 30 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.837 0.188 25411 16070 1 30 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.350 -2.698 25411 16071 1 30 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.436 -0.372 25411 16072 1 30 . 1 1 41 41 ILE H H 41 8.788 8.788 8.127 0.661 25411 16073 1 30 . 1 1 42 42 CYS N N 42 117.896 117.896 116.471 1.425 25411 16074 1 30 . 1 1 42 42 CYS CA C 42 56.172 56.172 56.270 -0.098 25411 16075 1 30 . 1 1 42 42 CYS CB C 42 28.324 28.324 28.242 0.082 25411 16076 1 30 . 1 1 42 42 CYS H H 42 7.180 7.180 7.784 -0.604 25411 16077 1 30 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.279 0.036 25411 16078 1 30 . 1 1 43 43 PRO CA C 43 65.003 65.003 65.103 -0.100 25411 16079 1 30 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.710 -0.995 25411 16080 1 30 . 1 1 44 44 TRP N N 44 113.823 113.823 115.953 -2.130 25411 16081 1 30 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.333 -0.028 25411 16082 1 30 . 1 1 44 44 TRP CA C 44 55.398 55.398 56.959 -1.561 25411 16083 1 30 . 1 1 44 44 TRP CB C 44 27.811 27.811 28.987 -1.176 25411 16084 1 30 . 1 1 44 44 TRP H H 44 6.591 6.591 7.892 -1.301 25411 16085 1 30 . 1 1 45 45 PHE N N 45 123.100 123.100 115.953 7.147 25411 16086 1 30 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.027 -1.026 25411 16087 1 30 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.871 7.938 25411 16088 1 30 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.334 -3.399 25411 16089 1 30 . 1 1 45 45 PHE H H 45 7.239 7.239 7.181 0.058 25411 16090 1 30 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.250 -0.238 25411 16091 1 30 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.880 -0.349 25411 16092 1 30 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.510 -1.023 25411 16093 1 30 . 1 1 47 47 GLN N N 47 114.502 114.502 117.261 -2.759 25411 16094 1 30 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.121 -0.184 25411 16095 1 30 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.168 0.236 25411 16096 1 30 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.656 0.664 25411 16097 1 30 . 1 1 47 47 GLN H H 47 6.518 6.518 8.659 -2.141 25411 16098 1 30 . 1 1 48 48 GLU N N 48 117.358 117.358 118.613 -1.255 25411 16099 1 30 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.235 -0.197 25411 16100 1 30 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.599 1.573 25411 16101 1 30 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.163 -1.209 25411 16102 1 30 . 1 1 48 48 GLU H H 48 7.318 7.318 7.807 -0.489 25411 16103 1 30 . 1 1 49 49 GLY N N 49 105.534 105.534 108.055 -2.521 25411 16104 1 30 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.855 1.448 25411 16105 1 30 . 1 1 49 49 GLY H H 49 7.296 7.296 7.551 -0.255 25411 16106 1 30 . 1 1 50 50 THR N N 50 114.069 114.069 113.469 0.600 25411 16107 1 30 . 1 1 50 50 THR HA H 50 4.234 4.234 4.333 -0.099 25411 16108 1 30 . 1 1 50 50 THR CA C 50 61.683 61.683 61.442 0.241 25411 16109 1 30 . 1 1 50 50 THR CB C 50 70.718 70.718 70.328 0.390 25411 16110 1 30 . 1 1 50 50 THR H H 50 7.597 7.597 7.912 -0.315 25411 16111 1 30 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.497 -0.372 25411 16112 1 30 . 1 1 51 51 ILE CA C 51 59.870 59.870 60.788 -0.918 25411 16113 1 30 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.803 -4.515 25411 16114 1 30 . 1 1 52 52 ASP N N 52 121.791 121.791 121.114 0.677 25411 16115 1 30 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.769 -0.146 25411 16116 1 30 . 1 1 52 52 ASP CA C 52 51.732 51.732 53.278 -1.546 25411 16117 1 30 . 1 1 52 52 ASP CB C 52 42.461 42.461 43.525 -1.064 25411 16118 1 30 . 1 1 52 52 ASP H H 52 7.168 7.168 8.118 -0.950 25411 16119 1 30 . 1 1 53 53 ILE N N 53 119.537 119.537 118.328 1.209 25411 16120 1 30 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.431 -0.296 25411 16121 1 30 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.017 -0.221 25411 16122 1 30 . 1 1 53 53 ILE CB C 53 37.815 37.815 40.347 -2.533 25411 16123 1 30 . 1 1 53 53 ILE H H 53 8.336 8.336 8.271 0.065 25411 16124 1 30 . 1 1 54 54 LYS N N 54 123.592 123.592 121.672 1.920 25411 16125 1 30 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.252 -0.147 25411 16126 1 30 . 1 1 54 54 LYS CA C 54 59.972 59.972 59.369 0.603 25411 16127 1 30 . 1 1 54 54 LYS CB C 54 31.748 31.748 31.997 -0.249 25411 16128 1 30 . 1 1 54 54 LYS H H 54 8.104 8.104 7.935 0.169 25411 16129 1 30 . 1 1 55 55 ARG N N 55 120.511 120.511 119.629 0.882 25411 16130 1 30 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.036 0.265 25411 16131 1 30 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.404 0.499 25411 16132 1 30 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.138 -0.082 25411 16133 1 30 . 1 1 55 55 ARG H H 55 9.196 9.196 8.818 0.378 25411 16134 1 30 . 1 1 56 56 TRP N N 56 120.681 120.681 121.515 -0.834 25411 16135 1 30 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.676 0.027 25411 16136 1 30 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.705 -1.299 25411 16137 1 30 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.216 0.798 25411 16138 1 30 . 1 1 56 56 TRP H H 56 8.899 8.899 8.042 0.857 25411 16139 1 30 . 1 1 57 57 ARG N N 57 122.115 122.115 119.383 2.732 25411 16140 1 30 . 1 1 57 57 ARG HA H 57 4.407 4.407 4.151 0.256 25411 16141 1 30 . 1 1 57 57 ARG CA C 57 60.027 60.027 58.832 1.195 25411 16142 1 30 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.697 0.089 25411 16143 1 30 . 1 1 57 57 ARG H H 57 9.210 9.210 8.288 0.922 25411 16144 1 30 . 1 1 58 58 ARG N N 58 120.918 120.918 119.024 1.894 25411 16145 1 30 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.808 0.037 25411 16146 1 30 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.157 -0.428 25411 16147 1 30 . 1 1 58 58 ARG H H 58 7.640 7.640 7.682 -0.042 25411 16148 1 30 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.646 0.118 25411 16149 1 30 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.623 0.377 25411 16150 1 30 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.424 -0.592 25411 16151 1 30 . 1 1 59 59 VAL H H 59 7.916 7.916 7.589 0.327 25411 16152 1 30 . 1 1 60 60 GLY N N 60 106.856 106.856 107.203 -0.347 25411 16153 1 30 . 1 1 60 60 GLY CA C 60 46.081 46.081 46.993 -0.912 25411 16154 1 30 . 1 1 60 60 GLY H H 60 7.623 7.623 8.215 -0.592 25411 16155 1 30 . 1 1 61 61 ASP N N 61 123.308 123.308 123.361 -0.053 25411 16156 1 30 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.534 -0.309 25411 16157 1 30 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.851 -0.051 25411 16158 1 30 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.608 -1.124 25411 16159 1 30 . 1 1 61 61 ASP H H 61 8.203 8.203 7.863 0.340 25411 16160 1 30 . 1 1 62 62 CYS N N 62 120.841 120.841 118.556 2.285 25411 16161 1 30 . 1 1 62 62 CYS HA H 62 4.238 4.238 3.972 0.266 25411 16162 1 30 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.138 -1.188 25411 16163 1 30 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.698 -0.195 25411 16164 1 30 . 1 1 62 62 CYS H H 62 7.795 7.795 7.471 0.324 25411 16165 1 30 . 1 1 63 63 PHE N N 63 119.763 119.763 118.297 1.466 25411 16166 1 30 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.343 -0.065 25411 16167 1 30 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.409 -2.752 25411 16168 1 30 . 1 1 63 63 PHE CB C 63 36.990 36.990 37.924 -0.934 25411 16169 1 30 . 1 1 63 63 PHE H H 63 8.647 8.647 7.801 0.846 25411 16170 1 30 . 1 1 64 64 GLN N N 64 118.578 118.578 120.084 -1.506 25411 16171 1 30 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.081 0.227 25411 16172 1 30 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.800 0.533 25411 16173 1 30 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.196 0.383 25411 16174 1 30 . 1 1 64 64 GLN H H 64 8.261 8.261 8.384 -0.123 25411 16175 1 30 . 1 1 65 65 ASP N N 65 119.534 119.534 121.666 -2.132 25411 16176 1 30 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.324 0.160 25411 16177 1 30 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.227 0.102 25411 16178 1 30 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.938 -1.267 25411 16179 1 30 . 1 1 65 65 ASP H H 65 8.338 8.338 8.566 -0.228 25411 16180 1 30 . 1 1 66 66 TYR N N 66 123.600 123.600 122.068 1.532 25411 16181 1 30 . 1 1 66 66 TYR HA H 66 4.502 4.502 4.123 0.379 25411 16182 1 30 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.187 -0.956 25411 16183 1 30 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.572 -0.139 25411 16184 1 30 . 1 1 66 66 TYR H H 66 7.804 7.804 8.389 -0.585 25411 16185 1 30 . 1 1 67 67 TYR N N 67 122.825 122.825 119.085 3.740 25411 16186 1 30 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.894 0.103 25411 16187 1 30 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.597 0.306 25411 16188 1 30 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.476 0.470 25411 16189 1 30 . 1 1 67 67 TYR H H 67 9.100 9.100 8.531 0.569 25411 16190 1 30 . 1 1 68 68 ASN N N 68 118.826 118.826 117.023 1.803 25411 16191 1 30 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.198 0.085 25411 16192 1 30 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.538 -0.106 25411 16193 1 30 . 1 1 68 68 ASN CB C 68 37.876 37.876 37.986 -0.111 25411 16194 1 30 . 1 1 68 68 ASN H H 68 8.853 8.853 8.447 0.406 25411 16195 1 30 . 1 1 69 69 THR N N 69 114.242 114.242 113.996 0.246 25411 16196 1 30 . 1 1 69 69 THR HA H 69 3.837 3.837 3.849 -0.012 25411 16197 1 30 . 1 1 69 69 THR CA C 69 65.328 65.328 65.466 -0.138 25411 16198 1 30 . 1 1 69 69 THR CB C 69 69.249 69.249 68.463 0.786 25411 16199 1 30 . 1 1 69 69 THR H H 69 7.847 7.847 7.952 -0.105 25411 16200 1 30 . 1 1 70 70 PHE N N 70 117.970 117.970 118.100 -0.130 25411 16201 1 30 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.611 -0.047 25411 16202 1 30 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.946 0.296 25411 16203 1 30 . 1 1 70 70 PHE CB C 70 41.074 41.074 39.748 1.326 25411 16204 1 30 . 1 1 70 70 PHE H H 70 8.489 8.489 7.338 1.151 25411 16205 1 30 . 1 1 71 71 GLY N N 71 109.516 109.516 105.652 3.864 25411 16206 1 30 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.356 0.676 25411 16207 1 30 . 1 1 71 71 GLY H H 71 7.968 7.968 8.045 -0.077 25411 16208 1 30 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.445 0.266 25411 16209 1 30 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.606 0.691 25411 16210 1 30 . 1 1 72 72 PRO CB C 72 31.744 31.744 32.113 -0.369 25411 16211 1 30 . 1 1 73 73 GLU N N 73 117.720 117.720 124.950 -7.230 25411 16212 1 30 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.181 -0.282 25411 16213 1 30 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.726 0.010 25411 16214 1 30 . 1 1 73 73 GLU CB C 73 28.863 28.863 30.134 -1.271 25411 16215 1 30 . 1 1 73 73 GLU H H 73 8.586 8.586 8.845 -0.259 25411 16216 1 30 . 1 1 74 74 LYS N N 74 116.974 116.974 118.362 -1.388 25411 16217 1 30 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.484 -0.095 25411 16218 1 30 . 1 1 74 74 LYS CA C 74 55.185 55.185 56.480 -1.295 25411 16219 1 30 . 1 1 74 74 LYS CB C 74 34.087 34.087 32.920 1.167 25411 16220 1 30 . 1 1 74 74 LYS H H 74 7.505 7.505 8.343 -0.838 25411 16221 1 30 . 1 1 75 75 VAL N N 75 117.309 117.309 122.215 -4.906 25411 16222 1 30 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.436 -0.123 25411 16223 1 30 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.350 1.695 25411 16224 1 30 . 1 1 75 75 VAL CB C 75 31.984 31.984 33.377 -1.393 25411 16225 1 30 . 1 1 75 75 VAL H H 75 7.402 7.402 8.055 -0.653 25411 16226 1 30 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.688 -0.126 25411 16227 1 30 . 1 1 76 76 PRO CA C 76 61.687 61.687 63.111 -1.425 25411 16228 1 30 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.741 -1.010 25411 16229 1 30 . 1 1 77 77 VAL N N 77 120.870 120.870 123.982 -3.112 25411 16230 1 30 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.230 -0.402 25411 16231 1 30 . 1 1 77 77 VAL CA C 77 65.838 65.838 63.925 1.913 25411 16232 1 30 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.143 -0.756 25411 16233 1 30 . 1 1 77 77 VAL H H 77 8.473 8.473 8.705 -0.232 25411 16234 1 30 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.911 -0.059 25411 16235 1 30 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.172 -3.047 25411 16236 1 30 . 1 1 78 78 ILE CB C 78 37.135 37.135 37.048 0.086 25411 16237 1 30 . 1 1 78 78 ILE H H 78 8.388 8.388 8.192 0.196 25411 16238 1 30 . 1 1 79 79 ALA N N 79 123.960 123.960 123.860 0.100 25411 16239 1 30 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.081 -0.191 25411 16240 1 30 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.728 0.161 25411 16241 1 30 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.212 -0.589 25411 16242 1 30 . 1 1 79 79 ALA H H 79 7.953 7.953 7.696 0.257 25411 16243 1 30 . 1 1 80 80 PHE N N 80 114.330 114.330 114.234 0.096 25411 16244 1 30 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.541 -0.110 25411 16245 1 30 . 1 1 80 80 PHE CA C 80 61.312 61.312 60.008 1.304 25411 16246 1 30 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.362 -1.706 25411 16247 1 30 . 1 1 80 80 PHE H H 80 7.499 7.499 8.104 -0.605 25411 16248 1 30 . 1 1 81 81 SER N N 81 115.971 115.971 114.631 1.340 25411 16249 1 30 . 1 1 81 81 SER HA H 81 4.206 4.206 4.388 -0.182 25411 16250 1 30 . 1 1 81 81 SER CA C 81 58.432 58.432 59.583 -1.151 25411 16251 1 30 . 1 1 81 81 SER CB C 81 63.575 63.575 63.762 -0.187 25411 16252 1 30 . 1 1 81 81 SER H H 81 8.225 8.225 7.601 0.624 25411 16253 1 30 . 1 1 82 82 TYR N N 82 121.997 121.997 122.920 -0.923 25411 16254 1 30 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.385 0.062 25411 16255 1 30 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.808 -4.923 25411 16256 1 30 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.829 -0.991 25411 16257 1 30 . 1 1 82 82 TYR H H 82 8.378 8.378 7.643 0.735 25411 16258 1 30 . 1 1 83 83 TRP N N 83 120.268 120.268 121.448 -1.180 25411 16259 1 30 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.290 -4.897 25411 16260 1 30 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.962 -1.068 25411 16261 1 30 . 1 1 83 83 TRP H H 83 8.546 8.546 9.598 -1.052 25411 16262 1 30 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.327 -0.107 25411 16263 1 30 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.482 0.147 25411 16264 1 30 . 1 1 84 84 ASN CB C 84 39.065 39.065 38.044 1.021 25411 16265 1 30 . 1 1 85 85 LEU HA H 85 4.046 4.046 3.917 0.129 25411 16266 1 30 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.059 1.083 25411 16267 1 30 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.627 0.065 25411 16268 1 30 . 1 1 86 86 ILE N N 86 117.000 117.000 120.064 -3.064 25411 16269 1 30 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.396 0.050 25411 16270 1 30 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.356 -2.073 25411 16271 1 30 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.829 -1.417 25411 16272 1 30 . 1 1 86 86 ILE H H 86 7.882 7.882 7.465 0.417 25411 16273 1 30 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.655 -0.429 25411 16274 1 30 . 1 1 87 87 LYS CA C 87 59.996 59.996 58.892 1.104 25411 16275 1 30 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.495 -0.445 25411 16276 1 30 . 1 1 88 88 GLU N N 88 116.404 116.404 117.629 -1.225 25411 16277 1 30 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.335 -0.488 25411 16278 1 30 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.213 0.698 25411 16279 1 30 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.058 -0.089 25411 16280 1 30 . 1 1 88 88 GLU H H 88 7.689 7.689 7.627 0.062 25411 16281 1 30 . 1 1 89 89 LEU N N 89 118.193 118.193 121.520 -3.327 25411 16282 1 30 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.102 -0.213 25411 16283 1 30 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.787 1.176 25411 16284 1 30 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.068 -0.768 25411 16285 1 30 . 1 1 89 89 LEU H H 89 7.415 7.415 7.556 -0.141 25411 16286 1 30 . 1 1 90 90 ILE N N 90 115.471 115.471 119.930 -4.459 25411 16287 1 30 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.648 -0.230 25411 16288 1 30 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.014 0.894 25411 16289 1 30 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.629 -0.035 25411 16290 1 30 . 1 1 90 90 ILE H H 90 7.718 7.718 7.444 0.274 25411 16291 1 30 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.544 -0.824 25411 16292 1 30 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.845 0.819 25411 16293 1 30 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.190 0.342 25411 16294 1 30 . 1 1 92 92 LYS N N 92 119.253 119.253 118.996 0.257 25411 16295 1 30 . 1 1 92 92 LYS CA C 92 58.897 58.897 57.369 1.528 25411 16296 1 30 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.165 -0.177 25411 16297 1 30 . 1 1 92 92 LYS H H 92 7.869 7.869 7.583 0.286 25411 16298 1 30 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.940 0.591 25411 16299 1 30 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.693 -3.435 25411 16300 1 30 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.930 0.239 25411 16301 1 30 . 1 1 94 94 GLU N N 94 116.729 116.729 120.675 -3.946 25411 16302 1 30 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.079 0.054 25411 16303 1 30 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.000 0.319 25411 16304 1 30 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.253 -1.877 25411 16305 1 30 . 1 1 94 94 GLU H H 94 8.393 8.393 7.929 0.464 25411 16306 1 30 . 1 1 95 95 VAL N N 95 121.696 121.696 117.542 4.154 25411 16307 1 30 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.835 0.647 25411 16308 1 30 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.575 3.146 25411 16309 1 30 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.453 1.441 25411 16310 1 30 . 1 1 95 95 VAL H H 95 7.923 7.923 7.554 0.369 25411 16311 1 30 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.573 -0.215 25411 16312 1 30 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.372 0.235 25411 16313 1 30 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.706 -0.832 25411 16314 1 30 . 1 1 98 98 GLN N N 98 117.731 117.731 118.890 -1.159 25411 16315 1 30 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.078 -0.153 25411 16316 1 30 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.243 0.365 25411 16317 1 30 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.906 0.615 25411 16318 1 30 . 1 1 98 98 GLN H H 98 8.359 8.359 8.683 -0.324 25411 16319 1 30 . 1 1 99 99 VAL N N 99 121.326 121.326 116.319 5.007 25411 16320 1 30 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.816 -0.396 25411 16321 1 30 . 1 1 99 99 VAL CA C 99 66.404 66.404 64.990 1.414 25411 16322 1 30 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.445 0.174 25411 16323 1 30 . 1 1 99 99 VAL H H 99 7.901 7.901 8.176 -0.275 25411 16324 1 30 . 1 1 100 100 MET N N 100 120.447 120.447 116.380 4.067 25411 16325 1 30 . 1 1 100 100 MET HA H 100 3.812 3.812 4.378 -0.566 25411 16326 1 30 . 1 1 100 100 MET CA C 100 59.297 59.297 55.680 3.617 25411 16327 1 30 . 1 1 100 100 MET CB C 100 32.099 32.099 32.928 -0.829 25411 16328 1 30 . 1 1 100 100 MET H H 100 7.509 7.509 7.490 0.019 25411 16329 1 30 . 1 1 101 101 ALA N N 101 119.458 119.458 121.904 -2.446 25411 16330 1 30 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.176 0.034 25411 16331 1 30 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.775 -0.023 25411 16332 1 30 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.341 -0.820 25411 16333 1 30 . 1 1 101 101 ALA H H 101 7.889 7.889 7.657 0.232 25411 16334 1 30 . 1 1 102 102 ALA N N 102 119.627 119.627 120.883 -1.256 25411 16335 1 30 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.104 -0.111 25411 16336 1 30 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.499 0.389 25411 16337 1 30 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.325 -0.981 25411 16338 1 30 . 1 1 102 102 ALA H H 102 7.563 7.563 8.287 -0.724 25411 16339 1 30 . 1 1 103 103 VAL N N 103 122.690 122.690 118.385 4.305 25411 16340 1 30 . 1 1 103 103 VAL HA H 103 4.073 4.073 4.048 0.025 25411 16341 1 30 . 1 1 103 103 VAL CA C 103 61.685 61.685 64.768 -3.083 25411 16342 1 30 . 1 1 103 103 VAL CB C 103 33.222 33.222 32.155 1.067 25411 16343 1 30 . 1 1 103 103 VAL H H 103 8.828 8.828 7.947 0.881 25411 16344 1 30 . 1 1 104 104 ALA N N 104 128.041 128.041 120.197 7.844 25411 16345 1 30 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.361 -0.092 25411 16346 1 30 . 1 1 104 104 ALA CA C 104 52.141 52.141 53.559 -1.417 25411 16347 1 30 . 1 1 104 104 ALA CB C 104 18.940 18.940 17.616 1.324 25411 16348 1 30 . 1 1 104 104 ALA H H 104 8.367 8.367 7.480 0.887 25411 16349 1 30 . 1 1 105 105 GLN N N 105 120.265 120.265 115.762 4.503 25411 16350 1 30 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.336 0.595 25411 16351 1 30 . 1 1 105 105 GLN CB C 105 29.020 29.020 31.072 -2.052 25411 16352 1 30 . 1 1 105 105 GLN H H 105 8.356 8.356 7.620 0.736 25411 16353 1 30 . 1 1 106 106 THR HA H 106 4.320 4.320 4.052 0.268 25411 16354 1 30 . 1 1 106 106 THR CA C 106 61.346 61.346 64.773 -3.427 25411 16355 1 30 . 1 1 106 106 THR CB C 106 69.293 69.293 69.820 -0.527 25411 16356 1 30 . 1 1 107 107 GLU N N 107 122.706 122.706 117.322 5.384 25411 16357 1 30 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.028 0.154 25411 16358 1 30 . 1 1 107 107 GLU CA C 107 56.576 56.576 56.429 0.147 25411 16359 1 30 . 1 1 107 107 GLU CB C 107 29.936 29.936 29.951 -0.014 25411 16360 1 30 . 1 1 107 107 GLU H H 107 8.404 8.404 7.694 0.710 25411 16361 1 30 . 1 1 108 108 GLU N N 108 122.034 122.034 122.003 0.031 25411 16362 1 30 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.049 0.112 25411 16363 1 30 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.339 -0.690 25411 16364 1 30 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.846 -0.170 25411 16365 1 30 . 1 1 108 108 GLU H H 108 7.341 7.341 8.452 -1.111 25411 16366 1 30 . 1 1 109 109 ILE N N 109 122.151 122.151 119.377 2.774 25411 16367 1 30 . 1 1 109 109 ILE HA H 109 4.047 4.047 3.740 0.307 25411 16368 1 30 . 1 1 109 109 ILE CA C 109 61.565 61.565 61.778 -0.213 25411 16369 1 30 . 1 1 109 109 ILE CB C 109 38.104 38.104 36.617 1.487 25411 16370 1 30 . 1 1 109 109 ILE H H 109 8.058 8.058 8.352 -0.294 25411 16371 1 30 . 1 1 110 110 LEU N N 110 122.427 122.427 114.132 8.295 25411 16372 1 30 . 1 1 110 110 LEU HA H 110 4.276 4.276 3.853 0.423 25411 16373 1 30 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.865 -1.714 25411 16374 1 30 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.113 -7.858 25411 16375 1 30 . 1 1 110 110 LEU H H 110 8.194 8.194 8.402 -0.208 25411 16376 1 30 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.206 0.041 25411 16377 1 30 . 1 1 111 111 LYS CA C 111 56.137 56.137 58.654 -2.517 25411 16378 1 30 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.975 -0.406 25411 16379 1 30 . 1 1 112 112 SER N N 112 116.453 116.453 113.397 3.056 25411 16380 1 30 . 1 1 112 112 SER HA H 112 4.175 4.175 4.036 0.139 25411 16381 1 30 . 1 1 112 112 SER CA C 112 58.311 58.311 60.963 -2.652 25411 16382 1 30 . 1 1 112 112 SER CB C 112 63.441 63.441 62.691 0.750 25411 16383 1 30 . 1 1 112 112 SER H H 112 8.204 8.204 8.698 -0.494 25411 16384 1 30 . 1 1 113 113 ASN N N 113 119.747 119.747 115.322 4.425 25411 16385 1 30 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.753 -0.109 25411 16386 1 30 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.761 0.884 25411 16387 1 30 . 1 1 113 113 ASN CB C 113 38.646 38.646 38.923 -0.277 25411 16388 1 30 . 1 1 113 113 ASN H H 113 7.944 7.944 7.959 -0.015 25411 16389 1 30 . 1 1 114 114 SER N N 114 115.433 115.433 116.340 -0.907 25411 16390 1 30 . 1 1 114 114 SER HA H 114 4.336 4.336 4.369 -0.033 25411 16391 1 30 . 1 1 114 114 SER CA C 114 58.711 58.711 59.003 -0.292 25411 16392 1 30 . 1 1 114 114 SER CB C 114 63.308 63.308 61.245 2.063 25411 16393 1 30 . 1 1 114 114 SER H H 114 7.962 7.962 8.484 -0.522 25411 16394 1 30 . 1 1 115 115 GLN N N 115 121.682 121.682 120.010 1.672 25411 16395 1 30 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.636 -0.362 25411 16396 1 30 . 1 1 115 115 GLN CA C 115 56.193 56.193 54.859 1.334 25411 16397 1 30 . 1 1 115 115 GLN CB C 115 28.807 28.807 32.493 -3.686 25411 16398 1 30 . 1 1 115 115 GLN H H 115 8.207 8.207 8.003 0.204 25411 16399 1 30 . 1 1 116 116 THR N N 116 114.715 114.715 112.371 2.344 25411 16400 1 30 . 1 1 116 116 THR HA H 116 4.225 4.225 4.468 -0.243 25411 16401 1 30 . 1 1 116 116 THR CA C 116 62.109 62.109 60.446 1.663 25411 16402 1 30 . 1 1 116 116 THR CB C 116 69.336 69.336 69.873 -0.537 25411 16403 1 30 . 1 1 116 116 THR H H 116 8.062 8.062 8.143 -0.081 25411 16404 1 30 . 1 1 117 117 ASP N N 117 122.602 122.602 118.487 4.115 25411 16405 1 30 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.457 0.111 25411 16406 1 30 . 1 1 117 117 ASP CA C 117 54.204 54.204 55.514 -1.310 25411 16407 1 30 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.364 0.302 25411 16408 1 30 . 1 1 117 117 ASP H H 117 8.065 8.065 8.659 -0.594 25411 16409 1 30 . 1 1 118 118 LEU N N 118 122.140 122.140 120.868 1.272 25411 16410 1 30 . 1 1 118 118 LEU HA H 118 4.155 4.155 3.935 0.220 25411 16411 1 30 . 1 1 118 118 LEU CA C 118 55.423 55.423 55.445 -0.022 25411 16412 1 30 . 1 1 118 118 LEU CB C 118 41.873 41.873 39.711 2.162 25411 16413 1 30 . 1 1 118 118 LEU H H 118 8.085 8.085 7.647 0.438 25411 16414 1 30 . 1 1 119 119 GLU N N 119 119.672 119.672 118.736 0.936 25411 16415 1 30 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.213 -0.145 25411 16416 1 30 . 1 1 119 119 GLU CA C 119 56.565 56.565 56.373 0.192 25411 16417 1 30 . 1 1 119 119 GLU CB C 119 29.572 29.572 29.948 -0.376 25411 16418 1 30 . 1 1 119 119 GLU H H 119 8.143 8.143 8.225 -0.082 25411 16419 1 30 . 1 1 120 120 HIS N N 120 118.301 118.301 120.096 -1.795 25411 16420 1 30 . 1 1 120 120 HIS CA C 120 55.883 55.883 58.466 -2.583 25411 16421 1 30 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.343 -0.073 25411 16422 1 30 . 1 1 120 120 HIS H H 120 8.107 8.107 7.288 0.819 25411 16423 1 30 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.528 -0.520 25411 16424 1 30 . 1 1 121 121 HIS CA C 121 55.166 55.166 57.151 -1.985 25411 16425 1 30 . 1 1 121 121 HIS CB C 121 28.759 28.759 29.797 -1.038 25411 16426 1 30 . 1 1 122 122 HIS N N 122 122.407 122.407 118.010 4.397 25411 16427 1 30 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.653 -0.435 25411 16428 1 30 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.782 1.299 25411 16429 1 30 . 1 1 122 122 HIS CB C 122 29.371 29.371 31.164 -1.793 25411 16430 1 30 . 1 1 122 122 HIS H H 122 8.489 8.489 7.836 0.653 25411 16431 1 30 . 1 1 123 123 HIS N N 123 122.868 122.868 119.432 3.436 25411 16432 1 30 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.424 -0.037 25411 16433 1 30 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.601 -0.291 25411 16434 1 30 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.151 0.351 25411 16435 1 30 . 1 1 123 123 HIS H H 123 8.596 8.596 8.722 -0.126 25411 16436 1 30 . 1 1 124 124 HIS N N 124 123.734 123.734 124.455 -0.721 25411 16437 1 30 . 1 1 124 124 HIS HA H 124 4.557 4.557 5.153 -0.596 25411 16438 1 30 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.503 0.882 25411 16439 1 30 . 1 1 124 124 HIS CB C 124 29.358 29.358 29.316 0.042 25411 16440 1 30 . 1 1 124 124 HIS H H 124 8.255 8.255 8.205 0.050 25411 16441 1 31 . 1 1 3 3 GLN N N 3 122.360 122.360 120.314 2.046 25411 16442 1 31 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.334 -0.446 25411 16443 1 31 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.573 2.169 25411 16444 1 31 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.607 -0.224 25411 16445 1 31 . 1 1 3 3 GLN H H 3 9.398 9.398 8.560 0.838 25411 16446 1 31 . 1 1 4 4 GLU N N 4 119.689 119.689 120.549 -0.860 25411 16447 1 31 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.240 0.434 25411 16448 1 31 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.732 0.075 25411 16449 1 31 . 1 1 4 4 GLU CB C 4 28.700 28.700 29.023 -0.323 25411 16450 1 31 . 1 1 4 4 GLU H H 4 7.464 7.464 8.786 -1.322 25411 16451 1 31 . 1 1 5 5 LEU N N 5 114.872 114.872 121.654 -6.782 25411 16452 1 31 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.161 -0.460 25411 16453 1 31 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.318 -0.580 25411 16454 1 31 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.989 -1.174 25411 16455 1 31 . 1 1 5 5 LEU H H 5 8.206 8.206 7.742 0.464 25411 16456 1 31 . 1 1 6 6 SER N N 6 109.762 109.762 113.986 -4.224 25411 16457 1 31 . 1 1 6 6 SER HA H 6 4.092 4.092 4.157 -0.065 25411 16458 1 31 . 1 1 6 6 SER CA C 6 60.415 60.415 62.437 -2.022 25411 16459 1 31 . 1 1 6 6 SER CB C 6 63.391 63.391 62.744 0.647 25411 16460 1 31 . 1 1 6 6 SER H H 6 8.253 8.253 8.162 0.091 25411 16461 1 31 . 1 1 7 7 GLN N N 7 117.498 117.498 121.222 -3.724 25411 16462 1 31 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.209 -0.254 25411 16463 1 31 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.136 0.289 25411 16464 1 31 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.698 0.041 25411 16465 1 31 . 1 1 7 7 GLN H H 7 8.673 8.673 7.750 0.923 25411 16466 1 31 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.399 -0.602 25411 16467 1 31 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.611 -0.556 25411 16468 1 31 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.053 -0.944 25411 16469 1 31 . 1 1 9 9 GLU N N 9 120.354 120.354 119.663 0.691 25411 16470 1 31 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.374 -0.415 25411 16471 1 31 . 1 1 9 9 GLU CA C 9 60.258 60.258 58.611 1.647 25411 16472 1 31 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.378 -0.151 25411 16473 1 31 . 1 1 9 9 GLU H H 9 7.690 7.690 8.454 -0.764 25411 16474 1 31 . 1 1 10 10 ARG N N 10 118.753 118.753 120.190 -1.437 25411 16475 1 31 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.029 0.070 25411 16476 1 31 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.524 -1.303 25411 16477 1 31 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.123 -1.028 25411 16478 1 31 . 1 1 10 10 ARG H H 10 8.928 8.928 8.035 0.893 25411 16479 1 31 . 1 1 11 11 TYR N N 11 121.288 121.288 118.717 2.571 25411 16480 1 31 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.296 -0.107 25411 16481 1 31 . 1 1 11 11 TYR CA C 11 61.236 61.236 61.994 -0.758 25411 16482 1 31 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.196 -0.335 25411 16483 1 31 . 1 1 11 11 TYR H H 11 7.562 7.562 8.289 -0.727 25411 16484 1 31 . 1 1 12 12 VAL N N 12 119.304 119.304 119.996 -0.692 25411 16485 1 31 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.712 -0.629 25411 16486 1 31 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.537 0.298 25411 16487 1 31 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.719 -0.620 25411 16488 1 31 . 1 1 12 12 VAL H H 12 8.075 8.075 7.502 0.573 25411 16489 1 31 . 1 1 13 13 GLU N N 13 119.685 119.685 119.989 -0.304 25411 16490 1 31 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.012 0.143 25411 16491 1 31 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.517 -0.092 25411 16492 1 31 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.350 -0.162 25411 16493 1 31 . 1 1 13 13 GLU H H 13 8.278 8.278 7.943 0.335 25411 16494 1 31 . 1 1 14 14 GLN N N 14 119.682 119.682 120.018 -0.336 25411 16495 1 31 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.056 -0.400 25411 16496 1 31 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.915 1.054 25411 16497 1 31 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.304 1.369 25411 16498 1 31 . 1 1 14 14 GLN H H 14 7.653 7.653 8.177 -0.524 25411 16499 1 31 . 1 1 15 15 LEU N N 15 121.000 121.000 119.636 1.364 25411 16500 1 31 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.087 -0.166 25411 16501 1 31 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.563 0.892 25411 16502 1 31 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.217 -0.457 25411 16503 1 31 . 1 1 15 15 LEU H H 15 8.402 8.402 8.476 -0.074 25411 16504 1 31 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.869 -0.173 25411 16505 1 31 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.316 -0.058 25411 16506 1 31 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.277 -0.142 25411 16507 1 31 . 1 1 17 17 GLN N N 17 117.558 117.558 118.486 -0.928 25411 16508 1 31 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.070 -0.183 25411 16509 1 31 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.733 -0.291 25411 16510 1 31 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.736 -0.691 25411 16511 1 31 . 1 1 17 17 GLN H H 17 7.849 7.849 7.907 -0.058 25411 16512 1 31 . 1 1 18 18 ALA N N 18 120.288 120.288 123.050 -2.762 25411 16513 1 31 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.168 -0.380 25411 16514 1 31 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.875 0.018 25411 16515 1 31 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.642 -1.246 25411 16516 1 31 . 1 1 18 18 ALA H H 18 8.504 8.504 8.287 0.217 25411 16517 1 31 . 1 1 19 19 LEU N N 19 116.974 116.974 118.287 -1.313 25411 16518 1 31 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.071 -0.312 25411 16519 1 31 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.892 0.660 25411 16520 1 31 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.763 -1.069 25411 16521 1 31 . 1 1 19 19 LEU H H 19 8.143 8.143 8.467 -0.324 25411 16522 1 31 . 1 1 20 20 LYS N N 20 117.776 117.776 121.749 -3.973 25411 16523 1 31 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.061 -0.106 25411 16524 1 31 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.509 0.035 25411 16525 1 31 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.419 -1.933 25411 16526 1 31 . 1 1 20 20 LYS H H 20 8.340 8.340 8.158 0.182 25411 16527 1 31 . 1 1 21 21 THR N N 21 116.373 116.373 112.017 4.356 25411 16528 1 31 . 1 1 21 21 THR HA H 21 4.107 4.107 4.213 -0.106 25411 16529 1 31 . 1 1 21 21 THR CA C 21 64.611 64.611 64.623 -0.012 25411 16530 1 31 . 1 1 21 21 THR CB C 21 68.811 68.811 68.391 0.420 25411 16531 1 31 . 1 1 21 21 THR H H 21 7.302 7.302 7.886 -0.584 25411 16532 1 31 . 1 1 22 22 ARG N N 22 118.647 118.647 120.004 -1.357 25411 16533 1 31 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.542 -0.180 25411 16534 1 31 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.602 -1.537 25411 16535 1 31 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.362 -1.834 25411 16536 1 31 . 1 1 22 22 ARG H H 22 7.290 7.290 7.570 -0.280 25411 16537 1 31 . 1 1 23 23 GLY N N 23 108.637 108.637 106.694 1.943 25411 16538 1 31 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.160 0.952 25411 16539 1 31 . 1 1 23 23 GLY H H 23 7.881 7.881 7.611 0.270 25411 16540 1 31 . 1 1 24 24 VAL N N 24 117.390 117.390 122.390 -5.000 25411 16541 1 31 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.761 0.253 25411 16542 1 31 . 1 1 24 24 VAL CA C 24 61.668 61.668 62.984 -1.316 25411 16543 1 31 . 1 1 24 24 VAL CB C 24 32.372 32.372 29.160 3.212 25411 16544 1 31 . 1 1 24 24 VAL H H 24 7.333 7.333 7.503 -0.170 25411 16545 1 31 . 1 1 25 25 LYS N N 25 127.322 127.322 119.204 8.118 25411 16546 1 31 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.962 0.370 25411 16547 1 31 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.494 -1.732 25411 16548 1 31 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.771 -0.010 25411 16549 1 31 . 1 1 25 25 LYS H H 25 8.722 8.722 8.368 0.354 25411 16550 1 31 . 1 1 26 26 VAL N N 26 120.568 120.568 119.191 1.377 25411 16551 1 31 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.250 -0.172 25411 16552 1 31 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.818 -1.153 25411 16553 1 31 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.312 0.335 25411 16554 1 31 . 1 1 26 26 VAL H H 26 7.119 7.119 8.232 -1.113 25411 16555 1 31 . 1 1 27 27 LYS N N 27 125.675 125.675 128.220 -2.545 25411 16556 1 31 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.404 -0.078 25411 16557 1 31 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.270 0.141 25411 16558 1 31 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.821 -2.862 25411 16559 1 31 . 1 1 27 27 LYS H H 27 8.570 8.570 8.039 0.531 25411 16560 1 31 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.464 -0.447 25411 16561 1 31 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.747 -2.335 25411 16562 1 31 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.791 2.049 25411 16563 1 31 . 1 1 29 29 ALA N N 29 120.743 120.743 127.286 -6.543 25411 16564 1 31 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.153 -0.485 25411 16565 1 31 . 1 1 29 29 ALA CA C 29 54.678 54.678 54.719 -0.041 25411 16566 1 31 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.712 -0.712 25411 16567 1 31 . 1 1 29 29 ALA H H 29 8.323 8.323 8.783 -0.460 25411 16568 1 31 . 1 1 30 30 ASP N N 30 117.202 117.202 118.761 -1.559 25411 16569 1 31 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.499 -0.218 25411 16570 1 31 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.328 0.225 25411 16571 1 31 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.310 0.497 25411 16572 1 31 . 1 1 30 30 ASP H H 30 6.872 6.872 8.839 -1.967 25411 16573 1 31 . 1 1 31 31 LEU N N 31 122.273 122.273 118.585 3.688 25411 16574 1 31 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.334 -0.788 25411 16575 1 31 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.612 0.113 25411 16576 1 31 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.077 -1.419 25411 16577 1 31 . 1 1 31 31 LEU H H 31 7.433 7.433 7.633 -0.200 25411 16578 1 31 . 1 1 32 32 LEU N N 32 123.376 123.376 119.213 4.163 25411 16579 1 31 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.231 -0.616 25411 16580 1 31 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.933 0.163 25411 16581 1 31 . 1 1 32 32 LEU CB C 32 40.542 40.542 42.066 -1.524 25411 16582 1 31 . 1 1 32 32 LEU H H 32 8.727 8.727 7.949 0.778 25411 16583 1 31 . 1 1 33 33 LYS N N 33 118.078 118.078 120.225 -2.147 25411 16584 1 31 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.081 0.132 25411 16585 1 31 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.637 -0.539 25411 16586 1 31 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.115 -0.225 25411 16587 1 31 . 1 1 33 33 LYS H H 33 7.149 7.149 7.659 -0.510 25411 16588 1 31 . 1 1 34 34 PHE N N 34 117.398 117.398 120.348 -2.950 25411 16589 1 31 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.635 -4.940 25411 16590 1 31 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.030 2.189 25411 16591 1 31 . 1 1 34 34 PHE H H 34 7.633 7.633 8.356 -0.723 25411 16592 1 31 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.076 -0.283 25411 16593 1 31 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.230 -0.638 25411 16594 1 31 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.247 -2.233 25411 16595 1 31 . 1 1 36 36 ASP N N 36 120.136 120.136 119.454 0.682 25411 16596 1 31 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.451 -0.355 25411 16597 1 31 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.604 -0.663 25411 16598 1 31 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.551 -1.447 25411 16599 1 31 . 1 1 36 36 ASP H H 36 8.330 8.330 8.849 -0.519 25411 16600 1 31 . 1 1 37 37 PHE N N 37 121.883 121.883 120.710 1.173 25411 16601 1 31 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.298 -0.040 25411 16602 1 31 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.190 -1.492 25411 16603 1 31 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.337 0.849 25411 16604 1 31 . 1 1 37 37 PHE H H 37 7.794 7.794 8.251 -0.457 25411 16605 1 31 . 1 1 38 38 VAL N N 38 118.525 118.525 118.342 0.183 25411 16606 1 31 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.462 -0.423 25411 16607 1 31 . 1 1 38 38 VAL CA C 38 66.882 66.882 65.897 0.985 25411 16608 1 31 . 1 1 38 38 VAL CB C 38 30.688 30.688 30.875 -0.187 25411 16609 1 31 . 1 1 38 38 VAL H H 38 8.262 8.262 7.694 0.568 25411 16610 1 31 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.834 -0.378 25411 16611 1 31 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.259 -0.205 25411 16612 1 31 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.830 -0.134 25411 16613 1 31 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.338 0.107 25411 16614 1 31 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.395 0.590 25411 16615 1 31 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.130 -0.438 25411 16616 1 31 . 1 1 41 41 ILE N N 41 120.641 120.641 112.890 7.751 25411 16617 1 31 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.273 -0.248 25411 16618 1 31 . 1 1 41 41 ILE CA C 41 61.652 61.652 62.579 -0.927 25411 16619 1 31 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.346 -0.282 25411 16620 1 31 . 1 1 41 41 ILE H H 41 8.788 8.788 7.612 1.176 25411 16621 1 31 . 1 1 42 42 CYS N N 42 117.896 117.896 118.213 -0.317 25411 16622 1 31 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.767 0.405 25411 16623 1 31 . 1 1 42 42 CYS CB C 42 28.324 28.324 28.853 -0.529 25411 16624 1 31 . 1 1 42 42 CYS H H 42 7.180 7.180 7.429 -0.249 25411 16625 1 31 . 1 1 43 43 PRO HA H 43 4.315 4.315 3.995 0.320 25411 16626 1 31 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.439 0.564 25411 16627 1 31 . 1 1 43 43 PRO CB C 43 30.715 30.715 30.903 -0.188 25411 16628 1 31 . 1 1 44 44 TRP N N 44 113.823 113.823 116.809 -2.986 25411 16629 1 31 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.537 -0.232 25411 16630 1 31 . 1 1 44 44 TRP CA C 44 55.398 55.398 56.322 -0.924 25411 16631 1 31 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.130 -1.319 25411 16632 1 31 . 1 1 44 44 TRP H H 44 6.591 6.591 6.935 -0.344 25411 16633 1 31 . 1 1 45 45 PHE N N 45 123.100 123.100 114.002 9.098 25411 16634 1 31 . 1 1 45 45 PHE HA H 45 4.001 4.001 4.888 -0.887 25411 16635 1 31 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.970 7.839 25411 16636 1 31 . 1 1 45 45 PHE CB C 45 34.935 34.935 37.249 -2.314 25411 16637 1 31 . 1 1 45 45 PHE H H 45 7.239 7.239 7.426 -0.187 25411 16638 1 31 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.453 -0.441 25411 16639 1 31 . 1 1 46 46 PRO CA C 46 64.531 64.531 63.757 0.774 25411 16640 1 31 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.847 -1.360 25411 16641 1 31 . 1 1 47 47 GLN N N 47 114.502 114.502 117.685 -3.183 25411 16642 1 31 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.161 -0.224 25411 16643 1 31 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.051 0.353 25411 16644 1 31 . 1 1 47 47 GLN CB C 47 28.320 28.320 28.319 0.001 25411 16645 1 31 . 1 1 47 47 GLN H H 47 6.518 6.518 8.313 -1.795 25411 16646 1 31 . 1 1 48 48 GLU N N 48 117.358 117.358 118.921 -1.563 25411 16647 1 31 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.203 -0.165 25411 16648 1 31 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.756 1.416 25411 16649 1 31 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.090 -1.136 25411 16650 1 31 . 1 1 48 48 GLU H H 48 7.318 7.318 7.772 -0.454 25411 16651 1 31 . 1 1 49 49 GLY N N 49 105.534 105.534 108.390 -2.856 25411 16652 1 31 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.828 1.475 25411 16653 1 31 . 1 1 49 49 GLY H H 49 7.296 7.296 7.977 -0.681 25411 16654 1 31 . 1 1 50 50 THR N N 50 114.069 114.069 113.255 0.814 25411 16655 1 31 . 1 1 50 50 THR HA H 50 4.234 4.234 4.383 -0.149 25411 16656 1 31 . 1 1 50 50 THR CA C 50 61.683 61.683 60.663 1.020 25411 16657 1 31 . 1 1 50 50 THR CB C 50 70.718 70.718 70.682 0.036 25411 16658 1 31 . 1 1 50 50 THR H H 50 7.597 7.597 7.410 0.187 25411 16659 1 31 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.015 0.110 25411 16660 1 31 . 1 1 51 51 ILE CA C 51 59.870 59.870 62.045 -2.175 25411 16661 1 31 . 1 1 51 51 ILE CB C 51 35.288 35.288 38.947 -3.659 25411 16662 1 31 . 1 1 52 52 ASP N N 52 121.791 121.791 122.056 -0.265 25411 16663 1 31 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.802 -0.179 25411 16664 1 31 . 1 1 52 52 ASP CA C 52 51.732 51.732 53.055 -1.323 25411 16665 1 31 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.245 -1.784 25411 16666 1 31 . 1 1 52 52 ASP H H 52 7.168 7.168 8.079 -0.911 25411 16667 1 31 . 1 1 53 53 ILE N N 53 119.537 119.537 119.857 -0.320 25411 16668 1 31 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.531 -0.396 25411 16669 1 31 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.123 -0.327 25411 16670 1 31 . 1 1 53 53 ILE CB C 53 37.815 37.815 40.131 -2.316 25411 16671 1 31 . 1 1 53 53 ILE H H 53 8.336 8.336 8.346 -0.010 25411 16672 1 31 . 1 1 54 54 LYS N N 54 123.592 123.592 122.165 1.427 25411 16673 1 31 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.177 -0.072 25411 16674 1 31 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.327 -0.354 25411 16675 1 31 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.360 -0.612 25411 16676 1 31 . 1 1 54 54 LYS H H 54 8.104 8.104 8.476 -0.372 25411 16677 1 31 . 1 1 55 55 ARG N N 55 120.511 120.511 117.916 2.595 25411 16678 1 31 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.097 0.204 25411 16679 1 31 . 1 1 55 55 ARG CA C 55 59.903 59.903 58.984 0.919 25411 16680 1 31 . 1 1 55 55 ARG CB C 55 30.056 30.056 29.785 0.271 25411 16681 1 31 . 1 1 55 55 ARG H H 55 9.196 9.196 8.281 0.915 25411 16682 1 31 . 1 1 56 56 TRP N N 56 120.681 120.681 122.676 -1.995 25411 16683 1 31 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.331 0.372 25411 16684 1 31 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.350 -0.944 25411 16685 1 31 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.097 0.917 25411 16686 1 31 . 1 1 56 56 TRP H H 56 8.899 8.899 7.912 0.987 25411 16687 1 31 . 1 1 57 57 ARG N N 57 122.115 122.115 118.945 3.170 25411 16688 1 31 . 1 1 57 57 ARG HA H 57 4.407 4.407 2.875 1.532 25411 16689 1 31 . 1 1 57 57 ARG CA C 57 60.027 60.027 58.873 1.153 25411 16690 1 31 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.974 -0.188 25411 16691 1 31 . 1 1 57 57 ARG H H 57 9.210 9.210 8.107 1.103 25411 16692 1 31 . 1 1 58 58 ARG N N 58 120.918 120.918 118.488 2.430 25411 16693 1 31 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.667 0.178 25411 16694 1 31 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.139 -0.410 25411 16695 1 31 . 1 1 58 58 ARG H H 58 7.640 7.640 7.638 0.002 25411 16696 1 31 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.765 -0.001 25411 16697 1 31 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.920 0.080 25411 16698 1 31 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.402 -0.570 25411 16699 1 31 . 1 1 59 59 VAL H H 59 7.916 7.916 7.484 0.432 25411 16700 1 31 . 1 1 60 60 GLY N N 60 106.856 106.856 106.956 -0.100 25411 16701 1 31 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.023 -0.942 25411 16702 1 31 . 1 1 60 60 GLY H H 60 7.623 7.623 8.182 -0.559 25411 16703 1 31 . 1 1 61 61 ASP N N 61 123.308 123.308 121.984 1.324 25411 16704 1 31 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.499 -0.274 25411 16705 1 31 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.650 0.150 25411 16706 1 31 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.558 -1.074 25411 16707 1 31 . 1 1 61 61 ASP H H 61 8.203 8.203 7.526 0.677 25411 16708 1 31 . 1 1 62 62 CYS N N 62 120.841 120.841 118.263 2.578 25411 16709 1 31 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.154 0.084 25411 16710 1 31 . 1 1 62 62 CYS CA C 62 62.950 62.950 63.801 -0.851 25411 16711 1 31 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.557 -0.054 25411 16712 1 31 . 1 1 62 62 CYS H H 62 7.795 7.795 7.671 0.124 25411 16713 1 31 . 1 1 63 63 PHE N N 63 119.763 119.763 120.400 -0.637 25411 16714 1 31 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.331 -0.053 25411 16715 1 31 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.563 -2.906 25411 16716 1 31 . 1 1 63 63 PHE CB C 63 36.990 36.990 39.239 -2.249 25411 16717 1 31 . 1 1 63 63 PHE H H 63 8.647 8.647 8.233 0.414 25411 16718 1 31 . 1 1 64 64 GLN N N 64 118.578 118.578 119.714 -1.136 25411 16719 1 31 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.150 0.158 25411 16720 1 31 . 1 1 64 64 GLN CA C 64 59.333 59.333 59.167 0.166 25411 16721 1 31 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.443 0.136 25411 16722 1 31 . 1 1 64 64 GLN H H 64 8.261 8.261 8.330 -0.069 25411 16723 1 31 . 1 1 65 65 ASP N N 65 119.534 119.534 122.202 -2.668 25411 16724 1 31 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.402 0.082 25411 16725 1 31 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.456 -0.128 25411 16726 1 31 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.976 -1.305 25411 16727 1 31 . 1 1 65 65 ASP H H 65 8.338 8.338 8.457 -0.119 25411 16728 1 31 . 1 1 66 66 TYR N N 66 123.600 123.600 121.986 1.614 25411 16729 1 31 . 1 1 66 66 TYR HA H 66 4.502 4.502 4.018 0.484 25411 16730 1 31 . 1 1 66 66 TYR CA C 66 61.231 61.231 61.970 -0.739 25411 16731 1 31 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.362 0.071 25411 16732 1 31 . 1 1 66 66 TYR H H 66 7.804 7.804 8.350 -0.546 25411 16733 1 31 . 1 1 67 67 TYR N N 67 122.825 122.825 118.128 4.697 25411 16734 1 31 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.681 0.316 25411 16735 1 31 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.746 0.157 25411 16736 1 31 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.477 0.469 25411 16737 1 31 . 1 1 67 67 TYR H H 67 9.100 9.100 8.274 0.826 25411 16738 1 31 . 1 1 68 68 ASN N N 68 118.826 118.826 116.603 2.223 25411 16739 1 31 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.548 -0.265 25411 16740 1 31 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.549 -0.117 25411 16741 1 31 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.062 -0.187 25411 16742 1 31 . 1 1 68 68 ASN H H 68 8.853 8.853 8.544 0.309 25411 16743 1 31 . 1 1 69 69 THR N N 69 114.242 114.242 114.360 -0.118 25411 16744 1 31 . 1 1 69 69 THR HA H 69 3.837 3.837 4.150 -0.313 25411 16745 1 31 . 1 1 69 69 THR CA C 69 65.328 65.328 64.421 0.907 25411 16746 1 31 . 1 1 69 69 THR CB C 69 69.249 69.249 68.496 0.753 25411 16747 1 31 . 1 1 69 69 THR H H 69 7.847 7.847 8.176 -0.329 25411 16748 1 31 . 1 1 70 70 PHE N N 70 117.970 117.970 120.383 -2.413 25411 16749 1 31 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.108 0.456 25411 16750 1 31 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.561 -0.319 25411 16751 1 31 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.928 2.146 25411 16752 1 31 . 1 1 70 70 PHE H H 70 8.489 8.489 7.424 1.065 25411 16753 1 31 . 1 1 71 71 GLY N N 71 109.516 109.516 106.477 3.039 25411 16754 1 31 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.859 0.173 25411 16755 1 31 . 1 1 71 71 GLY H H 71 7.968 7.968 7.565 0.403 25411 16756 1 31 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.801 -0.090 25411 16757 1 31 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.309 0.988 25411 16758 1 31 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.010 0.734 25411 16759 1 31 . 1 1 73 73 GLU N N 73 117.720 117.720 124.126 -6.406 25411 16760 1 31 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.140 -0.241 25411 16761 1 31 . 1 1 73 73 GLU CA C 73 58.736 58.736 57.418 1.318 25411 16762 1 31 . 1 1 73 73 GLU CB C 73 28.863 28.863 30.175 -1.312 25411 16763 1 31 . 1 1 73 73 GLU H H 73 8.586 8.586 8.236 0.350 25411 16764 1 31 . 1 1 74 74 LYS N N 74 116.974 116.974 119.360 -2.386 25411 16765 1 31 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.210 0.179 25411 16766 1 31 . 1 1 74 74 LYS CA C 74 55.185 55.185 57.721 -2.536 25411 16767 1 31 . 1 1 74 74 LYS CB C 74 34.087 34.087 32.816 1.271 25411 16768 1 31 . 1 1 74 74 LYS H H 74 7.505 7.505 8.355 -0.850 25411 16769 1 31 . 1 1 75 75 VAL N N 75 117.309 117.309 119.108 -1.799 25411 16770 1 31 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.478 -0.165 25411 16771 1 31 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.062 1.983 25411 16772 1 31 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.610 -0.626 25411 16773 1 31 . 1 1 75 75 VAL H H 75 7.402 7.402 7.842 -0.440 25411 16774 1 31 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.641 -0.079 25411 16775 1 31 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.553 -0.866 25411 16776 1 31 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.555 -0.824 25411 16777 1 31 . 1 1 77 77 VAL N N 77 120.870 120.870 121.191 -0.321 25411 16778 1 31 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.158 -0.330 25411 16779 1 31 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.062 1.776 25411 16780 1 31 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.957 -0.570 25411 16781 1 31 . 1 1 77 77 VAL H H 77 8.473 8.473 8.811 -0.338 25411 16782 1 31 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.894 -0.042 25411 16783 1 31 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.080 -2.955 25411 16784 1 31 . 1 1 78 78 ILE CB C 78 37.135 37.135 37.053 0.082 25411 16785 1 31 . 1 1 78 78 ILE H H 78 8.388 8.388 8.032 0.356 25411 16786 1 31 . 1 1 79 79 ALA N N 79 123.960 123.960 122.861 1.099 25411 16787 1 31 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.065 -0.175 25411 16788 1 31 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.324 0.565 25411 16789 1 31 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.269 -0.646 25411 16790 1 31 . 1 1 79 79 ALA H H 79 7.953 7.953 7.814 0.139 25411 16791 1 31 . 1 1 80 80 PHE N N 80 114.330 114.330 114.341 -0.011 25411 16792 1 31 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.588 -0.157 25411 16793 1 31 . 1 1 80 80 PHE CA C 80 61.312 61.312 60.056 1.256 25411 16794 1 31 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.437 -1.781 25411 16795 1 31 . 1 1 80 80 PHE H H 80 7.499 7.499 8.059 -0.560 25411 16796 1 31 . 1 1 81 81 SER N N 81 115.971 115.971 115.055 0.916 25411 16797 1 31 . 1 1 81 81 SER HA H 81 4.206 4.206 4.469 -0.263 25411 16798 1 31 . 1 1 81 81 SER CA C 81 58.432 58.432 58.950 -0.518 25411 16799 1 31 . 1 1 81 81 SER CB C 81 63.575 63.575 63.769 -0.194 25411 16800 1 31 . 1 1 81 81 SER H H 81 8.225 8.225 7.872 0.353 25411 16801 1 31 . 1 1 82 82 TYR N N 82 121.997 121.997 123.009 -1.012 25411 16802 1 31 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.433 0.014 25411 16803 1 31 . 1 1 82 82 TYR CA C 82 55.885 55.885 57.788 -1.903 25411 16804 1 31 . 1 1 82 82 TYR CB C 82 37.838 37.838 37.245 0.593 25411 16805 1 31 . 1 1 82 82 TYR H H 82 8.378 8.378 7.791 0.587 25411 16806 1 31 . 1 1 83 83 TRP N N 83 120.268 120.268 122.333 -2.065 25411 16807 1 31 . 1 1 83 83 TRP CA C 83 57.393 57.393 61.888 -4.495 25411 16808 1 31 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.171 -0.277 25411 16809 1 31 . 1 1 83 83 TRP H H 83 8.546 8.546 8.785 -0.239 25411 16810 1 31 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.071 0.149 25411 16811 1 31 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.242 0.387 25411 16812 1 31 . 1 1 84 84 ASN CB C 84 39.065 39.065 38.043 1.022 25411 16813 1 31 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.278 -0.232 25411 16814 1 31 . 1 1 85 85 LEU CA C 85 58.142 58.142 56.709 1.433 25411 16815 1 31 . 1 1 85 85 LEU CB C 85 41.692 41.692 42.100 -0.408 25411 16816 1 31 . 1 1 86 86 ILE N N 86 117.000 117.000 119.849 -2.849 25411 16817 1 31 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.401 0.045 25411 16818 1 31 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.617 -2.334 25411 16819 1 31 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.093 -1.681 25411 16820 1 31 . 1 1 86 86 ILE H H 86 7.882 7.882 7.567 0.315 25411 16821 1 31 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.761 -0.535 25411 16822 1 31 . 1 1 87 87 LYS CA C 87 59.996 59.996 58.867 1.129 25411 16823 1 31 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.485 -0.435 25411 16824 1 31 . 1 1 88 88 GLU N N 88 116.404 116.404 117.175 -0.771 25411 16825 1 31 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.325 -0.478 25411 16826 1 31 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.043 0.868 25411 16827 1 31 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.114 -0.145 25411 16828 1 31 . 1 1 88 88 GLU H H 88 7.689 7.689 7.583 0.106 25411 16829 1 31 . 1 1 89 89 LEU N N 89 118.193 118.193 120.629 -2.436 25411 16830 1 31 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.110 -0.221 25411 16831 1 31 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.480 1.483 25411 16832 1 31 . 1 1 89 89 LEU CB C 89 41.300 41.300 41.947 -0.647 25411 16833 1 31 . 1 1 89 89 LEU H H 89 7.415 7.415 7.476 -0.061 25411 16834 1 31 . 1 1 90 90 ILE N N 90 115.471 115.471 120.081 -4.610 25411 16835 1 31 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.646 -0.228 25411 16836 1 31 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.069 0.840 25411 16837 1 31 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.624 -0.030 25411 16838 1 31 . 1 1 90 90 ILE H H 90 7.718 7.718 7.438 0.280 25411 16839 1 31 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.524 -0.804 25411 16840 1 31 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.762 0.902 25411 16841 1 31 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.227 0.305 25411 16842 1 31 . 1 1 92 92 LYS N N 92 119.253 119.253 118.688 0.565 25411 16843 1 31 . 1 1 92 92 LYS CA C 92 58.897 58.897 57.045 1.852 25411 16844 1 31 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.097 -0.109 25411 16845 1 31 . 1 1 92 92 LYS H H 92 7.869 7.869 7.565 0.304 25411 16846 1 31 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.017 0.514 25411 16847 1 31 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.364 -3.106 25411 16848 1 31 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.053 0.116 25411 16849 1 31 . 1 1 94 94 GLU N N 94 116.729 116.729 120.553 -3.824 25411 16850 1 31 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.071 0.062 25411 16851 1 31 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.033 0.286 25411 16852 1 31 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.215 -1.840 25411 16853 1 31 . 1 1 94 94 GLU H H 94 8.393 8.393 8.044 0.349 25411 16854 1 31 . 1 1 95 95 VAL N N 95 121.696 121.696 117.515 4.181 25411 16855 1 31 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.825 0.657 25411 16856 1 31 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.496 3.225 25411 16857 1 31 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.416 1.478 25411 16858 1 31 . 1 1 95 95 VAL H H 95 7.923 7.923 7.533 0.390 25411 16859 1 31 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.768 -0.410 25411 16860 1 31 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.299 0.308 25411 16861 1 31 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.828 -0.954 25411 16862 1 31 . 1 1 98 98 GLN N N 98 117.731 117.731 118.818 -1.087 25411 16863 1 31 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.085 -0.160 25411 16864 1 31 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.210 0.398 25411 16865 1 31 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.918 0.603 25411 16866 1 31 . 1 1 98 98 GLN H H 98 8.359 8.359 8.427 -0.068 25411 16867 1 31 . 1 1 99 99 VAL N N 99 121.326 121.326 118.082 3.244 25411 16868 1 31 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.755 -0.335 25411 16869 1 31 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.952 0.452 25411 16870 1 31 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.459 0.160 25411 16871 1 31 . 1 1 99 99 VAL H H 99 7.901 7.901 8.245 -0.344 25411 16872 1 31 . 1 1 100 100 MET N N 100 120.447 120.447 116.246 4.201 25411 16873 1 31 . 1 1 100 100 MET HA H 100 3.812 3.812 4.207 -0.395 25411 16874 1 31 . 1 1 100 100 MET CA C 100 59.297 59.297 58.258 1.039 25411 16875 1 31 . 1 1 100 100 MET CB C 100 32.099 32.099 33.170 -1.071 25411 16876 1 31 . 1 1 100 100 MET H H 100 7.509 7.509 7.442 0.067 25411 16877 1 31 . 1 1 101 101 ALA N N 101 119.458 119.458 121.890 -2.432 25411 16878 1 31 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.183 0.027 25411 16879 1 31 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.707 0.045 25411 16880 1 31 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.307 -0.786 25411 16881 1 31 . 1 1 101 101 ALA H H 101 7.889 7.889 7.621 0.268 25411 16882 1 31 . 1 1 102 102 ALA N N 102 119.627 119.627 121.183 -1.556 25411 16883 1 31 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.108 -0.115 25411 16884 1 31 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.578 0.310 25411 16885 1 31 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.385 -1.041 25411 16886 1 31 . 1 1 102 102 ALA H H 102 7.563 7.563 8.305 -0.742 25411 16887 1 31 . 1 1 103 103 VAL N N 103 122.690 122.690 117.631 5.059 25411 16888 1 31 . 1 1 103 103 VAL HA H 103 4.073 4.073 4.012 0.061 25411 16889 1 31 . 1 1 103 103 VAL CA C 103 61.685 61.685 64.545 -2.860 25411 16890 1 31 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.953 1.269 25411 16891 1 31 . 1 1 103 103 VAL H H 103 8.828 8.828 7.710 1.118 25411 16892 1 31 . 1 1 104 104 ALA N N 104 128.041 128.041 119.937 8.104 25411 16893 1 31 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.267 0.002 25411 16894 1 31 . 1 1 104 104 ALA CA C 104 52.141 52.141 53.521 -1.380 25411 16895 1 31 . 1 1 104 104 ALA CB C 104 18.940 18.940 17.922 1.018 25411 16896 1 31 . 1 1 104 104 ALA H H 104 8.367 8.367 7.522 0.845 25411 16897 1 31 . 1 1 105 105 GLN N N 105 120.265 120.265 116.077 4.188 25411 16898 1 31 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.620 0.311 25411 16899 1 31 . 1 1 105 105 GLN CB C 105 29.020 29.020 30.916 -1.896 25411 16900 1 31 . 1 1 105 105 GLN H H 105 8.356 8.356 7.545 0.811 25411 16901 1 31 . 1 1 106 106 THR HA H 106 4.320 4.320 4.091 0.229 25411 16902 1 31 . 1 1 106 106 THR CA C 106 61.346 61.346 64.264 -2.918 25411 16903 1 31 . 1 1 106 106 THR CB C 106 69.293 69.293 69.536 -0.243 25411 16904 1 31 . 1 1 107 107 GLU N N 107 122.706 122.706 117.516 5.190 25411 16905 1 31 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.016 0.166 25411 16906 1 31 . 1 1 107 107 GLU CA C 107 56.576 56.576 56.881 -0.305 25411 16907 1 31 . 1 1 107 107 GLU CB C 107 29.936 29.936 29.072 0.864 25411 16908 1 31 . 1 1 107 107 GLU H H 107 8.404 8.404 7.761 0.643 25411 16909 1 31 . 1 1 108 108 GLU N N 108 122.034 122.034 122.096 -0.062 25411 16910 1 31 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.057 0.104 25411 16911 1 31 . 1 1 108 108 GLU CA C 108 56.649 56.649 58.550 -1.901 25411 16912 1 31 . 1 1 108 108 GLU CB C 108 29.676 29.676 30.118 -0.442 25411 16913 1 31 . 1 1 108 108 GLU H H 108 7.341 7.341 8.529 -1.188 25411 16914 1 31 . 1 1 109 109 ILE N N 109 122.151 122.151 119.307 2.844 25411 16915 1 31 . 1 1 109 109 ILE HA H 109 4.047 4.047 3.796 0.251 25411 16916 1 31 . 1 1 109 109 ILE CA C 109 61.565 61.565 61.893 -0.328 25411 16917 1 31 . 1 1 109 109 ILE CB C 109 38.104 38.104 36.712 1.391 25411 16918 1 31 . 1 1 109 109 ILE H H 109 8.058 8.058 8.155 -0.097 25411 16919 1 31 . 1 1 110 110 LEU N N 110 122.427 122.427 115.389 7.038 25411 16920 1 31 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.054 0.222 25411 16921 1 31 . 1 1 110 110 LEU CA C 110 55.151 55.151 55.531 -0.380 25411 16922 1 31 . 1 1 110 110 LEU CB C 110 32.255 32.255 39.166 -6.911 25411 16923 1 31 . 1 1 110 110 LEU H H 110 8.194 8.194 7.817 0.377 25411 16924 1 31 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.358 -0.111 25411 16925 1 31 . 1 1 111 111 LYS CA C 111 56.137 56.137 54.580 1.557 25411 16926 1 31 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.279 0.290 25411 16927 1 31 . 1 1 112 112 SER N N 112 116.453 116.453 120.740 -4.287 25411 16928 1 31 . 1 1 112 112 SER HA H 112 4.175 4.175 4.239 -0.064 25411 16929 1 31 . 1 1 112 112 SER CA C 112 58.311 58.311 61.334 -3.023 25411 16930 1 31 . 1 1 112 112 SER CB C 112 63.441 63.441 63.762 -0.321 25411 16931 1 31 . 1 1 112 112 SER H H 112 8.204 8.204 8.467 -0.263 25411 16932 1 31 . 1 1 113 113 ASN N N 113 119.747 119.747 114.197 5.550 25411 16933 1 31 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.846 -0.202 25411 16934 1 31 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.499 1.145 25411 16935 1 31 . 1 1 113 113 ASN CB C 113 38.646 38.646 39.290 -0.644 25411 16936 1 31 . 1 1 113 113 ASN H H 113 7.944 7.944 7.478 0.466 25411 16937 1 31 . 1 1 114 114 SER N N 114 115.433 115.433 113.331 2.102 25411 16938 1 31 . 1 1 114 114 SER HA H 114 4.336 4.336 4.251 0.085 25411 16939 1 31 . 1 1 114 114 SER CA C 114 58.711 58.711 59.984 -1.273 25411 16940 1 31 . 1 1 114 114 SER CB C 114 63.308 63.308 62.769 0.539 25411 16941 1 31 . 1 1 114 114 SER H H 114 7.962 7.962 8.709 -0.747 25411 16942 1 31 . 1 1 115 115 GLN N N 115 121.682 121.682 120.229 1.453 25411 16943 1 31 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.315 -0.041 25411 16944 1 31 . 1 1 115 115 GLN CA C 115 56.193 56.193 57.806 -1.613 25411 16945 1 31 . 1 1 115 115 GLN CB C 115 28.807 28.807 29.740 -0.933 25411 16946 1 31 . 1 1 115 115 GLN H H 115 8.207 8.207 7.983 0.224 25411 16947 1 31 . 1 1 116 116 THR N N 116 114.715 114.715 109.031 5.684 25411 16948 1 31 . 1 1 116 116 THR HA H 116 4.225 4.225 4.321 -0.096 25411 16949 1 31 . 1 1 116 116 THR CA C 116 62.109 62.109 61.282 0.827 25411 16950 1 31 . 1 1 116 116 THR CB C 116 69.336 69.336 69.337 -0.001 25411 16951 1 31 . 1 1 116 116 THR H H 116 8.062 8.062 7.462 0.600 25411 16952 1 31 . 1 1 117 117 ASP N N 117 122.602 122.602 120.529 2.073 25411 16953 1 31 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.429 0.139 25411 16954 1 31 . 1 1 117 117 ASP CA C 117 54.204 54.204 54.990 -0.786 25411 16955 1 31 . 1 1 117 117 ASP CB C 117 40.665 40.665 39.887 0.778 25411 16956 1 31 . 1 1 117 117 ASP H H 117 8.065 8.065 8.663 -0.598 25411 16957 1 31 . 1 1 118 118 LEU N N 118 122.140 122.140 121.004 1.136 25411 16958 1 31 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.044 0.111 25411 16959 1 31 . 1 1 118 118 LEU CA C 118 55.423 55.423 53.525 1.898 25411 16960 1 31 . 1 1 118 118 LEU CB C 118 41.873 41.873 39.728 2.145 25411 16961 1 31 . 1 1 118 118 LEU H H 118 8.085 8.085 7.470 0.615 25411 16962 1 31 . 1 1 119 119 GLU N N 119 119.672 119.672 121.175 -1.503 25411 16963 1 31 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.651 0.417 25411 16964 1 31 . 1 1 119 119 GLU CA C 119 56.565 56.565 56.502 0.063 25411 16965 1 31 . 1 1 119 119 GLU CB C 119 29.572 29.572 28.642 0.930 25411 16966 1 31 . 1 1 119 119 GLU H H 119 8.143 8.143 8.018 0.125 25411 16967 1 31 . 1 1 120 120 HIS N N 120 118.301 118.301 120.337 -2.036 25411 16968 1 31 . 1 1 120 120 HIS CA C 120 55.883 55.883 55.693 0.190 25411 16969 1 31 . 1 1 120 120 HIS CB C 120 29.270 29.270 31.054 -1.784 25411 16970 1 31 . 1 1 120 120 HIS H H 120 8.107 8.107 8.205 -0.098 25411 16971 1 31 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.852 -0.844 25411 16972 1 31 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.586 -0.420 25411 16973 1 31 . 1 1 121 121 HIS CB C 121 28.759 28.759 30.284 -1.525 25411 16974 1 31 . 1 1 122 122 HIS N N 122 122.407 122.407 116.400 6.007 25411 16975 1 31 . 1 1 122 122 HIS HA H 122 4.218 4.218 5.014 -0.796 25411 16976 1 31 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.360 1.721 25411 16977 1 31 . 1 1 122 122 HIS CB C 122 29.371 29.371 32.408 -3.037 25411 16978 1 31 . 1 1 122 122 HIS H H 122 8.489 8.489 8.187 0.302 25411 16979 1 31 . 1 1 123 123 HIS N N 123 122.868 122.868 121.969 0.899 25411 16980 1 31 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.387 -0.000 25411 16981 1 31 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.347 -0.037 25411 16982 1 31 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.856 -0.354 25411 16983 1 31 . 1 1 123 123 HIS H H 123 8.596 8.596 8.918 -0.322 25411 16984 1 31 . 1 1 124 124 HIS N N 124 123.734 123.734 124.325 -0.591 25411 16985 1 31 . 1 1 124 124 HIS HA H 124 4.557 4.557 5.046 -0.489 25411 16986 1 31 . 1 1 124 124 HIS CA C 124 55.385 55.385 53.947 1.438 25411 16987 1 31 . 1 1 124 124 HIS CB C 124 29.358 29.358 29.130 0.228 25411 16988 1 31 . 1 1 124 124 HIS H H 124 8.255 8.255 8.296 -0.041 25411 16989 1 32 . 1 1 3 3 GLN N N 3 122.360 122.360 120.225 2.135 25411 16990 1 32 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.407 -0.519 25411 16991 1 32 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.678 2.064 25411 16992 1 32 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.930 -0.548 25411 16993 1 32 . 1 1 3 3 GLN H H 3 9.398 9.398 8.456 0.942 25411 16994 1 32 . 1 1 4 4 GLU N N 4 119.689 119.689 119.984 -0.295 25411 16995 1 32 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.174 0.500 25411 16996 1 32 . 1 1 4 4 GLU CA C 4 57.807 57.807 58.219 -0.412 25411 16997 1 32 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.942 -0.242 25411 16998 1 32 . 1 1 4 4 GLU H H 4 7.464 7.464 8.863 -1.399 25411 16999 1 32 . 1 1 5 5 LEU N N 5 114.872 114.872 122.076 -7.204 25411 17000 1 32 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.151 -0.450 25411 17001 1 32 . 1 1 5 5 LEU CA C 5 57.738 57.738 57.904 -0.166 25411 17002 1 32 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.990 -1.175 25411 17003 1 32 . 1 1 5 5 LEU H H 5 8.206 8.206 7.616 0.590 25411 17004 1 32 . 1 1 6 6 SER N N 6 109.762 109.762 113.533 -3.771 25411 17005 1 32 . 1 1 6 6 SER HA H 6 4.092 4.092 4.131 -0.039 25411 17006 1 32 . 1 1 6 6 SER CA C 6 60.415 60.415 62.063 -1.648 25411 17007 1 32 . 1 1 6 6 SER CB C 6 63.391 63.391 62.488 0.903 25411 17008 1 32 . 1 1 6 6 SER H H 6 8.253 8.253 8.334 -0.081 25411 17009 1 32 . 1 1 7 7 GLN N N 7 117.498 117.498 122.801 -5.303 25411 17010 1 32 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.127 -0.172 25411 17011 1 32 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.386 0.039 25411 17012 1 32 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.746 -0.007 25411 17013 1 32 . 1 1 7 7 GLN H H 7 8.673 8.673 7.818 0.855 25411 17014 1 32 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.131 -0.334 25411 17015 1 32 . 1 1 8 8 HIS CA C 8 59.055 59.055 60.149 -1.094 25411 17016 1 32 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.116 -1.007 25411 17017 1 32 . 1 1 9 9 GLU N N 9 120.354 120.354 119.355 0.999 25411 17018 1 32 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.364 -0.405 25411 17019 1 32 . 1 1 9 9 GLU CA C 9 60.258 60.258 58.809 1.449 25411 17020 1 32 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.439 -0.213 25411 17021 1 32 . 1 1 9 9 GLU H H 9 7.690 7.690 8.495 -0.805 25411 17022 1 32 . 1 1 10 10 ARG N N 10 118.753 118.753 120.292 -1.539 25411 17023 1 32 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.076 0.023 25411 17024 1 32 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.661 -1.440 25411 17025 1 32 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.295 -1.200 25411 17026 1 32 . 1 1 10 10 ARG H H 10 8.928 8.928 8.064 0.864 25411 17027 1 32 . 1 1 11 11 TYR N N 11 121.288 121.288 119.146 2.142 25411 17028 1 32 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.315 -0.126 25411 17029 1 32 . 1 1 11 11 TYR CA C 11 61.236 61.236 60.874 0.362 25411 17030 1 32 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.221 -0.360 25411 17031 1 32 . 1 1 11 11 TYR H H 11 7.562 7.562 8.818 -1.256 25411 17032 1 32 . 1 1 12 12 VAL N N 12 119.304 119.304 119.894 -0.590 25411 17033 1 32 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.620 -0.537 25411 17034 1 32 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.468 0.367 25411 17035 1 32 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.331 -0.232 25411 17036 1 32 . 1 1 12 12 VAL H H 12 8.075 8.075 7.804 0.271 25411 17037 1 32 . 1 1 13 13 GLU N N 13 119.685 119.685 120.156 -0.471 25411 17038 1 32 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.027 0.128 25411 17039 1 32 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.505 -0.080 25411 17040 1 32 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.261 -0.073 25411 17041 1 32 . 1 1 13 13 GLU H H 13 8.278 8.278 7.925 0.353 25411 17042 1 32 . 1 1 14 14 GLN N N 14 119.682 119.682 119.948 -0.266 25411 17043 1 32 . 1 1 14 14 GLN HA H 14 3.656 3.656 3.998 -0.342 25411 17044 1 32 . 1 1 14 14 GLN CA C 14 59.969 59.969 59.017 0.952 25411 17045 1 32 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.293 1.380 25411 17046 1 32 . 1 1 14 14 GLN H H 14 7.653 7.653 8.201 -0.548 25411 17047 1 32 . 1 1 15 15 LEU N N 15 121.000 121.000 118.500 2.500 25411 17048 1 32 . 1 1 15 15 LEU HA H 15 3.921 3.921 3.960 -0.039 25411 17049 1 32 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.094 1.361 25411 17050 1 32 . 1 1 15 15 LEU CB C 15 40.760 40.760 40.931 -0.171 25411 17051 1 32 . 1 1 15 15 LEU H H 15 8.402 8.402 8.489 -0.087 25411 17052 1 32 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.839 -0.143 25411 17053 1 32 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.393 -0.135 25411 17054 1 32 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.276 -0.141 25411 17055 1 32 . 1 1 17 17 GLN N N 17 117.558 117.558 118.374 -0.816 25411 17056 1 32 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.030 -0.143 25411 17057 1 32 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.688 -0.246 25411 17058 1 32 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.648 -0.603 25411 17059 1 32 . 1 1 17 17 GLN H H 17 7.849 7.849 8.022 -0.173 25411 17060 1 32 . 1 1 18 18 ALA N N 18 120.288 120.288 122.864 -2.576 25411 17061 1 32 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.119 -0.331 25411 17062 1 32 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.741 0.152 25411 17063 1 32 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.528 -1.132 25411 17064 1 32 . 1 1 18 18 ALA H H 18 8.504 8.504 8.005 0.499 25411 17065 1 32 . 1 1 19 19 LEU N N 19 116.974 116.974 118.478 -1.504 25411 17066 1 32 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.034 -0.275 25411 17067 1 32 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.933 0.619 25411 17068 1 32 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.848 -1.155 25411 17069 1 32 . 1 1 19 19 LEU H H 19 8.143 8.143 8.281 -0.138 25411 17070 1 32 . 1 1 20 20 LYS N N 20 117.776 117.776 121.740 -3.964 25411 17071 1 32 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.069 -0.114 25411 17072 1 32 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.511 0.033 25411 17073 1 32 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.438 -1.952 25411 17074 1 32 . 1 1 20 20 LYS H H 20 8.340 8.340 8.188 0.152 25411 17075 1 32 . 1 1 21 21 THR N N 21 116.373 116.373 111.366 5.007 25411 17076 1 32 . 1 1 21 21 THR HA H 21 4.107 4.107 4.183 -0.076 25411 17077 1 32 . 1 1 21 21 THR CA C 21 64.611 64.611 64.307 0.304 25411 17078 1 32 . 1 1 21 21 THR CB C 21 68.811 68.811 68.549 0.262 25411 17079 1 32 . 1 1 21 21 THR H H 21 7.302 7.302 7.956 -0.654 25411 17080 1 32 . 1 1 22 22 ARG N N 22 118.647 118.647 119.569 -0.922 25411 17081 1 32 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.435 -0.073 25411 17082 1 32 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.797 -1.732 25411 17083 1 32 . 1 1 22 22 ARG CB C 22 29.528 29.528 30.989 -1.461 25411 17084 1 32 . 1 1 22 22 ARG H H 22 7.290 7.290 7.819 -0.529 25411 17085 1 32 . 1 1 23 23 GLY N N 23 108.637 108.637 107.749 0.888 25411 17086 1 32 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.692 0.420 25411 17087 1 32 . 1 1 23 23 GLY H H 23 7.881 7.881 7.699 0.182 25411 17088 1 32 . 1 1 24 24 VAL N N 24 117.390 117.390 123.131 -5.741 25411 17089 1 32 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.784 0.230 25411 17090 1 32 . 1 1 24 24 VAL CA C 24 61.668 61.668 62.997 -1.329 25411 17091 1 32 . 1 1 24 24 VAL CB C 24 32.372 32.372 29.078 3.294 25411 17092 1 32 . 1 1 24 24 VAL H H 24 7.333 7.333 7.485 -0.152 25411 17093 1 32 . 1 1 25 25 LYS N N 25 127.322 127.322 118.711 8.611 25411 17094 1 32 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.879 0.453 25411 17095 1 32 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.717 -1.955 25411 17096 1 32 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.674 0.087 25411 17097 1 32 . 1 1 25 25 LYS H H 25 8.722 8.722 8.223 0.499 25411 17098 1 32 . 1 1 26 26 VAL N N 26 120.568 120.568 118.976 1.592 25411 17099 1 32 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.190 -0.112 25411 17100 1 32 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.328 -0.663 25411 17101 1 32 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.724 -0.077 25411 17102 1 32 . 1 1 26 26 VAL H H 26 7.119 7.119 8.027 -0.908 25411 17103 1 32 . 1 1 27 27 LYS N N 27 125.675 125.675 125.432 0.243 25411 17104 1 32 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.474 -0.148 25411 17105 1 32 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.411 0.000 25411 17106 1 32 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.431 -2.471 25411 17107 1 32 . 1 1 27 27 LYS H H 27 8.570 8.570 8.019 0.551 25411 17108 1 32 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.514 -0.497 25411 17109 1 32 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.681 -2.269 25411 17110 1 32 . 1 1 28 28 TYR CB C 28 40.840 40.840 39.222 1.618 25411 17111 1 32 . 1 1 29 29 ALA N N 29 120.743 120.743 128.479 -7.736 25411 17112 1 32 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.151 -0.483 25411 17113 1 32 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.072 -0.394 25411 17114 1 32 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.128 -1.128 25411 17115 1 32 . 1 1 29 29 ALA H H 29 8.323 8.323 8.809 -0.486 25411 17116 1 32 . 1 1 30 30 ASP N N 30 117.202 117.202 116.560 0.642 25411 17117 1 32 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.495 -0.213 25411 17118 1 32 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.808 -0.255 25411 17119 1 32 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.299 0.508 25411 17120 1 32 . 1 1 30 30 ASP H H 30 6.872 6.872 8.781 -1.909 25411 17121 1 32 . 1 1 31 31 LEU N N 31 122.273 122.273 120.520 1.753 25411 17122 1 32 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.422 -0.876 25411 17123 1 32 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.972 -0.247 25411 17124 1 32 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.250 -1.592 25411 17125 1 32 . 1 1 31 31 LEU H H 31 7.433 7.433 7.478 -0.045 25411 17126 1 32 . 1 1 32 32 LEU N N 32 123.376 123.376 118.732 4.644 25411 17127 1 32 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.292 -0.677 25411 17128 1 32 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.637 0.459 25411 17129 1 32 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.859 -1.317 25411 17130 1 32 . 1 1 32 32 LEU H H 32 8.727 8.727 7.888 0.839 25411 17131 1 32 . 1 1 33 33 LYS N N 33 118.078 118.078 120.385 -2.307 25411 17132 1 32 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.592 -0.379 25411 17133 1 32 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.259 -0.161 25411 17134 1 32 . 1 1 33 33 LYS CB C 33 31.890 31.890 31.912 -0.022 25411 17135 1 32 . 1 1 33 33 LYS H H 33 7.149 7.149 7.714 -0.565 25411 17136 1 32 . 1 1 34 34 PHE N N 34 117.398 117.398 120.730 -3.332 25411 17137 1 32 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.486 -4.791 25411 17138 1 32 . 1 1 34 34 PHE CB C 34 41.219 41.219 38.960 2.259 25411 17139 1 32 . 1 1 34 34 PHE H H 34 7.633 7.633 8.369 -0.736 25411 17140 1 32 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.132 -0.339 25411 17141 1 32 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.050 -0.458 25411 17142 1 32 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.417 -2.403 25411 17143 1 32 . 1 1 36 36 ASP N N 36 120.136 120.136 119.386 0.750 25411 17144 1 32 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.486 -0.390 25411 17145 1 32 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.082 -0.141 25411 17146 1 32 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.266 -1.161 25411 17147 1 32 . 1 1 36 36 ASP H H 36 8.330 8.330 8.925 -0.595 25411 17148 1 32 . 1 1 37 37 PHE N N 37 121.883 121.883 120.735 1.148 25411 17149 1 32 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.459 -0.201 25411 17150 1 32 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.471 -1.773 25411 17151 1 32 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.445 0.740 25411 17152 1 32 . 1 1 37 37 PHE H H 37 7.794 7.794 8.292 -0.498 25411 17153 1 32 . 1 1 38 38 VAL N N 38 118.525 118.525 119.384 -0.859 25411 17154 1 32 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.596 -0.557 25411 17155 1 32 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.554 0.328 25411 17156 1 32 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.616 -0.928 25411 17157 1 32 . 1 1 38 38 VAL H H 38 8.262 8.262 7.943 0.319 25411 17158 1 32 . 1 1 39 39 LYS HA H 39 3.456 3.456 4.040 -0.584 25411 17159 1 32 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.164 -0.110 25411 17160 1 32 . 1 1 39 39 LYS CB C 39 31.696 31.696 32.081 -0.385 25411 17161 1 32 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.635 -0.190 25411 17162 1 32 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.242 0.743 25411 17163 1 32 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.762 -1.070 25411 17164 1 32 . 1 1 41 41 ILE N N 41 120.641 120.641 119.583 1.058 25411 17165 1 32 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.827 0.198 25411 17166 1 32 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.834 -3.182 25411 17167 1 32 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.806 -0.742 25411 17168 1 32 . 1 1 41 41 ILE H H 41 8.788 8.788 8.056 0.732 25411 17169 1 32 . 1 1 42 42 CYS N N 42 117.896 117.896 115.425 2.471 25411 17170 1 32 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.805 0.367 25411 17171 1 32 . 1 1 42 42 CYS CB C 42 28.324 28.324 28.915 -0.591 25411 17172 1 32 . 1 1 42 42 CYS H H 42 7.180 7.180 7.557 -0.377 25411 17173 1 32 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.297 0.018 25411 17174 1 32 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.863 0.140 25411 17175 1 32 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.620 -0.905 25411 17176 1 32 . 1 1 44 44 TRP N N 44 113.823 113.823 116.103 -2.280 25411 17177 1 32 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.329 -0.024 25411 17178 1 32 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.124 -1.726 25411 17179 1 32 . 1 1 44 44 TRP CB C 44 27.811 27.811 28.913 -1.102 25411 17180 1 32 . 1 1 44 44 TRP H H 44 6.591 6.591 7.995 -1.404 25411 17181 1 32 . 1 1 45 45 PHE N N 45 123.100 123.100 116.403 6.697 25411 17182 1 32 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.038 -1.037 25411 17183 1 32 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.621 8.188 25411 17184 1 32 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.560 -3.625 25411 17185 1 32 . 1 1 45 45 PHE H H 45 7.239 7.239 7.556 -0.317 25411 17186 1 32 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.243 -0.231 25411 17187 1 32 . 1 1 46 46 PRO CA C 46 64.531 64.531 65.012 -0.481 25411 17188 1 32 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.694 -1.207 25411 17189 1 32 . 1 1 47 47 GLN N N 47 114.502 114.502 117.875 -3.373 25411 17190 1 32 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.067 -0.130 25411 17191 1 32 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.401 0.003 25411 17192 1 32 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.198 1.122 25411 17193 1 32 . 1 1 47 47 GLN H H 47 6.518 6.518 8.684 -2.166 25411 17194 1 32 . 1 1 48 48 GLU N N 48 117.358 117.358 118.080 -0.722 25411 17195 1 32 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.215 -0.177 25411 17196 1 32 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.593 1.579 25411 17197 1 32 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.232 -1.278 25411 17198 1 32 . 1 1 48 48 GLU H H 48 7.318 7.318 7.999 -0.681 25411 17199 1 32 . 1 1 49 49 GLY N N 49 105.534 105.534 108.510 -2.976 25411 17200 1 32 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.894 1.409 25411 17201 1 32 . 1 1 49 49 GLY H H 49 7.296 7.296 7.669 -0.373 25411 17202 1 32 . 1 1 50 50 THR N N 50 114.069 114.069 112.648 1.421 25411 17203 1 32 . 1 1 50 50 THR HA H 50 4.234 4.234 4.390 -0.156 25411 17204 1 32 . 1 1 50 50 THR CA C 50 61.683 61.683 60.232 1.451 25411 17205 1 32 . 1 1 50 50 THR CB C 50 70.718 70.718 70.826 -0.108 25411 17206 1 32 . 1 1 50 50 THR H H 50 7.597 7.597 7.630 -0.033 25411 17207 1 32 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.254 -0.129 25411 17208 1 32 . 1 1 51 51 ILE CA C 51 59.870 59.870 60.508 -0.638 25411 17209 1 32 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.111 -3.823 25411 17210 1 32 . 1 1 52 52 ASP N N 52 121.791 121.791 126.052 -4.261 25411 17211 1 32 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.777 -0.154 25411 17212 1 32 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.682 -0.951 25411 17213 1 32 . 1 1 52 52 ASP CB C 52 42.461 42.461 43.925 -1.464 25411 17214 1 32 . 1 1 52 52 ASP H H 52 7.168 7.168 8.254 -1.086 25411 17215 1 32 . 1 1 53 53 ILE N N 53 119.537 119.537 117.527 2.010 25411 17216 1 32 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.557 -0.422 25411 17217 1 32 . 1 1 53 53 ILE CA C 53 61.796 61.796 61.904 -0.108 25411 17218 1 32 . 1 1 53 53 ILE CB C 53 37.815 37.815 40.071 -2.256 25411 17219 1 32 . 1 1 53 53 ILE H H 53 8.336 8.336 8.451 -0.115 25411 17220 1 32 . 1 1 54 54 LYS N N 54 123.592 123.592 122.094 1.498 25411 17221 1 32 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.195 -0.090 25411 17222 1 32 . 1 1 54 54 LYS CA C 54 59.972 59.972 59.299 0.673 25411 17223 1 32 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.062 -0.314 25411 17224 1 32 . 1 1 54 54 LYS H H 54 8.104 8.104 8.106 -0.002 25411 17225 1 32 . 1 1 55 55 ARG N N 55 120.511 120.511 118.862 1.649 25411 17226 1 32 . 1 1 55 55 ARG HA H 55 4.301 4.301 3.999 0.302 25411 17227 1 32 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.155 0.748 25411 17228 1 32 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.067 -0.011 25411 17229 1 32 . 1 1 55 55 ARG H H 55 9.196 9.196 9.032 0.164 25411 17230 1 32 . 1 1 56 56 TRP N N 56 120.681 120.681 122.242 -1.561 25411 17231 1 32 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.533 0.170 25411 17232 1 32 . 1 1 56 56 TRP CA C 56 59.406 59.406 59.726 -0.320 25411 17233 1 32 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.034 0.980 25411 17234 1 32 . 1 1 56 56 TRP H H 56 8.899 8.899 8.747 0.152 25411 17235 1 32 . 1 1 57 57 ARG N N 57 122.115 122.115 120.188 1.927 25411 17236 1 32 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.323 1.084 25411 17237 1 32 . 1 1 57 57 ARG CA C 57 60.027 60.027 58.527 1.500 25411 17238 1 32 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.655 0.131 25411 17239 1 32 . 1 1 57 57 ARG H H 57 9.210 9.210 7.839 1.371 25411 17240 1 32 . 1 1 58 58 ARG N N 58 120.918 120.918 119.945 0.973 25411 17241 1 32 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.435 0.410 25411 17242 1 32 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.121 -0.392 25411 17243 1 32 . 1 1 58 58 ARG H H 58 7.640 7.640 7.529 0.111 25411 17244 1 32 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.713 0.051 25411 17245 1 32 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.244 0.756 25411 17246 1 32 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.093 -0.261 25411 17247 1 32 . 1 1 59 59 VAL H H 59 7.916 7.916 7.789 0.127 25411 17248 1 32 . 1 1 60 60 GLY N N 60 106.856 106.856 107.363 -0.507 25411 17249 1 32 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.097 -1.016 25411 17250 1 32 . 1 1 60 60 GLY H H 60 7.623 7.623 8.433 -0.810 25411 17251 1 32 . 1 1 61 61 ASP N N 61 123.308 123.308 122.167 1.141 25411 17252 1 32 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.426 -0.201 25411 17253 1 32 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.803 -0.003 25411 17254 1 32 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.599 -1.115 25411 17255 1 32 . 1 1 61 61 ASP H H 61 8.203 8.203 7.498 0.705 25411 17256 1 32 . 1 1 62 62 CYS N N 62 120.841 120.841 118.801 2.040 25411 17257 1 32 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.021 0.217 25411 17258 1 32 . 1 1 62 62 CYS CA C 62 62.950 62.950 63.729 -0.779 25411 17259 1 32 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.833 -0.330 25411 17260 1 32 . 1 1 62 62 CYS H H 62 7.795 7.795 7.430 0.365 25411 17261 1 32 . 1 1 63 63 PHE N N 63 119.763 119.763 118.236 1.527 25411 17262 1 32 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.362 -0.084 25411 17263 1 32 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.444 -2.787 25411 17264 1 32 . 1 1 63 63 PHE CB C 63 36.990 36.990 37.923 -0.933 25411 17265 1 32 . 1 1 63 63 PHE H H 63 8.647 8.647 7.632 1.015 25411 17266 1 32 . 1 1 64 64 GLN N N 64 118.578 118.578 120.030 -1.452 25411 17267 1 32 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.275 0.033 25411 17268 1 32 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.882 0.451 25411 17269 1 32 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.575 0.004 25411 17270 1 32 . 1 1 64 64 GLN H H 64 8.261 8.261 8.497 -0.236 25411 17271 1 32 . 1 1 65 65 ASP N N 65 119.534 119.534 121.865 -2.331 25411 17272 1 32 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.347 0.137 25411 17273 1 32 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.335 -0.006 25411 17274 1 32 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.933 -1.262 25411 17275 1 32 . 1 1 65 65 ASP H H 65 8.338 8.338 8.609 -0.271 25411 17276 1 32 . 1 1 66 66 TYR N N 66 123.600 123.600 122.066 1.534 25411 17277 1 32 . 1 1 66 66 TYR HA H 66 4.502 4.502 4.144 0.358 25411 17278 1 32 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.151 -0.920 25411 17279 1 32 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.561 -0.128 25411 17280 1 32 . 1 1 66 66 TYR H H 66 7.804 7.804 8.281 -0.477 25411 17281 1 32 . 1 1 67 67 TYR N N 67 122.825 122.825 119.117 3.708 25411 17282 1 32 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.884 0.113 25411 17283 1 32 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.644 0.259 25411 17284 1 32 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.537 0.409 25411 17285 1 32 . 1 1 67 67 TYR H H 67 9.100 9.100 8.539 0.561 25411 17286 1 32 . 1 1 68 68 ASN N N 68 118.826 118.826 117.041 1.785 25411 17287 1 32 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.242 0.041 25411 17288 1 32 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.592 -0.160 25411 17289 1 32 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.044 -0.168 25411 17290 1 32 . 1 1 68 68 ASN H H 68 8.853 8.853 8.514 0.339 25411 17291 1 32 . 1 1 69 69 THR N N 69 114.242 114.242 114.083 0.159 25411 17292 1 32 . 1 1 69 69 THR HA H 69 3.837 3.837 3.864 -0.027 25411 17293 1 32 . 1 1 69 69 THR CA C 69 65.328 65.328 65.500 -0.172 25411 17294 1 32 . 1 1 69 69 THR CB C 69 69.249 69.249 68.484 0.765 25411 17295 1 32 . 1 1 69 69 THR H H 69 7.847 7.847 8.077 -0.230 25411 17296 1 32 . 1 1 70 70 PHE N N 70 117.970 117.970 118.170 -0.200 25411 17297 1 32 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.619 -0.055 25411 17298 1 32 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.011 0.231 25411 17299 1 32 . 1 1 70 70 PHE CB C 70 41.074 41.074 39.728 1.346 25411 17300 1 32 . 1 1 70 70 PHE H H 70 8.489 8.489 7.360 1.129 25411 17301 1 32 . 1 1 71 71 GLY N N 71 109.516 109.516 105.682 3.834 25411 17302 1 32 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.361 0.671 25411 17303 1 32 . 1 1 71 71 GLY H H 71 7.968 7.968 8.024 -0.056 25411 17304 1 32 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.391 0.320 25411 17305 1 32 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.651 0.646 25411 17306 1 32 . 1 1 72 72 PRO CB C 72 31.744 31.744 32.056 -0.312 25411 17307 1 32 . 1 1 73 73 GLU N N 73 117.720 117.720 125.018 -7.298 25411 17308 1 32 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.123 -0.224 25411 17309 1 32 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.501 0.235 25411 17310 1 32 . 1 1 73 73 GLU CB C 73 28.863 28.863 30.177 -1.314 25411 17311 1 32 . 1 1 73 73 GLU H H 73 8.586 8.586 8.927 -0.341 25411 17312 1 32 . 1 1 74 74 LYS N N 74 116.974 116.974 117.723 -0.749 25411 17313 1 32 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.472 -0.083 25411 17314 1 32 . 1 1 74 74 LYS CA C 74 55.185 55.185 56.432 -1.247 25411 17315 1 32 . 1 1 74 74 LYS CB C 74 34.087 34.087 34.264 -0.177 25411 17316 1 32 . 1 1 74 74 LYS H H 74 7.505 7.505 8.227 -0.722 25411 17317 1 32 . 1 1 75 75 VAL N N 75 117.309 117.309 122.211 -4.902 25411 17318 1 32 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.439 -0.126 25411 17319 1 32 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.038 2.007 25411 17320 1 32 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.996 -1.012 25411 17321 1 32 . 1 1 75 75 VAL H H 75 7.402 7.402 8.101 -0.699 25411 17322 1 32 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.662 -0.100 25411 17323 1 32 . 1 1 76 76 PRO CA C 76 61.687 61.687 63.006 -1.319 25411 17324 1 32 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.872 -1.141 25411 17325 1 32 . 1 1 77 77 VAL N N 77 120.870 120.870 123.407 -2.537 25411 17326 1 32 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.191 -0.363 25411 17327 1 32 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.037 1.801 25411 17328 1 32 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.108 -0.721 25411 17329 1 32 . 1 1 77 77 VAL H H 77 8.473 8.473 8.690 -0.216 25411 17330 1 32 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.843 0.009 25411 17331 1 32 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.192 -3.067 25411 17332 1 32 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.977 0.158 25411 17333 1 32 . 1 1 78 78 ILE H H 78 8.388 8.388 8.220 0.168 25411 17334 1 32 . 1 1 79 79 ALA N N 79 123.960 123.960 123.434 0.526 25411 17335 1 32 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.145 -0.255 25411 17336 1 32 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.598 0.291 25411 17337 1 32 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.257 -0.634 25411 17338 1 32 . 1 1 79 79 ALA H H 79 7.953 7.953 7.803 0.150 25411 17339 1 32 . 1 1 80 80 PHE N N 80 114.330 114.330 115.610 -1.280 25411 17340 1 32 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.674 -0.243 25411 17341 1 32 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.959 1.353 25411 17342 1 32 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.312 -1.656 25411 17343 1 32 . 1 1 80 80 PHE H H 80 7.499 7.499 8.267 -0.768 25411 17344 1 32 . 1 1 81 81 SER N N 81 115.971 115.971 114.129 1.842 25411 17345 1 32 . 1 1 81 81 SER HA H 81 4.206 4.206 4.440 -0.234 25411 17346 1 32 . 1 1 81 81 SER CA C 81 58.432 58.432 59.153 -0.721 25411 17347 1 32 . 1 1 81 81 SER CB C 81 63.575 63.575 63.611 -0.036 25411 17348 1 32 . 1 1 81 81 SER H H 81 8.225 8.225 7.960 0.265 25411 17349 1 32 . 1 1 82 82 TYR N N 82 121.997 121.997 121.799 0.198 25411 17350 1 32 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.472 -0.025 25411 17351 1 32 . 1 1 82 82 TYR CA C 82 55.885 55.885 57.867 -1.982 25411 17352 1 32 . 1 1 82 82 TYR CB C 82 37.838 37.838 37.387 0.451 25411 17353 1 32 . 1 1 82 82 TYR H H 82 8.378 8.378 7.484 0.894 25411 17354 1 32 . 1 1 83 83 TRP N N 83 120.268 120.268 122.642 -2.374 25411 17355 1 32 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.177 -4.784 25411 17356 1 32 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.454 -0.560 25411 17357 1 32 . 1 1 83 83 TRP H H 83 8.546 8.546 9.379 -0.833 25411 17358 1 32 . 1 1 84 84 ASN HA H 84 4.220 4.220 3.711 0.509 25411 17359 1 32 . 1 1 84 84 ASN CA C 84 56.629 56.629 55.974 0.655 25411 17360 1 32 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.804 1.261 25411 17361 1 32 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.179 -0.133 25411 17362 1 32 . 1 1 85 85 LEU CA C 85 58.142 58.142 56.804 1.337 25411 17363 1 32 . 1 1 85 85 LEU CB C 85 41.692 41.692 42.011 -0.320 25411 17364 1 32 . 1 1 86 86 ILE N N 86 117.000 117.000 119.776 -2.776 25411 17365 1 32 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.423 0.023 25411 17366 1 32 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.619 -2.336 25411 17367 1 32 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.109 -1.697 25411 17368 1 32 . 1 1 86 86 ILE H H 86 7.882 7.882 7.565 0.317 25411 17369 1 32 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.844 -0.618 25411 17370 1 32 . 1 1 87 87 LYS CA C 87 59.996 59.996 58.944 1.052 25411 17371 1 32 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.678 -0.628 25411 17372 1 32 . 1 1 88 88 GLU N N 88 116.404 116.404 117.281 -0.877 25411 17373 1 32 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.326 -0.479 25411 17374 1 32 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.002 0.909 25411 17375 1 32 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.076 -0.107 25411 17376 1 32 . 1 1 88 88 GLU H H 88 7.689 7.689 7.637 0.052 25411 17377 1 32 . 1 1 89 89 LEU N N 89 118.193 118.193 120.775 -2.582 25411 17378 1 32 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.091 -0.202 25411 17379 1 32 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.819 1.144 25411 17380 1 32 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.128 -0.828 25411 17381 1 32 . 1 1 89 89 LEU H H 89 7.415 7.415 7.542 -0.127 25411 17382 1 32 . 1 1 90 90 ILE N N 90 115.471 115.471 119.833 -4.362 25411 17383 1 32 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.742 -0.324 25411 17384 1 32 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.005 0.903 25411 17385 1 32 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.658 -0.064 25411 17386 1 32 . 1 1 90 90 ILE H H 90 7.718 7.718 7.608 0.110 25411 17387 1 32 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.508 -0.788 25411 17388 1 32 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.858 0.806 25411 17389 1 32 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.097 0.435 25411 17390 1 32 . 1 1 92 92 LYS N N 92 119.253 119.253 118.652 0.601 25411 17391 1 32 . 1 1 92 92 LYS CA C 92 58.897 58.897 57.112 1.785 25411 17392 1 32 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.100 -0.112 25411 17393 1 32 . 1 1 92 92 LYS H H 92 7.869 7.869 7.518 0.351 25411 17394 1 32 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.909 0.622 25411 17395 1 32 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.886 -3.628 25411 17396 1 32 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.932 0.237 25411 17397 1 32 . 1 1 94 94 GLU N N 94 116.729 116.729 120.632 -3.903 25411 17398 1 32 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.046 0.087 25411 17399 1 32 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.115 0.204 25411 17400 1 32 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.328 -1.953 25411 17401 1 32 . 1 1 94 94 GLU H H 94 8.393 8.393 8.006 0.387 25411 17402 1 32 . 1 1 95 95 VAL N N 95 121.696 121.696 117.440 4.256 25411 17403 1 32 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.833 0.649 25411 17404 1 32 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.383 3.338 25411 17405 1 32 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.426 1.468 25411 17406 1 32 . 1 1 95 95 VAL H H 95 7.923 7.923 7.560 0.363 25411 17407 1 32 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.655 -0.297 25411 17408 1 32 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.200 0.406 25411 17409 1 32 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.738 -0.864 25411 17410 1 32 . 1 1 98 98 GLN N N 98 117.731 117.731 119.227 -1.496 25411 17411 1 32 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.071 -0.146 25411 17412 1 32 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.472 0.136 25411 17413 1 32 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.694 0.827 25411 17414 1 32 . 1 1 98 98 GLN H H 98 8.359 8.359 8.670 -0.311 25411 17415 1 32 . 1 1 99 99 VAL N N 99 121.326 121.326 118.932 2.394 25411 17416 1 32 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.721 -0.301 25411 17417 1 32 . 1 1 99 99 VAL CA C 99 66.404 66.404 66.295 0.109 25411 17418 1 32 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.567 0.052 25411 17419 1 32 . 1 1 99 99 VAL H H 99 7.901 7.901 8.239 -0.338 25411 17420 1 32 . 1 1 100 100 MET N N 100 120.447 120.447 116.817 3.630 25411 17421 1 32 . 1 1 100 100 MET HA H 100 3.812 3.812 4.280 -0.468 25411 17422 1 32 . 1 1 100 100 MET CA C 100 59.297 59.297 58.298 0.999 25411 17423 1 32 . 1 1 100 100 MET CB C 100 32.099 32.099 32.847 -0.748 25411 17424 1 32 . 1 1 100 100 MET H H 100 7.509 7.509 7.510 -0.001 25411 17425 1 32 . 1 1 101 101 ALA N N 101 119.458 119.458 121.985 -2.527 25411 17426 1 32 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.116 0.094 25411 17427 1 32 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.445 0.307 25411 17428 1 32 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.357 -0.836 25411 17429 1 32 . 1 1 101 101 ALA H H 101 7.889 7.889 7.562 0.327 25411 17430 1 32 . 1 1 102 102 ALA N N 102 119.627 119.627 120.658 -1.031 25411 17431 1 32 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.122 -0.129 25411 17432 1 32 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.613 0.275 25411 17433 1 32 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.619 -1.275 25411 17434 1 32 . 1 1 102 102 ALA H H 102 7.563 7.563 8.276 -0.713 25411 17435 1 32 . 1 1 103 103 VAL N N 103 122.690 122.690 118.792 3.898 25411 17436 1 32 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.894 0.179 25411 17437 1 32 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.656 -3.971 25411 17438 1 32 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.804 1.418 25411 17439 1 32 . 1 1 103 103 VAL H H 103 8.828 8.828 7.693 1.135 25411 17440 1 32 . 1 1 104 104 ALA N N 104 128.041 128.041 119.942 8.099 25411 17441 1 32 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.194 0.075 25411 17442 1 32 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.499 -2.358 25411 17443 1 32 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.265 0.675 25411 17444 1 32 . 1 1 104 104 ALA H H 104 8.367 8.367 7.453 0.914 25411 17445 1 32 . 1 1 105 105 GLN N N 105 120.265 120.265 115.184 5.081 25411 17446 1 32 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.736 0.195 25411 17447 1 32 . 1 1 105 105 GLN CB C 105 29.020 29.020 30.680 -1.660 25411 17448 1 32 . 1 1 105 105 GLN H H 105 8.356 8.356 7.661 0.695 25411 17449 1 32 . 1 1 106 106 THR HA H 106 4.320 4.320 4.237 0.083 25411 17450 1 32 . 1 1 106 106 THR CA C 106 61.346 61.346 64.763 -3.417 25411 17451 1 32 . 1 1 106 106 THR CB C 106 69.293 69.293 69.077 0.216 25411 17452 1 32 . 1 1 107 107 GLU N N 107 122.706 122.706 119.332 3.374 25411 17453 1 32 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.495 -0.313 25411 17454 1 32 . 1 1 107 107 GLU CA C 107 56.576 56.576 57.258 -0.682 25411 17455 1 32 . 1 1 107 107 GLU CB C 107 29.936 29.936 31.803 -1.867 25411 17456 1 32 . 1 1 107 107 GLU H H 107 8.404 8.404 7.550 0.854 25411 17457 1 32 . 1 1 108 108 GLU N N 108 122.034 122.034 116.040 5.994 25411 17458 1 32 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.132 0.029 25411 17459 1 32 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.095 -0.446 25411 17460 1 32 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.648 0.028 25411 17461 1 32 . 1 1 108 108 GLU H H 108 7.341 7.341 7.635 -0.294 25411 17462 1 32 . 1 1 109 109 ILE N N 109 122.151 122.151 114.905 7.246 25411 17463 1 32 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.300 -0.253 25411 17464 1 32 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.539 -0.974 25411 17465 1 32 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.484 -0.380 25411 17466 1 32 . 1 1 109 109 ILE H H 109 8.058 8.058 8.664 -0.606 25411 17467 1 32 . 1 1 110 110 LEU N N 110 122.427 122.427 121.261 1.166 25411 17468 1 32 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.128 0.148 25411 17469 1 32 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.360 -1.209 25411 17470 1 32 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.989 -8.734 25411 17471 1 32 . 1 1 110 110 LEU H H 110 8.194 8.194 7.984 0.210 25411 17472 1 32 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.126 0.121 25411 17473 1 32 . 1 1 111 111 LYS CA C 111 56.137 56.137 57.543 -1.406 25411 17474 1 32 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.272 0.297 25411 17475 1 32 . 1 1 112 112 SER N N 112 116.453 116.453 112.089 4.364 25411 17476 1 32 . 1 1 112 112 SER HA H 112 4.175 4.175 4.097 0.078 25411 17477 1 32 . 1 1 112 112 SER CA C 112 58.311 58.311 60.359 -2.048 25411 17478 1 32 . 1 1 112 112 SER CB C 112 63.441 63.441 62.693 0.748 25411 17479 1 32 . 1 1 112 112 SER H H 112 8.204 8.204 8.083 0.121 25411 17480 1 32 . 1 1 113 113 ASN N N 113 119.747 119.747 114.675 5.072 25411 17481 1 32 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.796 -0.152 25411 17482 1 32 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.036 1.609 25411 17483 1 32 . 1 1 113 113 ASN CB C 113 38.646 38.646 38.794 -0.148 25411 17484 1 32 . 1 1 113 113 ASN H H 113 7.944 7.944 7.265 0.679 25411 17485 1 32 . 1 1 114 114 SER N N 114 115.433 115.433 114.451 0.982 25411 17486 1 32 . 1 1 114 114 SER HA H 114 4.336 4.336 4.320 0.016 25411 17487 1 32 . 1 1 114 114 SER CA C 114 58.711 58.711 59.772 -1.061 25411 17488 1 32 . 1 1 114 114 SER CB C 114 63.308 63.308 63.170 0.138 25411 17489 1 32 . 1 1 114 114 SER H H 114 7.962 7.962 8.508 -0.546 25411 17490 1 32 . 1 1 115 115 GLN N N 115 121.682 121.682 120.418 1.264 25411 17491 1 32 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.604 -0.330 25411 17492 1 32 . 1 1 115 115 GLN CA C 115 56.193 56.193 56.514 -0.321 25411 17493 1 32 . 1 1 115 115 GLN CB C 115 28.807 28.807 30.544 -1.737 25411 17494 1 32 . 1 1 115 115 GLN H H 115 8.207 8.207 8.371 -0.164 25411 17495 1 32 . 1 1 116 116 THR N N 116 114.715 114.715 109.038 5.677 25411 17496 1 32 . 1 1 116 116 THR HA H 116 4.225 4.225 4.706 -0.481 25411 17497 1 32 . 1 1 116 116 THR CA C 116 62.109 62.109 60.202 1.907 25411 17498 1 32 . 1 1 116 116 THR CB C 116 69.336 69.336 72.219 -2.883 25411 17499 1 32 . 1 1 116 116 THR H H 116 8.062 8.062 7.649 0.413 25411 17500 1 32 . 1 1 117 117 ASP N N 117 122.602 122.602 122.034 0.568 25411 17501 1 32 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.269 0.299 25411 17502 1 32 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.965 -2.761 25411 17503 1 32 . 1 1 117 117 ASP CB C 117 40.665 40.665 39.838 0.827 25411 17504 1 32 . 1 1 117 117 ASP H H 117 8.065 8.065 9.022 -0.957 25411 17505 1 32 . 1 1 118 118 LEU N N 118 122.140 122.140 119.483 2.657 25411 17506 1 32 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.212 -0.057 25411 17507 1 32 . 1 1 118 118 LEU CA C 118 55.423 55.423 54.379 1.044 25411 17508 1 32 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.861 0.012 25411 17509 1 32 . 1 1 118 118 LEU H H 118 8.085 8.085 7.550 0.535 25411 17510 1 32 . 1 1 119 119 GLU N N 119 119.672 119.672 116.190 3.482 25411 17511 1 32 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.853 0.215 25411 17512 1 32 . 1 1 119 119 GLU CA C 119 56.565 56.565 56.700 -0.135 25411 17513 1 32 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.744 1.828 25411 17514 1 32 . 1 1 119 119 GLU H H 119 8.143 8.143 7.591 0.552 25411 17515 1 32 . 1 1 120 120 HIS N N 120 118.301 118.301 116.062 2.239 25411 17516 1 32 . 1 1 120 120 HIS CA C 120 55.883 55.883 58.371 -2.488 25411 17517 1 32 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.187 0.083 25411 17518 1 32 . 1 1 120 120 HIS H H 120 8.107 8.107 7.827 0.280 25411 17519 1 32 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.653 -0.645 25411 17520 1 32 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.745 -0.579 25411 17521 1 32 . 1 1 121 121 HIS CB C 121 28.759 28.759 30.470 -1.711 25411 17522 1 32 . 1 1 122 122 HIS N N 122 122.407 122.407 116.795 5.612 25411 17523 1 32 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.873 -0.655 25411 17524 1 32 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.690 1.391 25411 17525 1 32 . 1 1 122 122 HIS CB C 122 29.371 29.371 32.597 -3.226 25411 17526 1 32 . 1 1 122 122 HIS H H 122 8.489 8.489 7.917 0.572 25411 17527 1 32 . 1 1 123 123 HIS N N 123 122.868 122.868 118.270 4.598 25411 17528 1 32 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.240 0.147 25411 17529 1 32 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.353 -1.043 25411 17530 1 32 . 1 1 123 123 HIS CB C 123 29.502 29.502 28.980 0.523 25411 17531 1 32 . 1 1 123 123 HIS H H 123 8.596 8.596 8.203 0.393 25411 17532 1 32 . 1 1 124 124 HIS N N 124 123.734 123.734 120.535 3.199 25411 17533 1 32 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.815 -0.258 25411 17534 1 32 . 1 1 124 124 HIS CA C 124 55.385 55.385 53.950 1.435 25411 17535 1 32 . 1 1 124 124 HIS CB C 124 29.358 29.358 29.241 0.117 25411 17536 1 32 . 1 1 124 124 HIS H H 124 8.255 8.255 7.783 0.472 25411 17537 1 33 . 1 1 3 3 GLN N N 3 122.360 122.360 120.336 2.024 25411 17538 1 33 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.227 -0.339 25411 17539 1 33 . 1 1 3 3 GLN CA C 3 58.742 58.742 57.044 1.698 25411 17540 1 33 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.820 -0.437 25411 17541 1 33 . 1 1 3 3 GLN H H 3 9.398 9.398 8.625 0.773 25411 17542 1 33 . 1 1 4 4 GLU N N 4 119.689 119.689 120.014 -0.325 25411 17543 1 33 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.132 0.542 25411 17544 1 33 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.508 0.299 25411 17545 1 33 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.986 -0.286 25411 17546 1 33 . 1 1 4 4 GLU H H 4 7.464 7.464 8.811 -1.347 25411 17547 1 33 . 1 1 5 5 LEU N N 5 114.872 114.872 122.316 -7.444 25411 17548 1 33 . 1 1 5 5 LEU HA H 5 3.701 3.701 3.830 -0.129 25411 17549 1 33 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.053 -0.315 25411 17550 1 33 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.976 -1.161 25411 17551 1 33 . 1 1 5 5 LEU H H 5 8.206 8.206 7.520 0.686 25411 17552 1 33 . 1 1 6 6 SER N N 6 109.762 109.762 113.129 -3.367 25411 17553 1 33 . 1 1 6 6 SER HA H 6 4.092 4.092 4.124 -0.032 25411 17554 1 33 . 1 1 6 6 SER CA C 6 60.415 60.415 62.078 -1.663 25411 17555 1 33 . 1 1 6 6 SER CB C 6 63.391 63.391 62.603 0.788 25411 17556 1 33 . 1 1 6 6 SER H H 6 8.253 8.253 7.766 0.487 25411 17557 1 33 . 1 1 7 7 GLN N N 7 117.498 117.498 122.331 -4.833 25411 17558 1 33 . 1 1 7 7 GLN HA H 7 3.955 3.955 3.955 -0.000 25411 17559 1 33 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.498 -0.073 25411 17560 1 33 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.655 0.084 25411 17561 1 33 . 1 1 7 7 GLN H H 7 8.673 8.673 7.879 0.794 25411 17562 1 33 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.449 -0.652 25411 17563 1 33 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.707 -0.652 25411 17564 1 33 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.018 -0.909 25411 17565 1 33 . 1 1 9 9 GLU N N 9 120.354 120.354 119.992 0.362 25411 17566 1 33 . 1 1 9 9 GLU HA H 9 3.959 3.959 3.817 0.142 25411 17567 1 33 . 1 1 9 9 GLU CA C 9 60.258 60.258 58.941 1.317 25411 17568 1 33 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.660 -0.433 25411 17569 1 33 . 1 1 9 9 GLU H H 9 7.690 7.690 8.237 -0.547 25411 17570 1 33 . 1 1 10 10 ARG N N 10 118.753 118.753 119.719 -0.966 25411 17571 1 33 . 1 1 10 10 ARG HA H 10 4.099 4.099 3.967 0.132 25411 17572 1 33 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.421 -1.200 25411 17573 1 33 . 1 1 10 10 ARG CB C 10 29.095 29.095 29.995 -0.900 25411 17574 1 33 . 1 1 10 10 ARG H H 10 8.928 8.928 7.941 0.987 25411 17575 1 33 . 1 1 11 11 TYR N N 11 121.288 121.288 118.394 2.894 25411 17576 1 33 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.340 -0.151 25411 17577 1 33 . 1 1 11 11 TYR CA C 11 61.236 61.236 59.514 1.722 25411 17578 1 33 . 1 1 11 11 TYR CB C 11 37.861 37.861 37.844 0.017 25411 17579 1 33 . 1 1 11 11 TYR H H 11 7.562 7.562 8.069 -0.507 25411 17580 1 33 . 1 1 12 12 VAL N N 12 119.304 119.304 120.167 -0.863 25411 17581 1 33 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.646 -0.563 25411 17582 1 33 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.114 0.721 25411 17583 1 33 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.257 -0.158 25411 17584 1 33 . 1 1 12 12 VAL H H 12 8.075 8.075 7.356 0.719 25411 17585 1 33 . 1 1 13 13 GLU N N 13 119.685 119.685 120.124 -0.439 25411 17586 1 33 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.031 0.124 25411 17587 1 33 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.274 0.151 25411 17588 1 33 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.180 0.008 25411 17589 1 33 . 1 1 13 13 GLU H H 13 8.278 8.278 7.670 0.608 25411 17590 1 33 . 1 1 14 14 GLN N N 14 119.682 119.682 120.094 -0.412 25411 17591 1 33 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.067 -0.411 25411 17592 1 33 . 1 1 14 14 GLN CA C 14 59.969 59.969 59.143 0.826 25411 17593 1 33 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.783 0.890 25411 17594 1 33 . 1 1 14 14 GLN H H 14 7.653 7.653 8.160 -0.507 25411 17595 1 33 . 1 1 15 15 LEU N N 15 121.000 121.000 119.459 1.541 25411 17596 1 33 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.064 -0.143 25411 17597 1 33 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.486 0.969 25411 17598 1 33 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.272 -0.512 25411 17599 1 33 . 1 1 15 15 LEU H H 15 8.402 8.402 8.413 -0.011 25411 17600 1 33 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.848 -0.152 25411 17601 1 33 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.278 -0.020 25411 17602 1 33 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.251 -0.116 25411 17603 1 33 . 1 1 17 17 GLN N N 17 117.558 117.558 118.141 -0.583 25411 17604 1 33 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.036 -0.149 25411 17605 1 33 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.833 -0.391 25411 17606 1 33 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.733 -0.688 25411 17607 1 33 . 1 1 17 17 GLN H H 17 7.849 7.849 7.986 -0.137 25411 17608 1 33 . 1 1 18 18 ALA N N 18 120.288 120.288 123.010 -2.722 25411 17609 1 33 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.158 -0.370 25411 17610 1 33 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.837 0.056 25411 17611 1 33 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.598 -1.202 25411 17612 1 33 . 1 1 18 18 ALA H H 18 8.504 8.504 8.313 0.191 25411 17613 1 33 . 1 1 19 19 LEU N N 19 116.974 116.974 117.938 -0.964 25411 17614 1 33 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.007 -0.248 25411 17615 1 33 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.938 0.614 25411 17616 1 33 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.584 -0.891 25411 17617 1 33 . 1 1 19 19 LEU H H 19 8.143 8.143 8.411 -0.268 25411 17618 1 33 . 1 1 20 20 LYS N N 20 117.776 117.776 120.881 -3.105 25411 17619 1 33 . 1 1 20 20 LYS HA H 20 3.955 3.955 3.995 -0.040 25411 17620 1 33 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.900 -0.356 25411 17621 1 33 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.334 -1.848 25411 17622 1 33 . 1 1 20 20 LYS H H 20 8.340 8.340 7.958 0.382 25411 17623 1 33 . 1 1 21 21 THR N N 21 116.373 116.373 111.059 5.314 25411 17624 1 33 . 1 1 21 21 THR HA H 21 4.107 4.107 4.204 -0.097 25411 17625 1 33 . 1 1 21 21 THR CA C 21 64.611 64.611 64.243 0.368 25411 17626 1 33 . 1 1 21 21 THR CB C 21 68.811 68.811 68.552 0.259 25411 17627 1 33 . 1 1 21 21 THR H H 21 7.302 7.302 7.835 -0.533 25411 17628 1 33 . 1 1 22 22 ARG N N 22 118.647 118.647 119.769 -1.122 25411 17629 1 33 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.415 -0.053 25411 17630 1 33 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.697 -1.632 25411 17631 1 33 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.028 -1.500 25411 17632 1 33 . 1 1 22 22 ARG H H 22 7.290 7.290 7.510 -0.220 25411 17633 1 33 . 1 1 23 23 GLY N N 23 108.637 108.637 107.348 1.289 25411 17634 1 33 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.666 0.446 25411 17635 1 33 . 1 1 23 23 GLY H H 23 7.881 7.881 7.657 0.224 25411 17636 1 33 . 1 1 24 24 VAL N N 24 117.390 117.390 120.009 -2.619 25411 17637 1 33 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.886 0.128 25411 17638 1 33 . 1 1 24 24 VAL CA C 24 61.668 61.668 63.719 -2.051 25411 17639 1 33 . 1 1 24 24 VAL CB C 24 32.372 32.372 31.128 1.244 25411 17640 1 33 . 1 1 24 24 VAL H H 24 7.333 7.333 7.771 -0.438 25411 17641 1 33 . 1 1 25 25 LYS N N 25 127.322 127.322 115.619 11.703 25411 17642 1 33 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.849 0.483 25411 17643 1 33 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.238 -1.476 25411 17644 1 33 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.591 0.170 25411 17645 1 33 . 1 1 25 25 LYS H H 25 8.722 8.722 7.592 1.130 25411 17646 1 33 . 1 1 26 26 VAL N N 26 120.568 120.568 120.542 0.026 25411 17647 1 33 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.151 -0.073 25411 17648 1 33 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.247 -0.582 25411 17649 1 33 . 1 1 26 26 VAL CB C 26 33.647 33.647 32.987 0.660 25411 17650 1 33 . 1 1 26 26 VAL H H 26 7.119 7.119 8.171 -1.052 25411 17651 1 33 . 1 1 27 27 LYS N N 27 125.675 125.675 127.227 -1.552 25411 17652 1 33 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.304 0.022 25411 17653 1 33 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.310 0.101 25411 17654 1 33 . 1 1 27 27 LYS CB C 27 31.959 31.959 35.815 -3.856 25411 17655 1 33 . 1 1 27 27 LYS H H 27 8.570 8.570 7.937 0.633 25411 17656 1 33 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.469 -0.452 25411 17657 1 33 . 1 1 28 28 TYR CA C 28 56.412 56.412 59.056 -2.644 25411 17658 1 33 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.844 1.996 25411 17659 1 33 . 1 1 29 29 ALA N N 29 120.743 120.743 128.400 -7.657 25411 17660 1 33 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.132 -0.464 25411 17661 1 33 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.140 -0.462 25411 17662 1 33 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.727 -0.728 25411 17663 1 33 . 1 1 29 29 ALA H H 29 8.323 8.323 8.797 -0.474 25411 17664 1 33 . 1 1 30 30 ASP N N 30 117.202 117.202 119.080 -1.878 25411 17665 1 33 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.340 -0.059 25411 17666 1 33 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.579 -0.026 25411 17667 1 33 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.284 0.523 25411 17668 1 33 . 1 1 30 30 ASP H H 30 6.872 6.872 8.680 -1.808 25411 17669 1 33 . 1 1 31 31 LEU N N 31 122.273 122.273 119.913 2.360 25411 17670 1 33 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.468 -0.922 25411 17671 1 33 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.696 0.029 25411 17672 1 33 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.533 -1.875 25411 17673 1 33 . 1 1 31 31 LEU H H 31 7.433 7.433 7.869 -0.436 25411 17674 1 33 . 1 1 32 32 LEU N N 32 123.376 123.376 118.145 5.231 25411 17675 1 33 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.157 -0.542 25411 17676 1 33 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.128 -0.032 25411 17677 1 33 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.785 -1.243 25411 17678 1 33 . 1 1 32 32 LEU H H 32 8.727 8.727 7.840 0.887 25411 17679 1 33 . 1 1 33 33 LYS N N 33 118.078 118.078 120.835 -2.757 25411 17680 1 33 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.626 -0.413 25411 17681 1 33 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.179 -0.082 25411 17682 1 33 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.209 -0.319 25411 17683 1 33 . 1 1 33 33 LYS H H 33 7.149 7.149 7.539 -0.390 25411 17684 1 33 . 1 1 34 34 PHE N N 34 117.398 117.398 121.255 -3.857 25411 17685 1 33 . 1 1 34 34 PHE CA C 34 56.695 56.695 60.437 -3.742 25411 17686 1 33 . 1 1 34 34 PHE CB C 34 41.219 41.219 38.814 2.405 25411 17687 1 33 . 1 1 34 34 PHE H H 34 7.633 7.633 8.423 -0.790 25411 17688 1 33 . 1 1 35 35 PHE HA H 35 3.793 3.793 3.837 -0.044 25411 17689 1 33 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.956 -0.364 25411 17690 1 33 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.381 -2.367 25411 17691 1 33 . 1 1 36 36 ASP N N 36 120.136 120.136 119.050 1.086 25411 17692 1 33 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.450 -0.354 25411 17693 1 33 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.088 -0.147 25411 17694 1 33 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.330 -1.226 25411 17695 1 33 . 1 1 36 36 ASP H H 36 8.330 8.330 8.940 -0.610 25411 17696 1 33 . 1 1 37 37 PHE N N 37 121.883 121.883 120.829 1.054 25411 17697 1 33 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.560 -0.302 25411 17698 1 33 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.140 -1.442 25411 17699 1 33 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.582 0.603 25411 17700 1 33 . 1 1 37 37 PHE H H 37 7.794 7.794 8.248 -0.454 25411 17701 1 33 . 1 1 38 38 VAL N N 38 118.525 118.525 118.826 -0.301 25411 17702 1 33 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.504 -0.465 25411 17703 1 33 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.006 0.876 25411 17704 1 33 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.058 -0.370 25411 17705 1 33 . 1 1 38 38 VAL H H 38 8.262 8.262 7.814 0.448 25411 17706 1 33 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.903 -0.447 25411 17707 1 33 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.776 -0.723 25411 17708 1 33 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.926 -0.230 25411 17709 1 33 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.538 -0.093 25411 17710 1 33 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.609 0.376 25411 17711 1 33 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.202 -0.510 25411 17712 1 33 . 1 1 41 41 ILE N N 41 120.641 120.641 119.921 0.720 25411 17713 1 33 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.910 0.115 25411 17714 1 33 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.829 -3.177 25411 17715 1 33 . 1 1 41 41 ILE CB C 41 38.064 38.064 39.057 -0.993 25411 17716 1 33 . 1 1 41 41 ILE H H 41 8.788 8.788 7.867 0.921 25411 17717 1 33 . 1 1 42 42 CYS N N 42 117.896 117.896 115.833 2.063 25411 17718 1 33 . 1 1 42 42 CYS CA C 42 56.172 56.172 56.169 0.003 25411 17719 1 33 . 1 1 42 42 CYS CB C 42 28.324 28.324 28.746 -0.422 25411 17720 1 33 . 1 1 42 42 CYS H H 42 7.180 7.180 7.489 -0.309 25411 17721 1 33 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.401 -0.086 25411 17722 1 33 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.723 0.280 25411 17723 1 33 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.814 -1.099 25411 17724 1 33 . 1 1 44 44 TRP N N 44 113.823 113.823 117.552 -3.729 25411 17725 1 33 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.369 -0.064 25411 17726 1 33 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.426 -2.028 25411 17727 1 33 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.886 -2.075 25411 17728 1 33 . 1 1 44 44 TRP H H 44 6.591 6.591 7.925 -1.334 25411 17729 1 33 . 1 1 45 45 PHE N N 45 123.100 123.100 116.834 6.266 25411 17730 1 33 . 1 1 45 45 PHE HA H 45 4.001 4.001 4.996 -0.995 25411 17731 1 33 . 1 1 45 45 PHE CA C 45 62.809 62.809 55.452 7.357 25411 17732 1 33 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.381 -3.446 25411 17733 1 33 . 1 1 45 45 PHE H H 45 7.239 7.239 7.667 -0.428 25411 17734 1 33 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.220 -0.208 25411 17735 1 33 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.839 -0.308 25411 17736 1 33 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.459 -0.972 25411 17737 1 33 . 1 1 47 47 GLN N N 47 114.502 114.502 117.285 -2.783 25411 17738 1 33 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.055 -0.118 25411 17739 1 33 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.086 0.318 25411 17740 1 33 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.481 0.839 25411 17741 1 33 . 1 1 47 47 GLN H H 47 6.518 6.518 8.683 -2.165 25411 17742 1 33 . 1 1 48 48 GLU N N 48 117.358 117.358 118.317 -0.959 25411 17743 1 33 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.227 -0.189 25411 17744 1 33 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.344 1.828 25411 17745 1 33 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.227 -1.274 25411 17746 1 33 . 1 1 48 48 GLU H H 48 7.318 7.318 7.767 -0.449 25411 17747 1 33 . 1 1 49 49 GLY N N 49 105.534 105.534 107.596 -2.062 25411 17748 1 33 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.803 1.500 25411 17749 1 33 . 1 1 49 49 GLY H H 49 7.296 7.296 7.658 -0.362 25411 17750 1 33 . 1 1 50 50 THR N N 50 114.069 114.069 113.332 0.737 25411 17751 1 33 . 1 1 50 50 THR HA H 50 4.234 4.234 4.213 0.021 25411 17752 1 33 . 1 1 50 50 THR CA C 50 61.683 61.683 61.441 0.242 25411 17753 1 33 . 1 1 50 50 THR CB C 50 70.718 70.718 70.036 0.682 25411 17754 1 33 . 1 1 50 50 THR H H 50 7.597 7.597 7.659 -0.062 25411 17755 1 33 . 1 1 51 51 ILE HA H 51 4.125 4.125 3.975 0.149 25411 17756 1 33 . 1 1 51 51 ILE CA C 51 59.870 59.870 62.523 -2.653 25411 17757 1 33 . 1 1 51 51 ILE CB C 51 35.288 35.288 38.876 -3.588 25411 17758 1 33 . 1 1 52 52 ASP N N 52 121.791 121.791 127.262 -5.471 25411 17759 1 33 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.809 -0.186 25411 17760 1 33 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.595 -0.863 25411 17761 1 33 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.731 -2.270 25411 17762 1 33 . 1 1 52 52 ASP H H 52 7.168 7.168 7.976 -0.808 25411 17763 1 33 . 1 1 53 53 ILE N N 53 119.537 119.537 119.078 0.459 25411 17764 1 33 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.465 -0.330 25411 17765 1 33 . 1 1 53 53 ILE CA C 53 61.796 61.796 61.723 0.073 25411 17766 1 33 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.928 -2.113 25411 17767 1 33 . 1 1 53 53 ILE H H 53 8.336 8.336 8.379 -0.043 25411 17768 1 33 . 1 1 54 54 LYS N N 54 123.592 123.592 122.066 1.526 25411 17769 1 33 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.057 0.048 25411 17770 1 33 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.155 -0.183 25411 17771 1 33 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.299 -0.551 25411 17772 1 33 . 1 1 54 54 LYS H H 54 8.104 8.104 7.960 0.144 25411 17773 1 33 . 1 1 55 55 ARG N N 55 120.511 120.511 118.695 1.816 25411 17774 1 33 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.082 0.219 25411 17775 1 33 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.380 0.523 25411 17776 1 33 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.216 -0.160 25411 17777 1 33 . 1 1 55 55 ARG H H 55 9.196 9.196 8.850 0.346 25411 17778 1 33 . 1 1 56 56 TRP N N 56 120.681 120.681 121.523 -0.842 25411 17779 1 33 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.748 -0.045 25411 17780 1 33 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.985 -1.579 25411 17781 1 33 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.211 0.803 25411 17782 1 33 . 1 1 56 56 TRP H H 56 8.899 8.899 8.059 0.840 25411 17783 1 33 . 1 1 57 57 ARG N N 57 122.115 122.115 119.025 3.090 25411 17784 1 33 . 1 1 57 57 ARG HA H 57 4.407 4.407 4.203 0.204 25411 17785 1 33 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.534 0.493 25411 17786 1 33 . 1 1 57 57 ARG CB C 57 29.786 29.786 30.035 -0.249 25411 17787 1 33 . 1 1 57 57 ARG H H 57 9.210 9.210 8.455 0.755 25411 17788 1 33 . 1 1 58 58 ARG N N 58 120.918 120.918 119.803 1.115 25411 17789 1 33 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.466 0.379 25411 17790 1 33 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.001 -0.272 25411 17791 1 33 . 1 1 58 58 ARG H H 58 7.640 7.640 7.759 -0.119 25411 17792 1 33 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.716 0.048 25411 17793 1 33 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.331 0.670 25411 17794 1 33 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.115 -0.283 25411 17795 1 33 . 1 1 59 59 VAL H H 59 7.916 7.916 7.733 0.183 25411 17796 1 33 . 1 1 60 60 GLY N N 60 106.856 106.856 107.863 -1.007 25411 17797 1 33 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.373 -1.292 25411 17798 1 33 . 1 1 60 60 GLY H H 60 7.623 7.623 8.389 -0.766 25411 17799 1 33 . 1 1 61 61 ASP N N 61 123.308 123.308 122.433 0.875 25411 17800 1 33 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.915 -0.690 25411 17801 1 33 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.147 -0.347 25411 17802 1 33 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.839 -1.355 25411 17803 1 33 . 1 1 61 61 ASP H H 61 8.203 8.203 8.170 0.033 25411 17804 1 33 . 1 1 62 62 CYS N N 62 120.841 120.841 118.735 2.106 25411 17805 1 33 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.047 0.191 25411 17806 1 33 . 1 1 62 62 CYS CA C 62 62.950 62.950 63.936 -0.986 25411 17807 1 33 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.759 -0.256 25411 17808 1 33 . 1 1 62 62 CYS H H 62 7.795 7.795 7.516 0.279 25411 17809 1 33 . 1 1 63 63 PHE N N 63 119.763 119.763 118.799 0.964 25411 17810 1 33 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.275 0.003 25411 17811 1 33 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.219 -2.562 25411 17812 1 33 . 1 1 63 63 PHE CB C 63 36.990 36.990 38.114 -1.125 25411 17813 1 33 . 1 1 63 63 PHE H H 63 8.647 8.647 7.530 1.117 25411 17814 1 33 . 1 1 64 64 GLN N N 64 118.578 118.578 119.489 -0.911 25411 17815 1 33 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.081 0.227 25411 17816 1 33 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.433 0.900 25411 17817 1 33 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.024 0.555 25411 17818 1 33 . 1 1 64 64 GLN H H 64 8.261 8.261 8.621 -0.360 25411 17819 1 33 . 1 1 65 65 ASP N N 65 119.534 119.534 121.786 -2.252 25411 17820 1 33 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.472 0.012 25411 17821 1 33 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.077 0.252 25411 17822 1 33 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.840 -1.169 25411 17823 1 33 . 1 1 65 65 ASP H H 65 8.338 8.338 8.496 -0.158 25411 17824 1 33 . 1 1 66 66 TYR N N 66 123.600 123.600 122.085 1.515 25411 17825 1 33 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.952 0.550 25411 17826 1 33 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.145 -0.914 25411 17827 1 33 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.526 -0.094 25411 17828 1 33 . 1 1 66 66 TYR H H 66 7.804 7.804 8.447 -0.643 25411 17829 1 33 . 1 1 67 67 TYR N N 67 122.825 122.825 118.047 4.778 25411 17830 1 33 . 1 1 67 67 TYR HA H 67 3.997 3.997 4.197 -0.200 25411 17831 1 33 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.973 -0.070 25411 17832 1 33 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.713 0.233 25411 17833 1 33 . 1 1 67 67 TYR H H 67 9.100 9.100 8.134 0.966 25411 17834 1 33 . 1 1 68 68 ASN N N 68 118.826 118.826 117.099 1.727 25411 17835 1 33 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.435 -0.152 25411 17836 1 33 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.969 -0.537 25411 17837 1 33 . 1 1 68 68 ASN CB C 68 37.876 37.876 37.821 0.055 25411 17838 1 33 . 1 1 68 68 ASN H H 68 8.853 8.853 8.674 0.179 25411 17839 1 33 . 1 1 69 69 THR N N 69 114.242 114.242 115.561 -1.319 25411 17840 1 33 . 1 1 69 69 THR HA H 69 3.837 3.837 4.074 -0.237 25411 17841 1 33 . 1 1 69 69 THR CA C 69 65.328 65.328 65.357 -0.029 25411 17842 1 33 . 1 1 69 69 THR CB C 69 69.249 69.249 68.163 1.086 25411 17843 1 33 . 1 1 69 69 THR H H 69 7.847 7.847 8.161 -0.314 25411 17844 1 33 . 1 1 70 70 PHE N N 70 117.970 117.970 118.234 -0.264 25411 17845 1 33 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.396 0.168 25411 17846 1 33 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.126 0.116 25411 17847 1 33 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.375 2.699 25411 17848 1 33 . 1 1 70 70 PHE H H 70 8.489 8.489 7.171 1.318 25411 17849 1 33 . 1 1 71 71 GLY N N 71 109.516 109.516 108.028 1.488 25411 17850 1 33 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.899 0.133 25411 17851 1 33 . 1 1 71 71 GLY H H 71 7.968 7.968 7.603 0.365 25411 17852 1 33 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.448 0.263 25411 17853 1 33 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.111 1.186 25411 17854 1 33 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.559 0.185 25411 17855 1 33 . 1 1 73 73 GLU N N 73 117.720 117.720 125.954 -8.234 25411 17856 1 33 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.105 -0.206 25411 17857 1 33 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.166 0.570 25411 17858 1 33 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.526 -0.663 25411 17859 1 33 . 1 1 73 73 GLU H H 73 8.586 8.586 8.528 0.058 25411 17860 1 33 . 1 1 74 74 LYS N N 74 116.974 116.974 118.290 -1.316 25411 17861 1 33 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.264 0.125 25411 17862 1 33 . 1 1 74 74 LYS CA C 74 55.185 55.185 55.510 -0.325 25411 17863 1 33 . 1 1 74 74 LYS CB C 74 34.087 34.087 31.325 2.762 25411 17864 1 33 . 1 1 74 74 LYS H H 74 7.505 7.505 7.933 -0.428 25411 17865 1 33 . 1 1 75 75 VAL N N 75 117.309 117.309 123.273 -5.964 25411 17866 1 33 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.170 0.143 25411 17867 1 33 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.315 1.730 25411 17868 1 33 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.070 -0.086 25411 17869 1 33 . 1 1 75 75 VAL H H 75 7.402 7.402 7.390 0.012 25411 17870 1 33 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.561 0.001 25411 17871 1 33 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.530 -0.843 25411 17872 1 33 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.546 -0.815 25411 17873 1 33 . 1 1 77 77 VAL N N 77 120.870 120.870 121.285 -0.415 25411 17874 1 33 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.179 -0.351 25411 17875 1 33 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.177 1.661 25411 17876 1 33 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.872 -0.485 25411 17877 1 33 . 1 1 77 77 VAL H H 77 8.473 8.473 8.820 -0.347 25411 17878 1 33 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.852 -0.000 25411 17879 1 33 . 1 1 78 78 ILE CA C 78 61.125 61.125 63.528 -2.403 25411 17880 1 33 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.883 0.251 25411 17881 1 33 . 1 1 78 78 ILE H H 78 8.388 8.388 7.825 0.563 25411 17882 1 33 . 1 1 79 79 ALA N N 79 123.960 123.960 122.254 1.706 25411 17883 1 33 . 1 1 79 79 ALA HA H 79 3.890 3.890 3.944 -0.054 25411 17884 1 33 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.234 0.655 25411 17885 1 33 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.471 -0.848 25411 17886 1 33 . 1 1 79 79 ALA H H 79 7.953 7.953 7.762 0.191 25411 17887 1 33 . 1 1 80 80 PHE N N 80 114.330 114.330 114.376 -0.046 25411 17888 1 33 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.482 -0.051 25411 17889 1 33 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.489 1.823 25411 17890 1 33 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.201 -1.545 25411 17891 1 33 . 1 1 80 80 PHE H H 80 7.499 7.499 8.048 -0.549 25411 17892 1 33 . 1 1 81 81 SER N N 81 115.971 115.971 114.011 1.960 25411 17893 1 33 . 1 1 81 81 SER HA H 81 4.206 4.206 4.451 -0.245 25411 17894 1 33 . 1 1 81 81 SER CA C 81 58.432 58.432 59.666 -1.234 25411 17895 1 33 . 1 1 81 81 SER CB C 81 63.575 63.575 63.341 0.234 25411 17896 1 33 . 1 1 81 81 SER H H 81 8.225 8.225 7.426 0.799 25411 17897 1 33 . 1 1 82 82 TYR N N 82 121.997 121.997 122.843 -0.846 25411 17898 1 33 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.164 0.283 25411 17899 1 33 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.317 -4.432 25411 17900 1 33 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.459 -0.621 25411 17901 1 33 . 1 1 82 82 TYR H H 82 8.378 8.378 7.497 0.881 25411 17902 1 33 . 1 1 83 83 TRP N N 83 120.268 120.268 118.625 1.643 25411 17903 1 33 . 1 1 83 83 TRP CA C 83 57.393 57.393 61.150 -3.757 25411 17904 1 33 . 1 1 83 83 TRP CB C 83 28.894 28.894 28.596 0.297 25411 17905 1 33 . 1 1 83 83 TRP H H 83 8.546 8.546 8.587 -0.041 25411 17906 1 33 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.481 -0.261 25411 17907 1 33 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.772 -0.143 25411 17908 1 33 . 1 1 84 84 ASN CB C 84 39.065 39.065 38.417 0.648 25411 17909 1 33 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.023 0.023 25411 17910 1 33 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.089 1.053 25411 17911 1 33 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.700 -0.008 25411 17912 1 33 . 1 1 86 86 ILE N N 86 117.000 117.000 120.304 -3.304 25411 17913 1 33 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.509 -0.063 25411 17914 1 33 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.562 -2.279 25411 17915 1 33 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.048 -1.636 25411 17916 1 33 . 1 1 86 86 ILE H H 86 7.882 7.882 7.763 0.119 25411 17917 1 33 . 1 1 87 87 LYS HA H 87 3.226 3.226 4.059 -0.833 25411 17918 1 33 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.376 0.620 25411 17919 1 33 . 1 1 87 87 LYS CB C 87 31.050 31.050 32.274 -1.224 25411 17920 1 33 . 1 1 88 88 GLU N N 88 116.404 116.404 117.316 -0.912 25411 17921 1 33 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.381 -0.534 25411 17922 1 33 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.340 0.571 25411 17923 1 33 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.113 -0.144 25411 17924 1 33 . 1 1 88 88 GLU H H 88 7.689 7.689 7.803 -0.114 25411 17925 1 33 . 1 1 89 89 LEU N N 89 118.193 118.193 121.497 -3.304 25411 17926 1 33 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.090 -0.201 25411 17927 1 33 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.668 1.295 25411 17928 1 33 . 1 1 89 89 LEU CB C 89 41.300 41.300 41.972 -0.672 25411 17929 1 33 . 1 1 89 89 LEU H H 89 7.415 7.415 7.712 -0.297 25411 17930 1 33 . 1 1 90 90 ILE N N 90 115.471 115.471 120.877 -5.406 25411 17931 1 33 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.624 -0.206 25411 17932 1 33 . 1 1 90 90 ILE CA C 90 64.908 64.908 63.968 0.940 25411 17933 1 33 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.786 -0.192 25411 17934 1 33 . 1 1 90 90 ILE H H 90 7.718 7.718 7.733 -0.015 25411 17935 1 33 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.409 -0.689 25411 17936 1 33 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.855 0.809 25411 17937 1 33 . 1 1 91 91 ASP CB C 91 40.532 40.532 39.898 0.634 25411 17938 1 33 . 1 1 92 92 LYS N N 92 119.253 119.253 119.313 -0.060 25411 17939 1 33 . 1 1 92 92 LYS CA C 92 58.897 58.897 57.893 1.004 25411 17940 1 33 . 1 1 92 92 LYS CB C 92 31.988 31.988 31.798 0.190 25411 17941 1 33 . 1 1 92 92 LYS H H 92 7.869 7.869 7.420 0.449 25411 17942 1 33 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.971 0.560 25411 17943 1 33 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.982 -3.724 25411 17944 1 33 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.076 0.093 25411 17945 1 33 . 1 1 94 94 GLU N N 94 116.729 116.729 117.824 -1.095 25411 17946 1 33 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.111 0.022 25411 17947 1 33 . 1 1 94 94 GLU CA C 94 59.319 59.319 58.997 0.322 25411 17948 1 33 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.803 -2.428 25411 17949 1 33 . 1 1 94 94 GLU H H 94 8.393 8.393 7.961 0.432 25411 17950 1 33 . 1 1 95 95 VAL N N 95 121.696 121.696 116.073 5.623 25411 17951 1 33 . 1 1 95 95 VAL HA H 95 4.482 4.482 4.085 0.397 25411 17952 1 33 . 1 1 95 95 VAL CA C 95 66.721 66.721 62.909 3.812 25411 17953 1 33 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.721 1.173 25411 17954 1 33 . 1 1 95 95 VAL H H 95 7.923 7.923 8.112 -0.189 25411 17955 1 33 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.374 -0.016 25411 17956 1 33 . 1 1 97 97 PRO CA C 97 62.607 62.607 63.698 -1.091 25411 17957 1 33 . 1 1 97 97 PRO CB C 97 31.874 31.874 31.232 0.642 25411 17958 1 33 . 1 1 98 98 GLN N N 98 117.731 117.731 120.384 -2.653 25411 17959 1 33 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.001 -0.076 25411 17960 1 33 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.877 -0.269 25411 17961 1 33 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.883 0.638 25411 17962 1 33 . 1 1 98 98 GLN H H 98 8.359 8.359 8.190 0.169 25411 17963 1 33 . 1 1 99 99 VAL N N 99 121.326 121.326 118.462 2.864 25411 17964 1 33 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.735 -0.315 25411 17965 1 33 . 1 1 99 99 VAL CA C 99 66.404 66.404 66.293 0.111 25411 17966 1 33 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.575 0.045 25411 17967 1 33 . 1 1 99 99 VAL H H 99 7.901 7.901 7.444 0.457 25411 17968 1 33 . 1 1 100 100 MET N N 100 120.447 120.447 115.787 4.660 25411 17969 1 33 . 1 1 100 100 MET HA H 100 3.812 3.812 4.365 -0.553 25411 17970 1 33 . 1 1 100 100 MET CA C 100 59.297 59.297 57.936 1.361 25411 17971 1 33 . 1 1 100 100 MET CB C 100 32.099 32.099 33.195 -1.096 25411 17972 1 33 . 1 1 100 100 MET H H 100 7.509 7.509 8.061 -0.552 25411 17973 1 33 . 1 1 101 101 ALA N N 101 119.458 119.458 121.127 -1.669 25411 17974 1 33 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.266 -0.056 25411 17975 1 33 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.276 0.476 25411 17976 1 33 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.653 -1.132 25411 17977 1 33 . 1 1 101 101 ALA H H 101 7.889 7.889 7.524 0.365 25411 17978 1 33 . 1 1 102 102 ALA N N 102 119.627 119.627 121.131 -1.504 25411 17979 1 33 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.279 -0.286 25411 17980 1 33 . 1 1 102 102 ALA CA C 102 54.888 54.888 53.901 0.987 25411 17981 1 33 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.484 -1.140 25411 17982 1 33 . 1 1 102 102 ALA H H 102 7.563 7.563 8.452 -0.889 25411 17983 1 33 . 1 1 103 103 VAL N N 103 122.690 122.690 118.925 3.765 25411 17984 1 33 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.813 0.260 25411 17985 1 33 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.486 -3.801 25411 17986 1 33 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.699 1.523 25411 17987 1 33 . 1 1 103 103 VAL H H 103 8.828 8.828 7.560 1.268 25411 17988 1 33 . 1 1 104 104 ALA N N 104 128.041 128.041 118.103 9.938 25411 17989 1 33 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.177 0.092 25411 17990 1 33 . 1 1 104 104 ALA CA C 104 52.141 52.141 53.667 -1.526 25411 17991 1 33 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.084 0.856 25411 17992 1 33 . 1 1 104 104 ALA H H 104 8.367 8.367 7.430 0.937 25411 17993 1 33 . 1 1 105 105 GLN N N 105 120.265 120.265 114.714 5.551 25411 17994 1 33 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.445 0.486 25411 17995 1 33 . 1 1 105 105 GLN CB C 105 29.020 29.020 31.373 -2.353 25411 17996 1 33 . 1 1 105 105 GLN H H 105 8.356 8.356 7.757 0.599 25411 17997 1 33 . 1 1 106 106 THR HA H 106 4.320 4.320 3.044 1.276 25411 17998 1 33 . 1 1 106 106 THR CA C 106 61.346 61.346 64.751 -3.405 25411 17999 1 33 . 1 1 106 106 THR CB C 106 69.293 69.293 68.950 0.343 25411 18000 1 33 . 1 1 107 107 GLU N N 107 122.706 122.706 119.512 3.194 25411 18001 1 33 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.496 -0.314 25411 18002 1 33 . 1 1 107 107 GLU CA C 107 56.576 56.576 56.666 -0.090 25411 18003 1 33 . 1 1 107 107 GLU CB C 107 29.936 29.936 33.080 -3.144 25411 18004 1 33 . 1 1 107 107 GLU H H 107 8.404 8.404 7.538 0.866 25411 18005 1 33 . 1 1 108 108 GLU N N 108 122.034 122.034 117.112 4.922 25411 18006 1 33 . 1 1 108 108 GLU HA H 108 4.161 4.161 3.919 0.242 25411 18007 1 33 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.228 -0.579 25411 18008 1 33 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.690 -0.014 25411 18009 1 33 . 1 1 108 108 GLU H H 108 7.341 7.341 8.113 -0.772 25411 18010 1 33 . 1 1 109 109 ILE N N 109 122.151 122.151 115.452 6.699 25411 18011 1 33 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.305 -0.258 25411 18012 1 33 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.689 -1.124 25411 18013 1 33 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.202 -0.098 25411 18014 1 33 . 1 1 109 109 ILE H H 109 8.058 8.058 8.563 -0.505 25411 18015 1 33 . 1 1 110 110 LEU N N 110 122.427 122.427 121.778 0.649 25411 18016 1 33 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.052 0.224 25411 18017 1 33 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.803 -1.652 25411 18018 1 33 . 1 1 110 110 LEU CB C 110 32.255 32.255 41.101 -8.846 25411 18019 1 33 . 1 1 110 110 LEU H H 110 8.194 8.194 7.957 0.237 25411 18020 1 33 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.158 0.089 25411 18021 1 33 . 1 1 111 111 LYS CA C 111 56.137 56.137 57.801 -1.664 25411 18022 1 33 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.401 0.168 25411 18023 1 33 . 1 1 112 112 SER N N 112 116.453 116.453 113.599 2.854 25411 18024 1 33 . 1 1 112 112 SER HA H 112 4.175 4.175 4.066 0.109 25411 18025 1 33 . 1 1 112 112 SER CA C 112 58.311 58.311 60.642 -2.331 25411 18026 1 33 . 1 1 112 112 SER CB C 112 63.441 63.441 62.514 0.927 25411 18027 1 33 . 1 1 112 112 SER H H 112 8.204 8.204 8.191 0.013 25411 18028 1 33 . 1 1 113 113 ASN N N 113 119.747 119.747 115.870 3.877 25411 18029 1 33 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.847 -0.203 25411 18030 1 33 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.828 0.817 25411 18031 1 33 . 1 1 113 113 ASN CB C 113 38.646 38.646 39.091 -0.445 25411 18032 1 33 . 1 1 113 113 ASN H H 113 7.944 7.944 7.882 0.062 25411 18033 1 33 . 1 1 114 114 SER N N 114 115.433 115.433 114.928 0.505 25411 18034 1 33 . 1 1 114 114 SER HA H 114 4.336 4.336 4.489 -0.153 25411 18035 1 33 . 1 1 114 114 SER CA C 114 58.711 58.711 59.132 -0.421 25411 18036 1 33 . 1 1 114 114 SER CB C 114 63.308 63.308 62.248 1.060 25411 18037 1 33 . 1 1 114 114 SER H H 114 7.962 7.962 8.585 -0.623 25411 18038 1 33 . 1 1 115 115 GLN N N 115 121.682 121.682 120.222 1.460 25411 18039 1 33 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.532 -0.258 25411 18040 1 33 . 1 1 115 115 GLN CA C 115 56.193 56.193 54.357 1.836 25411 18041 1 33 . 1 1 115 115 GLN CB C 115 28.807 28.807 32.358 -3.550 25411 18042 1 33 . 1 1 115 115 GLN H H 115 8.207 8.207 8.138 0.069 25411 18043 1 33 . 1 1 116 116 THR N N 116 114.715 114.715 111.707 3.008 25411 18044 1 33 . 1 1 116 116 THR HA H 116 4.225 4.225 4.686 -0.461 25411 18045 1 33 . 1 1 116 116 THR CA C 116 62.109 62.109 59.650 2.459 25411 18046 1 33 . 1 1 116 116 THR CB C 116 69.336 69.336 71.807 -2.471 25411 18047 1 33 . 1 1 116 116 THR H H 116 8.062 8.062 7.756 0.306 25411 18048 1 33 . 1 1 117 117 ASP N N 117 122.602 122.602 122.208 0.394 25411 18049 1 33 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.303 0.265 25411 18050 1 33 . 1 1 117 117 ASP CA C 117 54.204 54.204 57.029 -2.825 25411 18051 1 33 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.068 0.597 25411 18052 1 33 . 1 1 117 117 ASP H H 117 8.065 8.065 8.754 -0.689 25411 18053 1 33 . 1 1 118 118 LEU N N 118 122.140 122.140 120.217 1.923 25411 18054 1 33 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.299 -0.144 25411 18055 1 33 . 1 1 118 118 LEU CA C 118 55.423 55.423 54.001 1.422 25411 18056 1 33 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.690 0.183 25411 18057 1 33 . 1 1 118 118 LEU H H 118 8.085 8.085 7.564 0.521 25411 18058 1 33 . 1 1 119 119 GLU N N 119 119.672 119.672 116.855 2.817 25411 18059 1 33 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.726 0.342 25411 18060 1 33 . 1 1 119 119 GLU CA C 119 56.565 56.565 56.891 -0.326 25411 18061 1 33 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.766 1.806 25411 18062 1 33 . 1 1 119 119 GLU H H 119 8.143 8.143 7.558 0.585 25411 18063 1 33 . 1 1 120 120 HIS N N 120 118.301 118.301 116.865 1.436 25411 18064 1 33 . 1 1 120 120 HIS CA C 120 55.883 55.883 58.064 -2.181 25411 18065 1 33 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.342 -0.072 25411 18066 1 33 . 1 1 120 120 HIS H H 120 8.107 8.107 8.054 0.053 25411 18067 1 33 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.912 -0.904 25411 18068 1 33 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.815 -0.649 25411 18069 1 33 . 1 1 121 121 HIS CB C 121 28.759 28.759 31.278 -2.519 25411 18070 1 33 . 1 1 122 122 HIS N N 122 122.407 122.407 117.677 4.730 25411 18071 1 33 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.757 -0.539 25411 18072 1 33 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.006 2.075 25411 18073 1 33 . 1 1 122 122 HIS CB C 122 29.371 29.371 33.178 -3.807 25411 18074 1 33 . 1 1 122 122 HIS H H 122 8.489 8.489 8.068 0.421 25411 18075 1 33 . 1 1 123 123 HIS N N 123 122.868 122.868 118.279 4.589 25411 18076 1 33 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.238 0.149 25411 18077 1 33 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.031 -0.721 25411 18078 1 33 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.557 -0.055 25411 18079 1 33 . 1 1 123 123 HIS H H 123 8.596 8.596 8.244 0.352 25411 18080 1 33 . 1 1 124 124 HIS N N 124 123.734 123.734 119.569 4.165 25411 18081 1 33 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.881 -0.324 25411 18082 1 33 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.059 1.326 25411 18083 1 33 . 1 1 124 124 HIS CB C 124 29.358 29.358 29.211 0.147 25411 18084 1 33 . 1 1 124 124 HIS H H 124 8.255 8.255 8.226 0.029 25411 18085 1 34 . 1 1 3 3 GLN N N 3 122.360 122.360 120.935 1.425 25411 18086 1 34 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.296 -0.408 25411 18087 1 34 . 1 1 3 3 GLN CA C 3 58.742 58.742 57.418 1.324 25411 18088 1 34 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.802 -0.419 25411 18089 1 34 . 1 1 3 3 GLN H H 3 9.398 9.398 8.646 0.752 25411 18090 1 34 . 1 1 4 4 GLU N N 4 119.689 119.689 120.175 -0.486 25411 18091 1 34 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.137 0.537 25411 18092 1 34 . 1 1 4 4 GLU CA C 4 57.807 57.807 58.369 -0.562 25411 18093 1 34 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.911 -0.211 25411 18094 1 34 . 1 1 4 4 GLU H H 4 7.464 7.464 8.897 -1.433 25411 18095 1 34 . 1 1 5 5 LEU N N 5 114.872 114.872 122.383 -7.511 25411 18096 1 34 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.140 -0.439 25411 18097 1 34 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.152 -0.414 25411 18098 1 34 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.989 -1.174 25411 18099 1 34 . 1 1 5 5 LEU H H 5 8.206 8.206 7.650 0.556 25411 18100 1 34 . 1 1 6 6 SER N N 6 109.762 109.762 112.856 -3.094 25411 18101 1 34 . 1 1 6 6 SER HA H 6 4.092 4.092 4.122 -0.030 25411 18102 1 34 . 1 1 6 6 SER CA C 6 60.415 60.415 61.791 -1.376 25411 18103 1 34 . 1 1 6 6 SER CB C 6 63.391 63.391 62.675 0.716 25411 18104 1 34 . 1 1 6 6 SER H H 6 8.253 8.253 8.284 -0.031 25411 18105 1 34 . 1 1 7 7 GLN N N 7 117.498 117.498 122.779 -5.281 25411 18106 1 34 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.136 -0.181 25411 18107 1 34 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.791 -0.366 25411 18108 1 34 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.642 0.097 25411 18109 1 34 . 1 1 7 7 GLN H H 7 8.673 8.673 8.015 0.658 25411 18110 1 34 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.218 -0.421 25411 18111 1 34 . 1 1 8 8 HIS CA C 8 59.055 59.055 60.092 -1.037 25411 18112 1 34 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.056 -0.947 25411 18113 1 34 . 1 1 9 9 GLU N N 9 120.354 120.354 119.669 0.685 25411 18114 1 34 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.080 -0.121 25411 18115 1 34 . 1 1 9 9 GLU CA C 9 60.258 60.258 60.010 0.248 25411 18116 1 34 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.545 -0.318 25411 18117 1 34 . 1 1 9 9 GLU H H 9 7.690 7.690 8.566 -0.876 25411 18118 1 34 . 1 1 10 10 ARG N N 10 118.753 118.753 119.592 -0.839 25411 18119 1 34 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.076 0.023 25411 18120 1 34 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.328 -1.107 25411 18121 1 34 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.251 -1.156 25411 18122 1 34 . 1 1 10 10 ARG H H 10 8.928 8.928 7.834 1.094 25411 18123 1 34 . 1 1 11 11 TYR N N 11 121.288 121.288 120.185 1.103 25411 18124 1 34 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.195 -0.006 25411 18125 1 34 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.227 -0.991 25411 18126 1 34 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.265 -0.404 25411 18127 1 34 . 1 1 11 11 TYR H H 11 7.562 7.562 8.847 -1.285 25411 18128 1 34 . 1 1 12 12 VAL N N 12 119.304 119.304 119.590 -0.286 25411 18129 1 34 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.695 -0.612 25411 18130 1 34 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.619 0.216 25411 18131 1 34 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.270 -0.171 25411 18132 1 34 . 1 1 12 12 VAL H H 12 8.075 8.075 8.186 -0.111 25411 18133 1 34 . 1 1 13 13 GLU N N 13 119.685 119.685 119.295 0.390 25411 18134 1 34 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.045 0.111 25411 18135 1 34 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.253 0.172 25411 18136 1 34 . 1 1 13 13 GLU CB C 13 29.188 29.188 28.919 0.269 25411 18137 1 34 . 1 1 13 13 GLU H H 13 8.278 8.278 7.741 0.537 25411 18138 1 34 . 1 1 14 14 GLN N N 14 119.682 119.682 119.961 -0.279 25411 18139 1 34 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.080 -0.424 25411 18140 1 34 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.563 1.406 25411 18141 1 34 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.313 1.360 25411 18142 1 34 . 1 1 14 14 GLN H H 14 7.653 7.653 8.148 -0.495 25411 18143 1 34 . 1 1 15 15 LEU N N 15 121.000 121.000 118.958 2.042 25411 18144 1 34 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.080 -0.159 25411 18145 1 34 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.314 1.141 25411 18146 1 34 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.061 -0.301 25411 18147 1 34 . 1 1 15 15 LEU H H 15 8.402 8.402 8.740 -0.338 25411 18148 1 34 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.900 -0.204 25411 18149 1 34 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.363 -0.105 25411 18150 1 34 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.284 -0.149 25411 18151 1 34 . 1 1 17 17 GLN N N 17 117.558 117.558 118.342 -0.784 25411 18152 1 34 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.111 -0.224 25411 18153 1 34 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.615 -0.173 25411 18154 1 34 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.762 -0.717 25411 18155 1 34 . 1 1 17 17 GLN H H 17 7.849 7.849 7.792 0.057 25411 18156 1 34 . 1 1 18 18 ALA N N 18 120.288 120.288 123.354 -3.066 25411 18157 1 34 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.202 -0.414 25411 18158 1 34 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.805 0.088 25411 18159 1 34 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.638 -1.242 25411 18160 1 34 . 1 1 18 18 ALA H H 18 8.504 8.504 8.169 0.335 25411 18161 1 34 . 1 1 19 19 LEU N N 19 116.974 116.974 118.557 -1.583 25411 18162 1 34 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.069 -0.310 25411 18163 1 34 . 1 1 19 19 LEU CA C 19 57.552 57.552 57.041 0.510 25411 18164 1 34 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.892 -1.199 25411 18165 1 34 . 1 1 19 19 LEU H H 19 8.143 8.143 8.484 -0.341 25411 18166 1 34 . 1 1 20 20 LYS N N 20 117.776 117.776 121.644 -3.868 25411 18167 1 34 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.079 -0.124 25411 18168 1 34 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.597 -0.053 25411 18169 1 34 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.345 -1.859 25411 18170 1 34 . 1 1 20 20 LYS H H 20 8.340 8.340 7.974 0.366 25411 18171 1 34 . 1 1 21 21 THR N N 21 116.373 116.373 112.479 3.894 25411 18172 1 34 . 1 1 21 21 THR HA H 21 4.107 4.107 4.215 -0.108 25411 18173 1 34 . 1 1 21 21 THR CA C 21 64.611 64.611 64.523 0.088 25411 18174 1 34 . 1 1 21 21 THR CB C 21 68.811 68.811 68.403 0.408 25411 18175 1 34 . 1 1 21 21 THR H H 21 7.302 7.302 7.991 -0.689 25411 18176 1 34 . 1 1 22 22 ARG N N 22 118.647 118.647 119.618 -0.971 25411 18177 1 34 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.453 -0.091 25411 18178 1 34 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.824 -1.759 25411 18179 1 34 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.151 -1.623 25411 18180 1 34 . 1 1 22 22 ARG H H 22 7.290 7.290 7.827 -0.537 25411 18181 1 34 . 1 1 23 23 GLY N N 23 108.637 108.637 107.857 0.780 25411 18182 1 34 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.684 0.428 25411 18183 1 34 . 1 1 23 23 GLY H H 23 7.881 7.881 7.749 0.132 25411 18184 1 34 . 1 1 24 24 VAL N N 24 117.390 117.390 124.017 -6.627 25411 18185 1 34 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.845 0.169 25411 18186 1 34 . 1 1 24 24 VAL CA C 24 61.668 61.668 61.869 -0.201 25411 18187 1 34 . 1 1 24 24 VAL CB C 24 32.372 32.372 28.632 3.740 25411 18188 1 34 . 1 1 24 24 VAL H H 24 7.333 7.333 7.590 -0.257 25411 18189 1 34 . 1 1 25 25 LYS N N 25 127.322 127.322 120.484 6.838 25411 18190 1 34 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.863 0.469 25411 18191 1 34 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.711 -1.949 25411 18192 1 34 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.522 0.239 25411 18193 1 34 . 1 1 25 25 LYS H H 25 8.722 8.722 8.346 0.376 25411 18194 1 34 . 1 1 26 26 VAL N N 26 120.568 120.568 118.682 1.886 25411 18195 1 34 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.223 -0.144 25411 18196 1 34 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.053 -0.388 25411 18197 1 34 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.827 -0.180 25411 18198 1 34 . 1 1 26 26 VAL H H 26 7.119 7.119 8.069 -0.950 25411 18199 1 34 . 1 1 27 27 LYS N N 27 125.675 125.675 124.205 1.470 25411 18200 1 34 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.468 -0.142 25411 18201 1 34 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.281 0.130 25411 18202 1 34 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.912 -2.953 25411 18203 1 34 . 1 1 27 27 LYS H H 27 8.570 8.570 8.014 0.556 25411 18204 1 34 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.512 -0.495 25411 18205 1 34 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.882 -2.470 25411 18206 1 34 . 1 1 28 28 TYR CB C 28 40.840 40.840 39.047 1.793 25411 18207 1 34 . 1 1 29 29 ALA N N 29 120.743 120.743 128.446 -7.703 25411 18208 1 34 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.145 -0.477 25411 18209 1 34 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.171 -0.493 25411 18210 1 34 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.137 -1.137 25411 18211 1 34 . 1 1 29 29 ALA H H 29 8.323 8.323 8.837 -0.514 25411 18212 1 34 . 1 1 30 30 ASP N N 30 117.202 117.202 117.338 -0.136 25411 18213 1 34 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.371 -0.090 25411 18214 1 34 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.105 0.448 25411 18215 1 34 . 1 1 30 30 ASP CB C 30 39.807 39.807 40.114 -0.307 25411 18216 1 34 . 1 1 30 30 ASP H H 30 6.872 6.872 8.445 -1.573 25411 18217 1 34 . 1 1 31 31 LEU N N 31 122.273 122.273 119.860 2.413 25411 18218 1 34 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.333 -0.787 25411 18219 1 34 . 1 1 31 31 LEU CA C 31 56.725 56.725 57.119 -0.394 25411 18220 1 34 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.424 -1.766 25411 18221 1 34 . 1 1 31 31 LEU H H 31 7.433 7.433 7.690 -0.257 25411 18222 1 34 . 1 1 32 32 LEU N N 32 123.376 123.376 117.645 5.731 25411 18223 1 34 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.162 -0.547 25411 18224 1 34 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.596 0.500 25411 18225 1 34 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.789 -1.247 25411 18226 1 34 . 1 1 32 32 LEU H H 32 8.727 8.727 7.864 0.863 25411 18227 1 34 . 1 1 33 33 LYS N N 33 118.078 118.078 121.193 -3.115 25411 18228 1 34 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.080 0.133 25411 18229 1 34 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.814 -0.716 25411 18230 1 34 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.095 -0.205 25411 18231 1 34 . 1 1 33 33 LYS H H 33 7.149 7.149 7.849 -0.700 25411 18232 1 34 . 1 1 34 34 PHE N N 34 117.398 117.398 120.247 -2.849 25411 18233 1 34 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.717 -5.022 25411 18234 1 34 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.083 2.136 25411 18235 1 34 . 1 1 34 34 PHE H H 34 7.633 7.633 7.801 -0.168 25411 18236 1 34 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.055 -0.262 25411 18237 1 34 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.075 -0.484 25411 18238 1 34 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.230 -2.216 25411 18239 1 34 . 1 1 36 36 ASP N N 36 120.136 120.136 119.780 0.356 25411 18240 1 34 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.467 -0.371 25411 18241 1 34 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.614 -0.673 25411 18242 1 34 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.512 -1.408 25411 18243 1 34 . 1 1 36 36 ASP H H 36 8.330 8.330 8.812 -0.482 25411 18244 1 34 . 1 1 37 37 PHE N N 37 121.883 121.883 121.278 0.605 25411 18245 1 34 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.156 0.102 25411 18246 1 34 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.362 -1.664 25411 18247 1 34 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.220 0.965 25411 18248 1 34 . 1 1 37 37 PHE H H 37 7.794 7.794 8.474 -0.680 25411 18249 1 34 . 1 1 38 38 VAL N N 38 118.525 118.525 118.172 0.353 25411 18250 1 34 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.601 -0.562 25411 18251 1 34 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.087 0.795 25411 18252 1 34 . 1 1 38 38 VAL CB C 38 30.688 30.688 30.989 -0.301 25411 18253 1 34 . 1 1 38 38 VAL H H 38 8.262 8.262 7.745 0.517 25411 18254 1 34 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.982 -0.526 25411 18255 1 34 . 1 1 39 39 LYS CA C 39 59.054 59.054 58.984 0.070 25411 18256 1 34 . 1 1 39 39 LYS CB C 39 31.696 31.696 32.193 -0.497 25411 18257 1 34 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.558 -0.113 25411 18258 1 34 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.292 0.693 25411 18259 1 34 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.471 -0.779 25411 18260 1 34 . 1 1 41 41 ILE N N 41 120.641 120.641 118.155 2.486 25411 18261 1 34 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.125 -0.100 25411 18262 1 34 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.414 -2.762 25411 18263 1 34 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.524 -0.460 25411 18264 1 34 . 1 1 41 41 ILE H H 41 8.788 8.788 7.838 0.950 25411 18265 1 34 . 1 1 42 42 CYS N N 42 117.896 117.896 117.031 0.865 25411 18266 1 34 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.427 0.745 25411 18267 1 34 . 1 1 42 42 CYS CB C 42 28.324 28.324 29.806 -1.482 25411 18268 1 34 . 1 1 42 42 CYS H H 42 7.180 7.180 7.404 -0.224 25411 18269 1 34 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.142 0.173 25411 18270 1 34 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.668 0.335 25411 18271 1 34 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.392 -0.677 25411 18272 1 34 . 1 1 44 44 TRP N N 44 113.823 113.823 116.751 -2.928 25411 18273 1 34 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.261 0.044 25411 18274 1 34 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.885 -2.487 25411 18275 1 34 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.426 -1.615 25411 18276 1 34 . 1 1 44 44 TRP H H 44 6.591 6.591 7.923 -1.332 25411 18277 1 34 . 1 1 45 45 PHE N N 45 123.100 123.100 116.098 7.002 25411 18278 1 34 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.016 -1.015 25411 18279 1 34 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.801 8.008 25411 18280 1 34 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.474 -3.539 25411 18281 1 34 . 1 1 45 45 PHE H H 45 7.239 7.239 7.741 -0.502 25411 18282 1 34 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.186 -0.174 25411 18283 1 34 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.593 -0.062 25411 18284 1 34 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.661 -1.174 25411 18285 1 34 . 1 1 47 47 GLN N N 47 114.502 114.502 116.290 -1.788 25411 18286 1 34 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.142 -0.205 25411 18287 1 34 . 1 1 47 47 GLN CA C 47 58.404 58.404 57.838 0.566 25411 18288 1 34 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.673 0.647 25411 18289 1 34 . 1 1 47 47 GLN H H 47 6.518 6.518 8.525 -2.007 25411 18290 1 34 . 1 1 48 48 GLU N N 48 117.358 117.358 119.179 -1.821 25411 18291 1 34 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.241 -0.203 25411 18292 1 34 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.984 1.188 25411 18293 1 34 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.701 -1.747 25411 18294 1 34 . 1 1 48 48 GLU H H 48 7.318 7.318 7.983 -0.665 25411 18295 1 34 . 1 1 49 49 GLY N N 49 105.534 105.534 108.956 -3.422 25411 18296 1 34 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.697 1.606 25411 18297 1 34 . 1 1 49 49 GLY H H 49 7.296 7.296 7.834 -0.538 25411 18298 1 34 . 1 1 50 50 THR N N 50 114.069 114.069 113.937 0.132 25411 18299 1 34 . 1 1 50 50 THR HA H 50 4.234 4.234 4.803 -0.569 25411 18300 1 34 . 1 1 50 50 THR CA C 50 61.683 61.683 59.910 1.772 25411 18301 1 34 . 1 1 50 50 THR CB C 50 70.718 70.718 71.028 -0.310 25411 18302 1 34 . 1 1 50 50 THR H H 50 7.597 7.597 7.802 -0.205 25411 18303 1 34 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.293 -0.168 25411 18304 1 34 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.143 -1.273 25411 18305 1 34 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.036 -3.748 25411 18306 1 34 . 1 1 52 52 ASP N N 52 121.791 121.791 126.800 -5.009 25411 18307 1 34 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.903 -0.280 25411 18308 1 34 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.914 -1.182 25411 18309 1 34 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.141 -1.680 25411 18310 1 34 . 1 1 52 52 ASP H H 52 7.168 7.168 8.246 -1.078 25411 18311 1 34 . 1 1 53 53 ILE N N 53 119.537 119.537 118.862 0.675 25411 18312 1 34 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.523 -0.388 25411 18313 1 34 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.269 -0.473 25411 18314 1 34 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.292 -1.477 25411 18315 1 34 . 1 1 53 53 ILE H H 53 8.336 8.336 8.522 -0.186 25411 18316 1 34 . 1 1 54 54 LYS N N 54 123.592 123.592 121.270 2.322 25411 18317 1 34 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.167 -0.062 25411 18318 1 34 . 1 1 54 54 LYS CA C 54 59.972 59.972 59.405 0.567 25411 18319 1 34 . 1 1 54 54 LYS CB C 54 31.748 31.748 31.989 -0.241 25411 18320 1 34 . 1 1 54 54 LYS H H 54 8.104 8.104 8.556 -0.452 25411 18321 1 34 . 1 1 55 55 ARG N N 55 120.511 120.511 120.277 0.234 25411 18322 1 34 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.118 0.183 25411 18323 1 34 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.496 0.407 25411 18324 1 34 . 1 1 55 55 ARG CB C 55 30.056 30.056 29.797 0.259 25411 18325 1 34 . 1 1 55 55 ARG H H 55 9.196 9.196 8.384 0.812 25411 18326 1 34 . 1 1 56 56 TRP N N 56 120.681 120.681 121.762 -1.081 25411 18327 1 34 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.464 0.239 25411 18328 1 34 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.195 -0.789 25411 18329 1 34 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.011 1.003 25411 18330 1 34 . 1 1 56 56 TRP H H 56 8.899 8.899 8.420 0.479 25411 18331 1 34 . 1 1 57 57 ARG N N 57 122.115 122.115 119.393 2.722 25411 18332 1 34 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.310 1.097 25411 18333 1 34 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.450 0.577 25411 18334 1 34 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.748 0.038 25411 18335 1 34 . 1 1 57 57 ARG H H 57 9.210 9.210 8.130 1.080 25411 18336 1 34 . 1 1 58 58 ARG N N 58 120.918 120.918 119.195 1.723 25411 18337 1 34 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.059 0.786 25411 18338 1 34 . 1 1 58 58 ARG CB C 58 29.729 29.729 29.997 -0.268 25411 18339 1 34 . 1 1 58 58 ARG H H 58 7.640 7.640 7.673 -0.033 25411 18340 1 34 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.814 -0.050 25411 18341 1 34 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.540 0.460 25411 18342 1 34 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.591 -0.759 25411 18343 1 34 . 1 1 59 59 VAL H H 59 7.916 7.916 7.608 0.308 25411 18344 1 34 . 1 1 60 60 GLY N N 60 106.856 106.856 107.098 -0.242 25411 18345 1 34 . 1 1 60 60 GLY CA C 60 46.081 46.081 46.983 -0.901 25411 18346 1 34 . 1 1 60 60 GLY H H 60 7.623 7.623 8.143 -0.520 25411 18347 1 34 . 1 1 61 61 ASP N N 61 123.308 123.308 122.729 0.579 25411 18348 1 34 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.466 -0.241 25411 18349 1 34 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.117 -0.317 25411 18350 1 34 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.845 -1.361 25411 18351 1 34 . 1 1 61 61 ASP H H 61 8.203 8.203 8.029 0.174 25411 18352 1 34 . 1 1 62 62 CYS N N 62 120.841 120.841 118.517 2.324 25411 18353 1 34 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.037 0.201 25411 18354 1 34 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.408 -1.458 25411 18355 1 34 . 1 1 62 62 CYS CB C 62 26.503 26.503 27.592 -1.089 25411 18356 1 34 . 1 1 62 62 CYS H H 62 7.795 7.795 7.650 0.145 25411 18357 1 34 . 1 1 63 63 PHE N N 63 119.763 119.763 120.078 -0.315 25411 18358 1 34 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.346 -0.068 25411 18359 1 34 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.498 -2.841 25411 18360 1 34 . 1 1 63 63 PHE CB C 63 36.990 36.990 39.404 -2.414 25411 18361 1 34 . 1 1 63 63 PHE H H 63 8.647 8.647 8.083 0.564 25411 18362 1 34 . 1 1 64 64 GLN N N 64 118.578 118.578 119.410 -0.832 25411 18363 1 34 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.032 0.276 25411 18364 1 34 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.769 0.564 25411 18365 1 34 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.196 0.383 25411 18366 1 34 . 1 1 64 64 GLN H H 64 8.261 8.261 8.406 -0.145 25411 18367 1 34 . 1 1 65 65 ASP N N 65 119.534 119.534 121.880 -2.346 25411 18368 1 34 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.284 0.200 25411 18369 1 34 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.142 0.187 25411 18370 1 34 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.910 -1.239 25411 18371 1 34 . 1 1 65 65 ASP H H 65 8.338 8.338 8.358 -0.020 25411 18372 1 34 . 1 1 66 66 TYR N N 66 123.600 123.600 122.036 1.564 25411 18373 1 34 . 1 1 66 66 TYR HA H 66 4.502 4.502 4.018 0.484 25411 18374 1 34 . 1 1 66 66 TYR CA C 66 61.231 61.231 61.899 -0.668 25411 18375 1 34 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.246 0.187 25411 18376 1 34 . 1 1 66 66 TYR H H 66 7.804 7.804 8.282 -0.478 25411 18377 1 34 . 1 1 67 67 TYR N N 67 122.825 122.825 118.636 4.189 25411 18378 1 34 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.569 0.428 25411 18379 1 34 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.303 0.600 25411 18380 1 34 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.215 0.731 25411 18381 1 34 . 1 1 67 67 TYR H H 67 9.100 9.100 8.309 0.791 25411 18382 1 34 . 1 1 68 68 ASN N N 68 118.826 118.826 116.650 2.176 25411 18383 1 34 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.196 0.087 25411 18384 1 34 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.542 -0.110 25411 18385 1 34 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.348 -0.472 25411 18386 1 34 . 1 1 68 68 ASN H H 68 8.853 8.853 8.314 0.539 25411 18387 1 34 . 1 1 69 69 THR N N 69 114.242 114.242 113.789 0.453 25411 18388 1 34 . 1 1 69 69 THR HA H 69 3.837 3.837 3.815 0.022 25411 18389 1 34 . 1 1 69 69 THR CA C 69 65.328 65.328 65.585 -0.257 25411 18390 1 34 . 1 1 69 69 THR CB C 69 69.249 69.249 68.388 0.861 25411 18391 1 34 . 1 1 69 69 THR H H 69 7.847 7.847 7.930 -0.083 25411 18392 1 34 . 1 1 70 70 PHE N N 70 117.970 117.970 118.250 -0.280 25411 18393 1 34 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.573 -0.009 25411 18394 1 34 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.213 0.029 25411 18395 1 34 . 1 1 70 70 PHE CB C 70 41.074 41.074 39.502 1.572 25411 18396 1 34 . 1 1 70 70 PHE H H 70 8.489 8.489 7.256 1.233 25411 18397 1 34 . 1 1 71 71 GLY N N 71 109.516 109.516 105.513 4.003 25411 18398 1 34 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.566 0.466 25411 18399 1 34 . 1 1 71 71 GLY H H 71 7.968 7.968 7.861 0.107 25411 18400 1 34 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.440 0.271 25411 18401 1 34 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.532 0.765 25411 18402 1 34 . 1 1 72 72 PRO CB C 72 31.744 31.744 32.178 -0.434 25411 18403 1 34 . 1 1 73 73 GLU N N 73 117.720 117.720 124.660 -6.940 25411 18404 1 34 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.189 -0.290 25411 18405 1 34 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.667 0.069 25411 18406 1 34 . 1 1 73 73 GLU CB C 73 28.863 28.863 30.134 -1.272 25411 18407 1 34 . 1 1 73 73 GLU H H 73 8.586 8.586 8.830 -0.244 25411 18408 1 34 . 1 1 74 74 LYS N N 74 116.974 116.974 118.474 -1.500 25411 18409 1 34 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.489 -0.100 25411 18410 1 34 . 1 1 74 74 LYS CA C 74 55.185 55.185 56.488 -1.303 25411 18411 1 34 . 1 1 74 74 LYS CB C 74 34.087 34.087 32.934 1.153 25411 18412 1 34 . 1 1 74 74 LYS H H 74 7.505 7.505 8.353 -0.848 25411 18413 1 34 . 1 1 75 75 VAL N N 75 117.309 117.309 121.657 -4.348 25411 18414 1 34 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.500 -0.187 25411 18415 1 34 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.269 1.776 25411 18416 1 34 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.786 -0.802 25411 18417 1 34 . 1 1 75 75 VAL H H 75 7.402 7.402 7.816 -0.414 25411 18418 1 34 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.648 -0.086 25411 18419 1 34 . 1 1 76 76 PRO CA C 76 61.687 61.687 63.205 -1.518 25411 18420 1 34 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.764 -1.034 25411 18421 1 34 . 1 1 77 77 VAL N N 77 120.870 120.870 123.859 -2.989 25411 18422 1 34 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.229 -0.401 25411 18423 1 34 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.184 1.654 25411 18424 1 34 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.152 -0.765 25411 18425 1 34 . 1 1 77 77 VAL H H 77 8.473 8.473 8.721 -0.248 25411 18426 1 34 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.868 -0.016 25411 18427 1 34 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.261 -3.136 25411 18428 1 34 . 1 1 78 78 ILE CB C 78 37.135 37.135 37.041 0.094 25411 18429 1 34 . 1 1 78 78 ILE H H 78 8.388 8.388 8.143 0.245 25411 18430 1 34 . 1 1 79 79 ALA N N 79 123.960 123.960 123.866 0.094 25411 18431 1 34 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.041 -0.151 25411 18432 1 34 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.693 0.196 25411 18433 1 34 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.154 -0.531 25411 18434 1 34 . 1 1 79 79 ALA H H 79 7.953 7.953 7.708 0.245 25411 18435 1 34 . 1 1 80 80 PHE N N 80 114.330 114.330 114.438 -0.108 25411 18436 1 34 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.377 0.054 25411 18437 1 34 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.945 1.367 25411 18438 1 34 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.209 -1.553 25411 18439 1 34 . 1 1 80 80 PHE H H 80 7.499 7.499 8.144 -0.645 25411 18440 1 34 . 1 1 81 81 SER N N 81 115.971 115.971 115.284 0.687 25411 18441 1 34 . 1 1 81 81 SER HA H 81 4.206 4.206 4.324 -0.118 25411 18442 1 34 . 1 1 81 81 SER CA C 81 58.432 58.432 59.574 -1.142 25411 18443 1 34 . 1 1 81 81 SER CB C 81 63.575 63.575 63.220 0.355 25411 18444 1 34 . 1 1 81 81 SER H H 81 8.225 8.225 7.688 0.537 25411 18445 1 34 . 1 1 82 82 TYR N N 82 121.997 121.997 123.158 -1.161 25411 18446 1 34 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.239 0.208 25411 18447 1 34 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.545 -4.660 25411 18448 1 34 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.719 -0.881 25411 18449 1 34 . 1 1 82 82 TYR H H 82 8.378 8.378 7.742 0.636 25411 18450 1 34 . 1 1 83 83 TRP N N 83 120.268 120.268 119.163 1.105 25411 18451 1 34 . 1 1 83 83 TRP CA C 83 57.393 57.393 59.483 -2.090 25411 18452 1 34 . 1 1 83 83 TRP CB C 83 28.894 28.894 28.437 0.457 25411 18453 1 34 . 1 1 83 83 TRP H H 83 8.546 8.546 9.489 -0.943 25411 18454 1 34 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.176 0.044 25411 18455 1 34 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.182 0.447 25411 18456 1 34 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.719 1.346 25411 18457 1 34 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.111 -0.065 25411 18458 1 34 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.169 0.973 25411 18459 1 34 . 1 1 85 85 LEU CB C 85 41.692 41.692 42.075 -0.383 25411 18460 1 34 . 1 1 86 86 ILE N N 86 117.000 117.000 119.657 -2.657 25411 18461 1 34 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.597 -0.151 25411 18462 1 34 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.510 -2.227 25411 18463 1 34 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.131 -1.719 25411 18464 1 34 . 1 1 86 86 ILE H H 86 7.882 7.882 7.688 0.194 25411 18465 1 34 . 1 1 87 87 LYS HA H 87 3.226 3.226 4.112 -0.886 25411 18466 1 34 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.400 0.596 25411 18467 1 34 . 1 1 87 87 LYS CB C 87 31.050 31.050 32.419 -1.369 25411 18468 1 34 . 1 1 88 88 GLU N N 88 116.404 116.404 117.710 -1.306 25411 18469 1 34 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.474 -0.627 25411 18470 1 34 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.289 0.621 25411 18471 1 34 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.192 -0.223 25411 18472 1 34 . 1 1 88 88 GLU H H 88 7.689 7.689 7.849 -0.160 25411 18473 1 34 . 1 1 89 89 LEU N N 89 118.193 118.193 121.483 -3.290 25411 18474 1 34 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.207 -0.318 25411 18475 1 34 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.955 1.008 25411 18476 1 34 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.211 -0.911 25411 18477 1 34 . 1 1 89 89 LEU H H 89 7.415 7.415 7.760 -0.345 25411 18478 1 34 . 1 1 90 90 ILE N N 90 115.471 115.471 120.345 -4.874 25411 18479 1 34 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.742 -0.324 25411 18480 1 34 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.231 0.677 25411 18481 1 34 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.713 -0.119 25411 18482 1 34 . 1 1 90 90 ILE H H 90 7.718 7.718 7.718 0.000 25411 18483 1 34 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.520 -0.800 25411 18484 1 34 . 1 1 91 91 ASP CA C 91 57.664 57.664 57.014 0.650 25411 18485 1 34 . 1 1 91 91 ASP CB C 91 40.532 40.532 39.977 0.555 25411 18486 1 34 . 1 1 92 92 LYS N N 92 119.253 119.253 118.958 0.295 25411 18487 1 34 . 1 1 92 92 LYS CA C 92 58.897 58.897 56.425 2.472 25411 18488 1 34 . 1 1 92 92 LYS CB C 92 31.988 31.988 31.899 0.089 25411 18489 1 34 . 1 1 92 92 LYS H H 92 7.869 7.869 7.695 0.174 25411 18490 1 34 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.049 0.482 25411 18491 1 34 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.586 -3.328 25411 18492 1 34 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.918 0.251 25411 18493 1 34 . 1 1 94 94 GLU N N 94 116.729 116.729 120.675 -3.946 25411 18494 1 34 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.110 0.023 25411 18495 1 34 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.052 0.267 25411 18496 1 34 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.264 -1.889 25411 18497 1 34 . 1 1 94 94 GLU H H 94 8.393 8.393 7.923 0.470 25411 18498 1 34 . 1 1 95 95 VAL N N 95 121.696 121.696 117.255 4.441 25411 18499 1 34 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.879 0.603 25411 18500 1 34 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.567 3.154 25411 18501 1 34 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.466 1.428 25411 18502 1 34 . 1 1 95 95 VAL H H 95 7.923 7.923 7.593 0.330 25411 18503 1 34 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.703 -0.345 25411 18504 1 34 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.553 0.054 25411 18505 1 34 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.448 -0.574 25411 18506 1 34 . 1 1 98 98 GLN N N 98 117.731 117.731 118.820 -1.089 25411 18507 1 34 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.015 -0.090 25411 18508 1 34 . 1 1 98 98 GLN CA C 98 58.608 58.608 59.120 -0.512 25411 18509 1 34 . 1 1 98 98 GLN CB C 98 28.521 28.521 28.239 0.281 25411 18510 1 34 . 1 1 98 98 GLN H H 98 8.359 8.359 8.698 -0.339 25411 18511 1 34 . 1 1 99 99 VAL N N 99 121.326 121.326 118.842 2.484 25411 18512 1 34 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.778 -0.358 25411 18513 1 34 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.790 0.614 25411 18514 1 34 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.261 0.358 25411 18515 1 34 . 1 1 99 99 VAL H H 99 7.901 7.901 8.158 -0.257 25411 18516 1 34 . 1 1 100 100 MET N N 100 120.447 120.447 116.460 3.987 25411 18517 1 34 . 1 1 100 100 MET HA H 100 3.812 3.812 4.421 -0.609 25411 18518 1 34 . 1 1 100 100 MET CA C 100 59.297 59.297 56.227 3.070 25411 18519 1 34 . 1 1 100 100 MET CB C 100 32.099 32.099 32.123 -0.024 25411 18520 1 34 . 1 1 100 100 MET H H 100 7.509 7.509 7.786 -0.277 25411 18521 1 34 . 1 1 101 101 ALA N N 101 119.458 119.458 121.669 -2.211 25411 18522 1 34 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.210 0.000 25411 18523 1 34 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.483 0.269 25411 18524 1 34 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.476 -0.955 25411 18525 1 34 . 1 1 101 101 ALA H H 101 7.889 7.889 7.632 0.257 25411 18526 1 34 . 1 1 102 102 ALA N N 102 119.627 119.627 121.617 -1.990 25411 18527 1 34 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.142 -0.149 25411 18528 1 34 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.763 0.125 25411 18529 1 34 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.260 -0.916 25411 18530 1 34 . 1 1 102 102 ALA H H 102 7.563 7.563 8.367 -0.804 25411 18531 1 34 . 1 1 103 103 VAL N N 103 122.690 122.690 118.204 4.486 25411 18532 1 34 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.892 0.181 25411 18533 1 34 . 1 1 103 103 VAL CA C 103 61.685 61.685 66.031 -4.346 25411 18534 1 34 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.094 2.128 25411 18535 1 34 . 1 1 103 103 VAL H H 103 8.828 8.828 8.026 0.802 25411 18536 1 34 . 1 1 104 104 ALA N N 104 128.041 128.041 119.198 8.843 25411 18537 1 34 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.163 0.106 25411 18538 1 34 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.487 -2.346 25411 18539 1 34 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.401 0.539 25411 18540 1 34 . 1 1 104 104 ALA H H 104 8.367 8.367 7.575 0.792 25411 18541 1 34 . 1 1 105 105 GLN N N 105 120.265 120.265 116.815 3.450 25411 18542 1 34 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.260 -0.329 25411 18543 1 34 . 1 1 105 105 GLN CB C 105 29.020 29.020 30.327 -1.307 25411 18544 1 34 . 1 1 105 105 GLN H H 105 8.356 8.356 7.759 0.597 25411 18545 1 34 . 1 1 106 106 THR HA H 106 4.320 4.320 4.179 0.141 25411 18546 1 34 . 1 1 106 106 THR CA C 106 61.346 61.346 65.005 -3.659 25411 18547 1 34 . 1 1 106 106 THR CB C 106 69.293 69.293 69.116 0.177 25411 18548 1 34 . 1 1 107 107 GLU N N 107 122.706 122.706 118.976 3.730 25411 18549 1 34 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.517 -0.335 25411 18550 1 34 . 1 1 107 107 GLU CA C 107 56.576 56.576 56.903 -0.327 25411 18551 1 34 . 1 1 107 107 GLU CB C 107 29.936 29.936 31.913 -1.977 25411 18552 1 34 . 1 1 107 107 GLU H H 107 8.404 8.404 7.546 0.858 25411 18553 1 34 . 1 1 108 108 GLU N N 108 122.034 122.034 117.343 4.691 25411 18554 1 34 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.163 -0.002 25411 18555 1 34 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.206 -0.557 25411 18556 1 34 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.477 0.199 25411 18557 1 34 . 1 1 108 108 GLU H H 108 7.341 7.341 7.683 -0.342 25411 18558 1 34 . 1 1 109 109 ILE N N 109 122.151 122.151 120.318 1.833 25411 18559 1 34 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.402 -0.355 25411 18560 1 34 . 1 1 109 109 ILE CA C 109 61.565 61.565 60.024 1.541 25411 18561 1 34 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.360 -0.256 25411 18562 1 34 . 1 1 109 109 ILE H H 109 8.058 8.058 8.691 -0.633 25411 18563 1 34 . 1 1 110 110 LEU N N 110 122.427 122.427 121.429 0.998 25411 18564 1 34 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.081 0.195 25411 18565 1 34 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.780 -1.629 25411 18566 1 34 . 1 1 110 110 LEU CB C 110 32.255 32.255 41.365 -9.110 25411 18567 1 34 . 1 1 110 110 LEU H H 110 8.194 8.194 8.093 0.101 25411 18568 1 34 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.224 0.023 25411 18569 1 34 . 1 1 111 111 LYS CA C 111 56.137 56.137 57.687 -1.550 25411 18570 1 34 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.669 -0.099 25411 18571 1 34 . 1 1 112 112 SER N N 112 116.453 116.453 113.776 2.677 25411 18572 1 34 . 1 1 112 112 SER HA H 112 4.175 4.175 4.013 0.162 25411 18573 1 34 . 1 1 112 112 SER CA C 112 58.311 58.311 60.843 -2.532 25411 18574 1 34 . 1 1 112 112 SER CB C 112 63.441 63.441 62.378 1.063 25411 18575 1 34 . 1 1 112 112 SER H H 112 8.204 8.204 8.242 -0.038 25411 18576 1 34 . 1 1 113 113 ASN N N 113 119.747 119.747 116.636 3.111 25411 18577 1 34 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.792 -0.148 25411 18578 1 34 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.864 0.781 25411 18579 1 34 . 1 1 113 113 ASN CB C 113 38.646 38.646 38.769 -0.123 25411 18580 1 34 . 1 1 113 113 ASN H H 113 7.944 7.944 8.144 -0.200 25411 18581 1 34 . 1 1 114 114 SER N N 114 115.433 115.433 116.536 -1.103 25411 18582 1 34 . 1 1 114 114 SER HA H 114 4.336 4.336 4.447 -0.111 25411 18583 1 34 . 1 1 114 114 SER CA C 114 58.711 58.711 58.981 -0.270 25411 18584 1 34 . 1 1 114 114 SER CB C 114 63.308 63.308 60.670 2.638 25411 18585 1 34 . 1 1 114 114 SER H H 114 7.962 7.962 8.545 -0.583 25411 18586 1 34 . 1 1 115 115 GLN N N 115 121.682 121.682 120.136 1.546 25411 18587 1 34 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.539 -0.265 25411 18588 1 34 . 1 1 115 115 GLN CA C 115 56.193 56.193 54.211 1.982 25411 18589 1 34 . 1 1 115 115 GLN CB C 115 28.807 28.807 31.166 -2.359 25411 18590 1 34 . 1 1 115 115 GLN H H 115 8.207 8.207 8.130 0.077 25411 18591 1 34 . 1 1 116 116 THR N N 116 114.715 114.715 110.687 4.028 25411 18592 1 34 . 1 1 116 116 THR HA H 116 4.225 4.225 4.735 -0.510 25411 18593 1 34 . 1 1 116 116 THR CA C 116 62.109 62.109 59.698 2.411 25411 18594 1 34 . 1 1 116 116 THR CB C 116 69.336 69.336 72.242 -2.906 25411 18595 1 34 . 1 1 116 116 THR H H 116 8.062 8.062 7.738 0.324 25411 18596 1 34 . 1 1 117 117 ASP N N 117 122.602 122.602 123.913 -1.311 25411 18597 1 34 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.345 0.223 25411 18598 1 34 . 1 1 117 117 ASP CA C 117 54.204 54.204 57.136 -2.932 25411 18599 1 34 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.039 0.626 25411 18600 1 34 . 1 1 117 117 ASP H H 117 8.065 8.065 8.689 -0.624 25411 18601 1 34 . 1 1 118 118 LEU N N 118 122.140 122.140 119.346 2.794 25411 18602 1 34 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.332 -0.177 25411 18603 1 34 . 1 1 118 118 LEU CA C 118 55.423 55.423 53.979 1.444 25411 18604 1 34 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.712 0.161 25411 18605 1 34 . 1 1 118 118 LEU H H 118 8.085 8.085 7.870 0.215 25411 18606 1 34 . 1 1 119 119 GLU N N 119 119.672 119.672 116.208 3.464 25411 18607 1 34 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.928 0.140 25411 18608 1 34 . 1 1 119 119 GLU CA C 119 56.565 56.565 56.871 -0.306 25411 18609 1 34 . 1 1 119 119 GLU CB C 119 29.572 29.572 26.925 2.647 25411 18610 1 34 . 1 1 119 119 GLU H H 119 8.143 8.143 7.739 0.404 25411 18611 1 34 . 1 1 120 120 HIS N N 120 118.301 118.301 117.366 0.935 25411 18612 1 34 . 1 1 120 120 HIS CA C 120 55.883 55.883 58.177 -2.294 25411 18613 1 34 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.427 -0.157 25411 18614 1 34 . 1 1 120 120 HIS H H 120 8.107 8.107 8.237 -0.130 25411 18615 1 34 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.827 -0.819 25411 18616 1 34 . 1 1 121 121 HIS CA C 121 55.166 55.166 56.357 -1.191 25411 18617 1 34 . 1 1 121 121 HIS CB C 121 28.759 28.759 30.344 -1.585 25411 18618 1 34 . 1 1 122 122 HIS N N 122 122.407 122.407 118.072 4.335 25411 18619 1 34 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.823 -0.605 25411 18620 1 34 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.073 2.008 25411 18621 1 34 . 1 1 122 122 HIS CB C 122 29.371 29.371 33.343 -3.972 25411 18622 1 34 . 1 1 122 122 HIS H H 122 8.489 8.489 8.061 0.428 25411 18623 1 34 . 1 1 123 123 HIS N N 123 122.868 122.868 117.857 5.011 25411 18624 1 34 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.224 0.163 25411 18625 1 34 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.073 -0.763 25411 18626 1 34 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.269 0.233 25411 18627 1 34 . 1 1 123 123 HIS H H 123 8.596 8.596 8.039 0.557 25411 18628 1 34 . 1 1 124 124 HIS N N 124 123.734 123.734 120.671 3.063 25411 18629 1 34 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.979 -0.422 25411 18630 1 34 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.240 1.145 25411 18631 1 34 . 1 1 124 124 HIS CB C 124 29.358 29.358 29.016 0.342 25411 18632 1 34 . 1 1 124 124 HIS H H 124 8.255 8.255 8.222 0.033 25411 18633 1 35 . 1 1 3 3 GLN N N 3 122.360 122.360 120.495 1.865 25411 18634 1 35 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.257 -0.369 25411 18635 1 35 . 1 1 3 3 GLN CA C 3 58.742 58.742 57.110 1.632 25411 18636 1 35 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.778 -0.395 25411 18637 1 35 . 1 1 3 3 GLN H H 3 9.398 9.398 8.645 0.753 25411 18638 1 35 . 1 1 4 4 GLU N N 4 119.689 119.689 120.106 -0.417 25411 18639 1 35 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.145 0.529 25411 18640 1 35 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.949 -0.142 25411 18641 1 35 . 1 1 4 4 GLU CB C 4 28.700 28.700 29.117 -0.417 25411 18642 1 35 . 1 1 4 4 GLU H H 4 7.464 7.464 8.818 -1.354 25411 18643 1 35 . 1 1 5 5 LEU N N 5 114.872 114.872 122.183 -7.311 25411 18644 1 35 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.089 -0.388 25411 18645 1 35 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.046 -0.308 25411 18646 1 35 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.983 -1.168 25411 18647 1 35 . 1 1 5 5 LEU H H 5 8.206 8.206 7.584 0.622 25411 18648 1 35 . 1 1 6 6 SER N N 6 109.762 109.762 113.067 -3.305 25411 18649 1 35 . 1 1 6 6 SER HA H 6 4.092 4.092 4.111 -0.019 25411 18650 1 35 . 1 1 6 6 SER CA C 6 60.415 60.415 61.873 -1.458 25411 18651 1 35 . 1 1 6 6 SER CB C 6 63.391 63.391 62.655 0.736 25411 18652 1 35 . 1 1 6 6 SER H H 6 8.253 8.253 8.239 0.014 25411 18653 1 35 . 1 1 7 7 GLN N N 7 117.498 117.498 122.680 -5.182 25411 18654 1 35 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.198 -0.243 25411 18655 1 35 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.728 -0.303 25411 18656 1 35 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.650 0.089 25411 18657 1 35 . 1 1 7 7 GLN H H 7 8.673 8.673 8.075 0.598 25411 18658 1 35 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.255 -0.458 25411 18659 1 35 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.845 -0.790 25411 18660 1 35 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.070 -0.961 25411 18661 1 35 . 1 1 9 9 GLU N N 9 120.354 120.354 119.145 1.209 25411 18662 1 35 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.222 -0.263 25411 18663 1 35 . 1 1 9 9 GLU CA C 9 60.258 60.258 58.960 1.298 25411 18664 1 35 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.649 -0.423 25411 18665 1 35 . 1 1 9 9 GLU H H 9 7.690 7.690 8.385 -0.695 25411 18666 1 35 . 1 1 10 10 ARG N N 10 118.753 118.753 120.381 -1.628 25411 18667 1 35 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.043 0.056 25411 18668 1 35 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.665 -1.444 25411 18669 1 35 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.189 -1.094 25411 18670 1 35 . 1 1 10 10 ARG H H 10 8.928 8.928 8.076 0.852 25411 18671 1 35 . 1 1 11 11 TYR N N 11 121.288 121.288 118.723 2.565 25411 18672 1 35 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.235 -0.046 25411 18673 1 35 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.290 -1.054 25411 18674 1 35 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.370 -0.508 25411 18675 1 35 . 1 1 11 11 TYR H H 11 7.562 7.562 8.792 -1.230 25411 18676 1 35 . 1 1 12 12 VAL N N 12 119.304 119.304 119.774 -0.470 25411 18677 1 35 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.652 -0.569 25411 18678 1 35 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.612 0.223 25411 18679 1 35 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.744 -0.645 25411 18680 1 35 . 1 1 12 12 VAL H H 12 8.075 8.075 7.730 0.345 25411 18681 1 35 . 1 1 13 13 GLU N N 13 119.685 119.685 119.716 -0.031 25411 18682 1 35 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.001 0.154 25411 18683 1 35 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.453 -0.028 25411 18684 1 35 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.449 -0.261 25411 18685 1 35 . 1 1 13 13 GLU H H 13 8.278 8.278 8.178 0.100 25411 18686 1 35 . 1 1 14 14 GLN N N 14 119.682 119.682 120.041 -0.359 25411 18687 1 35 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.032 -0.376 25411 18688 1 35 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.629 1.340 25411 18689 1 35 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.174 1.499 25411 18690 1 35 . 1 1 14 14 GLN H H 14 7.653 7.653 8.246 -0.593 25411 18691 1 35 . 1 1 15 15 LEU N N 15 121.000 121.000 118.540 2.460 25411 18692 1 35 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.077 -0.156 25411 18693 1 35 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.131 1.324 25411 18694 1 35 . 1 1 15 15 LEU CB C 15 40.760 40.760 40.983 -0.223 25411 18695 1 35 . 1 1 15 15 LEU H H 15 8.402 8.402 8.471 -0.069 25411 18696 1 35 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.889 -0.193 25411 18697 1 35 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.418 -0.160 25411 18698 1 35 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.297 -0.162 25411 18699 1 35 . 1 1 17 17 GLN N N 17 117.558 117.558 118.559 -1.001 25411 18700 1 35 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.053 -0.166 25411 18701 1 35 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.753 -0.311 25411 18702 1 35 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.694 -0.649 25411 18703 1 35 . 1 1 17 17 GLN H H 17 7.849 7.849 8.112 -0.263 25411 18704 1 35 . 1 1 18 18 ALA N N 18 120.288 120.288 123.047 -2.759 25411 18705 1 35 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.178 -0.390 25411 18706 1 35 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.831 0.062 25411 18707 1 35 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.602 -1.206 25411 18708 1 35 . 1 1 18 18 ALA H H 18 8.504 8.504 8.253 0.251 25411 18709 1 35 . 1 1 19 19 LEU N N 19 116.974 116.974 118.752 -1.778 25411 18710 1 35 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.052 -0.293 25411 18711 1 35 . 1 1 19 19 LEU CA C 19 57.552 57.552 57.008 0.544 25411 18712 1 35 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.881 -1.188 25411 18713 1 35 . 1 1 19 19 LEU H H 19 8.143 8.143 8.192 -0.049 25411 18714 1 35 . 1 1 20 20 LYS N N 20 117.776 117.776 121.200 -3.424 25411 18715 1 35 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.094 -0.139 25411 18716 1 35 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.655 -0.111 25411 18717 1 35 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.452 -1.966 25411 18718 1 35 . 1 1 20 20 LYS H H 20 8.340 8.340 8.110 0.230 25411 18719 1 35 . 1 1 21 21 THR N N 21 116.373 116.373 112.248 4.125 25411 18720 1 35 . 1 1 21 21 THR HA H 21 4.107 4.107 4.232 -0.125 25411 18721 1 35 . 1 1 21 21 THR CA C 21 64.611 64.611 64.507 0.104 25411 18722 1 35 . 1 1 21 21 THR CB C 21 68.811 68.811 68.424 0.386 25411 18723 1 35 . 1 1 21 21 THR H H 21 7.302 7.302 8.012 -0.710 25411 18724 1 35 . 1 1 22 22 ARG N N 22 118.647 118.647 119.995 -1.348 25411 18725 1 35 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.486 -0.124 25411 18726 1 35 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.676 -1.611 25411 18727 1 35 . 1 1 22 22 ARG CB C 22 29.528 29.528 30.990 -1.462 25411 18728 1 35 . 1 1 22 22 ARG H H 22 7.290 7.290 7.673 -0.383 25411 18729 1 35 . 1 1 23 23 GLY N N 23 108.637 108.637 109.001 -0.364 25411 18730 1 35 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.583 0.529 25411 18731 1 35 . 1 1 23 23 GLY H H 23 7.881 7.881 7.729 0.152 25411 18732 1 35 . 1 1 24 24 VAL N N 24 117.390 117.390 120.816 -3.426 25411 18733 1 35 . 1 1 24 24 VAL HA H 24 4.014 4.014 4.252 -0.238 25411 18734 1 35 . 1 1 24 24 VAL CA C 24 61.668 61.668 60.730 0.938 25411 18735 1 35 . 1 1 24 24 VAL CB C 24 32.372 32.372 29.654 2.718 25411 18736 1 35 . 1 1 24 24 VAL H H 24 7.333 7.333 7.714 -0.381 25411 18737 1 35 . 1 1 25 25 LYS N N 25 127.322 127.322 120.135 7.187 25411 18738 1 35 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.973 0.359 25411 18739 1 35 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.517 -1.754 25411 18740 1 35 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.600 0.161 25411 18741 1 35 . 1 1 25 25 LYS H H 25 8.722 8.722 7.711 1.011 25411 18742 1 35 . 1 1 26 26 VAL N N 26 120.568 120.568 119.472 1.096 25411 18743 1 35 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.227 -0.149 25411 18744 1 35 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.164 -0.499 25411 18745 1 35 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.720 -0.073 25411 18746 1 35 . 1 1 26 26 VAL H H 26 7.119 7.119 8.101 -0.982 25411 18747 1 35 . 1 1 27 27 LYS N N 27 125.675 125.675 123.321 2.354 25411 18748 1 35 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.451 -0.125 25411 18749 1 35 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.155 0.256 25411 18750 1 35 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.881 -2.922 25411 18751 1 35 . 1 1 27 27 LYS H H 27 8.570 8.570 8.038 0.532 25411 18752 1 35 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.600 -0.583 25411 18753 1 35 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.338 -1.926 25411 18754 1 35 . 1 1 28 28 TYR CB C 28 40.840 40.840 39.307 1.533 25411 18755 1 35 . 1 1 29 29 ALA N N 29 120.743 120.743 128.203 -7.460 25411 18756 1 35 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.239 -0.571 25411 18757 1 35 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.174 -0.496 25411 18758 1 35 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.305 -1.305 25411 18759 1 35 . 1 1 29 29 ALA H H 29 8.323 8.323 8.884 -0.561 25411 18760 1 35 . 1 1 30 30 ASP N N 30 117.202 117.202 118.136 -0.934 25411 18761 1 35 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.380 -0.099 25411 18762 1 35 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.256 0.297 25411 18763 1 35 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.905 -0.098 25411 18764 1 35 . 1 1 30 30 ASP H H 30 6.872 6.872 8.705 -1.833 25411 18765 1 35 . 1 1 31 31 LEU N N 31 122.273 122.273 118.879 3.394 25411 18766 1 35 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.272 -0.726 25411 18767 1 35 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.843 -0.117 25411 18768 1 35 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.272 -1.614 25411 18769 1 35 . 1 1 31 31 LEU H H 31 7.433 7.433 7.676 -0.243 25411 18770 1 35 . 1 1 32 32 LEU N N 32 123.376 123.376 118.014 5.362 25411 18771 1 35 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.182 -0.567 25411 18772 1 35 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.963 0.133 25411 18773 1 35 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.809 -1.268 25411 18774 1 35 . 1 1 32 32 LEU H H 32 8.727 8.727 7.874 0.853 25411 18775 1 35 . 1 1 33 33 LYS N N 33 118.078 118.078 121.000 -2.922 25411 18776 1 35 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.298 -0.085 25411 18777 1 35 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.445 -0.347 25411 18778 1 35 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.110 -0.220 25411 18779 1 35 . 1 1 33 33 LYS H H 33 7.149 7.149 7.490 -0.341 25411 18780 1 35 . 1 1 34 34 PHE N N 34 117.398 117.398 120.665 -3.267 25411 18781 1 35 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.893 -5.198 25411 18782 1 35 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.101 2.118 25411 18783 1 35 . 1 1 34 34 PHE H H 34 7.633 7.633 8.142 -0.509 25411 18784 1 35 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.091 -0.298 25411 18785 1 35 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.902 -0.310 25411 18786 1 35 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.233 -2.220 25411 18787 1 35 . 1 1 36 36 ASP N N 36 120.136 120.136 120.207 -0.071 25411 18788 1 35 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.399 -0.303 25411 18789 1 35 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.645 -0.704 25411 18790 1 35 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.543 -1.439 25411 18791 1 35 . 1 1 36 36 ASP H H 36 8.330 8.330 8.669 -0.339 25411 18792 1 35 . 1 1 37 37 PHE N N 37 121.883 121.883 120.892 0.991 25411 18793 1 35 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.424 -0.166 25411 18794 1 35 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.708 -2.010 25411 18795 1 35 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.472 0.713 25411 18796 1 35 . 1 1 37 37 PHE H H 37 7.794 7.794 8.598 -0.804 25411 18797 1 35 . 1 1 38 38 VAL N N 38 118.525 118.525 119.222 -0.697 25411 18798 1 35 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.649 -0.610 25411 18799 1 35 . 1 1 38 38 VAL CA C 38 66.882 66.882 65.859 1.023 25411 18800 1 35 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.543 -0.855 25411 18801 1 35 . 1 1 38 38 VAL H H 38 8.262 8.262 7.862 0.400 25411 18802 1 35 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.877 -0.421 25411 18803 1 35 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.008 0.046 25411 18804 1 35 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.942 -0.246 25411 18805 1 35 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.286 0.159 25411 18806 1 35 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.263 0.722 25411 18807 1 35 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.454 -0.762 25411 18808 1 35 . 1 1 41 41 ILE N N 41 120.641 120.641 116.925 3.716 25411 18809 1 35 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.973 0.052 25411 18810 1 35 . 1 1 41 41 ILE CA C 41 61.652 61.652 63.355 -1.702 25411 18811 1 35 . 1 1 41 41 ILE CB C 41 38.064 38.064 39.159 -1.095 25411 18812 1 35 . 1 1 41 41 ILE H H 41 8.788 8.788 7.763 1.025 25411 18813 1 35 . 1 1 42 42 CYS N N 42 117.896 117.896 116.553 1.343 25411 18814 1 35 . 1 1 42 42 CYS CA C 42 56.172 56.172 54.993 1.179 25411 18815 1 35 . 1 1 42 42 CYS CB C 42 28.324 28.324 27.515 0.809 25411 18816 1 35 . 1 1 42 42 CYS H H 42 7.180 7.180 7.710 -0.530 25411 18817 1 35 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.053 0.262 25411 18818 1 35 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.807 0.196 25411 18819 1 35 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.357 -0.642 25411 18820 1 35 . 1 1 44 44 TRP N N 44 113.823 113.823 117.112 -3.289 25411 18821 1 35 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.284 0.021 25411 18822 1 35 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.211 -1.813 25411 18823 1 35 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.375 -1.564 25411 18824 1 35 . 1 1 44 44 TRP H H 44 6.591 6.591 7.556 -0.965 25411 18825 1 35 . 1 1 45 45 PHE N N 45 123.100 123.100 116.256 6.844 25411 18826 1 35 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.001 -1.000 25411 18827 1 35 . 1 1 45 45 PHE CA C 45 62.809 62.809 55.192 7.617 25411 18828 1 35 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.844 -3.909 25411 18829 1 35 . 1 1 45 45 PHE H H 45 7.239 7.239 7.311 -0.072 25411 18830 1 35 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.242 -0.230 25411 18831 1 35 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.377 0.154 25411 18832 1 35 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.689 -1.202 25411 18833 1 35 . 1 1 47 47 GLN N N 47 114.502 114.502 116.354 -1.852 25411 18834 1 35 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.143 -0.206 25411 18835 1 35 . 1 1 47 47 GLN CA C 47 58.404 58.404 57.860 0.544 25411 18836 1 35 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.844 0.476 25411 18837 1 35 . 1 1 47 47 GLN H H 47 6.518 6.518 8.613 -2.095 25411 18838 1 35 . 1 1 48 48 GLU N N 48 117.358 117.358 119.134 -1.776 25411 18839 1 35 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.282 -0.244 25411 18840 1 35 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.977 1.195 25411 18841 1 35 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.814 -1.860 25411 18842 1 35 . 1 1 48 48 GLU H H 48 7.318 7.318 8.055 -0.737 25411 18843 1 35 . 1 1 49 49 GLY N N 49 105.534 105.534 109.614 -4.080 25411 18844 1 35 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.749 1.554 25411 18845 1 35 . 1 1 49 49 GLY H H 49 7.296 7.296 7.935 -0.639 25411 18846 1 35 . 1 1 50 50 THR N N 50 114.069 114.069 113.954 0.115 25411 18847 1 35 . 1 1 50 50 THR HA H 50 4.234 4.234 4.685 -0.451 25411 18848 1 35 . 1 1 50 50 THR CA C 50 61.683 61.683 60.070 1.613 25411 18849 1 35 . 1 1 50 50 THR CB C 50 70.718 70.718 71.058 -0.340 25411 18850 1 35 . 1 1 50 50 THR H H 50 7.597 7.597 7.353 0.244 25411 18851 1 35 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.313 -0.188 25411 18852 1 35 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.073 -1.203 25411 18853 1 35 . 1 1 51 51 ILE CB C 51 35.288 35.288 38.822 -3.534 25411 18854 1 35 . 1 1 52 52 ASP N N 52 121.791 121.791 126.976 -5.185 25411 18855 1 35 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.881 -0.258 25411 18856 1 35 . 1 1 52 52 ASP CA C 52 51.732 51.732 53.111 -1.379 25411 18857 1 35 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.393 -1.932 25411 18858 1 35 . 1 1 52 52 ASP H H 52 7.168 7.168 8.267 -1.099 25411 18859 1 35 . 1 1 53 53 ILE N N 53 119.537 119.537 119.940 -0.403 25411 18860 1 35 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.168 -0.033 25411 18861 1 35 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.479 -0.683 25411 18862 1 35 . 1 1 53 53 ILE CB C 53 37.815 37.815 38.801 -0.986 25411 18863 1 35 . 1 1 53 53 ILE H H 53 8.336 8.336 8.378 -0.042 25411 18864 1 35 . 1 1 54 54 LYS N N 54 123.592 123.592 122.060 1.532 25411 18865 1 35 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.236 -0.131 25411 18866 1 35 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.175 -0.203 25411 18867 1 35 . 1 1 54 54 LYS CB C 54 31.748 31.748 31.943 -0.195 25411 18868 1 35 . 1 1 54 54 LYS H H 54 8.104 8.104 8.490 -0.386 25411 18869 1 35 . 1 1 55 55 ARG N N 55 120.511 120.511 120.133 0.378 25411 18870 1 35 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.142 0.159 25411 18871 1 35 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.728 0.175 25411 18872 1 35 . 1 1 55 55 ARG CB C 55 30.056 30.056 29.932 0.124 25411 18873 1 35 . 1 1 55 55 ARG H H 55 9.196 9.196 8.563 0.633 25411 18874 1 35 . 1 1 56 56 TRP N N 56 120.681 120.681 121.581 -0.900 25411 18875 1 35 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.759 -0.056 25411 18876 1 35 . 1 1 56 56 TRP CA C 56 59.406 59.406 59.773 -0.367 25411 18877 1 35 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.044 0.970 25411 18878 1 35 . 1 1 56 56 TRP H H 56 8.899 8.899 7.892 1.007 25411 18879 1 35 . 1 1 57 57 ARG N N 57 122.115 122.115 119.808 2.307 25411 18880 1 35 . 1 1 57 57 ARG HA H 57 4.407 4.407 4.093 0.314 25411 18881 1 35 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.920 0.107 25411 18882 1 35 . 1 1 57 57 ARG CB C 57 29.786 29.786 30.062 -0.276 25411 18883 1 35 . 1 1 57 57 ARG H H 57 9.210 9.210 8.355 0.855 25411 18884 1 35 . 1 1 58 58 ARG N N 58 120.918 120.918 119.631 1.287 25411 18885 1 35 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.126 0.719 25411 18886 1 35 . 1 1 58 58 ARG CB C 58 29.729 29.729 29.716 0.013 25411 18887 1 35 . 1 1 58 58 ARG H H 58 7.640 7.640 7.780 -0.140 25411 18888 1 35 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.823 -0.059 25411 18889 1 35 . 1 1 59 59 VAL CA C 59 66.000 66.000 66.110 -0.110 25411 18890 1 35 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.505 -0.673 25411 18891 1 35 . 1 1 59 59 VAL H H 59 7.916 7.916 7.657 0.259 25411 18892 1 35 . 1 1 60 60 GLY N N 60 106.856 106.856 107.061 -0.205 25411 18893 1 35 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.069 -0.988 25411 18894 1 35 . 1 1 60 60 GLY H H 60 7.623 7.623 8.327 -0.704 25411 18895 1 35 . 1 1 61 61 ASP N N 61 123.308 123.308 123.183 0.125 25411 18896 1 35 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.563 -0.338 25411 18897 1 35 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.032 -0.232 25411 18898 1 35 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.846 -1.362 25411 18899 1 35 . 1 1 61 61 ASP H H 61 8.203 8.203 8.033 0.170 25411 18900 1 35 . 1 1 62 62 CYS N N 62 120.841 120.841 118.488 2.353 25411 18901 1 35 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.111 0.127 25411 18902 1 35 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.544 -1.595 25411 18903 1 35 . 1 1 62 62 CYS CB C 62 26.503 26.503 27.165 -0.661 25411 18904 1 35 . 1 1 62 62 CYS H H 62 7.795 7.795 7.723 0.072 25411 18905 1 35 . 1 1 63 63 PHE N N 63 119.763 119.763 120.381 -0.618 25411 18906 1 35 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.304 -0.026 25411 18907 1 35 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.584 -2.927 25411 18908 1 35 . 1 1 63 63 PHE CB C 63 36.990 36.990 39.419 -2.429 25411 18909 1 35 . 1 1 63 63 PHE H H 63 8.647 8.647 8.084 0.563 25411 18910 1 35 . 1 1 64 64 GLN N N 64 118.578 118.578 119.440 -0.862 25411 18911 1 35 . 1 1 64 64 GLN HA H 64 4.308 4.308 3.979 0.329 25411 18912 1 35 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.804 0.528 25411 18913 1 35 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.261 0.318 25411 18914 1 35 . 1 1 64 64 GLN H H 64 8.261 8.261 8.473 -0.212 25411 18915 1 35 . 1 1 65 65 ASP N N 65 119.534 119.534 121.761 -2.227 25411 18916 1 35 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.288 0.196 25411 18917 1 35 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.294 0.035 25411 18918 1 35 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.914 -1.243 25411 18919 1 35 . 1 1 65 65 ASP H H 65 8.338 8.338 8.501 -0.163 25411 18920 1 35 . 1 1 66 66 TYR N N 66 123.600 123.600 121.955 1.645 25411 18921 1 35 . 1 1 66 66 TYR HA H 66 4.502 4.502 4.023 0.479 25411 18922 1 35 . 1 1 66 66 TYR CA C 66 61.231 61.231 61.925 -0.694 25411 18923 1 35 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.312 0.121 25411 18924 1 35 . 1 1 66 66 TYR H H 66 7.804 7.804 8.177 -0.373 25411 18925 1 35 . 1 1 67 67 TYR N N 67 122.825 122.825 118.734 4.091 25411 18926 1 35 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.628 0.369 25411 18927 1 35 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.423 0.480 25411 18928 1 35 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.241 0.705 25411 18929 1 35 . 1 1 67 67 TYR H H 67 9.100 9.100 8.307 0.793 25411 18930 1 35 . 1 1 68 68 ASN N N 68 118.826 118.826 117.210 1.616 25411 18931 1 35 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.206 0.077 25411 18932 1 35 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.526 -0.094 25411 18933 1 35 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.026 -0.151 25411 18934 1 35 . 1 1 68 68 ASN H H 68 8.853 8.853 8.364 0.488 25411 18935 1 35 . 1 1 69 69 THR N N 69 114.242 114.242 113.675 0.567 25411 18936 1 35 . 1 1 69 69 THR HA H 69 3.837 3.837 3.749 0.088 25411 18937 1 35 . 1 1 69 69 THR CA C 69 65.328 65.328 65.403 -0.076 25411 18938 1 35 . 1 1 69 69 THR CB C 69 69.249 69.249 68.518 0.731 25411 18939 1 35 . 1 1 69 69 THR H H 69 7.847 7.847 7.971 -0.124 25411 18940 1 35 . 1 1 70 70 PHE N N 70 117.970 117.970 117.902 0.068 25411 18941 1 35 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.597 -0.033 25411 18942 1 35 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.154 0.088 25411 18943 1 35 . 1 1 70 70 PHE CB C 70 41.074 41.074 39.594 1.480 25411 18944 1 35 . 1 1 70 70 PHE H H 70 8.489 8.489 7.247 1.242 25411 18945 1 35 . 1 1 71 71 GLY N N 71 109.516 109.516 105.634 3.882 25411 18946 1 35 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.395 0.637 25411 18947 1 35 . 1 1 71 71 GLY H H 71 7.968 7.968 7.943 0.025 25411 18948 1 35 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.393 0.318 25411 18949 1 35 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.524 0.773 25411 18950 1 35 . 1 1 72 72 PRO CB C 72 31.744 31.744 32.079 -0.335 25411 18951 1 35 . 1 1 73 73 GLU N N 73 117.720 117.720 125.115 -7.395 25411 18952 1 35 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.170 -0.271 25411 18953 1 35 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.699 0.037 25411 18954 1 35 . 1 1 73 73 GLU CB C 73 28.863 28.863 30.136 -1.272 25411 18955 1 35 . 1 1 73 73 GLU H H 73 8.586 8.586 8.832 -0.246 25411 18956 1 35 . 1 1 74 74 LYS N N 74 116.974 116.974 118.587 -1.613 25411 18957 1 35 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.488 -0.099 25411 18958 1 35 . 1 1 74 74 LYS CA C 74 55.185 55.185 56.508 -1.323 25411 18959 1 35 . 1 1 74 74 LYS CB C 74 34.087 34.087 33.101 0.986 25411 18960 1 35 . 1 1 74 74 LYS H H 74 7.505 7.505 8.343 -0.838 25411 18961 1 35 . 1 1 75 75 VAL N N 75 117.309 117.309 122.382 -5.073 25411 18962 1 35 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.439 -0.126 25411 18963 1 35 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.309 1.736 25411 18964 1 35 . 1 1 75 75 VAL CB C 75 31.984 31.984 33.501 -1.517 25411 18965 1 35 . 1 1 75 75 VAL H H 75 7.402 7.402 8.068 -0.666 25411 18966 1 35 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.667 -0.105 25411 18967 1 35 . 1 1 76 76 PRO CA C 76 61.687 61.687 63.247 -1.560 25411 18968 1 35 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.692 -0.961 25411 18969 1 35 . 1 1 77 77 VAL N N 77 120.870 120.870 124.075 -3.205 25411 18970 1 35 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.178 -0.350 25411 18971 1 35 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.112 1.726 25411 18972 1 35 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.151 -0.765 25411 18973 1 35 . 1 1 77 77 VAL H H 77 8.473 8.473 8.743 -0.270 25411 18974 1 35 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.932 -0.080 25411 18975 1 35 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.294 -3.169 25411 18976 1 35 . 1 1 78 78 ILE CB C 78 37.135 37.135 37.150 -0.015 25411 18977 1 35 . 1 1 78 78 ILE H H 78 8.388 8.388 8.245 0.143 25411 18978 1 35 . 1 1 79 79 ALA N N 79 123.960 123.960 123.626 0.334 25411 18979 1 35 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.083 -0.193 25411 18980 1 35 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.645 0.243 25411 18981 1 35 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.241 -0.618 25411 18982 1 35 . 1 1 79 79 ALA H H 79 7.953 7.953 7.668 0.284 25411 18983 1 35 . 1 1 80 80 PHE N N 80 114.330 114.330 114.579 -0.249 25411 18984 1 35 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.611 -0.180 25411 18985 1 35 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.907 1.405 25411 18986 1 35 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.443 -1.787 25411 18987 1 35 . 1 1 80 80 PHE H H 80 7.499 7.499 8.270 -0.771 25411 18988 1 35 . 1 1 81 81 SER N N 81 115.971 115.971 114.594 1.377 25411 18989 1 35 . 1 1 81 81 SER HA H 81 4.206 4.206 4.465 -0.259 25411 18990 1 35 . 1 1 81 81 SER CA C 81 58.432 58.432 59.079 -0.647 25411 18991 1 35 . 1 1 81 81 SER CB C 81 63.575 63.575 63.422 0.153 25411 18992 1 35 . 1 1 81 81 SER H H 81 8.225 8.225 7.671 0.554 25411 18993 1 35 . 1 1 82 82 TYR N N 82 121.997 121.997 123.268 -1.271 25411 18994 1 35 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.367 0.080 25411 18995 1 35 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.831 -4.946 25411 18996 1 35 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.786 -0.948 25411 18997 1 35 . 1 1 82 82 TYR H H 82 8.378 8.378 7.656 0.722 25411 18998 1 35 . 1 1 83 83 TRP N N 83 120.268 120.268 121.630 -1.362 25411 18999 1 35 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.014 -4.620 25411 19000 1 35 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.801 -0.907 25411 19001 1 35 . 1 1 83 83 TRP H H 83 8.546 8.546 9.430 -0.884 25411 19002 1 35 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.269 -0.049 25411 19003 1 35 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.557 0.072 25411 19004 1 35 . 1 1 84 84 ASN CB C 84 39.065 39.065 38.195 0.870 25411 19005 1 35 . 1 1 85 85 LEU HA H 85 4.046 4.046 3.967 0.079 25411 19006 1 35 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.025 1.117 25411 19007 1 35 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.819 -0.127 25411 19008 1 35 . 1 1 86 86 ILE N N 86 117.000 117.000 119.816 -2.816 25411 19009 1 35 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.388 0.058 25411 19010 1 35 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.404 -2.121 25411 19011 1 35 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.784 -1.372 25411 19012 1 35 . 1 1 86 86 ILE H H 86 7.882 7.882 7.396 0.486 25411 19013 1 35 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.643 -0.417 25411 19014 1 35 . 1 1 87 87 LYS CA C 87 59.996 59.996 58.627 1.369 25411 19015 1 35 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.653 -0.603 25411 19016 1 35 . 1 1 88 88 GLU N N 88 116.404 116.404 117.108 -0.704 25411 19017 1 35 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.383 -0.536 25411 19018 1 35 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.041 0.870 25411 19019 1 35 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.213 -0.244 25411 19020 1 35 . 1 1 88 88 GLU H H 88 7.689 7.689 7.610 0.079 25411 19021 1 35 . 1 1 89 89 LEU N N 89 118.193 118.193 121.707 -3.514 25411 19022 1 35 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.121 -0.232 25411 19023 1 35 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.980 0.983 25411 19024 1 35 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.175 -0.875 25411 19025 1 35 . 1 1 89 89 LEU H H 89 7.415 7.415 7.622 -0.207 25411 19026 1 35 . 1 1 90 90 ILE N N 90 115.471 115.471 119.942 -4.471 25411 19027 1 35 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.711 -0.293 25411 19028 1 35 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.012 0.896 25411 19029 1 35 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.660 -0.066 25411 19030 1 35 . 1 1 90 90 ILE H H 90 7.718 7.718 7.573 0.145 25411 19031 1 35 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.492 -0.772 25411 19032 1 35 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.976 0.688 25411 19033 1 35 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.073 0.459 25411 19034 1 35 . 1 1 92 92 LYS N N 92 119.253 119.253 118.779 0.474 25411 19035 1 35 . 1 1 92 92 LYS CA C 92 58.897 58.897 57.433 1.464 25411 19036 1 35 . 1 1 92 92 LYS CB C 92 31.988 31.988 31.995 -0.007 25411 19037 1 35 . 1 1 92 92 LYS H H 92 7.869 7.869 7.583 0.286 25411 19038 1 35 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.982 0.549 25411 19039 1 35 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.758 -3.500 25411 19040 1 35 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.948 0.221 25411 19041 1 35 . 1 1 94 94 GLU N N 94 116.729 116.729 120.537 -3.808 25411 19042 1 35 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.100 0.033 25411 19043 1 35 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.003 0.316 25411 19044 1 35 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.250 -1.875 25411 19045 1 35 . 1 1 94 94 GLU H H 94 8.393 8.393 7.856 0.537 25411 19046 1 35 . 1 1 95 95 VAL N N 95 121.696 121.696 117.205 4.491 25411 19047 1 35 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.879 0.603 25411 19048 1 35 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.663 3.058 25411 19049 1 35 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.506 1.388 25411 19050 1 35 . 1 1 95 95 VAL H H 95 7.923 7.923 7.722 0.201 25411 19051 1 35 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.792 -0.434 25411 19052 1 35 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.199 0.408 25411 19053 1 35 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.880 -1.006 25411 19054 1 35 . 1 1 98 98 GLN N N 98 117.731 117.731 119.459 -1.728 25411 19055 1 35 . 1 1 98 98 GLN HA H 98 3.925 3.925 3.952 -0.027 25411 19056 1 35 . 1 1 98 98 GLN CA C 98 58.608 58.608 59.020 -0.412 25411 19057 1 35 . 1 1 98 98 GLN CB C 98 28.521 28.521 28.368 0.153 25411 19058 1 35 . 1 1 98 98 GLN H H 98 8.359 8.359 8.474 -0.115 25411 19059 1 35 . 1 1 99 99 VAL N N 99 121.326 121.326 118.085 3.241 25411 19060 1 35 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.757 -0.337 25411 19061 1 35 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.595 0.809 25411 19062 1 35 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.000 0.619 25411 19063 1 35 . 1 1 99 99 VAL H H 99 7.901 7.901 8.192 -0.291 25411 19064 1 35 . 1 1 100 100 MET N N 100 120.447 120.447 116.769 3.678 25411 19065 1 35 . 1 1 100 100 MET HA H 100 3.812 3.812 4.298 -0.486 25411 19066 1 35 . 1 1 100 100 MET CA C 100 59.297 59.297 58.301 0.996 25411 19067 1 35 . 1 1 100 100 MET CB C 100 32.099 32.099 32.926 -0.827 25411 19068 1 35 . 1 1 100 100 MET H H 100 7.509 7.509 7.591 -0.082 25411 19069 1 35 . 1 1 101 101 ALA N N 101 119.458 119.458 122.304 -2.846 25411 19070 1 35 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.137 0.073 25411 19071 1 35 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.749 0.003 25411 19072 1 35 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.337 -0.816 25411 19073 1 35 . 1 1 101 101 ALA H H 101 7.889 7.889 7.599 0.290 25411 19074 1 35 . 1 1 102 102 ALA N N 102 119.627 119.627 120.422 -0.795 25411 19075 1 35 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.147 -0.154 25411 19076 1 35 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.749 0.139 25411 19077 1 35 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.303 -0.959 25411 19078 1 35 . 1 1 102 102 ALA H H 102 7.563 7.563 8.325 -0.762 25411 19079 1 35 . 1 1 103 103 VAL N N 103 122.690 122.690 118.265 4.425 25411 19080 1 35 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.830 0.243 25411 19081 1 35 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.972 -4.287 25411 19082 1 35 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.260 1.962 25411 19083 1 35 . 1 1 103 103 VAL H H 103 8.828 8.828 7.863 0.965 25411 19084 1 35 . 1 1 104 104 ALA N N 104 128.041 128.041 120.118 7.923 25411 19085 1 35 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.156 0.113 25411 19086 1 35 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.717 -2.576 25411 19087 1 35 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.479 0.461 25411 19088 1 35 . 1 1 104 104 ALA H H 104 8.367 8.367 7.486 0.881 25411 19089 1 35 . 1 1 105 105 GLN N N 105 120.265 120.265 116.511 3.754 25411 19090 1 35 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.522 -0.591 25411 19091 1 35 . 1 1 105 105 GLN CB C 105 29.020 29.020 29.789 -0.769 25411 19092 1 35 . 1 1 105 105 GLN H H 105 8.356 8.356 7.686 0.670 25411 19093 1 35 . 1 1 106 106 THR HA H 106 4.320 4.320 4.256 0.064 25411 19094 1 35 . 1 1 106 106 THR CA C 106 61.346 61.346 64.278 -2.932 25411 19095 1 35 . 1 1 106 106 THR CB C 106 69.293 69.293 69.149 0.144 25411 19096 1 35 . 1 1 107 107 GLU N N 107 122.706 122.706 120.121 2.585 25411 19097 1 35 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.221 -0.039 25411 19098 1 35 . 1 1 107 107 GLU CA C 107 56.576 56.576 58.473 -1.897 25411 19099 1 35 . 1 1 107 107 GLU CB C 107 29.936 29.936 30.687 -0.751 25411 19100 1 35 . 1 1 107 107 GLU H H 107 8.404 8.404 7.598 0.806 25411 19101 1 35 . 1 1 108 108 GLU N N 108 122.034 122.034 115.325 6.709 25411 19102 1 35 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.184 -0.023 25411 19103 1 35 . 1 1 108 108 GLU CA C 108 56.649 56.649 56.991 -0.342 25411 19104 1 35 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.564 0.113 25411 19105 1 35 . 1 1 108 108 GLU H H 108 7.341 7.341 7.625 -0.284 25411 19106 1 35 . 1 1 109 109 ILE N N 109 122.151 122.151 117.369 4.782 25411 19107 1 35 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.146 -0.099 25411 19108 1 35 . 1 1 109 109 ILE CA C 109 61.565 61.565 63.683 -2.118 25411 19109 1 35 . 1 1 109 109 ILE CB C 109 38.104 38.104 37.904 0.200 25411 19110 1 35 . 1 1 109 109 ILE H H 109 8.058 8.058 8.848 -0.790 25411 19111 1 35 . 1 1 110 110 LEU N N 110 122.427 122.427 119.037 3.390 25411 19112 1 35 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.123 0.153 25411 19113 1 35 . 1 1 110 110 LEU CA C 110 55.151 55.151 55.293 -0.142 25411 19114 1 35 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.531 -8.276 25411 19115 1 35 . 1 1 110 110 LEU H H 110 8.194 8.194 7.991 0.203 25411 19116 1 35 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.284 -0.037 25411 19117 1 35 . 1 1 111 111 LYS CA C 111 56.137 56.137 58.067 -1.930 25411 19118 1 35 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.465 0.104 25411 19119 1 35 . 1 1 112 112 SER N N 112 116.453 116.453 113.729 2.724 25411 19120 1 35 . 1 1 112 112 SER HA H 112 4.175 4.175 4.014 0.161 25411 19121 1 35 . 1 1 112 112 SER CA C 112 58.311 58.311 60.697 -2.386 25411 19122 1 35 . 1 1 112 112 SER CB C 112 63.441 63.441 62.371 1.070 25411 19123 1 35 . 1 1 112 112 SER H H 112 8.204 8.204 8.292 -0.088 25411 19124 1 35 . 1 1 113 113 ASN N N 113 119.747 119.747 116.504 3.243 25411 19125 1 35 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.811 -0.167 25411 19126 1 35 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.778 0.867 25411 19127 1 35 . 1 1 113 113 ASN CB C 113 38.646 38.646 38.969 -0.323 25411 19128 1 35 . 1 1 113 113 ASN H H 113 7.944 7.944 7.957 -0.013 25411 19129 1 35 . 1 1 114 114 SER N N 114 115.433 115.433 115.849 -0.416 25411 19130 1 35 . 1 1 114 114 SER HA H 114 4.336 4.336 4.255 0.081 25411 19131 1 35 . 1 1 114 114 SER CA C 114 58.711 58.711 59.377 -0.666 25411 19132 1 35 . 1 1 114 114 SER CB C 114 63.308 63.308 63.073 0.235 25411 19133 1 35 . 1 1 114 114 SER H H 114 7.962 7.962 8.406 -0.444 25411 19134 1 35 . 1 1 115 115 GLN N N 115 121.682 121.682 120.258 1.424 25411 19135 1 35 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.342 -0.068 25411 19136 1 35 . 1 1 115 115 GLN CA C 115 56.193 56.193 56.371 -0.178 25411 19137 1 35 . 1 1 115 115 GLN CB C 115 28.807 28.807 30.023 -1.216 25411 19138 1 35 . 1 1 115 115 GLN H H 115 8.207 8.207 7.794 0.413 25411 19139 1 35 . 1 1 116 116 THR N N 116 114.715 114.715 112.798 1.917 25411 19140 1 35 . 1 1 116 116 THR HA H 116 4.225 4.225 4.546 -0.321 25411 19141 1 35 . 1 1 116 116 THR CA C 116 62.109 62.109 60.380 1.729 25411 19142 1 35 . 1 1 116 116 THR CB C 116 69.336 69.336 71.601 -2.265 25411 19143 1 35 . 1 1 116 116 THR H H 116 8.062 8.062 8.068 -0.006 25411 19144 1 35 . 1 1 117 117 ASP N N 117 122.602 122.602 122.008 0.594 25411 19145 1 35 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.463 0.105 25411 19146 1 35 . 1 1 117 117 ASP CA C 117 54.204 54.204 57.496 -3.292 25411 19147 1 35 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.403 0.262 25411 19148 1 35 . 1 1 117 117 ASP H H 117 8.065 8.065 8.602 -0.537 25411 19149 1 35 . 1 1 118 118 LEU N N 118 122.140 122.140 119.684 2.456 25411 19150 1 35 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.020 0.135 25411 19151 1 35 . 1 1 118 118 LEU CA C 118 55.423 55.423 55.678 -0.255 25411 19152 1 35 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.382 0.492 25411 19153 1 35 . 1 1 118 118 LEU H H 118 8.085 8.085 7.827 0.258 25411 19154 1 35 . 1 1 119 119 GLU N N 119 119.672 119.672 116.421 3.251 25411 19155 1 35 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.016 0.052 25411 19156 1 35 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.967 -1.402 25411 19157 1 35 . 1 1 119 119 GLU CB C 119 29.572 29.572 28.397 1.175 25411 19158 1 35 . 1 1 119 119 GLU H H 119 8.143 8.143 8.076 0.067 25411 19159 1 35 . 1 1 120 120 HIS N N 120 118.301 118.301 121.062 -2.761 25411 19160 1 35 . 1 1 120 120 HIS CA C 120 55.883 55.883 56.833 -0.950 25411 19161 1 35 . 1 1 120 120 HIS CB C 120 29.270 29.270 30.308 -1.038 25411 19162 1 35 . 1 1 120 120 HIS H H 120 8.107 8.107 8.606 -0.499 25411 19163 1 35 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.530 -0.522 25411 19164 1 35 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.137 0.029 25411 19165 1 35 . 1 1 121 121 HIS CB C 121 28.759 28.759 28.209 0.550 25411 19166 1 35 . 1 1 122 122 HIS N N 122 122.407 122.407 121.993 0.414 25411 19167 1 35 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.748 -0.530 25411 19168 1 35 . 1 1 122 122 HIS CA C 122 56.081 56.081 56.745 -0.664 25411 19169 1 35 . 1 1 122 122 HIS CB C 122 29.371 29.371 28.799 0.572 25411 19170 1 35 . 1 1 122 122 HIS H H 122 8.489 8.489 8.628 -0.139 25411 19171 1 35 . 1 1 123 123 HIS N N 123 122.868 122.868 123.771 -0.903 25411 19172 1 35 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.944 -0.557 25411 19173 1 35 . 1 1 123 123 HIS CA C 123 56.310 56.310 55.101 1.209 25411 19174 1 35 . 1 1 123 123 HIS CB C 123 29.502 29.502 31.051 -1.549 25411 19175 1 35 . 1 1 123 123 HIS H H 123 8.596 8.596 8.748 -0.152 25411 19176 1 35 . 1 1 124 124 HIS N N 124 123.734 123.734 121.293 2.441 25411 19177 1 35 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.896 -0.339 25411 19178 1 35 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.462 0.923 25411 19179 1 35 . 1 1 124 124 HIS CB C 124 29.358 29.358 29.932 -0.574 25411 19180 1 35 . 1 1 124 124 HIS H H 124 8.255 8.255 8.402 -0.147 25411 19181 1 36 . 1 1 3 3 GLN N N 3 122.360 122.360 120.678 1.682 25411 19182 1 36 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.293 -0.405 25411 19183 1 36 . 1 1 3 3 GLN CA C 3 58.742 58.742 57.452 1.290 25411 19184 1 36 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.810 -0.427 25411 19185 1 36 . 1 1 3 3 GLN H H 3 9.398 9.398 8.633 0.765 25411 19186 1 36 . 1 1 4 4 GLU N N 4 119.689 119.689 119.861 -0.172 25411 19187 1 36 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.230 0.444 25411 19188 1 36 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.359 0.448 25411 19189 1 36 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.927 -0.227 25411 19190 1 36 . 1 1 4 4 GLU H H 4 7.464 7.464 8.824 -1.360 25411 19191 1 36 . 1 1 5 5 LEU N N 5 114.872 114.872 122.557 -7.685 25411 19192 1 36 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.123 -0.422 25411 19193 1 36 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.235 -0.497 25411 19194 1 36 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.954 -1.139 25411 19195 1 36 . 1 1 5 5 LEU H H 5 8.206 8.206 7.732 0.474 25411 19196 1 36 . 1 1 6 6 SER N N 6 109.762 109.762 112.605 -2.843 25411 19197 1 36 . 1 1 6 6 SER HA H 6 4.092 4.092 4.215 -0.123 25411 19198 1 36 . 1 1 6 6 SER CA C 6 60.415 60.415 61.169 -0.753 25411 19199 1 36 . 1 1 6 6 SER CB C 6 63.391 63.391 63.089 0.302 25411 19200 1 36 . 1 1 6 6 SER H H 6 8.253 8.253 7.887 0.366 25411 19201 1 36 . 1 1 7 7 GLN N N 7 117.498 117.498 121.737 -4.239 25411 19202 1 36 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.127 -0.172 25411 19203 1 36 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.790 -0.365 25411 19204 1 36 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.300 0.439 25411 19205 1 36 . 1 1 7 7 GLN H H 7 8.673 8.673 7.965 0.708 25411 19206 1 36 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.301 -0.504 25411 19207 1 36 . 1 1 8 8 HIS CA C 8 59.055 59.055 60.220 -1.165 25411 19208 1 36 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.065 -0.956 25411 19209 1 36 . 1 1 9 9 GLU N N 9 120.354 120.354 119.796 0.558 25411 19210 1 36 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.110 -0.151 25411 19211 1 36 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.628 0.630 25411 19212 1 36 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.725 -0.498 25411 19213 1 36 . 1 1 9 9 GLU H H 9 7.690 7.690 8.408 -0.718 25411 19214 1 36 . 1 1 10 10 ARG N N 10 118.753 118.753 119.639 -0.886 25411 19215 1 36 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.078 0.021 25411 19216 1 36 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.443 -1.222 25411 19217 1 36 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.286 -1.191 25411 19218 1 36 . 1 1 10 10 ARG H H 10 8.928 8.928 7.940 0.988 25411 19219 1 36 . 1 1 11 11 TYR N N 11 121.288 121.288 120.138 1.150 25411 19220 1 36 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.193 -0.004 25411 19221 1 36 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.209 -0.973 25411 19222 1 36 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.314 -0.453 25411 19223 1 36 . 1 1 11 11 TYR H H 11 7.562 7.562 8.767 -1.205 25411 19224 1 36 . 1 1 12 12 VAL N N 12 119.304 119.304 119.529 -0.225 25411 19225 1 36 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.723 -0.640 25411 19226 1 36 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.588 0.247 25411 19227 1 36 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.248 -0.149 25411 19228 1 36 . 1 1 12 12 VAL H H 12 8.075 8.075 8.205 -0.130 25411 19229 1 36 . 1 1 13 13 GLU N N 13 119.685 119.685 119.829 -0.144 25411 19230 1 36 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.061 0.094 25411 19231 1 36 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.380 0.045 25411 19232 1 36 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.236 -0.048 25411 19233 1 36 . 1 1 13 13 GLU H H 13 8.278 8.278 7.693 0.585 25411 19234 1 36 . 1 1 14 14 GLN N N 14 119.682 119.682 120.176 -0.494 25411 19235 1 36 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.048 -0.392 25411 19236 1 36 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.623 1.346 25411 19237 1 36 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.215 1.458 25411 19238 1 36 . 1 1 14 14 GLN H H 14 7.653 7.653 8.279 -0.626 25411 19239 1 36 . 1 1 15 15 LEU N N 15 121.000 121.000 118.602 2.398 25411 19240 1 36 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.056 -0.135 25411 19241 1 36 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.401 1.054 25411 19242 1 36 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.092 -0.332 25411 19243 1 36 . 1 1 15 15 LEU H H 15 8.402 8.402 8.710 -0.308 25411 19244 1 36 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.909 -0.213 25411 19245 1 36 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.367 -0.109 25411 19246 1 36 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.309 -0.174 25411 19247 1 36 . 1 1 17 17 GLN N N 17 117.558 117.558 118.545 -0.987 25411 19248 1 36 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.074 -0.187 25411 19249 1 36 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.699 -0.257 25411 19250 1 36 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.743 -0.698 25411 19251 1 36 . 1 1 17 17 GLN H H 17 7.849 7.849 7.980 -0.131 25411 19252 1 36 . 1 1 18 18 ALA N N 18 120.288 120.288 123.102 -2.814 25411 19253 1 36 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.166 -0.378 25411 19254 1 36 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.869 0.024 25411 19255 1 36 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.631 -1.235 25411 19256 1 36 . 1 1 18 18 ALA H H 18 8.504 8.504 8.382 0.122 25411 19257 1 36 . 1 1 19 19 LEU N N 19 116.974 116.974 118.290 -1.316 25411 19258 1 36 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.086 -0.327 25411 19259 1 36 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.870 0.682 25411 19260 1 36 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.868 -1.175 25411 19261 1 36 . 1 1 19 19 LEU H H 19 8.143 8.143 8.266 -0.123 25411 19262 1 36 . 1 1 20 20 LYS N N 20 117.776 117.776 121.903 -4.127 25411 19263 1 36 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.082 -0.127 25411 19264 1 36 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.558 -0.014 25411 19265 1 36 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.440 -1.954 25411 19266 1 36 . 1 1 20 20 LYS H H 20 8.340 8.340 8.117 0.223 25411 19267 1 36 . 1 1 21 21 THR N N 21 116.373 116.373 111.355 5.018 25411 19268 1 36 . 1 1 21 21 THR HA H 21 4.107 4.107 4.200 -0.093 25411 19269 1 36 . 1 1 21 21 THR CA C 21 64.611 64.611 64.319 0.292 25411 19270 1 36 . 1 1 21 21 THR CB C 21 68.811 68.811 68.556 0.254 25411 19271 1 36 . 1 1 21 21 THR H H 21 7.302 7.302 7.991 -0.689 25411 19272 1 36 . 1 1 22 22 ARG N N 22 118.647 118.647 119.588 -0.941 25411 19273 1 36 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.451 -0.089 25411 19274 1 36 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.788 -1.723 25411 19275 1 36 . 1 1 22 22 ARG CB C 22 29.528 29.528 30.993 -1.465 25411 19276 1 36 . 1 1 22 22 ARG H H 22 7.290 7.290 7.740 -0.450 25411 19277 1 36 . 1 1 23 23 GLY N N 23 108.637 108.637 107.934 0.703 25411 19278 1 36 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.596 0.516 25411 19279 1 36 . 1 1 23 23 GLY H H 23 7.881 7.881 7.714 0.167 25411 19280 1 36 . 1 1 24 24 VAL N N 24 117.390 117.390 122.845 -5.455 25411 19281 1 36 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.808 0.206 25411 19282 1 36 . 1 1 24 24 VAL CA C 24 61.668 61.668 62.772 -1.104 25411 19283 1 36 . 1 1 24 24 VAL CB C 24 32.372 32.372 29.251 3.121 25411 19284 1 36 . 1 1 24 24 VAL H H 24 7.333 7.333 7.537 -0.204 25411 19285 1 36 . 1 1 25 25 LYS N N 25 127.322 127.322 119.975 7.347 25411 19286 1 36 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.905 0.427 25411 19287 1 36 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.761 -1.999 25411 19288 1 36 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.214 0.547 25411 19289 1 36 . 1 1 25 25 LYS H H 25 8.722 8.722 8.355 0.367 25411 19290 1 36 . 1 1 26 26 VAL N N 26 120.568 120.568 120.887 -0.319 25411 19291 1 36 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.252 -0.174 25411 19292 1 36 . 1 1 26 26 VAL CA C 26 60.665 60.665 60.660 0.005 25411 19293 1 36 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.766 -0.119 25411 19294 1 36 . 1 1 26 26 VAL H H 26 7.119 7.119 8.238 -1.119 25411 19295 1 36 . 1 1 27 27 LYS N N 27 125.675 125.675 124.023 1.652 25411 19296 1 36 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.408 -0.082 25411 19297 1 36 . 1 1 27 27 LYS CA C 27 55.411 55.411 54.840 0.571 25411 19298 1 36 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.712 -2.753 25411 19299 1 36 . 1 1 27 27 LYS H H 27 8.570 8.570 8.029 0.541 25411 19300 1 36 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.600 -0.583 25411 19301 1 36 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.444 -2.032 25411 19302 1 36 . 1 1 28 28 TYR CB C 28 40.840 40.840 39.269 1.571 25411 19303 1 36 . 1 1 29 29 ALA N N 29 120.743 120.743 128.053 -7.310 25411 19304 1 36 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.177 -0.509 25411 19305 1 36 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.150 -0.472 25411 19306 1 36 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.303 -1.303 25411 19307 1 36 . 1 1 29 29 ALA H H 29 8.323 8.323 8.886 -0.563 25411 19308 1 36 . 1 1 30 30 ASP N N 30 117.202 117.202 117.980 -0.778 25411 19309 1 36 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.403 -0.122 25411 19310 1 36 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.131 0.422 25411 19311 1 36 . 1 1 30 30 ASP CB C 30 39.807 39.807 40.038 -0.232 25411 19312 1 36 . 1 1 30 30 ASP H H 30 6.872 6.872 8.644 -1.772 25411 19313 1 36 . 1 1 31 31 LEU N N 31 122.273 122.273 118.971 3.302 25411 19314 1 36 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.293 -0.747 25411 19315 1 36 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.852 -0.127 25411 19316 1 36 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.288 -1.630 25411 19317 1 36 . 1 1 31 31 LEU H H 31 7.433 7.433 7.663 -0.230 25411 19318 1 36 . 1 1 32 32 LEU N N 32 123.376 123.376 117.533 5.843 25411 19319 1 36 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.217 -0.602 25411 19320 1 36 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.493 0.603 25411 19321 1 36 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.883 -1.341 25411 19322 1 36 . 1 1 32 32 LEU H H 32 8.727 8.727 7.962 0.765 25411 19323 1 36 . 1 1 33 33 LYS N N 33 118.078 118.078 121.098 -3.020 25411 19324 1 36 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.134 0.079 25411 19325 1 36 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.817 -0.719 25411 19326 1 36 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.149 -0.259 25411 19327 1 36 . 1 1 33 33 LYS H H 33 7.149 7.149 7.910 -0.761 25411 19328 1 36 . 1 1 34 34 PHE N N 34 117.398 117.398 120.234 -2.836 25411 19329 1 36 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.730 -5.035 25411 19330 1 36 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.195 2.024 25411 19331 1 36 . 1 1 34 34 PHE H H 34 7.633 7.633 7.822 -0.189 25411 19332 1 36 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.067 -0.274 25411 19333 1 36 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.950 -0.358 25411 19334 1 36 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.249 -2.235 25411 19335 1 36 . 1 1 36 36 ASP N N 36 120.136 120.136 119.931 0.205 25411 19336 1 36 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.479 -0.383 25411 19337 1 36 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.661 -0.720 25411 19338 1 36 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.562 -1.458 25411 19339 1 36 . 1 1 36 36 ASP H H 36 8.330 8.330 8.879 -0.549 25411 19340 1 36 . 1 1 37 37 PHE N N 37 121.883 121.883 120.709 1.174 25411 19341 1 36 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.432 -0.174 25411 19342 1 36 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.484 -1.786 25411 19343 1 36 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.542 0.643 25411 19344 1 36 . 1 1 37 37 PHE H H 37 7.794 7.794 8.387 -0.593 25411 19345 1 36 . 1 1 38 38 VAL N N 38 118.525 118.525 118.760 -0.235 25411 19346 1 36 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.636 -0.597 25411 19347 1 36 . 1 1 38 38 VAL CA C 38 66.882 66.882 65.596 1.286 25411 19348 1 36 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.134 -0.446 25411 19349 1 36 . 1 1 38 38 VAL H H 38 8.262 8.262 7.713 0.549 25411 19350 1 36 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.897 -0.441 25411 19351 1 36 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.035 0.019 25411 19352 1 36 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.952 -0.256 25411 19353 1 36 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.435 0.010 25411 19354 1 36 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.298 0.687 25411 19355 1 36 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.639 -0.947 25411 19356 1 36 . 1 1 41 41 ILE N N 41 120.641 120.641 116.624 4.017 25411 19357 1 36 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.964 0.061 25411 19358 1 36 . 1 1 41 41 ILE CA C 41 61.652 61.652 63.590 -1.938 25411 19359 1 36 . 1 1 41 41 ILE CB C 41 38.064 38.064 39.365 -1.301 25411 19360 1 36 . 1 1 41 41 ILE H H 41 8.788 8.788 7.611 1.177 25411 19361 1 36 . 1 1 42 42 CYS N N 42 117.896 117.896 114.105 3.791 25411 19362 1 36 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.197 0.975 25411 19363 1 36 . 1 1 42 42 CYS CB C 42 28.324 28.324 27.243 1.081 25411 19364 1 36 . 1 1 42 42 CYS H H 42 7.180 7.180 7.663 -0.483 25411 19365 1 36 . 1 1 43 43 PRO HA H 43 4.315 4.315 3.946 0.369 25411 19366 1 36 . 1 1 43 43 PRO CA C 43 65.003 65.003 65.035 -0.032 25411 19367 1 36 . 1 1 43 43 PRO CB C 43 30.715 30.715 30.867 -0.152 25411 19368 1 36 . 1 1 44 44 TRP N N 44 113.823 113.823 115.476 -1.653 25411 19369 1 36 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.383 -0.078 25411 19370 1 36 . 1 1 44 44 TRP CA C 44 55.398 55.398 56.988 -1.590 25411 19371 1 36 . 1 1 44 44 TRP CB C 44 27.811 27.811 28.987 -1.176 25411 19372 1 36 . 1 1 44 44 TRP H H 44 6.591 6.591 7.440 -0.849 25411 19373 1 36 . 1 1 45 45 PHE N N 45 123.100 123.100 116.675 6.425 25411 19374 1 36 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.020 -1.019 25411 19375 1 36 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.504 8.305 25411 19376 1 36 . 1 1 45 45 PHE CB C 45 34.935 34.935 37.868 -2.933 25411 19377 1 36 . 1 1 45 45 PHE H H 45 7.239 7.239 7.569 -0.330 25411 19378 1 36 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.166 -0.154 25411 19379 1 36 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.907 -0.376 25411 19380 1 36 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.742 -1.255 25411 19381 1 36 . 1 1 47 47 GLN N N 47 114.502 114.502 117.834 -3.332 25411 19382 1 36 . 1 1 47 47 GLN HA H 47 3.937 3.937 3.997 -0.060 25411 19383 1 36 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.660 -0.256 25411 19384 1 36 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.042 1.278 25411 19385 1 36 . 1 1 47 47 GLN H H 47 6.518 6.518 8.671 -2.153 25411 19386 1 36 . 1 1 48 48 GLU N N 48 117.358 117.358 117.977 -0.619 25411 19387 1 36 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.171 -0.133 25411 19388 1 36 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.544 1.628 25411 19389 1 36 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.103 -1.149 25411 19390 1 36 . 1 1 48 48 GLU H H 48 7.318 7.318 7.992 -0.674 25411 19391 1 36 . 1 1 49 49 GLY N N 49 105.534 105.534 108.958 -3.424 25411 19392 1 36 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.882 1.421 25411 19393 1 36 . 1 1 49 49 GLY H H 49 7.296 7.296 7.710 -0.414 25411 19394 1 36 . 1 1 50 50 THR N N 50 114.069 114.069 113.287 0.782 25411 19395 1 36 . 1 1 50 50 THR HA H 50 4.234 4.234 4.491 -0.257 25411 19396 1 36 . 1 1 50 50 THR CA C 50 61.683 61.683 60.950 0.733 25411 19397 1 36 . 1 1 50 50 THR CB C 50 70.718 70.718 70.888 -0.169 25411 19398 1 36 . 1 1 50 50 THR H H 50 7.597 7.597 7.370 0.227 25411 19399 1 36 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.441 -0.316 25411 19400 1 36 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.055 -1.185 25411 19401 1 36 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.151 -3.863 25411 19402 1 36 . 1 1 52 52 ASP N N 52 121.791 121.791 128.047 -6.256 25411 19403 1 36 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.784 -0.161 25411 19404 1 36 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.960 -1.228 25411 19405 1 36 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.193 -1.732 25411 19406 1 36 . 1 1 52 52 ASP H H 52 7.168 7.168 8.189 -1.021 25411 19407 1 36 . 1 1 53 53 ILE N N 53 119.537 119.537 119.909 -0.372 25411 19408 1 36 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.309 -0.174 25411 19409 1 36 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.129 -0.333 25411 19410 1 36 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.971 -2.156 25411 19411 1 36 . 1 1 53 53 ILE H H 53 8.336 8.336 8.260 0.076 25411 19412 1 36 . 1 1 54 54 LYS N N 54 123.592 123.592 121.816 1.776 25411 19413 1 36 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.203 -0.098 25411 19414 1 36 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.211 -0.239 25411 19415 1 36 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.244 -0.496 25411 19416 1 36 . 1 1 54 54 LYS H H 54 8.104 8.104 8.222 -0.118 25411 19417 1 36 . 1 1 55 55 ARG N N 55 120.511 120.511 119.139 1.372 25411 19418 1 36 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.146 0.155 25411 19419 1 36 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.632 0.271 25411 19420 1 36 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.308 -0.252 25411 19421 1 36 . 1 1 55 55 ARG H H 55 9.196 9.196 8.532 0.664 25411 19422 1 36 . 1 1 56 56 TRP N N 56 120.681 120.681 121.002 -0.321 25411 19423 1 36 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.756 -0.053 25411 19424 1 36 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.176 -0.770 25411 19425 1 36 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.222 0.792 25411 19426 1 36 . 1 1 56 56 TRP H H 56 8.899 8.899 7.972 0.927 25411 19427 1 36 . 1 1 57 57 ARG N N 57 122.115 122.115 118.755 3.360 25411 19428 1 36 . 1 1 57 57 ARG HA H 57 4.407 4.407 4.276 0.131 25411 19429 1 36 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.373 0.654 25411 19430 1 36 . 1 1 57 57 ARG CB C 57 29.786 29.786 30.074 -0.288 25411 19431 1 36 . 1 1 57 57 ARG H H 57 9.210 9.210 8.400 0.810 25411 19432 1 36 . 1 1 58 58 ARG N N 58 120.918 120.918 119.454 1.464 25411 19433 1 36 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.922 -0.077 25411 19434 1 36 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.280 -0.551 25411 19435 1 36 . 1 1 58 58 ARG H H 58 7.640 7.640 7.713 -0.073 25411 19436 1 36 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.665 0.099 25411 19437 1 36 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.671 0.329 25411 19438 1 36 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.427 -0.595 25411 19439 1 36 . 1 1 59 59 VAL H H 59 7.916 7.916 7.767 0.149 25411 19440 1 36 . 1 1 60 60 GLY N N 60 106.856 106.856 107.114 -0.258 25411 19441 1 36 . 1 1 60 60 GLY CA C 60 46.081 46.081 46.939 -0.858 25411 19442 1 36 . 1 1 60 60 GLY H H 60 7.623 7.623 8.179 -0.556 25411 19443 1 36 . 1 1 61 61 ASP N N 61 123.308 123.308 122.285 1.023 25411 19444 1 36 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.496 -0.271 25411 19445 1 36 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.788 0.013 25411 19446 1 36 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.642 -1.158 25411 19447 1 36 . 1 1 61 61 ASP H H 61 8.203 8.203 7.604 0.599 25411 19448 1 36 . 1 1 62 62 CYS N N 62 120.841 120.841 118.830 2.011 25411 19449 1 36 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.022 0.216 25411 19450 1 36 . 1 1 62 62 CYS CA C 62 62.950 62.950 63.778 -0.828 25411 19451 1 36 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.883 -0.380 25411 19452 1 36 . 1 1 62 62 CYS H H 62 7.795 7.795 7.440 0.355 25411 19453 1 36 . 1 1 63 63 PHE N N 63 119.763 119.763 118.111 1.652 25411 19454 1 36 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.324 -0.047 25411 19455 1 36 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.083 -2.425 25411 19456 1 36 . 1 1 63 63 PHE CB C 63 36.990 36.990 37.862 -0.872 25411 19457 1 36 . 1 1 63 63 PHE H H 63 8.647 8.647 7.549 1.098 25411 19458 1 36 . 1 1 64 64 GLN N N 64 118.578 118.578 119.951 -1.373 25411 19459 1 36 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.302 0.006 25411 19460 1 36 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.678 0.655 25411 19461 1 36 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.410 0.170 25411 19462 1 36 . 1 1 64 64 GLN H H 64 8.261 8.261 8.336 -0.075 25411 19463 1 36 . 1 1 65 65 ASP N N 65 119.534 119.534 122.006 -2.472 25411 19464 1 36 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.417 0.067 25411 19465 1 36 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.407 -0.078 25411 19466 1 36 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.873 -1.202 25411 19467 1 36 . 1 1 65 65 ASP H H 65 8.338 8.338 8.515 -0.177 25411 19468 1 36 . 1 1 66 66 TYR N N 66 123.600 123.600 121.952 1.648 25411 19469 1 36 . 1 1 66 66 TYR HA H 66 4.502 4.502 4.107 0.395 25411 19470 1 36 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.228 -0.997 25411 19471 1 36 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.627 -0.194 25411 19472 1 36 . 1 1 66 66 TYR H H 66 7.804 7.804 8.233 -0.429 25411 19473 1 36 . 1 1 67 67 TYR N N 67 122.825 122.825 118.996 3.829 25411 19474 1 36 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.969 0.028 25411 19475 1 36 . 1 1 67 67 TYR CA C 67 61.903 61.903 62.089 -0.186 25411 19476 1 36 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.689 0.257 25411 19477 1 36 . 1 1 67 67 TYR H H 67 9.100 9.100 8.627 0.473 25411 19478 1 36 . 1 1 68 68 ASN N N 68 118.826 118.826 117.409 1.417 25411 19479 1 36 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.398 -0.115 25411 19480 1 36 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.663 -0.231 25411 19481 1 36 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.149 -0.273 25411 19482 1 36 . 1 1 68 68 ASN H H 68 8.853 8.853 8.590 0.263 25411 19483 1 36 . 1 1 69 69 THR N N 69 114.242 114.242 113.587 0.655 25411 19484 1 36 . 1 1 69 69 THR HA H 69 3.837 3.837 3.796 0.041 25411 19485 1 36 . 1 1 69 69 THR CA C 69 65.328 65.328 65.463 -0.135 25411 19486 1 36 . 1 1 69 69 THR CB C 69 69.249 69.249 68.517 0.732 25411 19487 1 36 . 1 1 69 69 THR H H 69 7.847 7.847 8.096 -0.249 25411 19488 1 36 . 1 1 70 70 PHE N N 70 117.970 117.970 116.770 1.200 25411 19489 1 36 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.596 -0.032 25411 19490 1 36 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.636 0.606 25411 19491 1 36 . 1 1 70 70 PHE CB C 70 41.074 41.074 39.734 1.340 25411 19492 1 36 . 1 1 70 70 PHE H H 70 8.489 8.489 7.151 1.338 25411 19493 1 36 . 1 1 71 71 GLY N N 71 109.516 109.516 106.884 2.632 25411 19494 1 36 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.720 0.312 25411 19495 1 36 . 1 1 71 71 GLY H H 71 7.968 7.968 8.024 -0.056 25411 19496 1 36 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.414 0.297 25411 19497 1 36 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.563 0.734 25411 19498 1 36 . 1 1 72 72 PRO CB C 72 31.744 31.744 32.088 -0.344 25411 19499 1 36 . 1 1 73 73 GLU N N 73 117.720 117.720 125.239 -7.519 25411 19500 1 36 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.123 -0.224 25411 19501 1 36 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.446 0.291 25411 19502 1 36 . 1 1 73 73 GLU CB C 73 28.863 28.863 30.137 -1.274 25411 19503 1 36 . 1 1 73 73 GLU H H 73 8.586 8.586 8.770 -0.184 25411 19504 1 36 . 1 1 74 74 LYS N N 74 116.974 116.974 118.186 -1.212 25411 19505 1 36 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.478 -0.089 25411 19506 1 36 . 1 1 74 74 LYS CA C 74 55.185 55.185 56.492 -1.308 25411 19507 1 36 . 1 1 74 74 LYS CB C 74 34.087 34.087 32.983 1.104 25411 19508 1 36 . 1 1 74 74 LYS H H 74 7.505 7.505 8.260 -0.755 25411 19509 1 36 . 1 1 75 75 VAL N N 75 117.309 117.309 122.290 -4.981 25411 19510 1 36 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.531 -0.218 25411 19511 1 36 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.298 1.746 25411 19512 1 36 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.438 -0.454 25411 19513 1 36 . 1 1 75 75 VAL H H 75 7.402 7.402 7.793 -0.391 25411 19514 1 36 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.697 -0.135 25411 19515 1 36 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.993 -1.306 25411 19516 1 36 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.770 -1.038 25411 19517 1 36 . 1 1 77 77 VAL N N 77 120.870 120.870 122.978 -2.108 25411 19518 1 36 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.198 -0.370 25411 19519 1 36 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.167 1.671 25411 19520 1 36 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.183 -0.796 25411 19521 1 36 . 1 1 77 77 VAL H H 77 8.473 8.473 8.739 -0.266 25411 19522 1 36 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.835 0.017 25411 19523 1 36 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.359 -3.234 25411 19524 1 36 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.926 0.209 25411 19525 1 36 . 1 1 78 78 ILE H H 78 8.388 8.388 8.238 0.150 25411 19526 1 36 . 1 1 79 79 ALA N N 79 123.960 123.960 122.989 0.971 25411 19527 1 36 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.076 -0.186 25411 19528 1 36 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.395 0.494 25411 19529 1 36 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.344 -0.721 25411 19530 1 36 . 1 1 79 79 ALA H H 79 7.953 7.953 7.695 0.258 25411 19531 1 36 . 1 1 80 80 PHE N N 80 114.330 114.330 114.319 0.011 25411 19532 1 36 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.602 -0.171 25411 19533 1 36 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.939 1.373 25411 19534 1 36 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.391 -1.735 25411 19535 1 36 . 1 1 80 80 PHE H H 80 7.499 7.499 8.085 -0.586 25411 19536 1 36 . 1 1 81 81 SER N N 81 115.971 115.971 114.565 1.406 25411 19537 1 36 . 1 1 81 81 SER HA H 81 4.206 4.206 4.480 -0.274 25411 19538 1 36 . 1 1 81 81 SER CA C 81 58.432 58.432 59.094 -0.662 25411 19539 1 36 . 1 1 81 81 SER CB C 81 63.575 63.575 63.852 -0.277 25411 19540 1 36 . 1 1 81 81 SER H H 81 8.225 8.225 7.886 0.339 25411 19541 1 36 . 1 1 82 82 TYR N N 82 121.997 121.997 122.694 -0.697 25411 19542 1 36 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.412 0.035 25411 19543 1 36 . 1 1 82 82 TYR CA C 82 55.885 55.885 57.877 -1.992 25411 19544 1 36 . 1 1 82 82 TYR CB C 82 37.838 37.838 37.225 0.613 25411 19545 1 36 . 1 1 82 82 TYR H H 82 8.378 8.378 7.558 0.820 25411 19546 1 36 . 1 1 83 83 TRP N N 83 120.268 120.268 122.214 -1.946 25411 19547 1 36 . 1 1 83 83 TRP CA C 83 57.393 57.393 61.986 -4.593 25411 19548 1 36 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.251 -0.357 25411 19549 1 36 . 1 1 83 83 TRP H H 83 8.546 8.546 8.908 -0.362 25411 19550 1 36 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.142 0.078 25411 19551 1 36 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.224 0.405 25411 19552 1 36 . 1 1 84 84 ASN CB C 84 39.065 39.065 38.011 1.054 25411 19553 1 36 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.054 -0.008 25411 19554 1 36 . 1 1 85 85 LEU CA C 85 58.142 58.142 56.875 1.267 25411 19555 1 36 . 1 1 85 85 LEU CB C 85 41.692 41.692 42.041 -0.349 25411 19556 1 36 . 1 1 86 86 ILE N N 86 117.000 117.000 119.871 -2.871 25411 19557 1 36 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.361 0.085 25411 19558 1 36 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.527 -2.244 25411 19559 1 36 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.761 -1.349 25411 19560 1 36 . 1 1 86 86 ILE H H 86 7.882 7.882 7.419 0.463 25411 19561 1 36 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.634 -0.408 25411 19562 1 36 . 1 1 87 87 LYS CA C 87 59.996 59.996 58.827 1.169 25411 19563 1 36 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.470 -0.420 25411 19564 1 36 . 1 1 88 88 GLU N N 88 116.404 116.404 117.318 -0.914 25411 19565 1 36 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.276 -0.429 25411 19566 1 36 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.221 0.689 25411 19567 1 36 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.169 -0.200 25411 19568 1 36 . 1 1 88 88 GLU H H 88 7.689 7.689 7.590 0.099 25411 19569 1 36 . 1 1 89 89 LEU N N 89 118.193 118.193 121.487 -3.294 25411 19570 1 36 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.105 -0.216 25411 19571 1 36 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.983 0.980 25411 19572 1 36 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.040 -0.740 25411 19573 1 36 . 1 1 89 89 LEU H H 89 7.415 7.415 7.577 -0.162 25411 19574 1 36 . 1 1 90 90 ILE N N 90 115.471 115.471 120.216 -4.745 25411 19575 1 36 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.675 -0.257 25411 19576 1 36 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.131 0.777 25411 19577 1 36 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.602 -0.007 25411 19578 1 36 . 1 1 90 90 ILE H H 90 7.718 7.718 7.581 0.137 25411 19579 1 36 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.471 -0.751 25411 19580 1 36 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.782 0.882 25411 19581 1 36 . 1 1 91 91 ASP CB C 91 40.532 40.532 39.958 0.574 25411 19582 1 36 . 1 1 92 92 LYS N N 92 119.253 119.253 118.748 0.505 25411 19583 1 36 . 1 1 92 92 LYS CA C 92 58.897 58.897 56.719 2.178 25411 19584 1 36 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.298 -0.310 25411 19585 1 36 . 1 1 92 92 LYS H H 92 7.869 7.869 7.590 0.279 25411 19586 1 36 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.008 0.523 25411 19587 1 36 . 1 1 93 93 LYS CA C 93 55.258 55.258 59.177 -3.919 25411 19588 1 36 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.133 0.036 25411 19589 1 36 . 1 1 94 94 GLU N N 94 116.729 116.729 119.255 -2.526 25411 19590 1 36 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.138 -0.005 25411 19591 1 36 . 1 1 94 94 GLU CA C 94 59.319 59.319 58.356 0.963 25411 19592 1 36 . 1 1 94 94 GLU CB C 94 27.375 27.375 28.779 -1.404 25411 19593 1 36 . 1 1 94 94 GLU H H 94 8.393 8.393 8.186 0.207 25411 19594 1 36 . 1 1 95 95 VAL N N 95 121.696 121.696 117.623 4.073 25411 19595 1 36 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.864 0.618 25411 19596 1 36 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.547 3.175 25411 19597 1 36 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.375 1.519 25411 19598 1 36 . 1 1 95 95 VAL H H 95 7.923 7.923 7.679 0.244 25411 19599 1 36 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.724 -0.366 25411 19600 1 36 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.267 0.340 25411 19601 1 36 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.813 -0.939 25411 19602 1 36 . 1 1 98 98 GLN N N 98 117.731 117.731 119.154 -1.423 25411 19603 1 36 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.081 -0.156 25411 19604 1 36 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.373 0.235 25411 19605 1 36 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.839 0.682 25411 19606 1 36 . 1 1 98 98 GLN H H 98 8.359 8.359 8.381 -0.022 25411 19607 1 36 . 1 1 99 99 VAL N N 99 121.326 121.326 119.208 2.118 25411 19608 1 36 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.707 -0.287 25411 19609 1 36 . 1 1 99 99 VAL CA C 99 66.404 66.404 66.500 -0.096 25411 19610 1 36 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.548 0.071 25411 19611 1 36 . 1 1 99 99 VAL H H 99 7.901 7.901 8.311 -0.410 25411 19612 1 36 . 1 1 100 100 MET N N 100 120.447 120.447 116.934 3.513 25411 19613 1 36 . 1 1 100 100 MET HA H 100 3.812 3.812 4.278 -0.466 25411 19614 1 36 . 1 1 100 100 MET CA C 100 59.297 59.297 58.352 0.945 25411 19615 1 36 . 1 1 100 100 MET CB C 100 32.099 32.099 32.816 -0.717 25411 19616 1 36 . 1 1 100 100 MET H H 100 7.509 7.509 7.561 -0.052 25411 19617 1 36 . 1 1 101 101 ALA N N 101 119.458 119.458 122.053 -2.595 25411 19618 1 36 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.155 0.055 25411 19619 1 36 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.483 0.269 25411 19620 1 36 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.330 -0.809 25411 19621 1 36 . 1 1 101 101 ALA H H 101 7.889 7.889 7.578 0.311 25411 19622 1 36 . 1 1 102 102 ALA N N 102 119.627 119.627 121.062 -1.435 25411 19623 1 36 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.125 -0.132 25411 19624 1 36 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.658 0.230 25411 19625 1 36 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.355 -1.011 25411 19626 1 36 . 1 1 102 102 ALA H H 102 7.563 7.563 8.347 -0.784 25411 19627 1 36 . 1 1 103 103 VAL N N 103 122.690 122.690 118.502 4.188 25411 19628 1 36 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.881 0.192 25411 19629 1 36 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.749 -4.064 25411 19630 1 36 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.764 1.458 25411 19631 1 36 . 1 1 103 103 VAL H H 103 8.828 8.828 7.635 1.193 25411 19632 1 36 . 1 1 104 104 ALA N N 104 128.041 128.041 120.188 7.853 25411 19633 1 36 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.093 0.176 25411 19634 1 36 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.492 -2.351 25411 19635 1 36 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.349 0.591 25411 19636 1 36 . 1 1 104 104 ALA H H 104 8.367 8.367 7.518 0.849 25411 19637 1 36 . 1 1 105 105 GLN N N 105 120.265 120.265 115.630 4.635 25411 19638 1 36 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.383 -0.452 25411 19639 1 36 . 1 1 105 105 GLN CB C 105 29.020 29.020 30.023 -1.003 25411 19640 1 36 . 1 1 105 105 GLN H H 105 8.356 8.356 7.549 0.807 25411 19641 1 36 . 1 1 106 106 THR HA H 106 4.320 4.320 4.252 0.068 25411 19642 1 36 . 1 1 106 106 THR CA C 106 61.346 61.346 64.330 -2.984 25411 19643 1 36 . 1 1 106 106 THR CB C 106 69.293 69.293 68.965 0.328 25411 19644 1 36 . 1 1 107 107 GLU N N 107 122.706 122.706 121.332 1.374 25411 19645 1 36 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.289 -0.107 25411 19646 1 36 . 1 1 107 107 GLU CA C 107 56.576 56.576 58.297 -1.721 25411 19647 1 36 . 1 1 107 107 GLU CB C 107 29.936 29.936 30.434 -0.498 25411 19648 1 36 . 1 1 107 107 GLU H H 107 8.404 8.404 7.734 0.670 25411 19649 1 36 . 1 1 108 108 GLU N N 108 122.034 122.034 116.827 5.207 25411 19650 1 36 . 1 1 108 108 GLU HA H 108 4.161 4.161 3.808 0.353 25411 19651 1 36 . 1 1 108 108 GLU CA C 108 56.649 56.649 58.854 -2.205 25411 19652 1 36 . 1 1 108 108 GLU CB C 108 29.676 29.676 28.903 0.773 25411 19653 1 36 . 1 1 108 108 GLU H H 108 7.341 7.341 7.836 -0.495 25411 19654 1 36 . 1 1 109 109 ILE N N 109 122.151 122.151 118.548 3.603 25411 19655 1 36 . 1 1 109 109 ILE HA H 109 4.047 4.047 3.679 0.368 25411 19656 1 36 . 1 1 109 109 ILE CA C 109 61.565 61.565 64.064 -2.499 25411 19657 1 36 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.086 0.019 25411 19658 1 36 . 1 1 109 109 ILE H H 109 8.058 8.058 8.252 -0.194 25411 19659 1 36 . 1 1 110 110 LEU N N 110 122.427 122.427 117.102 5.325 25411 19660 1 36 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.390 -0.114 25411 19661 1 36 . 1 1 110 110 LEU CA C 110 55.151 55.151 54.818 0.333 25411 19662 1 36 . 1 1 110 110 LEU CB C 110 32.255 32.255 42.571 -10.316 25411 19663 1 36 . 1 1 110 110 LEU H H 110 8.194 8.194 8.137 0.057 25411 19664 1 36 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.518 -0.271 25411 19665 1 36 . 1 1 111 111 LYS CA C 111 56.137 56.137 57.975 -1.838 25411 19666 1 36 . 1 1 111 111 LYS CB C 111 32.569 32.569 33.128 -0.559 25411 19667 1 36 . 1 1 112 112 SER N N 112 116.453 116.453 114.371 2.082 25411 19668 1 36 . 1 1 112 112 SER HA H 112 4.175 4.175 4.056 0.119 25411 19669 1 36 . 1 1 112 112 SER CA C 112 58.311 58.311 59.105 -0.794 25411 19670 1 36 . 1 1 112 112 SER CB C 112 63.441 63.441 61.933 1.508 25411 19671 1 36 . 1 1 112 112 SER H H 112 8.204 8.204 8.381 -0.177 25411 19672 1 36 . 1 1 113 113 ASN N N 113 119.747 119.747 114.430 5.317 25411 19673 1 36 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.403 0.241 25411 19674 1 36 . 1 1 113 113 ASN CA C 113 53.645 53.645 54.518 -0.873 25411 19675 1 36 . 1 1 113 113 ASN CB C 113 38.646 38.646 38.072 0.574 25411 19676 1 36 . 1 1 113 113 ASN H H 113 7.944 7.944 8.763 -0.819 25411 19677 1 36 . 1 1 114 114 SER N N 114 115.433 115.433 112.099 3.334 25411 19678 1 36 . 1 1 114 114 SER HA H 114 4.336 4.336 4.512 -0.176 25411 19679 1 36 . 1 1 114 114 SER CA C 114 58.711 58.711 57.518 1.193 25411 19680 1 36 . 1 1 114 114 SER CB C 114 63.308 63.308 63.872 -0.564 25411 19681 1 36 . 1 1 114 114 SER H H 114 7.962 7.962 8.068 -0.106 25411 19682 1 36 . 1 1 115 115 GLN N N 115 121.682 121.682 120.197 1.485 25411 19683 1 36 . 1 1 115 115 GLN HA H 115 4.274 4.274 3.880 0.394 25411 19684 1 36 . 1 1 115 115 GLN CA C 115 56.193 56.193 58.736 -2.543 25411 19685 1 36 . 1 1 115 115 GLN CB C 115 28.807 28.807 28.017 0.790 25411 19686 1 36 . 1 1 115 115 GLN H H 115 8.207 8.207 8.798 -0.591 25411 19687 1 36 . 1 1 116 116 THR N N 116 114.715 114.715 108.554 6.161 25411 19688 1 36 . 1 1 116 116 THR HA H 116 4.225 4.225 4.691 -0.466 25411 19689 1 36 . 1 1 116 116 THR CA C 116 62.109 62.109 59.490 2.619 25411 19690 1 36 . 1 1 116 116 THR CB C 116 69.336 69.336 71.381 -2.045 25411 19691 1 36 . 1 1 116 116 THR H H 116 8.062 8.062 7.856 0.206 25411 19692 1 36 . 1 1 117 117 ASP N N 117 122.602 122.602 120.672 1.930 25411 19693 1 36 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.651 -0.083 25411 19694 1 36 . 1 1 117 117 ASP CA C 117 54.204 54.204 55.534 -1.330 25411 19695 1 36 . 1 1 117 117 ASP CB C 117 40.665 40.665 39.910 0.755 25411 19696 1 36 . 1 1 117 117 ASP H H 117 8.065 8.065 8.863 -0.798 25411 19697 1 36 . 1 1 118 118 LEU N N 118 122.140 122.140 121.252 0.888 25411 19698 1 36 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.007 0.148 25411 19699 1 36 . 1 1 118 118 LEU CA C 118 55.423 55.423 53.939 1.484 25411 19700 1 36 . 1 1 118 118 LEU CB C 118 41.873 41.873 39.517 2.356 25411 19701 1 36 . 1 1 118 118 LEU H H 118 8.085 8.085 8.015 0.070 25411 19702 1 36 . 1 1 119 119 GLU N N 119 119.672 119.672 120.145 -0.473 25411 19703 1 36 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.134 -0.066 25411 19704 1 36 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.862 -1.297 25411 19705 1 36 . 1 1 119 119 GLU CB C 119 29.572 29.572 29.155 0.417 25411 19706 1 36 . 1 1 119 119 GLU H H 119 8.143 8.143 7.869 0.274 25411 19707 1 36 . 1 1 120 120 HIS N N 120 118.301 118.301 118.085 0.216 25411 19708 1 36 . 1 1 120 120 HIS CA C 120 55.883 55.883 58.335 -2.452 25411 19709 1 36 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.339 -0.069 25411 19710 1 36 . 1 1 120 120 HIS H H 120 8.107 8.107 7.392 0.715 25411 19711 1 36 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.807 -0.799 25411 19712 1 36 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.365 -0.199 25411 19713 1 36 . 1 1 121 121 HIS CB C 121 28.759 28.759 29.896 -1.137 25411 19714 1 36 . 1 1 122 122 HIS N N 122 122.407 122.407 117.212 5.195 25411 19715 1 36 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.856 -0.638 25411 19716 1 36 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.444 1.637 25411 19717 1 36 . 1 1 122 122 HIS CB C 122 29.371 29.371 32.237 -2.866 25411 19718 1 36 . 1 1 122 122 HIS H H 122 8.489 8.489 7.601 0.888 25411 19719 1 36 . 1 1 123 123 HIS N N 123 122.868 122.868 118.807 4.061 25411 19720 1 36 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.281 0.106 25411 19721 1 36 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.500 -1.190 25411 19722 1 36 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.467 0.035 25411 19723 1 36 . 1 1 123 123 HIS H H 123 8.596 8.596 8.392 0.204 25411 19724 1 36 . 1 1 124 124 HIS N N 124 123.734 123.734 119.975 3.759 25411 19725 1 36 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.764 -0.207 25411 19726 1 36 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.098 1.287 25411 19727 1 36 . 1 1 124 124 HIS CB C 124 29.358 29.358 29.324 0.034 25411 19728 1 36 . 1 1 124 124 HIS H H 124 8.255 8.255 8.221 0.034 25411 19729 1 37 . 1 1 3 3 GLN N N 3 122.360 122.360 120.670 1.690 25411 19730 1 37 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.283 -0.395 25411 19731 1 37 . 1 1 3 3 GLN CA C 3 58.742 58.742 57.522 1.220 25411 19732 1 37 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.728 -0.345 25411 19733 1 37 . 1 1 3 3 GLN H H 3 9.398 9.398 8.635 0.763 25411 19734 1 37 . 1 1 4 4 GLU N N 4 119.689 119.689 119.583 0.106 25411 19735 1 37 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.149 0.525 25411 19736 1 37 . 1 1 4 4 GLU CA C 4 57.807 57.807 58.190 -0.383 25411 19737 1 37 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.954 -0.254 25411 19738 1 37 . 1 1 4 4 GLU H H 4 7.464 7.464 8.816 -1.352 25411 19739 1 37 . 1 1 5 5 LEU N N 5 114.872 114.872 122.202 -7.330 25411 19740 1 37 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.045 -0.344 25411 19741 1 37 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.030 -0.292 25411 19742 1 37 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.923 -1.108 25411 19743 1 37 . 1 1 5 5 LEU H H 5 8.206 8.206 7.645 0.561 25411 19744 1 37 . 1 1 6 6 SER N N 6 109.762 109.762 113.529 -3.767 25411 19745 1 37 . 1 1 6 6 SER HA H 6 4.092 4.092 4.060 0.032 25411 19746 1 37 . 1 1 6 6 SER CA C 6 60.415 60.415 61.776 -1.361 25411 19747 1 37 . 1 1 6 6 SER CB C 6 63.391 63.391 62.478 0.913 25411 19748 1 37 . 1 1 6 6 SER H H 6 8.253 8.253 7.803 0.450 25411 19749 1 37 . 1 1 7 7 GLN N N 7 117.498 117.498 122.908 -5.410 25411 19750 1 37 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.172 -0.217 25411 19751 1 37 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.518 -0.093 25411 19752 1 37 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.512 0.227 25411 19753 1 37 . 1 1 7 7 GLN H H 7 8.673 8.673 7.926 0.747 25411 19754 1 37 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.320 -0.523 25411 19755 1 37 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.972 -0.917 25411 19756 1 37 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.136 -1.027 25411 19757 1 37 . 1 1 9 9 GLU N N 9 120.354 120.354 119.729 0.625 25411 19758 1 37 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.223 -0.264 25411 19759 1 37 . 1 1 9 9 GLU CA C 9 60.258 60.258 58.683 1.575 25411 19760 1 37 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.267 -0.040 25411 19761 1 37 . 1 1 9 9 GLU H H 9 7.690 7.690 8.357 -0.667 25411 19762 1 37 . 1 1 10 10 ARG N N 10 118.753 118.753 120.388 -1.635 25411 19763 1 37 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.036 0.063 25411 19764 1 37 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.600 -1.379 25411 19765 1 37 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.154 -1.059 25411 19766 1 37 . 1 1 10 10 ARG H H 10 8.928 8.928 7.839 1.089 25411 19767 1 37 . 1 1 11 11 TYR N N 11 121.288 121.288 118.768 2.520 25411 19768 1 37 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.235 -0.046 25411 19769 1 37 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.282 -1.046 25411 19770 1 37 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.331 -0.471 25411 19771 1 37 . 1 1 11 11 TYR H H 11 7.562 7.562 8.800 -1.238 25411 19772 1 37 . 1 1 12 12 VAL N N 12 119.304 119.304 119.765 -0.461 25411 19773 1 37 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.672 -0.589 25411 19774 1 37 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.687 0.148 25411 19775 1 37 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.765 -0.666 25411 19776 1 37 . 1 1 12 12 VAL H H 12 8.075 8.075 7.801 0.274 25411 19777 1 37 . 1 1 13 13 GLU N N 13 119.685 119.685 120.040 -0.355 25411 19778 1 37 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.015 0.140 25411 19779 1 37 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.306 0.119 25411 19780 1 37 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.301 -0.113 25411 19781 1 37 . 1 1 13 13 GLU H H 13 8.278 8.278 8.127 0.151 25411 19782 1 37 . 1 1 14 14 GLN N N 14 119.682 119.682 120.138 -0.456 25411 19783 1 37 . 1 1 14 14 GLN HA H 14 3.656 3.656 3.993 -0.337 25411 19784 1 37 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.553 1.416 25411 19785 1 37 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.255 1.418 25411 19786 1 37 . 1 1 14 14 GLN H H 14 7.653 7.653 8.251 -0.598 25411 19787 1 37 . 1 1 15 15 LEU N N 15 121.000 121.000 119.272 1.728 25411 19788 1 37 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.058 -0.137 25411 19789 1 37 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.408 1.047 25411 19790 1 37 . 1 1 15 15 LEU CB C 15 40.760 40.760 40.962 -0.202 25411 19791 1 37 . 1 1 15 15 LEU H H 15 8.402 8.402 8.483 -0.081 25411 19792 1 37 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.847 -0.151 25411 19793 1 37 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.335 -0.077 25411 19794 1 37 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.304 -0.169 25411 19795 1 37 . 1 1 17 17 GLN N N 17 117.558 117.558 118.090 -0.532 25411 19796 1 37 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.006 -0.119 25411 19797 1 37 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.923 -0.481 25411 19798 1 37 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.617 -0.572 25411 19799 1 37 . 1 1 17 17 GLN H H 17 7.849 7.849 8.334 -0.485 25411 19800 1 37 . 1 1 18 18 ALA N N 18 120.288 120.288 122.897 -2.609 25411 19801 1 37 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.124 -0.336 25411 19802 1 37 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.850 0.043 25411 19803 1 37 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.587 -1.191 25411 19804 1 37 . 1 1 18 18 ALA H H 18 8.504 8.504 7.929 0.575 25411 19805 1 37 . 1 1 19 19 LEU N N 19 116.974 116.974 118.120 -1.146 25411 19806 1 37 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.012 -0.253 25411 19807 1 37 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.947 0.605 25411 19808 1 37 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.774 -1.081 25411 19809 1 37 . 1 1 19 19 LEU H H 19 8.143 8.143 8.302 -0.159 25411 19810 1 37 . 1 1 20 20 LYS N N 20 117.776 117.776 120.527 -2.751 25411 19811 1 37 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.031 -0.076 25411 19812 1 37 . 1 1 20 20 LYS CA C 20 59.544 59.544 60.017 -0.473 25411 19813 1 37 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.427 -1.941 25411 19814 1 37 . 1 1 20 20 LYS H H 20 8.340 8.340 8.195 0.145 25411 19815 1 37 . 1 1 21 21 THR N N 21 116.373 116.373 111.595 4.778 25411 19816 1 37 . 1 1 21 21 THR HA H 21 4.107 4.107 4.234 -0.127 25411 19817 1 37 . 1 1 21 21 THR CA C 21 64.611 64.611 64.408 0.203 25411 19818 1 37 . 1 1 21 21 THR CB C 21 68.811 68.811 68.388 0.423 25411 19819 1 37 . 1 1 21 21 THR H H 21 7.302 7.302 7.837 -0.535 25411 19820 1 37 . 1 1 22 22 ARG N N 22 118.647 118.647 120.138 -1.491 25411 19821 1 37 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.480 -0.118 25411 19822 1 37 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.627 -1.562 25411 19823 1 37 . 1 1 22 22 ARG CB C 22 29.528 29.528 30.858 -1.330 25411 19824 1 37 . 1 1 22 22 ARG H H 22 7.290 7.290 7.640 -0.350 25411 19825 1 37 . 1 1 23 23 GLY N N 23 108.637 108.637 108.123 0.514 25411 19826 1 37 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.824 0.288 25411 19827 1 37 . 1 1 23 23 GLY H H 23 7.881 7.881 7.766 0.115 25411 19828 1 37 . 1 1 24 24 VAL N N 24 117.390 117.390 117.872 -0.482 25411 19829 1 37 . 1 1 24 24 VAL HA H 24 4.014 4.014 4.201 -0.187 25411 19830 1 37 . 1 1 24 24 VAL CA C 24 61.668 61.668 61.761 -0.093 25411 19831 1 37 . 1 1 24 24 VAL CB C 24 32.372 32.372 31.746 0.626 25411 19832 1 37 . 1 1 24 24 VAL H H 24 7.333 7.333 7.489 -0.156 25411 19833 1 37 . 1 1 25 25 LYS N N 25 127.322 127.322 116.993 10.329 25411 19834 1 37 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.961 0.371 25411 19835 1 37 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.264 -1.502 25411 19836 1 37 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.368 0.393 25411 19837 1 37 . 1 1 25 25 LYS H H 25 8.722 8.722 7.933 0.789 25411 19838 1 37 . 1 1 26 26 VAL N N 26 120.568 120.568 120.223 0.345 25411 19839 1 37 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.226 -0.148 25411 19840 1 37 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.440 -0.775 25411 19841 1 37 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.254 0.393 25411 19842 1 37 . 1 1 26 26 VAL H H 26 7.119 7.119 8.217 -1.098 25411 19843 1 37 . 1 1 27 27 LYS N N 27 125.675 125.675 125.509 0.166 25411 19844 1 37 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.352 -0.026 25411 19845 1 37 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.268 0.143 25411 19846 1 37 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.596 -2.637 25411 19847 1 37 . 1 1 27 27 LYS H H 27 8.570 8.570 8.222 0.348 25411 19848 1 37 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.449 -0.432 25411 19849 1 37 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.794 -2.382 25411 19850 1 37 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.527 2.313 25411 19851 1 37 . 1 1 29 29 ALA N N 29 120.743 120.743 128.135 -7.392 25411 19852 1 37 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.134 -0.466 25411 19853 1 37 . 1 1 29 29 ALA CA C 29 54.678 54.678 54.786 -0.108 25411 19854 1 37 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.203 -1.203 25411 19855 1 37 . 1 1 29 29 ALA H H 29 8.323 8.323 8.609 -0.286 25411 19856 1 37 . 1 1 30 30 ASP N N 30 117.202 117.202 119.423 -2.221 25411 19857 1 37 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.468 -0.187 25411 19858 1 37 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.375 0.178 25411 19859 1 37 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.438 0.369 25411 19860 1 37 . 1 1 30 30 ASP H H 30 6.872 6.872 8.730 -1.858 25411 19861 1 37 . 1 1 31 31 LEU N N 31 122.273 122.273 118.715 3.558 25411 19862 1 37 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.275 -0.729 25411 19863 1 37 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.895 -0.170 25411 19864 1 37 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.257 -1.599 25411 19865 1 37 . 1 1 31 31 LEU H H 31 7.433 7.433 7.715 -0.282 25411 19866 1 37 . 1 1 32 32 LEU N N 32 123.376 123.376 118.423 4.953 25411 19867 1 37 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.178 -0.563 25411 19868 1 37 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.141 -0.045 25411 19869 1 37 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.832 -1.290 25411 19870 1 37 . 1 1 32 32 LEU H H 32 8.727 8.727 7.814 0.913 25411 19871 1 37 . 1 1 33 33 LYS N N 33 118.078 118.078 120.901 -2.823 25411 19872 1 37 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.339 -0.126 25411 19873 1 37 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.417 -0.319 25411 19874 1 37 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.129 -0.239 25411 19875 1 37 . 1 1 33 33 LYS H H 33 7.149 7.149 7.493 -0.344 25411 19876 1 37 . 1 1 34 34 PHE N N 34 117.398 117.398 121.072 -3.674 25411 19877 1 37 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.974 -5.279 25411 19878 1 37 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.133 2.086 25411 19879 1 37 . 1 1 34 34 PHE H H 34 7.633 7.633 8.300 -0.667 25411 19880 1 37 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.106 -0.313 25411 19881 1 37 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.985 -0.393 25411 19882 1 37 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.208 -2.194 25411 19883 1 37 . 1 1 36 36 ASP N N 36 120.136 120.136 120.227 -0.091 25411 19884 1 37 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.417 -0.321 25411 19885 1 37 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.715 -0.774 25411 19886 1 37 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.567 -1.463 25411 19887 1 37 . 1 1 36 36 ASP H H 36 8.330 8.330 8.666 -0.336 25411 19888 1 37 . 1 1 37 37 PHE N N 37 121.883 121.883 121.181 0.702 25411 19889 1 37 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.551 -0.293 25411 19890 1 37 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.727 -2.029 25411 19891 1 37 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.507 0.678 25411 19892 1 37 . 1 1 37 37 PHE H H 37 7.794 7.794 8.554 -0.760 25411 19893 1 37 . 1 1 38 38 VAL N N 38 118.525 118.525 119.105 -0.580 25411 19894 1 37 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.432 -0.393 25411 19895 1 37 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.028 0.854 25411 19896 1 37 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.476 -0.788 25411 19897 1 37 . 1 1 38 38 VAL H H 38 8.262 8.262 8.406 -0.144 25411 19898 1 37 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.957 -0.501 25411 19899 1 37 . 1 1 39 39 LYS CA C 39 59.054 59.054 58.899 0.155 25411 19900 1 37 . 1 1 39 39 LYS CB C 39 31.696 31.696 32.041 -0.345 25411 19901 1 37 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.533 -0.088 25411 19902 1 37 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.233 0.752 25411 19903 1 37 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.898 -1.206 25411 19904 1 37 . 1 1 41 41 ILE N N 41 120.641 120.641 116.921 3.720 25411 19905 1 37 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.909 0.116 25411 19906 1 37 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.325 -2.673 25411 19907 1 37 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.746 -0.682 25411 19908 1 37 . 1 1 41 41 ILE H H 41 8.788 8.788 8.111 0.677 25411 19909 1 37 . 1 1 42 42 CYS N N 42 117.896 117.896 116.793 1.103 25411 19910 1 37 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.847 0.325 25411 19911 1 37 . 1 1 42 42 CYS CB C 42 28.324 28.324 27.473 0.851 25411 19912 1 37 . 1 1 42 42 CYS H H 42 7.180 7.180 7.687 -0.507 25411 19913 1 37 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.091 0.224 25411 19914 1 37 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.621 0.382 25411 19915 1 37 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.947 -1.232 25411 19916 1 37 . 1 1 44 44 TRP N N 44 113.823 113.823 117.329 -3.506 25411 19917 1 37 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.421 -0.116 25411 19918 1 37 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.310 -1.912 25411 19919 1 37 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.516 -1.705 25411 19920 1 37 . 1 1 44 44 TRP H H 44 6.591 6.591 7.593 -1.002 25411 19921 1 37 . 1 1 45 45 PHE N N 45 123.100 123.100 115.666 7.434 25411 19922 1 37 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.029 -1.028 25411 19923 1 37 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.761 8.048 25411 19924 1 37 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.263 -3.328 25411 19925 1 37 . 1 1 45 45 PHE H H 45 7.239 7.239 7.605 -0.366 25411 19926 1 37 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.204 -0.192 25411 19927 1 37 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.690 -0.159 25411 19928 1 37 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.553 -1.067 25411 19929 1 37 . 1 1 47 47 GLN N N 47 114.502 114.502 115.974 -1.472 25411 19930 1 37 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.078 -0.141 25411 19931 1 37 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.052 0.352 25411 19932 1 37 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.875 0.445 25411 19933 1 37 . 1 1 47 47 GLN H H 47 6.518 6.518 8.581 -2.063 25411 19934 1 37 . 1 1 48 48 GLU N N 48 117.358 117.358 118.620 -1.262 25411 19935 1 37 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.203 -0.165 25411 19936 1 37 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.800 1.371 25411 19937 1 37 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.075 -1.121 25411 19938 1 37 . 1 1 48 48 GLU H H 48 7.318 7.318 7.843 -0.525 25411 19939 1 37 . 1 1 49 49 GLY N N 49 105.534 105.534 107.746 -2.212 25411 19940 1 37 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.841 1.462 25411 19941 1 37 . 1 1 49 49 GLY H H 49 7.296 7.296 7.806 -0.510 25411 19942 1 37 . 1 1 50 50 THR N N 50 114.069 114.069 113.137 0.932 25411 19943 1 37 . 1 1 50 50 THR HA H 50 4.234 4.234 4.482 -0.248 25411 19944 1 37 . 1 1 50 50 THR CA C 50 61.683 61.683 60.571 1.112 25411 19945 1 37 . 1 1 50 50 THR CB C 50 70.718 70.718 70.832 -0.113 25411 19946 1 37 . 1 1 50 50 THR H H 50 7.597 7.597 7.623 -0.026 25411 19947 1 37 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.510 -0.385 25411 19948 1 37 . 1 1 51 51 ILE CA C 51 59.870 59.870 60.868 -0.998 25411 19949 1 37 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.349 -4.061 25411 19950 1 37 . 1 1 52 52 ASP N N 52 121.791 121.791 126.212 -4.421 25411 19951 1 37 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.776 -0.153 25411 19952 1 37 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.671 -0.939 25411 19953 1 37 . 1 1 52 52 ASP CB C 52 42.461 42.461 43.972 -1.511 25411 19954 1 37 . 1 1 52 52 ASP H H 52 7.168 7.168 8.301 -1.133 25411 19955 1 37 . 1 1 53 53 ILE N N 53 119.537 119.537 117.669 1.868 25411 19956 1 37 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.438 -0.303 25411 19957 1 37 . 1 1 53 53 ILE CA C 53 61.796 61.796 61.653 0.143 25411 19958 1 37 . 1 1 53 53 ILE CB C 53 37.815 37.815 40.041 -2.226 25411 19959 1 37 . 1 1 53 53 ILE H H 53 8.336 8.336 8.448 -0.112 25411 19960 1 37 . 1 1 54 54 LYS N N 54 123.592 123.592 121.818 1.774 25411 19961 1 37 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.174 -0.069 25411 19962 1 37 . 1 1 54 54 LYS CA C 54 59.972 59.972 60.000 -0.028 25411 19963 1 37 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.247 -0.499 25411 19964 1 37 . 1 1 54 54 LYS H H 54 8.104 8.104 8.181 -0.077 25411 19965 1 37 . 1 1 55 55 ARG N N 55 120.511 120.511 119.775 0.736 25411 19966 1 37 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.070 0.231 25411 19967 1 37 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.310 0.593 25411 19968 1 37 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.179 -0.123 25411 19969 1 37 . 1 1 55 55 ARG H H 55 9.196 9.196 9.138 0.058 25411 19970 1 37 . 1 1 56 56 TRP N N 56 120.681 120.681 122.455 -1.774 25411 19971 1 37 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.642 0.061 25411 19972 1 37 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.188 -0.782 25411 19973 1 37 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.405 0.609 25411 19974 1 37 . 1 1 56 56 TRP H H 56 8.899 8.899 9.018 -0.119 25411 19975 1 37 . 1 1 57 57 ARG N N 57 122.115 122.115 119.643 2.472 25411 19976 1 37 . 1 1 57 57 ARG HA H 57 4.407 4.407 4.063 0.344 25411 19977 1 37 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.169 0.858 25411 19978 1 37 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.837 -0.051 25411 19979 1 37 . 1 1 57 57 ARG H H 57 9.210 9.210 8.163 1.047 25411 19980 1 37 . 1 1 58 58 ARG N N 58 120.918 120.918 119.731 1.187 25411 19981 1 37 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.612 0.233 25411 19982 1 37 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.115 -0.386 25411 19983 1 37 . 1 1 58 58 ARG H H 58 7.640 7.640 7.714 -0.074 25411 19984 1 37 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.671 0.093 25411 19985 1 37 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.714 0.286 25411 19986 1 37 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.494 -0.662 25411 19987 1 37 . 1 1 59 59 VAL H H 59 7.916 7.916 7.862 0.054 25411 19988 1 37 . 1 1 60 60 GLY N N 60 106.856 106.856 107.187 -0.331 25411 19989 1 37 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.115 -1.034 25411 19990 1 37 . 1 1 60 60 GLY H H 60 7.623 7.623 8.307 -0.684 25411 19991 1 37 . 1 1 61 61 ASP N N 61 123.308 123.308 122.366 0.942 25411 19992 1 37 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.480 -0.255 25411 19993 1 37 . 1 1 61 61 ASP CA C 61 56.800 56.800 56.769 0.031 25411 19994 1 37 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.565 -1.081 25411 19995 1 37 . 1 1 61 61 ASP H H 61 8.203 8.203 7.662 0.541 25411 19996 1 37 . 1 1 62 62 CYS N N 62 120.841 120.841 118.531 2.310 25411 19997 1 37 . 1 1 62 62 CYS HA H 62 4.238 4.238 3.981 0.257 25411 19998 1 37 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.054 -1.104 25411 19999 1 37 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.709 -0.206 25411 20000 1 37 . 1 1 62 62 CYS H H 62 7.795 7.795 7.472 0.323 25411 20001 1 37 . 1 1 63 63 PHE N N 63 119.763 119.763 118.367 1.396 25411 20002 1 37 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.326 -0.048 25411 20003 1 37 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.301 -2.644 25411 20004 1 37 . 1 1 63 63 PHE CB C 63 36.990 36.990 37.880 -0.890 25411 20005 1 37 . 1 1 63 63 PHE H H 63 8.647 8.647 7.732 0.915 25411 20006 1 37 . 1 1 64 64 GLN N N 64 118.578 118.578 119.991 -1.413 25411 20007 1 37 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.053 0.255 25411 20008 1 37 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.738 0.595 25411 20009 1 37 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.204 0.375 25411 20010 1 37 . 1 1 64 64 GLN H H 64 8.261 8.261 8.463 -0.202 25411 20011 1 37 . 1 1 65 65 ASP N N 65 119.534 119.534 121.941 -2.407 25411 20012 1 37 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.312 0.172 25411 20013 1 37 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.214 0.115 25411 20014 1 37 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.888 -1.217 25411 20015 1 37 . 1 1 65 65 ASP H H 65 8.338 8.338 8.377 -0.039 25411 20016 1 37 . 1 1 66 66 TYR N N 66 123.600 123.600 122.021 1.579 25411 20017 1 37 . 1 1 66 66 TYR HA H 66 4.502 4.502 4.115 0.387 25411 20018 1 37 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.208 -0.977 25411 20019 1 37 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.610 -0.177 25411 20020 1 37 . 1 1 66 66 TYR H H 66 7.804 7.804 8.329 -0.524 25411 20021 1 37 . 1 1 67 67 TYR N N 67 122.825 122.825 119.099 3.726 25411 20022 1 37 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.933 0.064 25411 20023 1 37 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.560 0.343 25411 20024 1 37 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.509 0.437 25411 20025 1 37 . 1 1 67 67 TYR H H 67 9.100 9.100 8.625 0.475 25411 20026 1 37 . 1 1 68 68 ASN N N 68 118.826 118.826 117.233 1.593 25411 20027 1 37 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.223 0.060 25411 20028 1 37 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.574 -0.142 25411 20029 1 37 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.066 -0.190 25411 20030 1 37 . 1 1 68 68 ASN H H 68 8.853 8.853 8.471 0.382 25411 20031 1 37 . 1 1 69 69 THR N N 69 114.242 114.242 113.622 0.620 25411 20032 1 37 . 1 1 69 69 THR HA H 69 3.837 3.837 3.788 0.049 25411 20033 1 37 . 1 1 69 69 THR CA C 69 65.328 65.328 65.378 -0.050 25411 20034 1 37 . 1 1 69 69 THR CB C 69 69.249 69.249 68.564 0.685 25411 20035 1 37 . 1 1 69 69 THR H H 69 7.847 7.847 8.031 -0.184 25411 20036 1 37 . 1 1 70 70 PHE N N 70 117.970 117.970 117.840 0.130 25411 20037 1 37 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.637 -0.073 25411 20038 1 37 . 1 1 70 70 PHE CA C 70 58.242 58.242 58.015 0.227 25411 20039 1 37 . 1 1 70 70 PHE CB C 70 41.074 41.074 39.694 1.381 25411 20040 1 37 . 1 1 70 70 PHE H H 70 8.489 8.489 7.297 1.192 25411 20041 1 37 . 1 1 71 71 GLY N N 71 109.516 109.516 105.741 3.775 25411 20042 1 37 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.459 0.574 25411 20043 1 37 . 1 1 71 71 GLY H H 71 7.968 7.968 8.091 -0.123 25411 20044 1 37 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.455 0.256 25411 20045 1 37 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.535 0.762 25411 20046 1 37 . 1 1 72 72 PRO CB C 72 31.744 31.744 32.216 -0.472 25411 20047 1 37 . 1 1 73 73 GLU N N 73 117.720 117.720 124.359 -6.639 25411 20048 1 37 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.183 -0.284 25411 20049 1 37 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.746 -0.010 25411 20050 1 37 . 1 1 73 73 GLU CB C 73 28.863 28.863 30.098 -1.235 25411 20051 1 37 . 1 1 73 73 GLU H H 73 8.586 8.586 8.836 -0.250 25411 20052 1 37 . 1 1 74 74 LYS N N 74 116.974 116.974 118.465 -1.491 25411 20053 1 37 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.484 -0.095 25411 20054 1 37 . 1 1 74 74 LYS CA C 74 55.185 55.185 56.468 -1.283 25411 20055 1 37 . 1 1 74 74 LYS CB C 74 34.087 34.087 32.983 1.104 25411 20056 1 37 . 1 1 74 74 LYS H H 74 7.505 7.505 8.252 -0.747 25411 20057 1 37 . 1 1 75 75 VAL N N 75 117.309 117.309 122.897 -5.588 25411 20058 1 37 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.444 -0.131 25411 20059 1 37 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.181 1.864 25411 20060 1 37 . 1 1 75 75 VAL CB C 75 31.984 31.984 33.202 -1.218 25411 20061 1 37 . 1 1 75 75 VAL H H 75 7.402 7.402 8.093 -0.691 25411 20062 1 37 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.663 -0.101 25411 20063 1 37 . 1 1 76 76 PRO CA C 76 61.687 61.687 63.279 -1.591 25411 20064 1 37 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.734 -1.003 25411 20065 1 37 . 1 1 77 77 VAL N N 77 120.870 120.870 124.268 -3.398 25411 20066 1 37 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.248 -0.420 25411 20067 1 37 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.211 1.627 25411 20068 1 37 . 1 1 77 77 VAL CB C 77 31.387 31.387 32.227 -0.840 25411 20069 1 37 . 1 1 77 77 VAL H H 77 8.473 8.473 8.797 -0.325 25411 20070 1 37 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.909 -0.057 25411 20071 1 37 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.200 -3.075 25411 20072 1 37 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.998 0.137 25411 20073 1 37 . 1 1 78 78 ILE H H 78 8.388 8.388 8.152 0.236 25411 20074 1 37 . 1 1 79 79 ALA N N 79 123.960 123.960 123.741 0.219 25411 20075 1 37 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.125 -0.235 25411 20076 1 37 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.741 0.148 25411 20077 1 37 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.366 -0.743 25411 20078 1 37 . 1 1 79 79 ALA H H 79 7.953 7.953 7.749 0.204 25411 20079 1 37 . 1 1 80 80 PHE N N 80 114.330 114.330 114.177 0.153 25411 20080 1 37 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.577 -0.146 25411 20081 1 37 . 1 1 80 80 PHE CA C 80 61.312 61.312 60.017 1.295 25411 20082 1 37 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.283 -1.627 25411 20083 1 37 . 1 1 80 80 PHE H H 80 7.499 7.499 8.159 -0.660 25411 20084 1 37 . 1 1 81 81 SER N N 81 115.971 115.971 114.260 1.711 25411 20085 1 37 . 1 1 81 81 SER HA H 81 4.206 4.206 4.421 -0.215 25411 20086 1 37 . 1 1 81 81 SER CA C 81 58.432 58.432 59.371 -0.939 25411 20087 1 37 . 1 1 81 81 SER CB C 81 63.575 63.575 63.900 -0.325 25411 20088 1 37 . 1 1 81 81 SER H H 81 8.225 8.225 7.803 0.422 25411 20089 1 37 . 1 1 82 82 TYR N N 82 121.997 121.997 122.984 -0.987 25411 20090 1 37 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.389 0.058 25411 20091 1 37 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.838 -4.953 25411 20092 1 37 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.798 -0.960 25411 20093 1 37 . 1 1 82 82 TYR H H 82 8.378 8.378 7.573 0.805 25411 20094 1 37 . 1 1 83 83 TRP N N 83 120.268 120.268 121.599 -1.331 25411 20095 1 37 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.112 -4.719 25411 20096 1 37 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.909 -1.015 25411 20097 1 37 . 1 1 83 83 TRP H H 83 8.546 8.546 9.626 -1.080 25411 20098 1 37 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.015 0.205 25411 20099 1 37 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.309 0.320 25411 20100 1 37 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.935 1.130 25411 20101 1 37 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.005 0.041 25411 20102 1 37 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.403 0.739 25411 20103 1 37 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.435 0.257 25411 20104 1 37 . 1 1 86 86 ILE N N 86 117.000 117.000 119.951 -2.951 25411 20105 1 37 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.456 -0.010 25411 20106 1 37 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.513 -2.230 25411 20107 1 37 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.975 -1.563 25411 20108 1 37 . 1 1 86 86 ILE H H 86 7.882 7.882 7.489 0.393 25411 20109 1 37 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.793 -0.567 25411 20110 1 37 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.041 0.955 25411 20111 1 37 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.849 -0.799 25411 20112 1 37 . 1 1 88 88 GLU N N 88 116.404 116.404 116.378 0.026 25411 20113 1 37 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.354 -0.507 25411 20114 1 37 . 1 1 88 88 GLU CA C 88 58.911 58.911 57.909 1.002 25411 20115 1 37 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.244 -0.275 25411 20116 1 37 . 1 1 88 88 GLU H H 88 7.689 7.689 7.555 0.134 25411 20117 1 37 . 1 1 89 89 LEU N N 89 118.193 118.193 120.758 -2.565 25411 20118 1 37 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.127 -0.238 25411 20119 1 37 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.639 1.324 25411 20120 1 37 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.148 -0.848 25411 20121 1 37 . 1 1 89 89 LEU H H 89 7.415 7.415 7.610 -0.195 25411 20122 1 37 . 1 1 90 90 ILE N N 90 115.471 115.471 119.775 -4.304 25411 20123 1 37 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.743 -0.325 25411 20124 1 37 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.081 0.827 25411 20125 1 37 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.664 -0.070 25411 20126 1 37 . 1 1 90 90 ILE H H 90 7.718 7.718 7.628 0.090 25411 20127 1 37 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.514 -0.794 25411 20128 1 37 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.850 0.814 25411 20129 1 37 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.097 0.435 25411 20130 1 37 . 1 1 92 92 LYS N N 92 119.253 119.253 118.299 0.954 25411 20131 1 37 . 1 1 92 92 LYS CA C 92 58.897 58.897 57.108 1.788 25411 20132 1 37 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.162 -0.174 25411 20133 1 37 . 1 1 92 92 LYS H H 92 7.869 7.869 7.584 0.285 25411 20134 1 37 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.957 0.574 25411 20135 1 37 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.562 -3.304 25411 20136 1 37 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.007 0.162 25411 20137 1 37 . 1 1 94 94 GLU N N 94 116.729 116.729 120.279 -3.550 25411 20138 1 37 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.093 0.040 25411 20139 1 37 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.101 0.218 25411 20140 1 37 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.147 -1.772 25411 20141 1 37 . 1 1 94 94 GLU H H 94 8.393 8.393 8.153 0.240 25411 20142 1 37 . 1 1 95 95 VAL N N 95 121.696 121.696 117.387 4.309 25411 20143 1 37 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.887 0.595 25411 20144 1 37 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.544 3.177 25411 20145 1 37 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.438 1.456 25411 20146 1 37 . 1 1 95 95 VAL H H 95 7.923 7.923 7.714 0.209 25411 20147 1 37 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.642 -0.284 25411 20148 1 37 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.445 0.162 25411 20149 1 37 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.569 -0.695 25411 20150 1 37 . 1 1 98 98 GLN N N 98 117.731 117.731 119.313 -1.582 25411 20151 1 37 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.060 -0.135 25411 20152 1 37 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.407 0.201 25411 20153 1 37 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.612 0.909 25411 20154 1 37 . 1 1 98 98 GLN H H 98 8.359 8.359 8.696 -0.337 25411 20155 1 37 . 1 1 99 99 VAL N N 99 121.326 121.326 118.049 3.277 25411 20156 1 37 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.799 -0.379 25411 20157 1 37 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.799 0.605 25411 20158 1 37 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.267 0.352 25411 20159 1 37 . 1 1 99 99 VAL H H 99 7.901 7.901 8.260 -0.359 25411 20160 1 37 . 1 1 100 100 MET N N 100 120.447 120.447 115.617 4.830 25411 20161 1 37 . 1 1 100 100 MET HA H 100 3.812 3.812 4.427 -0.615 25411 20162 1 37 . 1 1 100 100 MET CA C 100 59.297 59.297 55.791 3.506 25411 20163 1 37 . 1 1 100 100 MET CB C 100 32.099 32.099 32.298 -0.199 25411 20164 1 37 . 1 1 100 100 MET H H 100 7.509 7.509 7.760 -0.251 25411 20165 1 37 . 1 1 101 101 ALA N N 101 119.458 119.458 120.272 -0.814 25411 20166 1 37 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.209 0.001 25411 20167 1 37 . 1 1 101 101 ALA CA C 101 54.752 54.752 53.922 0.830 25411 20168 1 37 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.781 -1.260 25411 20169 1 37 . 1 1 101 101 ALA H H 101 7.889 7.889 7.494 0.395 25411 20170 1 37 . 1 1 102 102 ALA N N 102 119.627 119.627 121.421 -1.794 25411 20171 1 37 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.234 -0.241 25411 20172 1 37 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.089 0.799 25411 20173 1 37 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.659 -1.315 25411 20174 1 37 . 1 1 102 102 ALA H H 102 7.563 7.563 8.231 -0.668 25411 20175 1 37 . 1 1 103 103 VAL N N 103 122.690 122.690 118.957 3.733 25411 20176 1 37 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.859 0.214 25411 20177 1 37 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.186 -3.501 25411 20178 1 37 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.666 1.556 25411 20179 1 37 . 1 1 103 103 VAL H H 103 8.828 8.828 7.910 0.918 25411 20180 1 37 . 1 1 104 104 ALA N N 104 128.041 128.041 120.041 8.000 25411 20181 1 37 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.386 -0.117 25411 20182 1 37 . 1 1 104 104 ALA CA C 104 52.141 52.141 53.460 -1.319 25411 20183 1 37 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.148 0.792 25411 20184 1 37 . 1 1 104 104 ALA H H 104 8.367 8.367 7.389 0.978 25411 20185 1 37 . 1 1 105 105 GLN N N 105 120.265 120.265 116.941 3.324 25411 20186 1 37 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.550 0.381 25411 20187 1 37 . 1 1 105 105 GLN CB C 105 29.020 29.020 31.096 -2.076 25411 20188 1 37 . 1 1 105 105 GLN H H 105 8.356 8.356 7.842 0.514 25411 20189 1 37 . 1 1 106 106 THR HA H 106 4.320 4.320 4.207 0.113 25411 20190 1 37 . 1 1 106 106 THR CA C 106 61.346 61.346 64.236 -2.890 25411 20191 1 37 . 1 1 106 106 THR CB C 106 69.293 69.293 69.479 -0.186 25411 20192 1 37 . 1 1 107 107 GLU N N 107 122.706 122.706 120.304 2.402 25411 20193 1 37 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.451 -0.269 25411 20194 1 37 . 1 1 107 107 GLU CA C 107 56.576 56.576 56.910 -0.334 25411 20195 1 37 . 1 1 107 107 GLU CB C 107 29.936 29.936 31.279 -1.343 25411 20196 1 37 . 1 1 107 107 GLU H H 107 8.404 8.404 7.738 0.666 25411 20197 1 37 . 1 1 108 108 GLU N N 108 122.034 122.034 118.719 3.315 25411 20198 1 37 . 1 1 108 108 GLU HA H 108 4.161 4.161 3.809 0.351 25411 20199 1 37 . 1 1 108 108 GLU CA C 108 56.649 56.649 58.721 -2.072 25411 20200 1 37 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.138 0.538 25411 20201 1 37 . 1 1 108 108 GLU H H 108 7.341 7.341 7.864 -0.523 25411 20202 1 37 . 1 1 109 109 ILE N N 109 122.151 122.151 118.319 3.832 25411 20203 1 37 . 1 1 109 109 ILE HA H 109 4.047 4.047 3.664 0.383 25411 20204 1 37 . 1 1 109 109 ILE CA C 109 61.565 61.565 64.037 -2.472 25411 20205 1 37 . 1 1 109 109 ILE CB C 109 38.104 38.104 37.999 0.105 25411 20206 1 37 . 1 1 109 109 ILE H H 109 8.058 8.058 8.234 -0.176 25411 20207 1 37 . 1 1 110 110 LEU N N 110 122.427 122.427 116.833 5.594 25411 20208 1 37 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.235 0.041 25411 20209 1 37 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.144 -0.993 25411 20210 1 37 . 1 1 110 110 LEU CB C 110 32.255 32.255 42.711 -10.456 25411 20211 1 37 . 1 1 110 110 LEU H H 110 8.194 8.194 8.053 0.141 25411 20212 1 37 . 1 1 111 111 LYS HA H 111 4.247 4.247 3.893 0.354 25411 20213 1 37 . 1 1 111 111 LYS CA C 111 56.137 56.137 59.702 -3.565 25411 20214 1 37 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.395 0.174 25411 20215 1 37 . 1 1 112 112 SER N N 112 116.453 116.453 110.896 5.557 25411 20216 1 37 . 1 1 112 112 SER HA H 112 4.175 4.175 3.939 0.236 25411 20217 1 37 . 1 1 112 112 SER CA C 112 58.311 58.311 61.035 -2.724 25411 20218 1 37 . 1 1 112 112 SER CB C 112 63.441 63.441 62.112 1.329 25411 20219 1 37 . 1 1 112 112 SER H H 112 8.204 8.204 8.757 -0.553 25411 20220 1 37 . 1 1 113 113 ASN N N 113 119.747 119.747 117.215 2.532 25411 20221 1 37 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.858 -0.214 25411 20222 1 37 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.782 0.863 25411 20223 1 37 . 1 1 113 113 ASN CB C 113 38.646 38.646 39.118 -0.472 25411 20224 1 37 . 1 1 113 113 ASN H H 113 7.944 7.944 8.051 -0.107 25411 20225 1 37 . 1 1 114 114 SER N N 114 115.433 115.433 115.703 -0.270 25411 20226 1 37 . 1 1 114 114 SER HA H 114 4.336 4.336 4.347 -0.011 25411 20227 1 37 . 1 1 114 114 SER CA C 114 58.711 58.711 59.348 -0.637 25411 20228 1 37 . 1 1 114 114 SER CB C 114 63.308 63.308 61.658 1.650 25411 20229 1 37 . 1 1 114 114 SER H H 114 7.962 7.962 8.537 -0.575 25411 20230 1 37 . 1 1 115 115 GLN N N 115 121.682 121.682 119.358 2.324 25411 20231 1 37 . 1 1 115 115 GLN HA H 115 4.274 4.274 3.968 0.306 25411 20232 1 37 . 1 1 115 115 GLN CA C 115 56.193 56.193 53.606 2.587 25411 20233 1 37 . 1 1 115 115 GLN CB C 115 28.807 28.807 31.512 -2.705 25411 20234 1 37 . 1 1 115 115 GLN H H 115 8.207 8.207 7.940 0.267 25411 20235 1 37 . 1 1 116 116 THR N N 116 114.715 114.715 113.191 1.524 25411 20236 1 37 . 1 1 116 116 THR HA H 116 4.225 4.225 4.670 -0.445 25411 20237 1 37 . 1 1 116 116 THR CA C 116 62.109 62.109 60.822 1.287 25411 20238 1 37 . 1 1 116 116 THR CB C 116 69.336 69.336 72.241 -2.905 25411 20239 1 37 . 1 1 116 116 THR H H 116 8.062 8.062 7.765 0.297 25411 20240 1 37 . 1 1 117 117 ASP N N 117 122.602 122.602 125.954 -3.352 25411 20241 1 37 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.362 0.206 25411 20242 1 37 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.737 -2.534 25411 20243 1 37 . 1 1 117 117 ASP CB C 117 40.665 40.665 39.782 0.883 25411 20244 1 37 . 1 1 117 117 ASP H H 117 8.065 8.065 8.761 -0.696 25411 20245 1 37 . 1 1 118 118 LEU N N 118 122.140 122.140 119.349 2.791 25411 20246 1 37 . 1 1 118 118 LEU HA H 118 4.155 4.155 3.969 0.186 25411 20247 1 37 . 1 1 118 118 LEU CA C 118 55.423 55.423 55.221 0.202 25411 20248 1 37 . 1 1 118 118 LEU CB C 118 41.873 41.873 40.813 1.060 25411 20249 1 37 . 1 1 118 118 LEU H H 118 8.085 8.085 7.674 0.411 25411 20250 1 37 . 1 1 119 119 GLU N N 119 119.672 119.672 113.570 6.102 25411 20251 1 37 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.176 -0.108 25411 20252 1 37 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.926 -1.361 25411 20253 1 37 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.657 1.915 25411 20254 1 37 . 1 1 119 119 GLU H H 119 8.143 8.143 7.797 0.346 25411 20255 1 37 . 1 1 120 120 HIS N N 120 118.301 118.301 115.666 2.635 25411 20256 1 37 . 1 1 120 120 HIS CA C 120 55.883 55.883 57.320 -1.437 25411 20257 1 37 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.399 -0.129 25411 20258 1 37 . 1 1 120 120 HIS H H 120 8.107 8.107 8.250 -0.143 25411 20259 1 37 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.845 -0.837 25411 20260 1 37 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.391 -0.225 25411 20261 1 37 . 1 1 121 121 HIS CB C 121 28.759 28.759 29.242 -0.483 25411 20262 1 37 . 1 1 122 122 HIS N N 122 122.407 122.407 117.643 4.764 25411 20263 1 37 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.876 -0.658 25411 20264 1 37 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.883 1.198 25411 20265 1 37 . 1 1 122 122 HIS CB C 122 29.371 29.371 32.579 -3.208 25411 20266 1 37 . 1 1 122 122 HIS H H 122 8.489 8.489 7.891 0.598 25411 20267 1 37 . 1 1 123 123 HIS N N 123 122.868 122.868 119.316 3.552 25411 20268 1 37 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.159 0.228 25411 20269 1 37 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.466 -1.156 25411 20270 1 37 . 1 1 123 123 HIS CB C 123 29.502 29.502 28.729 0.773 25411 20271 1 37 . 1 1 123 123 HIS H H 123 8.596 8.596 9.000 -0.404 25411 20272 1 37 . 1 1 124 124 HIS N N 124 123.734 123.734 122.486 1.248 25411 20273 1 37 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.880 -0.323 25411 20274 1 37 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.276 1.109 25411 20275 1 37 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.978 0.380 25411 20276 1 37 . 1 1 124 124 HIS H H 124 8.255 8.255 7.918 0.337 25411 20277 1 38 . 1 1 3 3 GLN N N 3 122.360 122.360 120.843 1.517 25411 20278 1 38 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.276 -0.388 25411 20279 1 38 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.941 1.802 25411 20280 1 38 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.111 0.272 25411 20281 1 38 . 1 1 3 3 GLN H H 3 9.398 9.398 8.754 0.644 25411 20282 1 38 . 1 1 4 4 GLU N N 4 119.689 119.689 119.779 -0.090 25411 20283 1 38 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.188 0.486 25411 20284 1 38 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.812 -0.005 25411 20285 1 38 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.751 -0.051 25411 20286 1 38 . 1 1 4 4 GLU H H 4 7.464 7.464 8.783 -1.319 25411 20287 1 38 . 1 1 5 5 LEU N N 5 114.872 114.872 122.354 -7.482 25411 20288 1 38 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.102 -0.401 25411 20289 1 38 . 1 1 5 5 LEU CA C 5 57.738 57.738 57.877 -0.139 25411 20290 1 38 . 1 1 5 5 LEU CB C 5 40.815 40.815 42.000 -1.185 25411 20291 1 38 . 1 1 5 5 LEU H H 5 8.206 8.206 7.720 0.486 25411 20292 1 38 . 1 1 6 6 SER N N 6 109.762 109.762 113.400 -3.638 25411 20293 1 38 . 1 1 6 6 SER HA H 6 4.092 4.092 4.108 -0.016 25411 20294 1 38 . 1 1 6 6 SER CA C 6 60.415 60.415 61.820 -1.405 25411 20295 1 38 . 1 1 6 6 SER CB C 6 63.391 63.391 62.471 0.920 25411 20296 1 38 . 1 1 6 6 SER H H 6 8.253 8.253 7.846 0.407 25411 20297 1 38 . 1 1 7 7 GLN N N 7 117.498 117.498 122.691 -5.193 25411 20298 1 38 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.181 -0.226 25411 20299 1 38 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.464 -0.039 25411 20300 1 38 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.708 0.031 25411 20301 1 38 . 1 1 7 7 GLN H H 7 8.673 8.673 7.883 0.790 25411 20302 1 38 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.281 -0.484 25411 20303 1 38 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.556 -0.501 25411 20304 1 38 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.369 -1.260 25411 20305 1 38 . 1 1 9 9 GLU N N 9 120.354 120.354 119.779 0.575 25411 20306 1 38 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.227 -0.268 25411 20307 1 38 . 1 1 9 9 GLU CA C 9 60.258 60.258 58.702 1.556 25411 20308 1 38 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.266 -0.039 25411 20309 1 38 . 1 1 9 9 GLU H H 9 7.690 7.690 8.470 -0.780 25411 20310 1 38 . 1 1 10 10 ARG N N 10 118.753 118.753 120.067 -1.314 25411 20311 1 38 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.084 0.015 25411 20312 1 38 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.418 -1.197 25411 20313 1 38 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.202 -1.107 25411 20314 1 38 . 1 1 10 10 ARG H H 10 8.928 8.928 8.014 0.914 25411 20315 1 38 . 1 1 11 11 TYR N N 11 121.288 121.288 120.207 1.081 25411 20316 1 38 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.270 -0.081 25411 20317 1 38 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.293 -1.057 25411 20318 1 38 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.481 -0.620 25411 20319 1 38 . 1 1 11 11 TYR H H 11 7.562 7.562 8.436 -0.874 25411 20320 1 38 . 1 1 12 12 VAL N N 12 119.304 119.304 119.423 -0.119 25411 20321 1 38 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.752 -0.669 25411 20322 1 38 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.413 0.422 25411 20323 1 38 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.259 -0.160 25411 20324 1 38 . 1 1 12 12 VAL H H 12 8.075 8.075 8.133 -0.058 25411 20325 1 38 . 1 1 13 13 GLU N N 13 119.685 119.685 120.507 -0.822 25411 20326 1 38 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.054 0.101 25411 20327 1 38 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.622 -0.197 25411 20328 1 38 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.218 -0.030 25411 20329 1 38 . 1 1 13 13 GLU H H 13 8.278 8.278 8.213 0.065 25411 20330 1 38 . 1 1 14 14 GLN N N 14 119.682 119.682 120.134 -0.452 25411 20331 1 38 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.026 -0.370 25411 20332 1 38 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.970 0.999 25411 20333 1 38 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.274 1.399 25411 20334 1 38 . 1 1 14 14 GLN H H 14 7.653 7.653 8.348 -0.695 25411 20335 1 38 . 1 1 15 15 LEU N N 15 121.000 121.000 120.011 0.989 25411 20336 1 38 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.021 -0.100 25411 20337 1 38 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.686 0.769 25411 20338 1 38 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.209 -0.449 25411 20339 1 38 . 1 1 15 15 LEU H H 15 8.402 8.402 8.578 -0.176 25411 20340 1 38 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.848 -0.152 25411 20341 1 38 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.347 -0.089 25411 20342 1 38 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.296 -0.161 25411 20343 1 38 . 1 1 17 17 GLN N N 17 117.558 117.558 118.479 -0.921 25411 20344 1 38 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.050 -0.163 25411 20345 1 38 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.742 -0.300 25411 20346 1 38 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.700 -0.655 25411 20347 1 38 . 1 1 17 17 GLN H H 17 7.849 7.849 8.081 -0.232 25411 20348 1 38 . 1 1 18 18 ALA N N 18 120.288 120.288 123.074 -2.786 25411 20349 1 38 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.152 -0.364 25411 20350 1 38 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.859 0.034 25411 20351 1 38 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.590 -1.194 25411 20352 1 38 . 1 1 18 18 ALA H H 18 8.504 8.504 8.363 0.141 25411 20353 1 38 . 1 1 19 19 LEU N N 19 116.974 116.974 118.262 -1.288 25411 20354 1 38 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.040 -0.281 25411 20355 1 38 . 1 1 19 19 LEU CA C 19 57.552 57.552 57.163 0.389 25411 20356 1 38 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.849 -1.157 25411 20357 1 38 . 1 1 19 19 LEU H H 19 8.143 8.143 8.500 -0.357 25411 20358 1 38 . 1 1 20 20 LYS N N 20 117.776 117.776 120.952 -3.176 25411 20359 1 38 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.098 -0.143 25411 20360 1 38 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.633 -0.089 25411 20361 1 38 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.562 -2.076 25411 20362 1 38 . 1 1 20 20 LYS H H 20 8.340 8.340 8.153 0.187 25411 20363 1 38 . 1 1 21 21 THR N N 21 116.373 116.373 111.692 4.681 25411 20364 1 38 . 1 1 21 21 THR HA H 21 4.107 4.107 4.184 -0.077 25411 20365 1 38 . 1 1 21 21 THR CA C 21 64.611 64.611 64.630 -0.019 25411 20366 1 38 . 1 1 21 21 THR CB C 21 68.811 68.811 68.372 0.439 25411 20367 1 38 . 1 1 21 21 THR H H 21 7.302 7.302 7.997 -0.695 25411 20368 1 38 . 1 1 22 22 ARG N N 22 118.647 118.647 119.463 -0.816 25411 20369 1 38 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.464 -0.102 25411 20370 1 38 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.852 -1.787 25411 20371 1 38 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.264 -1.736 25411 20372 1 38 . 1 1 22 22 ARG H H 22 7.290 7.290 7.795 -0.505 25411 20373 1 38 . 1 1 23 23 GLY N N 23 108.637 108.637 107.772 0.865 25411 20374 1 38 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.723 0.389 25411 20375 1 38 . 1 1 23 23 GLY H H 23 7.881 7.881 7.689 0.192 25411 20376 1 38 . 1 1 24 24 VAL N N 24 117.390 117.390 122.592 -5.202 25411 20377 1 38 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.786 0.228 25411 20378 1 38 . 1 1 24 24 VAL CA C 24 61.668 61.668 63.404 -1.736 25411 20379 1 38 . 1 1 24 24 VAL CB C 24 32.372 32.372 28.955 3.417 25411 20380 1 38 . 1 1 24 24 VAL H H 24 7.333 7.333 7.498 -0.165 25411 20381 1 38 . 1 1 25 25 LYS N N 25 127.322 127.322 118.888 8.434 25411 20382 1 38 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.936 0.396 25411 20383 1 38 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.506 -1.744 25411 20384 1 38 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.695 0.066 25411 20385 1 38 . 1 1 25 25 LYS H H 25 8.722 8.722 8.250 0.472 25411 20386 1 38 . 1 1 26 26 VAL N N 26 120.568 120.568 118.102 2.466 25411 20387 1 38 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.246 -0.168 25411 20388 1 38 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.683 -1.018 25411 20389 1 38 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.201 0.446 25411 20390 1 38 . 1 1 26 26 VAL H H 26 7.119 7.119 8.212 -1.093 25411 20391 1 38 . 1 1 27 27 LYS N N 27 125.675 125.675 127.867 -2.192 25411 20392 1 38 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.377 -0.051 25411 20393 1 38 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.177 0.234 25411 20394 1 38 . 1 1 27 27 LYS CB C 27 31.959 31.959 35.196 -3.237 25411 20395 1 38 . 1 1 27 27 LYS H H 27 8.570 8.570 8.096 0.474 25411 20396 1 38 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.466 -0.449 25411 20397 1 38 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.786 -2.374 25411 20398 1 38 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.786 2.054 25411 20399 1 38 . 1 1 29 29 ALA N N 29 120.743 120.743 128.362 -7.619 25411 20400 1 38 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.133 -0.465 25411 20401 1 38 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.071 -0.393 25411 20402 1 38 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.162 -1.162 25411 20403 1 38 . 1 1 29 29 ALA H H 29 8.323 8.323 8.762 -0.439 25411 20404 1 38 . 1 1 30 30 ASP N N 30 117.202 117.202 118.340 -1.138 25411 20405 1 38 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.440 -0.159 25411 20406 1 38 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.336 0.217 25411 20407 1 38 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.423 0.384 25411 20408 1 38 . 1 1 30 30 ASP H H 30 6.872 6.872 8.878 -2.006 25411 20409 1 38 . 1 1 31 31 LEU N N 31 122.273 122.273 118.588 3.685 25411 20410 1 38 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.348 -0.802 25411 20411 1 38 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.596 0.129 25411 20412 1 38 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.117 -1.458 25411 20413 1 38 . 1 1 31 31 LEU H H 31 7.433 7.433 7.625 -0.192 25411 20414 1 38 . 1 1 32 32 LEU N N 32 123.376 123.376 119.223 4.153 25411 20415 1 38 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.228 -0.613 25411 20416 1 38 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.334 -0.237 25411 20417 1 38 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.919 -1.377 25411 20418 1 38 . 1 1 32 32 LEU H H 32 8.727 8.727 7.907 0.820 25411 20419 1 38 . 1 1 33 33 LYS N N 33 118.078 118.078 120.146 -2.068 25411 20420 1 38 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.489 -0.276 25411 20421 1 38 . 1 1 33 33 LYS CA C 33 59.098 59.098 58.624 0.474 25411 20422 1 38 . 1 1 33 33 LYS CB C 33 31.890 31.890 31.722 0.168 25411 20423 1 38 . 1 1 33 33 LYS H H 33 7.149 7.149 7.771 -0.622 25411 20424 1 38 . 1 1 34 34 PHE N N 34 117.398 117.398 121.228 -3.830 25411 20425 1 38 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.643 -4.948 25411 20426 1 38 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.016 2.203 25411 20427 1 38 . 1 1 34 34 PHE H H 34 7.633 7.633 8.349 -0.716 25411 20428 1 38 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.108 -0.315 25411 20429 1 38 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.958 -0.366 25411 20430 1 38 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.464 -2.450 25411 20431 1 38 . 1 1 36 36 ASP N N 36 120.136 120.136 119.205 0.931 25411 20432 1 38 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.388 -0.292 25411 20433 1 38 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.071 -0.130 25411 20434 1 38 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.590 -1.486 25411 20435 1 38 . 1 1 36 36 ASP H H 36 8.330 8.330 8.826 -0.496 25411 20436 1 38 . 1 1 37 37 PHE N N 37 121.883 121.883 120.862 1.021 25411 20437 1 38 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.349 -0.091 25411 20438 1 38 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.461 -1.763 25411 20439 1 38 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.478 0.707 25411 20440 1 38 . 1 1 37 37 PHE H H 37 7.794 7.794 8.306 -0.512 25411 20441 1 38 . 1 1 38 38 VAL N N 38 118.525 118.525 119.092 -0.567 25411 20442 1 38 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.309 -0.270 25411 20443 1 38 . 1 1 38 38 VAL CA C 38 66.882 66.882 65.946 0.936 25411 20444 1 38 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.411 -0.723 25411 20445 1 38 . 1 1 38 38 VAL H H 38 8.262 8.262 7.731 0.531 25411 20446 1 38 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.911 -0.455 25411 20447 1 38 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.156 -0.101 25411 20448 1 38 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.894 -0.198 25411 20449 1 38 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.463 -0.018 25411 20450 1 38 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.492 0.493 25411 20451 1 38 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.840 -1.147 25411 20452 1 38 . 1 1 41 41 ILE N N 41 120.641 120.641 119.289 1.352 25411 20453 1 38 . 1 1 41 41 ILE HA H 41 4.025 4.025 3.766 0.259 25411 20454 1 38 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.674 -3.022 25411 20455 1 38 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.565 -0.501 25411 20456 1 38 . 1 1 41 41 ILE H H 41 8.788 8.788 8.053 0.735 25411 20457 1 38 . 1 1 42 42 CYS N N 42 117.896 117.896 115.328 2.568 25411 20458 1 38 . 1 1 42 42 CYS CA C 42 56.172 56.172 56.334 -0.162 25411 20459 1 38 . 1 1 42 42 CYS CB C 42 28.324 28.324 28.383 -0.059 25411 20460 1 38 . 1 1 42 42 CYS H H 42 7.180 7.180 7.739 -0.559 25411 20461 1 38 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.182 0.133 25411 20462 1 38 . 1 1 43 43 PRO CA C 43 65.003 65.003 65.340 -0.337 25411 20463 1 38 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.522 -0.807 25411 20464 1 38 . 1 1 44 44 TRP N N 44 113.823 113.823 115.494 -1.671 25411 20465 1 38 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.447 -0.142 25411 20466 1 38 . 1 1 44 44 TRP CA C 44 55.398 55.398 56.310 -0.912 25411 20467 1 38 . 1 1 44 44 TRP CB C 44 27.811 27.811 28.537 -0.726 25411 20468 1 38 . 1 1 44 44 TRP H H 44 6.591 6.591 7.636 -1.045 25411 20469 1 38 . 1 1 45 45 PHE N N 45 123.100 123.100 116.415 6.685 25411 20470 1 38 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.035 -1.034 25411 20471 1 38 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.569 8.240 25411 20472 1 38 . 1 1 45 45 PHE CB C 45 34.935 34.935 37.963 -3.028 25411 20473 1 38 . 1 1 45 45 PHE H H 45 7.239 7.239 7.279 -0.040 25411 20474 1 38 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.200 -0.188 25411 20475 1 38 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.662 -0.131 25411 20476 1 38 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.463 -0.976 25411 20477 1 38 . 1 1 47 47 GLN N N 47 114.502 114.502 116.384 -1.882 25411 20478 1 38 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.129 -0.192 25411 20479 1 38 . 1 1 47 47 GLN CA C 47 58.404 58.404 57.780 0.624 25411 20480 1 38 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.953 0.366 25411 20481 1 38 . 1 1 47 47 GLN H H 47 6.518 6.518 8.603 -2.085 25411 20482 1 38 . 1 1 48 48 GLU N N 48 117.358 117.358 119.186 -1.828 25411 20483 1 38 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.225 -0.187 25411 20484 1 38 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.855 1.317 25411 20485 1 38 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.472 -1.518 25411 20486 1 38 . 1 1 48 48 GLU H H 48 7.318 7.318 7.890 -0.572 25411 20487 1 38 . 1 1 49 49 GLY N N 49 105.534 105.534 108.750 -3.216 25411 20488 1 38 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.638 1.665 25411 20489 1 38 . 1 1 49 49 GLY H H 49 7.296 7.296 7.786 -0.490 25411 20490 1 38 . 1 1 50 50 THR N N 50 114.069 114.069 113.192 0.877 25411 20491 1 38 . 1 1 50 50 THR HA H 50 4.234 4.234 4.503 -0.269 25411 20492 1 38 . 1 1 50 50 THR CA C 50 61.683 61.683 60.229 1.454 25411 20493 1 38 . 1 1 50 50 THR CB C 50 70.718 70.718 71.068 -0.350 25411 20494 1 38 . 1 1 50 50 THR H H 50 7.597 7.597 7.636 -0.039 25411 20495 1 38 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.316 -0.191 25411 20496 1 38 . 1 1 51 51 ILE CA C 51 59.870 59.870 60.758 -0.888 25411 20497 1 38 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.896 -4.608 25411 20498 1 38 . 1 1 52 52 ASP N N 52 121.791 121.791 122.809 -1.018 25411 20499 1 38 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.701 -0.078 25411 20500 1 38 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.852 -1.120 25411 20501 1 38 . 1 1 52 52 ASP CB C 52 42.461 42.461 43.792 -1.331 25411 20502 1 38 . 1 1 52 52 ASP H H 52 7.168 7.168 8.135 -0.967 25411 20503 1 38 . 1 1 53 53 ILE N N 53 119.537 119.537 117.806 1.731 25411 20504 1 38 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.543 -0.408 25411 20505 1 38 . 1 1 53 53 ILE CA C 53 61.796 61.796 61.674 0.122 25411 20506 1 38 . 1 1 53 53 ILE CB C 53 37.815 37.815 40.086 -2.271 25411 20507 1 38 . 1 1 53 53 ILE H H 53 8.336 8.336 8.487 -0.151 25411 20508 1 38 . 1 1 54 54 LYS N N 54 123.592 123.592 121.749 1.843 25411 20509 1 38 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.151 -0.045 25411 20510 1 38 . 1 1 54 54 LYS CA C 54 59.972 59.972 59.908 0.064 25411 20511 1 38 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.253 -0.505 25411 20512 1 38 . 1 1 54 54 LYS H H 54 8.104 8.104 8.111 -0.007 25411 20513 1 38 . 1 1 55 55 ARG N N 55 120.511 120.511 119.657 0.854 25411 20514 1 38 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.004 0.297 25411 20515 1 38 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.287 0.616 25411 20516 1 38 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.392 -0.336 25411 20517 1 38 . 1 1 55 55 ARG H H 55 9.196 9.196 8.892 0.304 25411 20518 1 38 . 1 1 56 56 TRP N N 56 120.681 120.681 121.927 -1.246 25411 20519 1 38 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.506 0.197 25411 20520 1 38 . 1 1 56 56 TRP CA C 56 59.406 59.406 59.950 -0.544 25411 20521 1 38 . 1 1 56 56 TRP CB C 56 30.014 30.014 28.867 1.147 25411 20522 1 38 . 1 1 56 56 TRP H H 56 8.899 8.899 8.878 0.021 25411 20523 1 38 . 1 1 57 57 ARG N N 57 122.115 122.115 120.390 1.725 25411 20524 1 38 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.371 1.036 25411 20525 1 38 . 1 1 57 57 ARG CA C 57 60.027 60.027 58.277 1.750 25411 20526 1 38 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.336 0.450 25411 20527 1 38 . 1 1 57 57 ARG H H 57 9.210 9.210 7.815 1.395 25411 20528 1 38 . 1 1 58 58 ARG N N 58 120.918 120.918 119.642 1.276 25411 20529 1 38 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.122 0.723 25411 20530 1 38 . 1 1 58 58 ARG CB C 58 29.729 29.729 29.973 -0.244 25411 20531 1 38 . 1 1 58 58 ARG H H 58 7.640 7.640 7.521 0.119 25411 20532 1 38 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.858 -0.094 25411 20533 1 38 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.427 0.573 25411 20534 1 38 . 1 1 59 59 VAL CB C 59 30.832 30.832 30.967 -0.135 25411 20535 1 38 . 1 1 59 59 VAL H H 59 7.916 7.916 7.814 0.102 25411 20536 1 38 . 1 1 60 60 GLY N N 60 106.856 106.856 107.664 -0.808 25411 20537 1 38 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.012 -0.931 25411 20538 1 38 . 1 1 60 60 GLY H H 60 7.623 7.623 8.315 -0.692 25411 20539 1 38 . 1 1 61 61 ASP N N 61 123.308 123.308 121.818 1.490 25411 20540 1 38 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.437 -0.212 25411 20541 1 38 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.219 -0.419 25411 20542 1 38 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.838 -1.354 25411 20543 1 38 . 1 1 61 61 ASP H H 61 8.203 8.203 7.892 0.311 25411 20544 1 38 . 1 1 62 62 CYS N N 62 120.841 120.841 118.167 2.674 25411 20545 1 38 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.164 0.074 25411 20546 1 38 . 1 1 62 62 CYS CA C 62 62.950 62.950 63.422 -0.472 25411 20547 1 38 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.444 0.059 25411 20548 1 38 . 1 1 62 62 CYS H H 62 7.795 7.795 7.639 0.156 25411 20549 1 38 . 1 1 63 63 PHE N N 63 119.763 119.763 120.837 -1.074 25411 20550 1 38 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.312 -0.034 25411 20551 1 38 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.559 -2.902 25411 20552 1 38 . 1 1 63 63 PHE CB C 63 36.990 36.990 39.220 -2.230 25411 20553 1 38 . 1 1 63 63 PHE H H 63 8.647 8.647 8.053 0.594 25411 20554 1 38 . 1 1 64 64 GLN N N 64 118.578 118.578 119.684 -1.106 25411 20555 1 38 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.197 0.111 25411 20556 1 38 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.657 0.676 25411 20557 1 38 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.405 0.174 25411 20558 1 38 . 1 1 64 64 GLN H H 64 8.261 8.261 8.364 -0.103 25411 20559 1 38 . 1 1 65 65 ASP N N 65 119.534 119.534 121.274 -1.740 25411 20560 1 38 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.333 0.151 25411 20561 1 38 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.023 0.306 25411 20562 1 38 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.877 -1.206 25411 20563 1 38 . 1 1 65 65 ASP H H 65 8.338 8.338 8.332 0.006 25411 20564 1 38 . 1 1 66 66 TYR N N 66 123.600 123.600 122.025 1.575 25411 20565 1 38 . 1 1 66 66 TYR HA H 66 4.502 4.502 4.012 0.490 25411 20566 1 38 . 1 1 66 66 TYR CA C 66 61.231 61.231 61.879 -0.648 25411 20567 1 38 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.186 0.247 25411 20568 1 38 . 1 1 66 66 TYR H H 66 7.804 7.804 8.367 -0.563 25411 20569 1 38 . 1 1 67 67 TYR N N 67 122.825 122.825 118.805 4.020 25411 20570 1 38 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.630 0.367 25411 20571 1 38 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.514 0.389 25411 20572 1 38 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.355 0.591 25411 20573 1 38 . 1 1 67 67 TYR H H 67 9.100 9.100 8.077 1.023 25411 20574 1 38 . 1 1 68 68 ASN N N 68 118.826 118.826 116.945 1.881 25411 20575 1 38 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.183 0.100 25411 20576 1 38 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.553 -0.121 25411 20577 1 38 . 1 1 68 68 ASN CB C 68 37.876 37.876 37.958 -0.082 25411 20578 1 38 . 1 1 68 68 ASN H H 68 8.853 8.853 8.394 0.459 25411 20579 1 38 . 1 1 69 69 THR N N 69 114.242 114.242 113.764 0.478 25411 20580 1 38 . 1 1 69 69 THR HA H 69 3.837 3.837 3.836 0.001 25411 20581 1 38 . 1 1 69 69 THR CA C 69 65.328 65.328 65.452 -0.124 25411 20582 1 38 . 1 1 69 69 THR CB C 69 69.249 69.249 68.452 0.797 25411 20583 1 38 . 1 1 69 69 THR H H 69 7.847 7.847 7.892 -0.045 25411 20584 1 38 . 1 1 70 70 PHE N N 70 117.970 117.970 117.984 -0.014 25411 20585 1 38 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.594 -0.030 25411 20586 1 38 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.845 0.397 25411 20587 1 38 . 1 1 70 70 PHE CB C 70 41.074 41.074 39.749 1.325 25411 20588 1 38 . 1 1 70 70 PHE H H 70 8.489 8.489 7.194 1.295 25411 20589 1 38 . 1 1 71 71 GLY N N 71 109.516 109.516 105.723 3.793 25411 20590 1 38 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.496 0.536 25411 20591 1 38 . 1 1 71 71 GLY H H 71 7.968 7.968 7.939 0.029 25411 20592 1 38 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.497 0.214 25411 20593 1 38 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.548 0.749 25411 20594 1 38 . 1 1 72 72 PRO CB C 72 31.744 31.744 32.110 -0.366 25411 20595 1 38 . 1 1 73 73 GLU N N 73 117.720 117.720 124.935 -7.215 25411 20596 1 38 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.168 -0.269 25411 20597 1 38 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.715 0.021 25411 20598 1 38 . 1 1 73 73 GLU CB C 73 28.863 28.863 30.109 -1.246 25411 20599 1 38 . 1 1 73 73 GLU H H 73 8.586 8.586 8.844 -0.258 25411 20600 1 38 . 1 1 74 74 LYS N N 74 116.974 116.974 118.443 -1.469 25411 20601 1 38 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.477 -0.088 25411 20602 1 38 . 1 1 74 74 LYS CA C 74 55.185 55.185 56.460 -1.275 25411 20603 1 38 . 1 1 74 74 LYS CB C 74 34.087 34.087 32.991 1.096 25411 20604 1 38 . 1 1 74 74 LYS H H 74 7.505 7.505 8.260 -0.755 25411 20605 1 38 . 1 1 75 75 VAL N N 75 117.309 117.309 122.443 -5.134 25411 20606 1 38 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.517 -0.204 25411 20607 1 38 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.184 1.861 25411 20608 1 38 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.703 -0.719 25411 20609 1 38 . 1 1 75 75 VAL H H 75 7.402 7.402 7.790 -0.388 25411 20610 1 38 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.671 -0.110 25411 20611 1 38 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.771 -1.084 25411 20612 1 38 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.700 -0.969 25411 20613 1 38 . 1 1 77 77 VAL N N 77 120.870 120.870 123.304 -2.434 25411 20614 1 38 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.226 -0.398 25411 20615 1 38 . 1 1 77 77 VAL CA C 77 65.838 65.838 63.862 1.976 25411 20616 1 38 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.981 -0.594 25411 20617 1 38 . 1 1 77 77 VAL H H 77 8.473 8.473 8.788 -0.315 25411 20618 1 38 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.872 -0.020 25411 20619 1 38 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.304 -3.179 25411 20620 1 38 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.969 0.166 25411 20621 1 38 . 1 1 78 78 ILE H H 78 8.388 8.388 8.156 0.232 25411 20622 1 38 . 1 1 79 79 ALA N N 79 123.960 123.960 122.958 1.002 25411 20623 1 38 . 1 1 79 79 ALA HA H 79 3.890 3.890 3.980 -0.090 25411 20624 1 38 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.336 0.553 25411 20625 1 38 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.247 -0.624 25411 20626 1 38 . 1 1 79 79 ALA H H 79 7.953 7.953 7.693 0.260 25411 20627 1 38 . 1 1 80 80 PHE N N 80 114.330 114.330 114.555 -0.225 25411 20628 1 38 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.607 -0.176 25411 20629 1 38 . 1 1 80 80 PHE CA C 80 61.312 61.312 60.311 1.001 25411 20630 1 38 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.473 -1.817 25411 20631 1 38 . 1 1 80 80 PHE H H 80 7.499 7.499 8.173 -0.674 25411 20632 1 38 . 1 1 81 81 SER N N 81 115.971 115.971 114.868 1.103 25411 20633 1 38 . 1 1 81 81 SER HA H 81 4.206 4.206 4.493 -0.287 25411 20634 1 38 . 1 1 81 81 SER CA C 81 58.432 58.432 59.086 -0.654 25411 20635 1 38 . 1 1 81 81 SER CB C 81 63.575 63.575 63.847 -0.272 25411 20636 1 38 . 1 1 81 81 SER H H 81 8.225 8.225 7.793 0.432 25411 20637 1 38 . 1 1 82 82 TYR N N 82 121.997 121.997 123.294 -1.297 25411 20638 1 38 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.474 -0.027 25411 20639 1 38 . 1 1 82 82 TYR CA C 82 55.885 55.885 58.139 -2.254 25411 20640 1 38 . 1 1 82 82 TYR CB C 82 37.838 37.838 37.515 0.323 25411 20641 1 38 . 1 1 82 82 TYR H H 82 8.378 8.378 8.109 0.269 25411 20642 1 38 . 1 1 83 83 TRP N N 83 120.268 120.268 121.712 -1.444 25411 20643 1 38 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.014 -4.621 25411 20644 1 38 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.340 -0.446 25411 20645 1 38 . 1 1 83 83 TRP H H 83 8.546 8.546 8.675 -0.129 25411 20646 1 38 . 1 1 84 84 ASN HA H 84 4.220 4.220 3.889 0.331 25411 20647 1 38 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.346 0.283 25411 20648 1 38 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.596 1.468 25411 20649 1 38 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.251 -0.205 25411 20650 1 38 . 1 1 85 85 LEU CA C 85 58.142 58.142 56.857 1.285 25411 20651 1 38 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.995 -0.302 25411 20652 1 38 . 1 1 86 86 ILE N N 86 117.000 117.000 119.774 -2.774 25411 20653 1 38 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.432 0.014 25411 20654 1 38 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.619 -2.336 25411 20655 1 38 . 1 1 86 86 ILE CB C 86 34.412 34.412 36.107 -1.695 25411 20656 1 38 . 1 1 86 86 ILE H H 86 7.882 7.882 7.581 0.301 25411 20657 1 38 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.816 -0.590 25411 20658 1 38 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.028 0.968 25411 20659 1 38 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.697 -0.647 25411 20660 1 38 . 1 1 88 88 GLU N N 88 116.404 116.404 117.280 -0.876 25411 20661 1 38 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.370 -0.523 25411 20662 1 38 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.042 0.869 25411 20663 1 38 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.113 -0.144 25411 20664 1 38 . 1 1 88 88 GLU H H 88 7.689 7.689 7.711 -0.022 25411 20665 1 38 . 1 1 89 89 LEU N N 89 118.193 118.193 121.578 -3.385 25411 20666 1 38 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.152 -0.263 25411 20667 1 38 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.614 1.349 25411 20668 1 38 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.218 -0.918 25411 20669 1 38 . 1 1 89 89 LEU H H 89 7.415 7.415 7.658 -0.243 25411 20670 1 38 . 1 1 90 90 ILE N N 90 115.471 115.471 120.143 -4.672 25411 20671 1 38 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.696 -0.278 25411 20672 1 38 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.137 0.771 25411 20673 1 38 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.629 -0.035 25411 20674 1 38 . 1 1 90 90 ILE H H 90 7.718 7.718 7.528 0.190 25411 20675 1 38 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.530 -0.810 25411 20676 1 38 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.864 0.800 25411 20677 1 38 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.204 0.328 25411 20678 1 38 . 1 1 92 92 LYS N N 92 119.253 119.253 118.519 0.734 25411 20679 1 38 . 1 1 92 92 LYS CA C 92 58.897 58.897 56.774 2.123 25411 20680 1 38 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.055 -0.067 25411 20681 1 38 . 1 1 92 92 LYS H H 92 7.869 7.869 7.569 0.300 25411 20682 1 38 . 1 1 93 93 LYS HA H 93 4.531 4.531 4.058 0.473 25411 20683 1 38 . 1 1 93 93 LYS CA C 93 55.258 55.258 57.911 -2.653 25411 20684 1 38 . 1 1 93 93 LYS CB C 93 32.169 32.169 31.989 0.180 25411 20685 1 38 . 1 1 94 94 GLU N N 94 116.729 116.729 120.849 -4.120 25411 20686 1 38 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.107 0.026 25411 20687 1 38 . 1 1 94 94 GLU CA C 94 59.319 59.319 59.081 0.238 25411 20688 1 38 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.194 -1.819 25411 20689 1 38 . 1 1 94 94 GLU H H 94 8.393 8.393 8.149 0.244 25411 20690 1 38 . 1 1 95 95 VAL N N 95 121.696 121.696 117.457 4.239 25411 20691 1 38 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.883 0.599 25411 20692 1 38 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.447 3.274 25411 20693 1 38 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.463 1.431 25411 20694 1 38 . 1 1 95 95 VAL H H 95 7.923 7.923 7.581 0.342 25411 20695 1 38 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.560 -0.202 25411 20696 1 38 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.507 0.100 25411 20697 1 38 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.529 -0.655 25411 20698 1 38 . 1 1 98 98 GLN N N 98 117.731 117.731 120.147 -2.416 25411 20699 1 38 . 1 1 98 98 GLN HA H 98 3.925 3.925 3.965 -0.040 25411 20700 1 38 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.874 -0.266 25411 20701 1 38 . 1 1 98 98 GLN CB C 98 28.521 28.521 28.057 0.464 25411 20702 1 38 . 1 1 98 98 GLN H H 98 8.359 8.359 8.700 -0.341 25411 20703 1 38 . 1 1 99 99 VAL N N 99 121.326 121.326 117.931 3.395 25411 20704 1 38 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.740 -0.320 25411 20705 1 38 . 1 1 99 99 VAL CA C 99 66.404 66.404 64.898 1.506 25411 20706 1 38 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.265 0.354 25411 20707 1 38 . 1 1 99 99 VAL H H 99 7.901 7.901 8.003 -0.102 25411 20708 1 38 . 1 1 100 100 MET N N 100 120.447 120.447 117.714 2.733 25411 20709 1 38 . 1 1 100 100 MET HA H 100 3.812 3.812 4.362 -0.550 25411 20710 1 38 . 1 1 100 100 MET CA C 100 59.297 59.297 57.864 1.433 25411 20711 1 38 . 1 1 100 100 MET CB C 100 32.099 32.099 33.464 -1.365 25411 20712 1 38 . 1 1 100 100 MET H H 100 7.509 7.509 7.622 -0.113 25411 20713 1 38 . 1 1 101 101 ALA N N 101 119.458 119.458 121.098 -1.640 25411 20714 1 38 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.183 0.027 25411 20715 1 38 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.434 0.318 25411 20716 1 38 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.416 -0.895 25411 20717 1 38 . 1 1 101 101 ALA H H 101 7.889 7.889 7.591 0.298 25411 20718 1 38 . 1 1 102 102 ALA N N 102 119.627 119.627 121.305 -1.678 25411 20719 1 38 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.420 -0.427 25411 20720 1 38 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.120 0.768 25411 20721 1 38 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.469 -1.125 25411 20722 1 38 . 1 1 102 102 ALA H H 102 7.563 7.563 8.296 -0.733 25411 20723 1 38 . 1 1 103 103 VAL N N 103 122.690 122.690 118.518 4.172 25411 20724 1 38 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.881 0.192 25411 20725 1 38 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.903 -4.218 25411 20726 1 38 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.063 2.159 25411 20727 1 38 . 1 1 103 103 VAL H H 103 8.828 8.828 8.049 0.779 25411 20728 1 38 . 1 1 104 104 ALA N N 104 128.041 128.041 119.584 8.457 25411 20729 1 38 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.153 0.116 25411 20730 1 38 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.789 -2.648 25411 20731 1 38 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.452 0.488 25411 20732 1 38 . 1 1 104 104 ALA H H 104 8.367 8.367 7.583 0.784 25411 20733 1 38 . 1 1 105 105 GLN N N 105 120.265 120.265 116.294 3.971 25411 20734 1 38 . 1 1 105 105 GLN CA C 105 56.931 56.931 57.494 -0.563 25411 20735 1 38 . 1 1 105 105 GLN CB C 105 29.020 29.020 29.872 -0.852 25411 20736 1 38 . 1 1 105 105 GLN H H 105 8.356 8.356 7.756 0.600 25411 20737 1 38 . 1 1 106 106 THR HA H 106 4.320 4.320 4.432 -0.112 25411 20738 1 38 . 1 1 106 106 THR CA C 106 61.346 61.346 63.596 -2.251 25411 20739 1 38 . 1 1 106 106 THR CB C 106 69.293 69.293 69.325 -0.032 25411 20740 1 38 . 1 1 107 107 GLU N N 107 122.706 122.706 120.989 1.717 25411 20741 1 38 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.378 -0.196 25411 20742 1 38 . 1 1 107 107 GLU CA C 107 56.576 56.576 58.243 -1.667 25411 20743 1 38 . 1 1 107 107 GLU CB C 107 29.936 29.936 31.303 -1.367 25411 20744 1 38 . 1 1 107 107 GLU H H 107 8.404 8.404 7.636 0.768 25411 20745 1 38 . 1 1 108 108 GLU N N 108 122.034 122.034 115.079 6.955 25411 20746 1 38 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.069 0.092 25411 20747 1 38 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.259 -0.610 25411 20748 1 38 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.349 0.327 25411 20749 1 38 . 1 1 108 108 GLU H H 108 7.341 7.341 7.993 -0.652 25411 20750 1 38 . 1 1 109 109 ILE N N 109 122.151 122.151 116.329 5.822 25411 20751 1 38 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.235 -0.188 25411 20752 1 38 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.987 -1.422 25411 20753 1 38 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.320 -0.216 25411 20754 1 38 . 1 1 109 109 ILE H H 109 8.058 8.058 8.693 -0.635 25411 20755 1 38 . 1 1 110 110 LEU N N 110 122.427 122.427 121.388 1.039 25411 20756 1 38 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.102 0.174 25411 20757 1 38 . 1 1 110 110 LEU CA C 110 55.151 55.151 57.074 -1.923 25411 20758 1 38 . 1 1 110 110 LEU CB C 110 32.255 32.255 41.175 -8.920 25411 20759 1 38 . 1 1 110 110 LEU H H 110 8.194 8.194 7.990 0.204 25411 20760 1 38 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.108 0.139 25411 20761 1 38 . 1 1 111 111 LYS CA C 111 56.137 56.137 57.983 -1.846 25411 20762 1 38 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.100 0.469 25411 20763 1 38 . 1 1 112 112 SER N N 112 116.453 116.453 113.032 3.421 25411 20764 1 38 . 1 1 112 112 SER HA H 112 4.175 4.175 4.026 0.149 25411 20765 1 38 . 1 1 112 112 SER CA C 112 58.311 58.311 59.535 -1.224 25411 20766 1 38 . 1 1 112 112 SER CB C 112 63.441 63.441 62.780 0.661 25411 20767 1 38 . 1 1 112 112 SER H H 112 8.204 8.204 7.979 0.225 25411 20768 1 38 . 1 1 113 113 ASN N N 113 119.747 119.747 113.435 6.312 25411 20769 1 38 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.688 -0.044 25411 20770 1 38 . 1 1 113 113 ASN CA C 113 53.645 53.645 52.394 1.251 25411 20771 1 38 . 1 1 113 113 ASN CB C 113 38.646 38.646 40.195 -1.549 25411 20772 1 38 . 1 1 113 113 ASN H H 113 7.944 7.944 7.338 0.606 25411 20773 1 38 . 1 1 114 114 SER N N 114 115.433 115.433 113.807 1.626 25411 20774 1 38 . 1 1 114 114 SER HA H 114 4.336 4.336 4.511 -0.174 25411 20775 1 38 . 1 1 114 114 SER CA C 114 58.711 58.711 59.357 -0.646 25411 20776 1 38 . 1 1 114 114 SER CB C 114 63.308 63.308 62.247 1.061 25411 20777 1 38 . 1 1 114 114 SER H H 114 7.962 7.962 8.601 -0.639 25411 20778 1 38 . 1 1 115 115 GLN N N 115 121.682 121.682 118.247 3.435 25411 20779 1 38 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.479 -0.205 25411 20780 1 38 . 1 1 115 115 GLN CA C 115 56.193 56.193 55.592 0.601 25411 20781 1 38 . 1 1 115 115 GLN CB C 115 28.807 28.807 32.312 -3.505 25411 20782 1 38 . 1 1 115 115 GLN H H 115 8.207 8.207 7.863 0.344 25411 20783 1 38 . 1 1 116 116 THR N N 116 114.715 114.715 107.738 6.977 25411 20784 1 38 . 1 1 116 116 THR HA H 116 4.225 4.225 5.111 -0.886 25411 20785 1 38 . 1 1 116 116 THR CA C 116 62.109 62.109 59.421 2.688 25411 20786 1 38 . 1 1 116 116 THR CB C 116 69.336 69.336 72.191 -2.855 25411 20787 1 38 . 1 1 116 116 THR H H 116 8.062 8.062 7.547 0.515 25411 20788 1 38 . 1 1 117 117 ASP N N 117 122.602 122.602 121.827 0.775 25411 20789 1 38 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.479 0.089 25411 20790 1 38 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.839 -2.635 25411 20791 1 38 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.873 -0.208 25411 20792 1 38 . 1 1 117 117 ASP H H 117 8.065 8.065 9.156 -1.091 25411 20793 1 38 . 1 1 118 118 LEU N N 118 122.140 122.140 117.921 4.219 25411 20794 1 38 . 1 1 118 118 LEU HA H 118 4.155 4.155 3.686 0.469 25411 20795 1 38 . 1 1 118 118 LEU CA C 118 55.423 55.423 54.839 0.584 25411 20796 1 38 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.222 0.651 25411 20797 1 38 . 1 1 118 118 LEU H H 118 8.085 8.085 7.882 0.203 25411 20798 1 38 . 1 1 119 119 GLU N N 119 119.672 119.672 114.725 4.947 25411 20799 1 38 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.929 0.139 25411 20800 1 38 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.339 -0.774 25411 20801 1 38 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.206 2.366 25411 20802 1 38 . 1 1 119 119 GLU H H 119 8.143 8.143 7.858 0.285 25411 20803 1 38 . 1 1 120 120 HIS N N 120 118.301 118.301 118.015 0.286 25411 20804 1 38 . 1 1 120 120 HIS CA C 120 55.883 55.883 59.144 -3.261 25411 20805 1 38 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.548 -0.278 25411 20806 1 38 . 1 1 120 120 HIS H H 120 8.107 8.107 8.463 -0.356 25411 20807 1 38 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.750 -0.742 25411 20808 1 38 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.584 -0.418 25411 20809 1 38 . 1 1 121 121 HIS CB C 121 28.759 28.759 30.389 -1.630 25411 20810 1 38 . 1 1 122 122 HIS N N 122 122.407 122.407 118.204 4.203 25411 20811 1 38 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.993 -0.775 25411 20812 1 38 . 1 1 122 122 HIS CA C 122 56.081 56.081 55.129 0.952 25411 20813 1 38 . 1 1 122 122 HIS CB C 122 29.371 29.371 33.128 -3.757 25411 20814 1 38 . 1 1 122 122 HIS H H 122 8.489 8.489 8.160 0.329 25411 20815 1 38 . 1 1 123 123 HIS N N 123 122.868 122.868 121.532 1.336 25411 20816 1 38 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.158 0.229 25411 20817 1 38 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.995 -0.685 25411 20818 1 38 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.058 0.444 25411 20819 1 38 . 1 1 123 123 HIS H H 123 8.596 8.596 8.510 0.086 25411 20820 1 38 . 1 1 124 124 HIS N N 124 123.734 123.734 123.098 0.636 25411 20821 1 38 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.635 -0.078 25411 20822 1 38 . 1 1 124 124 HIS CA C 124 55.385 55.385 53.950 1.435 25411 20823 1 38 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.798 0.560 25411 20824 1 38 . 1 1 124 124 HIS H H 124 8.255 8.255 7.915 0.340 25411 20825 1 39 . 1 1 3 3 GLN N N 3 122.360 122.360 120.506 1.854 25411 20826 1 39 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.430 -0.542 25411 20827 1 39 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.844 1.898 25411 20828 1 39 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.875 -0.492 25411 20829 1 39 . 1 1 3 3 GLN H H 3 9.398 9.398 8.644 0.754 25411 20830 1 39 . 1 1 4 4 GLU N N 4 119.689 119.689 120.047 -0.358 25411 20831 1 39 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.132 0.542 25411 20832 1 39 . 1 1 4 4 GLU CA C 4 57.807 57.807 58.033 -0.226 25411 20833 1 39 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.811 -0.111 25411 20834 1 39 . 1 1 4 4 GLU H H 4 7.464 7.464 8.854 -1.390 25411 20835 1 39 . 1 1 5 5 LEU N N 5 114.872 114.872 122.065 -7.193 25411 20836 1 39 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.099 -0.398 25411 20837 1 39 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.170 -0.432 25411 20838 1 39 . 1 1 5 5 LEU CB C 5 40.815 40.815 42.045 -1.230 25411 20839 1 39 . 1 1 5 5 LEU H H 5 8.206 8.206 7.722 0.484 25411 20840 1 39 . 1 1 6 6 SER N N 6 109.762 109.762 112.758 -2.996 25411 20841 1 39 . 1 1 6 6 SER HA H 6 4.092 4.092 4.133 -0.041 25411 20842 1 39 . 1 1 6 6 SER CA C 6 60.415 60.415 61.822 -1.407 25411 20843 1 39 . 1 1 6 6 SER CB C 6 63.391 63.391 62.650 0.741 25411 20844 1 39 . 1 1 6 6 SER H H 6 8.253 8.253 8.039 0.214 25411 20845 1 39 . 1 1 7 7 GLN N N 7 117.498 117.498 122.386 -4.888 25411 20846 1 39 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.217 -0.262 25411 20847 1 39 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.434 -0.009 25411 20848 1 39 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.559 0.180 25411 20849 1 39 . 1 1 7 7 GLN H H 7 8.673 8.673 7.843 0.830 25411 20850 1 39 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.368 -0.571 25411 20851 1 39 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.363 -0.308 25411 20852 1 39 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.080 -0.971 25411 20853 1 39 . 1 1 9 9 GLU N N 9 120.354 120.354 119.129 1.225 25411 20854 1 39 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.226 -0.267 25411 20855 1 39 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.116 1.142 25411 20856 1 39 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.527 -0.300 25411 20857 1 39 . 1 1 9 9 GLU H H 9 7.690 7.690 8.386 -0.696 25411 20858 1 39 . 1 1 10 10 ARG N N 10 118.753 118.753 120.001 -1.248 25411 20859 1 39 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.062 0.037 25411 20860 1 39 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.644 -1.423 25411 20861 1 39 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.365 -1.270 25411 20862 1 39 . 1 1 10 10 ARG H H 10 8.928 8.928 7.874 1.054 25411 20863 1 39 . 1 1 11 11 TYR N N 11 121.288 121.288 118.695 2.593 25411 20864 1 39 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.360 -0.171 25411 20865 1 39 . 1 1 11 11 TYR CA C 11 61.236 61.236 61.662 -0.426 25411 20866 1 39 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.570 -0.709 25411 20867 1 39 . 1 1 11 11 TYR H H 11 7.562 7.562 8.847 -1.285 25411 20868 1 39 . 1 1 12 12 VAL N N 12 119.304 119.304 120.054 -0.750 25411 20869 1 39 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.655 -0.572 25411 20870 1 39 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.360 0.475 25411 20871 1 39 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.779 -0.679 25411 20872 1 39 . 1 1 12 12 VAL H H 12 8.075 8.075 7.696 0.379 25411 20873 1 39 . 1 1 13 13 GLU N N 13 119.685 119.685 119.804 -0.119 25411 20874 1 39 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.055 0.100 25411 20875 1 39 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.132 0.293 25411 20876 1 39 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.277 -0.089 25411 20877 1 39 . 1 1 13 13 GLU H H 13 8.278 8.278 7.722 0.556 25411 20878 1 39 . 1 1 14 14 GLN N N 14 119.682 119.682 120.315 -0.633 25411 20879 1 39 . 1 1 14 14 GLN HA H 14 3.656 3.656 3.970 -0.314 25411 20880 1 39 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.551 1.418 25411 20881 1 39 . 1 1 14 14 GLN CB C 14 29.673 29.673 27.923 1.750 25411 20882 1 39 . 1 1 14 14 GLN H H 14 7.653 7.653 8.186 -0.533 25411 20883 1 39 . 1 1 15 15 LEU N N 15 121.000 121.000 118.963 2.037 25411 20884 1 39 . 1 1 15 15 LEU HA H 15 3.921 3.921 3.949 -0.028 25411 20885 1 39 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.391 1.064 25411 20886 1 39 . 1 1 15 15 LEU CB C 15 40.760 40.760 40.987 -0.227 25411 20887 1 39 . 1 1 15 15 LEU H H 15 8.402 8.402 8.553 -0.151 25411 20888 1 39 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.835 -0.139 25411 20889 1 39 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.425 -0.168 25411 20890 1 39 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.285 -0.150 25411 20891 1 39 . 1 1 17 17 GLN N N 17 117.558 117.558 118.205 -0.647 25411 20892 1 39 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.002 -0.115 25411 20893 1 39 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.953 -0.511 25411 20894 1 39 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.642 -0.597 25411 20895 1 39 . 1 1 17 17 GLN H H 17 7.849 7.849 8.225 -0.376 25411 20896 1 39 . 1 1 18 18 ALA N N 18 120.288 120.288 122.993 -2.705 25411 20897 1 39 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.122 -0.334 25411 20898 1 39 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.860 0.033 25411 20899 1 39 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.560 -1.164 25411 20900 1 39 . 1 1 18 18 ALA H H 18 8.504 8.504 8.272 0.232 25411 20901 1 39 . 1 1 19 19 LEU N N 19 116.974 116.974 118.162 -1.188 25411 20902 1 39 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.023 -0.264 25411 20903 1 39 . 1 1 19 19 LEU CA C 19 57.552 57.552 57.050 0.502 25411 20904 1 39 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.866 -1.173 25411 20905 1 39 . 1 1 19 19 LEU H H 19 8.143 8.143 8.286 -0.143 25411 20906 1 39 . 1 1 20 20 LYS N N 20 117.776 117.776 121.199 -3.423 25411 20907 1 39 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.098 -0.143 25411 20908 1 39 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.721 -0.177 25411 20909 1 39 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.514 -2.028 25411 20910 1 39 . 1 1 20 20 LYS H H 20 8.340 8.340 8.288 0.052 25411 20911 1 39 . 1 1 21 21 THR N N 21 116.373 116.373 111.700 4.673 25411 20912 1 39 . 1 1 21 21 THR HA H 21 4.107 4.107 4.209 -0.102 25411 20913 1 39 . 1 1 21 21 THR CA C 21 64.611 64.611 64.497 0.114 25411 20914 1 39 . 1 1 21 21 THR CB C 21 68.811 68.811 68.356 0.455 25411 20915 1 39 . 1 1 21 21 THR H H 21 7.302 7.302 8.023 -0.721 25411 20916 1 39 . 1 1 22 22 ARG N N 22 118.647 118.647 119.612 -0.965 25411 20917 1 39 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.474 -0.112 25411 20918 1 39 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.807 -1.742 25411 20919 1 39 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.123 -1.595 25411 20920 1 39 . 1 1 22 22 ARG H H 22 7.290 7.290 7.793 -0.503 25411 20921 1 39 . 1 1 23 23 GLY N N 23 108.637 108.637 107.638 0.999 25411 20922 1 39 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.686 0.426 25411 20923 1 39 . 1 1 23 23 GLY H H 23 7.881 7.881 7.709 0.172 25411 20924 1 39 . 1 1 24 24 VAL N N 24 117.390 117.390 123.185 -5.795 25411 20925 1 39 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.824 0.190 25411 20926 1 39 . 1 1 24 24 VAL CA C 24 61.668 61.668 63.056 -1.388 25411 20927 1 39 . 1 1 24 24 VAL CB C 24 32.372 32.372 29.130 3.242 25411 20928 1 39 . 1 1 24 24 VAL H H 24 7.333 7.333 7.530 -0.197 25411 20929 1 39 . 1 1 25 25 LYS N N 25 127.322 127.322 118.712 8.610 25411 20930 1 39 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.926 0.406 25411 20931 1 39 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.453 -1.691 25411 20932 1 39 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.650 0.111 25411 20933 1 39 . 1 1 25 25 LYS H H 25 8.722 8.722 8.265 0.457 25411 20934 1 39 . 1 1 26 26 VAL N N 26 120.568 120.568 120.388 0.180 25411 20935 1 39 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.292 -0.214 25411 20936 1 39 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.362 -0.697 25411 20937 1 39 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.039 0.608 25411 20938 1 39 . 1 1 26 26 VAL H H 26 7.119 7.119 8.321 -1.202 25411 20939 1 39 . 1 1 27 27 LYS N N 27 125.675 125.675 126.065 -0.390 25411 20940 1 39 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.395 -0.069 25411 20941 1 39 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.008 0.403 25411 20942 1 39 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.252 -2.292 25411 20943 1 39 . 1 1 27 27 LYS H H 27 8.570 8.570 7.866 0.704 25411 20944 1 39 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.525 -0.508 25411 20945 1 39 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.646 -2.234 25411 20946 1 39 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.941 1.899 25411 20947 1 39 . 1 1 29 29 ALA N N 29 120.743 120.743 128.583 -7.840 25411 20948 1 39 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.230 -0.562 25411 20949 1 39 . 1 1 29 29 ALA CA C 29 54.678 54.678 55.173 -0.495 25411 20950 1 39 . 1 1 29 29 ALA CB C 29 18.000 18.000 19.194 -1.194 25411 20951 1 39 . 1 1 29 29 ALA H H 29 8.323 8.323 8.853 -0.530 25411 20952 1 39 . 1 1 30 30 ASP N N 30 117.202 117.202 118.477 -1.275 25411 20953 1 39 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.372 -0.091 25411 20954 1 39 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.338 0.215 25411 20955 1 39 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.786 0.021 25411 20956 1 39 . 1 1 30 30 ASP H H 30 6.872 6.872 8.729 -1.857 25411 20957 1 39 . 1 1 31 31 LEU N N 31 122.273 122.273 118.405 3.868 25411 20958 1 39 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.313 -0.767 25411 20959 1 39 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.612 0.113 25411 20960 1 39 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.198 -1.540 25411 20961 1 39 . 1 1 31 31 LEU H H 31 7.433 7.433 7.670 -0.237 25411 20962 1 39 . 1 1 32 32 LEU N N 32 123.376 123.376 119.344 4.032 25411 20963 1 39 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.263 -0.648 25411 20964 1 39 . 1 1 32 32 LEU CA C 32 58.096 58.096 57.495 0.601 25411 20965 1 39 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.959 -1.417 25411 20966 1 39 . 1 1 32 32 LEU H H 32 8.727 8.727 7.943 0.784 25411 20967 1 39 . 1 1 33 33 LYS N N 33 118.078 118.078 120.303 -2.225 25411 20968 1 39 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.315 -0.102 25411 20969 1 39 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.428 -0.330 25411 20970 1 39 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.048 -0.158 25411 20971 1 39 . 1 1 33 33 LYS H H 33 7.149 7.149 7.554 -0.405 25411 20972 1 39 . 1 1 34 34 PHE N N 34 117.398 117.398 121.078 -3.680 25411 20973 1 39 . 1 1 34 34 PHE CA C 34 56.695 56.695 62.009 -5.314 25411 20974 1 39 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.158 2.061 25411 20975 1 39 . 1 1 34 34 PHE H H 34 7.633 7.633 8.517 -0.884 25411 20976 1 39 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.114 -0.321 25411 20977 1 39 . 1 1 35 35 PHE CA C 35 61.592 61.592 62.090 -0.498 25411 20978 1 39 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.288 -2.274 25411 20979 1 39 . 1 1 36 36 ASP N N 36 120.136 120.136 119.942 0.194 25411 20980 1 39 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.453 -0.357 25411 20981 1 39 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.739 -0.798 25411 20982 1 39 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.616 -1.512 25411 20983 1 39 . 1 1 36 36 ASP H H 36 8.330 8.330 8.761 -0.431 25411 20984 1 39 . 1 1 37 37 PHE N N 37 121.883 121.883 120.639 1.244 25411 20985 1 39 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.405 -0.147 25411 20986 1 39 . 1 1 37 37 PHE CA C 37 59.698 59.698 60.931 -1.233 25411 20987 1 39 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.371 0.814 25411 20988 1 39 . 1 1 37 37 PHE H H 37 7.794 7.794 8.509 -0.715 25411 20989 1 39 . 1 1 38 38 VAL N N 38 118.525 118.525 119.362 -0.837 25411 20990 1 39 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.530 -0.491 25411 20991 1 39 . 1 1 38 38 VAL CA C 38 66.882 66.882 65.929 0.953 25411 20992 1 39 . 1 1 38 38 VAL CB C 38 30.688 30.688 30.968 -0.280 25411 20993 1 39 . 1 1 38 38 VAL H H 38 8.262 8.262 7.999 0.263 25411 20994 1 39 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.912 -0.456 25411 20995 1 39 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.189 -0.135 25411 20996 1 39 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.875 -0.179 25411 20997 1 39 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.511 -0.066 25411 20998 1 39 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.236 0.749 25411 20999 1 39 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.660 -0.968 25411 21000 1 39 . 1 1 41 41 ILE N N 41 120.641 120.641 112.734 7.907 25411 21001 1 39 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.311 -0.286 25411 21002 1 39 . 1 1 41 41 ILE CA C 41 61.652 61.652 62.445 -0.793 25411 21003 1 39 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.853 -0.789 25411 21004 1 39 . 1 1 41 41 ILE H H 41 8.788 8.788 7.900 0.888 25411 21005 1 39 . 1 1 42 42 CYS N N 42 117.896 117.896 116.998 0.898 25411 21006 1 39 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.430 0.742 25411 21007 1 39 . 1 1 42 42 CYS CB C 42 28.324 28.324 28.444 -0.120 25411 21008 1 39 . 1 1 42 42 CYS H H 42 7.180 7.180 7.592 -0.412 25411 21009 1 39 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.113 0.202 25411 21010 1 39 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.413 0.590 25411 21011 1 39 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.163 -0.448 25411 21012 1 39 . 1 1 44 44 TRP N N 44 113.823 113.823 116.526 -2.703 25411 21013 1 39 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.337 -0.032 25411 21014 1 39 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.518 -2.120 25411 21015 1 39 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.108 -1.297 25411 21016 1 39 . 1 1 44 44 TRP H H 44 6.591 6.591 7.619 -1.028 25411 21017 1 39 . 1 1 45 45 PHE N N 45 123.100 123.100 115.902 7.198 25411 21018 1 39 . 1 1 45 45 PHE HA H 45 4.001 4.001 5.018 -1.017 25411 21019 1 39 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.358 8.451 25411 21020 1 39 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.165 -3.230 25411 21021 1 39 . 1 1 45 45 PHE H H 45 7.239 7.239 7.438 -0.199 25411 21022 1 39 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.288 -0.276 25411 21023 1 39 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.863 -0.332 25411 21024 1 39 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.799 -1.312 25411 21025 1 39 . 1 1 47 47 GLN N N 47 114.502 114.502 117.422 -2.920 25411 21026 1 39 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.110 -0.173 25411 21027 1 39 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.308 0.096 25411 21028 1 39 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.234 1.086 25411 21029 1 39 . 1 1 47 47 GLN H H 47 6.518 6.518 8.727 -2.209 25411 21030 1 39 . 1 1 48 48 GLU N N 48 117.358 117.358 118.220 -0.862 25411 21031 1 39 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.264 -0.226 25411 21032 1 39 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.514 1.658 25411 21033 1 39 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.389 -1.435 25411 21034 1 39 . 1 1 48 48 GLU H H 48 7.318 7.318 8.086 -0.768 25411 21035 1 39 . 1 1 49 49 GLY N N 49 105.534 105.534 108.182 -2.648 25411 21036 1 39 . 1 1 49 49 GLY CA C 49 47.303 47.303 46.038 1.266 25411 21037 1 39 . 1 1 49 49 GLY H H 49 7.296 7.296 7.788 -0.492 25411 21038 1 39 . 1 1 50 50 THR N N 50 114.069 114.069 113.190 0.879 25411 21039 1 39 . 1 1 50 50 THR HA H 50 4.234 4.234 4.282 -0.048 25411 21040 1 39 . 1 1 50 50 THR CA C 50 61.683 61.683 60.795 0.888 25411 21041 1 39 . 1 1 50 50 THR CB C 50 70.718 70.718 70.878 -0.160 25411 21042 1 39 . 1 1 50 50 THR H H 50 7.597 7.597 7.288 0.309 25411 21043 1 39 . 1 1 51 51 ILE HA H 51 4.125 4.125 3.994 0.131 25411 21044 1 39 . 1 1 51 51 ILE CA C 51 59.870 59.870 62.035 -2.165 25411 21045 1 39 . 1 1 51 51 ILE CB C 51 35.288 35.288 38.475 -3.187 25411 21046 1 39 . 1 1 52 52 ASP N N 52 121.791 121.791 127.963 -6.172 25411 21047 1 39 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.792 -0.169 25411 21048 1 39 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.882 -1.150 25411 21049 1 39 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.487 -2.026 25411 21050 1 39 . 1 1 52 52 ASP H H 52 7.168 7.168 8.095 -0.927 25411 21051 1 39 . 1 1 53 53 ILE N N 53 119.537 119.537 119.800 -0.263 25411 21052 1 39 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.404 -0.269 25411 21053 1 39 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.082 -0.286 25411 21054 1 39 . 1 1 53 53 ILE CB C 53 37.815 37.815 40.182 -2.367 25411 21055 1 39 . 1 1 53 53 ILE H H 53 8.336 8.336 8.232 0.104 25411 21056 1 39 . 1 1 54 54 LYS N N 54 123.592 123.592 121.905 1.687 25411 21057 1 39 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.264 -0.159 25411 21058 1 39 . 1 1 54 54 LYS CA C 54 59.972 59.972 59.365 0.607 25411 21059 1 39 . 1 1 54 54 LYS CB C 54 31.748 31.748 31.728 0.020 25411 21060 1 39 . 1 1 54 54 LYS H H 54 8.104 8.104 8.192 -0.088 25411 21061 1 39 . 1 1 55 55 ARG N N 55 120.511 120.511 119.437 1.074 25411 21062 1 39 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.194 0.107 25411 21063 1 39 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.428 0.475 25411 21064 1 39 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.360 -0.304 25411 21065 1 39 . 1 1 55 55 ARG H H 55 9.196 9.196 8.736 0.460 25411 21066 1 39 . 1 1 56 56 TRP N N 56 120.681 120.681 121.519 -0.838 25411 21067 1 39 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.544 0.159 25411 21068 1 39 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.896 -1.490 25411 21069 1 39 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.203 0.811 25411 21070 1 39 . 1 1 56 56 TRP H H 56 8.899 8.899 8.030 0.869 25411 21071 1 39 . 1 1 57 57 ARG N N 57 122.115 122.115 119.500 2.615 25411 21072 1 39 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.730 0.677 25411 21073 1 39 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.798 0.229 25411 21074 1 39 . 1 1 57 57 ARG CB C 57 29.786 29.786 30.171 -0.385 25411 21075 1 39 . 1 1 57 57 ARG H H 57 9.210 9.210 8.459 0.751 25411 21076 1 39 . 1 1 58 58 ARG N N 58 120.918 120.918 119.995 0.923 25411 21077 1 39 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.402 0.443 25411 21078 1 39 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.161 -0.432 25411 21079 1 39 . 1 1 58 58 ARG H H 58 7.640 7.640 7.770 -0.130 25411 21080 1 39 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.709 0.055 25411 21081 1 39 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.711 0.289 25411 21082 1 39 . 1 1 59 59 VAL CB C 59 30.832 30.832 30.983 -0.151 25411 21083 1 39 . 1 1 59 59 VAL H H 59 7.916 7.916 7.641 0.275 25411 21084 1 39 . 1 1 60 60 GLY N N 60 106.856 106.856 107.057 -0.201 25411 21085 1 39 . 1 1 60 60 GLY CA C 60 46.081 46.081 46.885 -0.804 25411 21086 1 39 . 1 1 60 60 GLY H H 60 7.623 7.623 8.221 -0.598 25411 21087 1 39 . 1 1 61 61 ASP N N 61 123.308 123.308 123.809 -0.501 25411 21088 1 39 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.472 -0.247 25411 21089 1 39 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.227 -0.427 25411 21090 1 39 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.764 -1.280 25411 21091 1 39 . 1 1 61 61 ASP H H 61 8.203 8.203 8.231 -0.028 25411 21092 1 39 . 1 1 62 62 CYS N N 62 120.841 120.841 118.544 2.297 25411 21093 1 39 . 1 1 62 62 CYS HA H 62 4.238 4.238 3.993 0.245 25411 21094 1 39 . 1 1 62 62 CYS CA C 62 62.950 62.950 63.775 -0.825 25411 21095 1 39 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.766 -0.263 25411 21096 1 39 . 1 1 62 62 CYS H H 62 7.795 7.795 7.630 0.165 25411 21097 1 39 . 1 1 63 63 PHE N N 63 119.763 119.763 118.318 1.445 25411 21098 1 39 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.304 -0.026 25411 21099 1 39 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.595 -2.938 25411 21100 1 39 . 1 1 63 63 PHE CB C 63 36.990 36.990 38.014 -1.024 25411 21101 1 39 . 1 1 63 63 PHE H H 63 8.647 8.647 7.683 0.964 25411 21102 1 39 . 1 1 64 64 GLN N N 64 118.578 118.578 120.371 -1.793 25411 21103 1 39 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.115 0.193 25411 21104 1 39 . 1 1 64 64 GLN CA C 64 59.333 59.333 59.167 0.166 25411 21105 1 39 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.613 -0.034 25411 21106 1 39 . 1 1 64 64 GLN H H 64 8.261 8.261 8.483 -0.222 25411 21107 1 39 . 1 1 65 65 ASP N N 65 119.534 119.534 121.570 -2.036 25411 21108 1 39 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.357 0.127 25411 21109 1 39 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.320 0.009 25411 21110 1 39 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.880 -1.209 25411 21111 1 39 . 1 1 65 65 ASP H H 65 8.338 8.338 8.421 -0.083 25411 21112 1 39 . 1 1 66 66 TYR N N 66 123.600 123.600 121.880 1.720 25411 21113 1 39 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.922 0.580 25411 21114 1 39 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.083 -0.852 25411 21115 1 39 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.521 -0.088 25411 21116 1 39 . 1 1 66 66 TYR H H 66 7.804 7.804 8.332 -0.528 25411 21117 1 39 . 1 1 67 67 TYR N N 67 122.825 122.825 118.162 4.663 25411 21118 1 39 . 1 1 67 67 TYR HA H 67 3.997 3.997 4.239 -0.242 25411 21119 1 39 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.703 0.200 25411 21120 1 39 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.626 0.320 25411 21121 1 39 . 1 1 67 67 TYR H H 67 9.100 9.100 8.281 0.819 25411 21122 1 39 . 1 1 68 68 ASN N N 68 118.826 118.826 117.613 1.213 25411 21123 1 39 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.351 -0.068 25411 21124 1 39 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.910 -0.478 25411 21125 1 39 . 1 1 68 68 ASN CB C 68 37.876 37.876 37.805 0.071 25411 21126 1 39 . 1 1 68 68 ASN H H 68 8.853 8.853 8.638 0.215 25411 21127 1 39 . 1 1 69 69 THR N N 69 114.242 114.242 115.531 -1.289 25411 21128 1 39 . 1 1 69 69 THR HA H 69 3.837 3.837 4.043 -0.206 25411 21129 1 39 . 1 1 69 69 THR CA C 69 65.328 65.328 65.305 0.023 25411 21130 1 39 . 1 1 69 69 THR CB C 69 69.249 69.249 68.125 1.124 25411 21131 1 39 . 1 1 69 69 THR H H 69 7.847 7.847 8.107 -0.260 25411 21132 1 39 . 1 1 70 70 PHE N N 70 117.970 117.970 118.136 -0.166 25411 21133 1 39 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.403 0.161 25411 21134 1 39 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.948 0.294 25411 21135 1 39 . 1 1 70 70 PHE CB C 70 41.074 41.074 38.457 2.617 25411 21136 1 39 . 1 1 70 70 PHE H H 70 8.489 8.489 7.145 1.344 25411 21137 1 39 . 1 1 71 71 GLY N N 71 109.516 109.516 108.376 1.140 25411 21138 1 39 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.778 0.254 25411 21139 1 39 . 1 1 71 71 GLY H H 71 7.968 7.968 7.511 0.457 25411 21140 1 39 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.381 0.330 25411 21141 1 39 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.238 1.059 25411 21142 1 39 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.370 0.374 25411 21143 1 39 . 1 1 73 73 GLU N N 73 117.720 117.720 126.725 -9.005 25411 21144 1 39 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.045 -0.146 25411 21145 1 39 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.663 0.073 25411 21146 1 39 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.550 -0.687 25411 21147 1 39 . 1 1 73 73 GLU H H 73 8.586 8.586 8.511 0.075 25411 21148 1 39 . 1 1 74 74 LYS N N 74 116.974 116.974 118.870 -1.896 25411 21149 1 39 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.393 -0.004 25411 21150 1 39 . 1 1 74 74 LYS CA C 74 55.185 55.185 54.800 0.385 25411 21151 1 39 . 1 1 74 74 LYS CB C 74 34.087 34.087 30.889 3.198 25411 21152 1 39 . 1 1 74 74 LYS H H 74 7.505 7.505 8.171 -0.666 25411 21153 1 39 . 1 1 75 75 VAL N N 75 117.309 117.309 123.346 -6.037 25411 21154 1 39 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.209 0.104 25411 21155 1 39 . 1 1 75 75 VAL CA C 75 62.045 62.045 61.286 0.759 25411 21156 1 39 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.318 -0.334 25411 21157 1 39 . 1 1 75 75 VAL H H 75 7.402 7.402 7.389 0.013 25411 21158 1 39 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.561 0.001 25411 21159 1 39 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.709 -1.022 25411 21160 1 39 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.549 -0.818 25411 21161 1 39 . 1 1 77 77 VAL N N 77 120.870 120.870 121.728 -0.858 25411 21162 1 39 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.201 -0.373 25411 21163 1 39 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.248 1.590 25411 21164 1 39 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.780 -0.393 25411 21165 1 39 . 1 1 77 77 VAL H H 77 8.473 8.473 8.841 -0.368 25411 21166 1 39 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.882 -0.030 25411 21167 1 39 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.108 -2.983 25411 21168 1 39 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.960 0.175 25411 21169 1 39 . 1 1 78 78 ILE H H 78 8.388 8.388 8.030 0.358 25411 21170 1 39 . 1 1 79 79 ALA N N 79 123.960 123.960 123.845 0.115 25411 21171 1 39 . 1 1 79 79 ALA HA H 79 3.890 3.890 3.983 -0.093 25411 21172 1 39 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.651 0.238 25411 21173 1 39 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.193 -0.570 25411 21174 1 39 . 1 1 79 79 ALA H H 79 7.953 7.953 8.080 -0.127 25411 21175 1 39 . 1 1 80 80 PHE N N 80 114.330 114.330 115.880 -1.550 25411 21176 1 39 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.572 -0.141 25411 21177 1 39 . 1 1 80 80 PHE CA C 80 61.312 61.312 60.016 1.296 25411 21178 1 39 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.301 -1.645 25411 21179 1 39 . 1 1 80 80 PHE H H 80 7.499 7.499 8.416 -0.917 25411 21180 1 39 . 1 1 81 81 SER N N 81 115.971 115.971 114.515 1.456 25411 21181 1 39 . 1 1 81 81 SER HA H 81 4.206 4.206 4.395 -0.189 25411 21182 1 39 . 1 1 81 81 SER CA C 81 58.432 58.432 59.574 -1.142 25411 21183 1 39 . 1 1 81 81 SER CB C 81 63.575 63.575 63.385 0.190 25411 21184 1 39 . 1 1 81 81 SER H H 81 8.225 8.225 7.682 0.543 25411 21185 1 39 . 1 1 82 82 TYR N N 82 121.997 121.997 123.418 -1.421 25411 21186 1 39 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.378 0.069 25411 21187 1 39 . 1 1 82 82 TYR CA C 82 55.885 55.885 60.527 -4.642 25411 21188 1 39 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.789 -0.951 25411 21189 1 39 . 1 1 82 82 TYR H H 82 8.378 8.378 7.674 0.704 25411 21190 1 39 . 1 1 83 83 TRP N N 83 120.268 120.268 121.389 -1.121 25411 21191 1 39 . 1 1 83 83 TRP CA C 83 57.393 57.393 62.266 -4.873 25411 21192 1 39 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.886 -0.992 25411 21193 1 39 . 1 1 83 83 TRP H H 83 8.546 8.546 9.317 -0.771 25411 21194 1 39 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.308 -0.088 25411 21195 1 39 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.368 0.261 25411 21196 1 39 . 1 1 84 84 ASN CB C 84 39.065 39.065 38.017 1.048 25411 21197 1 39 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.035 0.011 25411 21198 1 39 . 1 1 85 85 LEU CA C 85 58.142 58.142 56.928 1.214 25411 21199 1 39 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.854 -0.162 25411 21200 1 39 . 1 1 86 86 ILE N N 86 117.000 117.000 120.162 -3.162 25411 21201 1 39 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.394 0.052 25411 21202 1 39 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.538 -2.255 25411 21203 1 39 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.839 -1.427 25411 21204 1 39 . 1 1 86 86 ILE H H 86 7.882 7.882 7.549 0.333 25411 21205 1 39 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.662 -0.436 25411 21206 1 39 . 1 1 87 87 LYS CA C 87 59.996 59.996 58.886 1.110 25411 21207 1 39 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.440 -0.390 25411 21208 1 39 . 1 1 88 88 GLU N N 88 116.404 116.404 117.702 -1.298 25411 21209 1 39 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.279 -0.432 25411 21210 1 39 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.337 0.574 25411 21211 1 39 . 1 1 88 88 GLU CB C 88 28.969 28.969 28.912 0.057 25411 21212 1 39 . 1 1 88 88 GLU H H 88 7.689 7.689 7.596 0.093 25411 21213 1 39 . 1 1 89 89 LEU N N 89 118.193 118.193 120.907 -2.714 25411 21214 1 39 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.171 -0.282 25411 21215 1 39 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.584 1.379 25411 21216 1 39 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.003 -0.703 25411 21217 1 39 . 1 1 89 89 LEU H H 89 7.415 7.415 7.637 -0.222 25411 21218 1 39 . 1 1 90 90 ILE N N 90 115.471 115.471 120.609 -5.138 25411 21219 1 39 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.631 -0.213 25411 21220 1 39 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.208 0.700 25411 21221 1 39 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.618 -0.024 25411 21222 1 39 . 1 1 90 90 ILE H H 90 7.718 7.718 7.600 0.118 25411 21223 1 39 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.442 -0.722 25411 21224 1 39 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.454 1.210 25411 21225 1 39 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.011 0.521 25411 21226 1 39 . 1 1 92 92 LYS N N 92 119.253 119.253 117.704 1.549 25411 21227 1 39 . 1 1 92 92 LYS CA C 92 58.897 58.897 55.327 3.571 25411 21228 1 39 . 1 1 92 92 LYS CB C 92 31.988 31.988 31.366 0.622 25411 21229 1 39 . 1 1 92 92 LYS H H 92 7.869 7.869 7.486 0.383 25411 21230 1 39 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.899 0.632 25411 21231 1 39 . 1 1 93 93 LYS CA C 93 55.258 55.258 59.855 -4.597 25411 21232 1 39 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.094 0.075 25411 21233 1 39 . 1 1 94 94 GLU N N 94 116.729 116.729 119.038 -2.309 25411 21234 1 39 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.096 0.037 25411 21235 1 39 . 1 1 94 94 GLU CA C 94 59.319 59.319 58.461 0.859 25411 21236 1 39 . 1 1 94 94 GLU CB C 94 27.375 27.375 28.814 -1.439 25411 21237 1 39 . 1 1 94 94 GLU H H 94 8.393 8.393 8.346 0.047 25411 21238 1 39 . 1 1 95 95 VAL N N 95 121.696 121.696 116.795 4.901 25411 21239 1 39 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.800 0.682 25411 21240 1 39 . 1 1 95 95 VAL CA C 95 66.721 66.721 64.353 2.368 25411 21241 1 39 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.292 1.602 25411 21242 1 39 . 1 1 95 95 VAL H H 95 7.923 7.923 7.861 0.062 25411 21243 1 39 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.278 0.080 25411 21244 1 39 . 1 1 97 97 PRO CA C 97 62.607 62.607 63.888 -1.281 25411 21245 1 39 . 1 1 97 97 PRO CB C 97 31.874 31.874 31.555 0.319 25411 21246 1 39 . 1 1 98 98 GLN N N 98 117.731 117.731 119.932 -2.201 25411 21247 1 39 . 1 1 98 98 GLN HA H 98 3.925 3.925 3.984 -0.059 25411 21248 1 39 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.710 -0.102 25411 21249 1 39 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.557 0.964 25411 21250 1 39 . 1 1 98 98 GLN H H 98 8.359 8.359 8.587 -0.228 25411 21251 1 39 . 1 1 99 99 VAL N N 99 121.326 121.326 118.919 2.407 25411 21252 1 39 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.737 -0.317 25411 21253 1 39 . 1 1 99 99 VAL CA C 99 66.404 66.404 66.212 0.192 25411 21254 1 39 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.523 0.095 25411 21255 1 39 . 1 1 99 99 VAL H H 99 7.901 7.901 7.419 0.482 25411 21256 1 39 . 1 1 100 100 MET N N 100 120.447 120.447 114.961 5.486 25411 21257 1 39 . 1 1 100 100 MET HA H 100 3.812 3.812 4.438 -0.626 25411 21258 1 39 . 1 1 100 100 MET CA C 100 59.297 59.297 56.157 3.140 25411 21259 1 39 . 1 1 100 100 MET CB C 100 32.099 32.099 32.367 -0.268 25411 21260 1 39 . 1 1 100 100 MET H H 100 7.509 7.509 8.154 -0.645 25411 21261 1 39 . 1 1 101 101 ALA N N 101 119.458 119.458 121.385 -1.927 25411 21262 1 39 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.216 -0.006 25411 21263 1 39 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.406 0.346 25411 21264 1 39 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.802 -1.281 25411 21265 1 39 . 1 1 101 101 ALA H H 101 7.889 7.889 7.549 0.340 25411 21266 1 39 . 1 1 102 102 ALA N N 102 119.627 119.627 121.308 -1.681 25411 21267 1 39 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.009 -0.016 25411 21268 1 39 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.687 0.201 25411 21269 1 39 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.030 -0.686 25411 21270 1 39 . 1 1 102 102 ALA H H 102 7.563 7.563 8.406 -0.843 25411 21271 1 39 . 1 1 103 103 VAL N N 103 122.690 122.690 118.703 3.987 25411 21272 1 39 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.845 0.228 25411 21273 1 39 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.523 -3.838 25411 21274 1 39 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.068 2.154 25411 21275 1 39 . 1 1 103 103 VAL H H 103 8.828 8.828 7.896 0.932 25411 21276 1 39 . 1 1 104 104 ALA N N 104 128.041 128.041 120.212 7.829 25411 21277 1 39 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.176 0.093 25411 21278 1 39 . 1 1 104 104 ALA CA C 104 52.141 52.141 53.682 -1.541 25411 21279 1 39 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.020 0.920 25411 21280 1 39 . 1 1 104 104 ALA H H 104 8.367 8.367 7.642 0.725 25411 21281 1 39 . 1 1 105 105 GLN N N 105 120.265 120.265 115.586 4.679 25411 21282 1 39 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.515 0.416 25411 21283 1 39 . 1 1 105 105 GLN CB C 105 29.020 29.020 31.112 -2.092 25411 21284 1 39 . 1 1 105 105 GLN H H 105 8.356 8.356 7.911 0.445 25411 21285 1 39 . 1 1 106 106 THR HA H 106 4.320 4.320 3.841 0.479 25411 21286 1 39 . 1 1 106 106 THR CA C 106 61.346 61.346 64.418 -3.072 25411 21287 1 39 . 1 1 106 106 THR CB C 106 69.293 69.293 69.099 0.194 25411 21288 1 39 . 1 1 107 107 GLU N N 107 122.706 122.706 118.362 4.344 25411 21289 1 39 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.543 -0.361 25411 21290 1 39 . 1 1 107 107 GLU CA C 107 56.576 56.576 56.770 -0.194 25411 21291 1 39 . 1 1 107 107 GLU CB C 107 29.936 29.936 32.676 -2.740 25411 21292 1 39 . 1 1 107 107 GLU H H 107 8.404 8.404 7.663 0.741 25411 21293 1 39 . 1 1 108 108 GLU N N 108 122.034 122.034 117.367 4.667 25411 21294 1 39 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.008 0.153 25411 21295 1 39 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.420 -0.771 25411 21296 1 39 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.531 0.145 25411 21297 1 39 . 1 1 108 108 GLU H H 108 7.341 7.341 7.807 -0.466 25411 21298 1 39 . 1 1 109 109 ILE N N 109 122.151 122.151 113.322 8.829 25411 21299 1 39 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.302 -0.255 25411 21300 1 39 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.453 -0.888 25411 21301 1 39 . 1 1 109 109 ILE CB C 109 38.104 38.104 38.164 -0.060 25411 21302 1 39 . 1 1 109 109 ILE H H 109 8.058 8.058 8.253 -0.195 25411 21303 1 39 . 1 1 110 110 LEU N N 110 122.427 122.427 122.902 -0.475 25411 21304 1 39 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.110 0.166 25411 21305 1 39 . 1 1 110 110 LEU CA C 110 55.151 55.151 57.025 -1.874 25411 21306 1 39 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.978 -8.723 25411 21307 1 39 . 1 1 110 110 LEU H H 110 8.194 8.194 8.074 0.120 25411 21308 1 39 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.168 0.079 25411 21309 1 39 . 1 1 111 111 LYS CA C 111 56.137 56.137 58.246 -2.109 25411 21310 1 39 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.213 0.356 25411 21311 1 39 . 1 1 112 112 SER N N 112 116.453 116.453 112.852 3.601 25411 21312 1 39 . 1 1 112 112 SER HA H 112 4.175 4.175 4.188 -0.013 25411 21313 1 39 . 1 1 112 112 SER CA C 112 58.311 58.311 59.784 -1.473 25411 21314 1 39 . 1 1 112 112 SER CB C 112 63.441 63.441 62.505 0.936 25411 21315 1 39 . 1 1 112 112 SER H H 112 8.204 8.204 8.035 0.169 25411 21316 1 39 . 1 1 113 113 ASN N N 113 119.747 119.747 114.334 5.413 25411 21317 1 39 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.766 -0.122 25411 21318 1 39 . 1 1 113 113 ASN CA C 113 53.645 53.645 51.780 1.865 25411 21319 1 39 . 1 1 113 113 ASN CB C 113 38.646 38.646 39.889 -1.243 25411 21320 1 39 . 1 1 113 113 ASN H H 113 7.944 7.944 7.720 0.224 25411 21321 1 39 . 1 1 114 114 SER N N 114 115.433 115.433 114.154 1.279 25411 21322 1 39 . 1 1 114 114 SER HA H 114 4.336 4.336 4.270 0.066 25411 21323 1 39 . 1 1 114 114 SER CA C 114 58.711 58.711 60.230 -1.519 25411 21324 1 39 . 1 1 114 114 SER CB C 114 63.308 63.308 63.511 -0.203 25411 21325 1 39 . 1 1 114 114 SER H H 114 7.962 7.962 8.446 -0.484 25411 21326 1 39 . 1 1 115 115 GLN N N 115 121.682 121.682 121.010 0.672 25411 21327 1 39 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.345 -0.071 25411 21328 1 39 . 1 1 115 115 GLN CA C 115 56.193 56.193 57.301 -1.108 25411 21329 1 39 . 1 1 115 115 GLN CB C 115 28.807 28.807 30.129 -1.322 25411 21330 1 39 . 1 1 115 115 GLN H H 115 8.207 8.207 8.573 -0.366 25411 21331 1 39 . 1 1 116 116 THR N N 116 114.715 114.715 104.875 9.840 25411 21332 1 39 . 1 1 116 116 THR HA H 116 4.225 4.225 4.774 -0.549 25411 21333 1 39 . 1 1 116 116 THR CA C 116 62.109 62.109 59.035 3.074 25411 21334 1 39 . 1 1 116 116 THR CB C 116 69.336 69.336 72.275 -2.938 25411 21335 1 39 . 1 1 116 116 THR H H 116 8.062 8.062 7.547 0.515 25411 21336 1 39 . 1 1 117 117 ASP N N 117 122.602 122.602 119.277 3.325 25411 21337 1 39 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.436 0.132 25411 21338 1 39 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.039 -1.835 25411 21339 1 39 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.365 0.300 25411 21340 1 39 . 1 1 117 117 ASP H H 117 8.065 8.065 8.812 -0.747 25411 21341 1 39 . 1 1 118 118 LEU N N 118 122.140 122.140 121.867 0.273 25411 21342 1 39 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.127 0.028 25411 21343 1 39 . 1 1 118 118 LEU CA C 118 55.423 55.423 53.871 1.552 25411 21344 1 39 . 1 1 118 118 LEU CB C 118 41.873 41.873 39.546 2.327 25411 21345 1 39 . 1 1 118 118 LEU H H 118 8.085 8.085 7.361 0.724 25411 21346 1 39 . 1 1 119 119 GLU N N 119 119.672 119.672 122.490 -2.818 25411 21347 1 39 . 1 1 119 119 GLU HA H 119 4.068 4.068 4.152 -0.084 25411 21348 1 39 . 1 1 119 119 GLU CA C 119 56.565 56.565 56.191 0.374 25411 21349 1 39 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.746 1.826 25411 21350 1 39 . 1 1 119 119 GLU H H 119 8.143 8.143 8.393 -0.250 25411 21351 1 39 . 1 1 120 120 HIS N N 120 118.301 118.301 118.618 -0.317 25411 21352 1 39 . 1 1 120 120 HIS CA C 120 55.883 55.883 58.813 -2.930 25411 21353 1 39 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.741 -0.471 25411 21354 1 39 . 1 1 120 120 HIS H H 120 8.107 8.107 8.050 0.057 25411 21355 1 39 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.822 -0.814 25411 21356 1 39 . 1 1 121 121 HIS CA C 121 55.166 55.166 55.566 -0.399 25411 21357 1 39 . 1 1 121 121 HIS CB C 121 28.759 28.759 30.595 -1.836 25411 21358 1 39 . 1 1 122 122 HIS N N 122 122.407 122.407 117.855 4.552 25411 21359 1 39 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.793 -0.575 25411 21360 1 39 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.711 1.370 25411 21361 1 39 . 1 1 122 122 HIS CB C 122 29.371 29.371 33.839 -4.468 25411 21362 1 39 . 1 1 122 122 HIS H H 122 8.489 8.489 7.627 0.862 25411 21363 1 39 . 1 1 123 123 HIS N N 123 122.868 122.868 118.372 4.496 25411 21364 1 39 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.199 0.188 25411 21365 1 39 . 1 1 123 123 HIS CA C 123 56.310 56.310 57.135 -0.825 25411 21366 1 39 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.511 -0.009 25411 21367 1 39 . 1 1 123 123 HIS H H 123 8.596 8.596 8.098 0.498 25411 21368 1 39 . 1 1 124 124 HIS N N 124 123.734 123.734 120.915 2.819 25411 21369 1 39 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.742 -0.185 25411 21370 1 39 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.372 1.013 25411 21371 1 39 . 1 1 124 124 HIS CB C 124 29.358 29.358 29.333 0.025 25411 21372 1 39 . 1 1 124 124 HIS H H 124 8.255 8.255 8.123 0.132 25411 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 99 3.243 -0.289 3.247 25411 2 1 1 "Average Difference" HA 114 0.355 0.084 0.347 25411 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25411 4 1 1 "Average Difference" CA 121 1.581 0.148 1.581 25411 5 1 1 "Average Difference" CB 117 1.459 0.365 1.418 25411 6 1 1 "Average Difference" HN 101 0.659 -0.003 0.662 25411 7 1 2 "Average Difference" N 99 3.339 -0.423 3.329 25411 8 1 2 "Average Difference" HA 114 0.356 0.108 0.341 25411 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25411 10 1 2 "Average Difference" CA 121 1.588 0.151 1.587 25411 11 1 2 "Average Difference" CB 117 1.549 0.484 1.478 25411 12 1 2 "Average Difference" HN 101 0.628 0.036 0.630 25411 13 1 3 "Average Difference" N 99 3.529 -0.465 3.516 25411 14 1 3 "Average Difference" HA 114 0.317 0.101 0.302 25411 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25411 16 1 3 "Average Difference" CA 121 1.708 0.233 1.699 25411 17 1 3 "Average Difference" CB 117 1.479 0.374 1.437 25411 18 1 3 "Average Difference" HN 101 0.648 0.041 0.650 25411 19 1 4 "Average Difference" N 99 3.450 -0.315 3.453 25411 20 1 4 "Average Difference" HA 114 0.332 0.110 0.315 25411 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25411 22 1 4 "Average Difference" CA 121 1.711 0.260 1.698 25411 23 1 4 "Average Difference" CB 117 1.521 0.396 1.475 25411 24 1 4 "Average Difference" HN 101 0.650 0.031 0.653 25411 25 1 5 "Average Difference" N 99 3.495 -0.415 3.488 25411 26 1 5 "Average Difference" HA 114 0.344 0.104 0.329 25411 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25411 28 1 5 "Average Difference" CA 121 1.644 0.235 1.634 25411 29 1 5 "Average Difference" CB 117 1.407 0.374 1.362 25411 30 1 5 "Average Difference" HN 101 0.635 0.010 0.638 25411 31 1 6 "Average Difference" N 99 3.263 -0.530 3.236 25411 32 1 6 "Average Difference" HA 114 0.336 0.123 0.314 25411 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25411 34 1 6 "Average Difference" CA 121 1.641 0.195 1.637 25411 35 1 6 "Average Difference" CB 117 1.493 0.497 1.414 25411 36 1 6 "Average Difference" HN 101 0.640 0.040 0.642 25411 37 1 7 "Average Difference" N 99 3.311 -0.295 3.315 25411 38 1 7 "Average Difference" HA 114 0.341 0.097 0.328 25411 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25411 40 1 7 "Average Difference" CA 121 1.595 0.176 1.592 25411 41 1 7 "Average Difference" CB 117 1.487 0.384 1.442 25411 42 1 7 "Average Difference" HN 101 0.647 0.008 0.650 25411 43 1 8 "Average Difference" N 99 3.532 -0.421 3.524 25411 44 1 8 "Average Difference" HA 114 0.327 0.096 0.313 25411 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25411 46 1 8 "Average Difference" CA 121 1.579 0.158 1.578 25411 47 1 8 "Average Difference" CB 117 1.469 0.467 1.399 25411 48 1 8 "Average Difference" HN 101 0.628 0.035 0.630 25411 49 1 9 "Average Difference" N 99 3.291 -0.329 3.291 25411 50 1 9 "Average Difference" HA 114 0.336 0.102 0.321 25411 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25411 52 1 9 "Average Difference" CA 121 1.694 0.190 1.690 25411 53 1 9 "Average Difference" CB 117 1.500 0.444 1.439 25411 54 1 9 "Average Difference" HN 101 0.659 0.006 0.663 25411 55 1 10 "Average Difference" N 99 3.192 -0.082 3.207 25411 56 1 10 "Average Difference" HA 114 0.331 0.102 0.316 25411 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25411 58 1 10 "Average Difference" CA 121 1.636 0.243 1.624 25411 59 1 10 "Average Difference" CB 117 1.452 0.363 1.412 25411 60 1 10 "Average Difference" HN 101 0.626 0.087 0.624 25411 61 1 11 "Average Difference" N 99 3.372 -0.419 3.363 25411 62 1 11 "Average Difference" HA 114 0.335 0.119 0.315 25411 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25411 64 1 11 "Average Difference" CA 121 1.678 0.129 1.680 25411 65 1 11 "Average Difference" CB 117 1.425 0.414 1.369 25411 66 1 11 "Average Difference" HN 101 0.631 0.040 0.633 25411 67 1 12 "Average Difference" N 99 3.326 -0.281 3.331 25411 68 1 12 "Average Difference" HA 114 0.350 0.118 0.331 25411 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25411 70 1 12 "Average Difference" CA 121 1.594 0.158 1.593 25411 71 1 12 "Average Difference" CB 117 1.475 0.376 1.432 25411 72 1 12 "Average Difference" HN 101 0.639 0.042 0.641 25411 73 1 13 "Average Difference" N 99 3.441 -0.256 3.449 25411 74 1 13 "Average Difference" HA 114 0.358 0.142 0.330 25411 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25411 76 1 13 "Average Difference" CA 121 1.691 0.163 1.690 25411 77 1 13 "Average Difference" CB 117 1.523 0.472 1.454 25411 78 1 13 "Average Difference" HN 101 0.651 0.040 0.653 25411 79 1 14 "Average Difference" N 99 3.242 -0.521 3.216 25411 80 1 14 "Average Difference" HA 114 0.358 0.123 0.338 25411 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25411 82 1 14 "Average Difference" CA 121 1.609 0.166 1.607 25411 83 1 14 "Average Difference" CB 117 1.512 0.416 1.460 25411 84 1 14 "Average Difference" HN 101 0.659 0.024 0.662 25411 85 1 15 "Average Difference" N 99 3.319 -0.402 3.312 25411 86 1 15 "Average Difference" HA 114 0.366 0.093 0.356 25411 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25411 88 1 15 "Average Difference" CA 121 1.694 0.207 1.689 25411 89 1 15 "Average Difference" CB 117 1.552 0.523 1.468 25411 90 1 15 "Average Difference" HN 101 0.603 0.027 0.605 25411 91 1 16 "Average Difference" N 99 3.168 -0.017 3.184 25411 92 1 16 "Average Difference" HA 114 0.354 0.115 0.336 25411 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25411 94 1 16 "Average Difference" CA 121 1.569 0.110 1.571 25411 95 1 16 "Average Difference" CB 117 1.489 0.389 1.443 25411 96 1 16 "Average Difference" HN 101 0.653 0.022 0.656 25411 97 1 17 "Average Difference" N 99 3.347 -0.308 3.350 25411 98 1 17 "Average Difference" HA 114 0.325 0.092 0.313 25411 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25411 100 1 17 "Average Difference" CA 121 1.624 0.207 1.617 25411 101 1 17 "Average Difference" CB 117 1.433 0.315 1.404 25411 102 1 17 "Average Difference" HN 101 0.618 0.026 0.620 25411 103 1 18 "Average Difference" N 99 3.213 -0.214 3.222 25411 104 1 18 "Average Difference" HA 114 0.323 0.110 0.305 25411 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25411 106 1 18 "Average Difference" CA 121 1.651 0.162 1.650 25411 107 1 18 "Average Difference" CB 117 1.476 0.384 1.431 25411 108 1 18 "Average Difference" HN 101 0.635 0.014 0.638 25411 109 1 19 "Average Difference" N 99 3.612 -0.445 3.603 25411 110 1 19 "Average Difference" HA 114 0.327 0.079 0.319 25411 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25411 112 1 19 "Average Difference" CA 121 1.647 0.201 1.642 25411 113 1 19 "Average Difference" CB 117 1.442 0.389 1.395 25411 114 1 19 "Average Difference" HN 101 0.637 0.009 0.640 25411 115 1 20 "Average Difference" N 99 3.309 -0.292 3.312 25411 116 1 20 "Average Difference" HA 114 0.348 0.107 0.333 25411 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25411 118 1 20 "Average Difference" CA 121 1.644 0.192 1.639 25411 119 1 20 "Average Difference" CB 117 1.547 0.425 1.494 25411 120 1 20 "Average Difference" HN 101 0.640 0.051 0.641 25411 121 1 21 "Average Difference" N 99 3.473 -0.294 3.478 25411 122 1 21 "Average Difference" HA 114 0.328 0.093 0.316 25411 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 25411 124 1 21 "Average Difference" CA 121 1.604 0.174 1.601 25411 125 1 21 "Average Difference" CB 117 1.487 0.396 1.439 25411 126 1 21 "Average Difference" HN 101 0.638 0.033 0.640 25411 127 1 22 "Average Difference" N 99 3.320 -0.366 3.316 25411 128 1 22 "Average Difference" HA 114 0.321 0.097 0.308 25411 129 1 22 "Average Difference" C 0 0.000 0.000 0.000 25411 130 1 22 "Average Difference" CA 121 1.635 0.162 1.634 25411 131 1 22 "Average Difference" CB 117 1.524 0.438 1.466 25411 132 1 22 "Average Difference" HN 101 0.639 0.003 0.642 25411 133 1 23 "Average Difference" N 99 3.568 -0.432 3.560 25411 134 1 23 "Average Difference" HA 114 0.343 0.101 0.329 25411 135 1 23 "Average Difference" C 0 0.000 0.000 0.000 25411 136 1 23 "Average Difference" CA 121 1.734 0.210 1.728 25411 137 1 23 "Average Difference" CB 117 1.451 0.425 1.393 25411 138 1 23 "Average Difference" HN 101 0.642 0.038 0.644 25411 139 1 24 "Average Difference" N 99 3.462 -0.335 3.463 25411 140 1 24 "Average Difference" HA 114 0.322 0.118 0.301 25411 141 1 24 "Average Difference" C 0 0.000 0.000 0.000 25411 142 1 24 "Average Difference" CA 121 1.752 0.201 1.748 25411 143 1 24 "Average Difference" CB 117 1.559 0.458 1.496 25411 144 1 24 "Average Difference" HN 101 0.641 0.030 0.643 25411 145 1 25 "Average Difference" N 99 3.261 -0.473 3.243 25411 146 1 25 "Average Difference" HA 114 0.321 0.125 0.297 25411 147 1 25 "Average Difference" C 0 0.000 0.000 0.000 25411 148 1 25 "Average Difference" CA 121 1.629 0.185 1.625 25411 149 1 25 "Average Difference" CB 117 1.410 0.464 1.337 25411 150 1 25 "Average Difference" HN 101 0.613 0.022 0.615 25411 151 1 26 "Average Difference" N 99 3.325 -0.311 3.328 25411 152 1 26 "Average Difference" HA 114 0.331 0.113 0.312 25411 153 1 26 "Average Difference" C 0 0.000 0.000 0.000 25411 154 1 26 "Average Difference" CA 121 1.618 0.220 1.610 25411 155 1 26 "Average Difference" CB 117 1.471 0.440 1.410 25411 156 1 26 "Average Difference" HN 101 0.630 0.032 0.633 25411 157 1 27 "Average Difference" N 99 3.216 -0.346 3.214 25411 158 1 27 "Average Difference" HA 114 0.369 0.123 0.349 25411 159 1 27 "Average Difference" C 0 0.000 0.000 0.000 25411 160 1 27 "Average Difference" CA 121 1.619 0.255 1.605 25411 161 1 27 "Average Difference" CB 117 1.470 0.476 1.397 25411 162 1 27 "Average Difference" HN 101 0.663 0.063 0.663 25411 163 1 28 "Average Difference" N 99 3.278 -0.446 3.264 25411 164 1 28 "Average Difference" HA 114 0.332 0.111 0.314 25411 165 1 28 "Average Difference" C 0 0.000 0.000 0.000 25411 166 1 28 "Average Difference" CA 121 1.639 0.148 1.639 25411 167 1 28 "Average Difference" CB 117 1.424 0.476 1.348 25411 168 1 28 "Average Difference" HN 101 0.646 0.046 0.647 25411 169 1 29 "Average Difference" N 99 3.425 -0.499 3.406 25411 170 1 29 "Average Difference" HA 114 0.355 0.113 0.338 25411 171 1 29 "Average Difference" C 0 0.000 0.000 0.000 25411 172 1 29 "Average Difference" CA 121 1.635 0.242 1.624 25411 173 1 29 "Average Difference" CB 117 1.475 0.437 1.415 25411 174 1 29 "Average Difference" HN 101 0.627 0.013 0.630 25411 175 1 30 "Average Difference" N 99 3.083 -0.266 3.087 25411 176 1 30 "Average Difference" HA 114 0.316 0.112 0.297 25411 177 1 30 "Average Difference" C 0 0.000 0.000 0.000 25411 178 1 30 "Average Difference" CA 121 1.655 0.210 1.648 25411 179 1 30 "Average Difference" CB 117 1.412 0.449 1.344 25411 180 1 30 "Average Difference" HN 101 0.637 0.042 0.639 25411 181 1 31 "Average Difference" N 99 3.324 -0.350 3.322 25411 182 1 31 "Average Difference" HA 114 0.358 0.105 0.344 25411 183 1 31 "Average Difference" C 0 0.000 0.000 0.000 25411 184 1 31 "Average Difference" CA 121 1.554 0.092 1.558 25411 185 1 31 "Average Difference" CB 117 1.337 0.396 1.282 25411 186 1 31 "Average Difference" HN 101 0.615 -0.012 0.618 25411 187 1 32 "Average Difference" N 99 3.348 -0.494 3.328 25411 188 1 32 "Average Difference" HA 114 0.346 0.121 0.325 25411 189 1 32 "Average Difference" C 0 0.000 0.000 0.000 25411 190 1 32 "Average Difference" CA 121 1.633 0.181 1.630 25411 191 1 32 "Average Difference" CB 117 1.450 0.496 1.368 25411 192 1 32 "Average Difference" HN 101 0.656 0.029 0.659 25411 193 1 33 "Average Difference" N 99 3.425 -0.454 3.412 25411 194 1 33 "Average Difference" HA 114 0.349 0.103 0.335 25411 195 1 33 "Average Difference" C 0 0.000 0.000 0.000 25411 196 1 33 "Average Difference" CA 121 1.619 0.201 1.614 25411 197 1 33 "Average Difference" CB 117 1.563 0.493 1.490 25411 198 1 33 "Average Difference" HN 101 0.647 -0.023 0.650 25411 199 1 34 "Average Difference" N 99 3.168 -0.264 3.173 25411 200 1 34 "Average Difference" HA 114 0.356 0.122 0.336 25411 201 1 34 "Average Difference" C 0 0.000 0.000 0.000 25411 202 1 34 "Average Difference" CA 121 1.680 0.196 1.676 25411 203 1 34 "Average Difference" CB 117 1.566 0.481 1.497 25411 204 1 34 "Average Difference" HN 101 0.622 0.059 0.622 25411 205 1 35 "Average Difference" N 99 3.135 -0.158 3.147 25411 206 1 35 "Average Difference" HA 114 0.318 0.120 0.296 25411 207 1 35 "Average Difference" C 0 0.000 0.000 0.000 25411 208 1 35 "Average Difference" CA 121 1.645 0.272 1.629 25411 209 1 35 "Average Difference" CB 117 1.386 0.484 1.304 25411 210 1 35 "Average Difference" HN 101 0.628 0.057 0.628 25411 211 1 36 "Average Difference" N 99 3.273 -0.441 3.259 25411 212 1 36 "Average Difference" HA 114 0.319 0.112 0.300 25411 213 1 36 "Average Difference" C 0 0.000 0.000 0.000 25411 214 1 36 "Average Difference" CA 121 1.639 0.231 1.629 25411 215 1 36 "Average Difference" CB 117 1.488 0.428 1.432 25411 216 1 36 "Average Difference" HN 101 0.634 0.025 0.637 25411 217 1 37 "Average Difference" N 99 3.269 -0.438 3.255 25411 218 1 37 "Average Difference" HA 114 0.326 0.112 0.307 25411 219 1 37 "Average Difference" C 0 0.000 0.000 0.000 25411 220 1 37 "Average Difference" CA 121 1.706 0.234 1.697 25411 221 1 37 "Average Difference" CB 117 1.553 0.493 1.479 25411 222 1 37 "Average Difference" HN 101 0.620 0.069 0.620 25411 223 1 38 "Average Difference" N 99 3.298 -0.421 3.288 25411 224 1 38 "Average Difference" HA 114 0.347 0.113 0.329 25411 225 1 38 "Average Difference" C 0 0.000 0.000 0.000 25411 226 1 38 "Average Difference" CA 121 1.639 0.177 1.636 25411 227 1 38 "Average Difference" CB 117 1.553 0.484 1.482 25411 228 1 38 "Average Difference" HN 101 0.615 0.051 0.616 25411 229 1 39 "Average Difference" N 99 3.604 -0.366 3.604 25411 230 1 39 "Average Difference" HA 114 0.330 0.107 0.313 25411 231 1 39 "Average Difference" C 0 0.000 0.000 0.000 25411 232 1 39 "Average Difference" CA 121 1.732 0.201 1.727 25411 233 1 39 "Average Difference" CB 117 1.540 0.416 1.489 25411 234 1 39 "Average Difference" HN 101 0.643 0.032 0.645 25411 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 25411 _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 GLN N N 3 122.360 122.360 120.507 1.853 25411 2 1 . 1 1 3 3 GLN HA H 3 3.888 3.888 4.355 -0.467 25411 3 1 . 1 1 3 3 GLN CA C 3 58.742 58.742 56.884 1.858 25411 4 1 . 1 1 3 3 GLN CB C 3 28.383 28.383 28.829 -0.446 25411 5 1 . 1 1 3 3 GLN H H 3 9.398 9.398 8.530 0.868 25411 6 1 . 1 1 4 4 GLU N N 4 119.689 119.689 120.087 -0.398 25411 7 1 . 1 1 4 4 GLU HA H 4 4.674 4.674 4.176 0.498 25411 8 1 . 1 1 4 4 GLU CA C 4 57.807 57.807 57.888 -0.081 25411 9 1 . 1 1 4 4 GLU CB C 4 28.700 28.700 28.878 -0.178 25411 10 1 . 1 1 4 4 GLU H H 4 7.464 7.464 8.847 -1.383 25411 11 1 . 1 1 5 5 LEU N N 5 114.872 114.872 122.063 -7.191 25411 12 1 . 1 1 5 5 LEU HA H 5 3.701 3.701 4.112 -0.411 25411 13 1 . 1 1 5 5 LEU CA C 5 57.738 57.738 58.027 -0.289 25411 14 1 . 1 1 5 5 LEU CB C 5 40.815 40.815 41.960 -1.145 25411 15 1 . 1 1 5 5 LEU H H 5 8.206 8.206 7.719 0.487 25411 16 1 . 1 1 6 6 SER N N 6 109.762 109.762 113.323 -3.561 25411 17 1 . 1 1 6 6 SER HA H 6 4.092 4.092 4.121 -0.029 25411 18 1 . 1 1 6 6 SER CA C 6 60.415 60.415 61.850 -1.435 25411 19 1 . 1 1 6 6 SER CB C 6 63.391 63.391 62.615 0.776 25411 20 1 . 1 1 6 6 SER H H 6 8.253 8.253 8.138 0.115 25411 21 1 . 1 1 7 7 GLN N N 7 117.498 117.498 122.541 -5.043 25411 22 1 . 1 1 7 7 GLN HA H 7 3.955 3.955 4.151 -0.196 25411 23 1 . 1 1 7 7 GLN CA C 7 58.425 58.425 58.540 -0.115 25411 24 1 . 1 1 7 7 GLN CB C 7 28.739 28.739 28.577 0.162 25411 25 1 . 1 1 7 7 GLN H H 7 8.673 8.673 7.872 0.801 25411 26 1 . 1 1 8 8 HIS HA H 8 3.797 3.797 4.309 -0.512 25411 27 1 . 1 1 8 8 HIS CA C 8 59.055 59.055 59.777 -0.722 25411 28 1 . 1 1 8 8 HIS CB C 8 29.109 29.109 30.059 -0.950 25411 29 1 . 1 1 9 9 GLU N N 9 120.354 120.354 119.588 0.766 25411 30 1 . 1 1 9 9 GLU HA H 9 3.959 3.959 4.125 -0.166 25411 31 1 . 1 1 9 9 GLU CA C 9 60.258 60.258 59.105 1.153 25411 32 1 . 1 1 9 9 GLU CB C 9 29.227 29.227 29.569 -0.342 25411 33 1 . 1 1 9 9 GLU H H 9 7.690 7.690 8.446 -0.756 25411 34 1 . 1 1 10 10 ARG N N 10 118.753 118.753 120.017 -1.264 25411 35 1 . 1 1 10 10 ARG HA H 10 4.099 4.099 4.048 0.051 25411 36 1 . 1 1 10 10 ARG CA C 10 58.221 58.221 59.381 -1.160 25411 37 1 . 1 1 10 10 ARG CB C 10 29.095 29.095 30.162 -1.067 25411 38 1 . 1 1 10 10 ARG H H 10 8.928 8.928 7.977 0.951 25411 39 1 . 1 1 11 11 TYR N N 11 121.288 121.288 119.374 1.914 25411 40 1 . 1 1 11 11 TYR HA H 11 4.189 4.189 4.264 -0.075 25411 41 1 . 1 1 11 11 TYR CA C 11 61.236 61.236 62.026 -0.790 25411 42 1 . 1 1 11 11 TYR CB C 11 37.861 37.861 38.336 -0.475 25411 43 1 . 1 1 11 11 TYR H H 11 7.562 7.562 8.672 -1.110 25411 44 1 . 1 1 12 12 VAL N N 12 119.304 119.304 119.692 -0.388 25411 45 1 . 1 1 12 12 VAL HA H 12 3.083 3.083 3.669 -0.586 25411 46 1 . 1 1 12 12 VAL CA C 12 66.835 66.835 66.532 0.303 25411 47 1 . 1 1 12 12 VAL CB C 12 31.099 31.099 31.556 -0.457 25411 48 1 . 1 1 12 12 VAL H H 12 8.075 8.075 7.836 0.239 25411 49 1 . 1 1 13 13 GLU N N 13 119.685 119.685 119.958 -0.273 25411 50 1 . 1 1 13 13 GLU HA H 13 4.155 4.155 4.029 0.127 25411 51 1 . 1 1 13 13 GLU CA C 13 59.425 59.425 59.311 0.114 25411 52 1 . 1 1 13 13 GLU CB C 13 29.188 29.188 29.184 0.004 25411 53 1 . 1 1 13 13 GLU H H 13 8.278 8.278 7.865 0.413 25411 54 1 . 1 1 14 14 GLN N N 14 119.682 119.682 120.040 -0.358 25411 55 1 . 1 1 14 14 GLN HA H 14 3.656 3.656 4.027 -0.371 25411 56 1 . 1 1 14 14 GLN CA C 14 59.969 59.969 58.828 1.141 25411 57 1 . 1 1 14 14 GLN CB C 14 29.673 29.673 28.364 1.309 25411 58 1 . 1 1 14 14 GLN H H 14 7.653 7.653 8.187 -0.534 25411 59 1 . 1 1 15 15 LEU N N 15 121.000 121.000 119.147 1.853 25411 60 1 . 1 1 15 15 LEU HA H 15 3.921 3.921 4.069 -0.148 25411 61 1 . 1 1 15 15 LEU CA C 15 58.455 58.455 57.408 1.047 25411 62 1 . 1 1 15 15 LEU CB C 15 40.760 40.760 41.166 -0.406 25411 63 1 . 1 1 15 15 LEU H H 15 8.402 8.402 8.558 -0.156 25411 64 1 . 1 1 16 16 LYS HA H 16 3.696 3.696 3.873 -0.177 25411 65 1 . 1 1 16 16 LYS CA C 16 60.258 60.258 60.337 -0.079 25411 66 1 . 1 1 16 16 LYS CB C 16 32.135 32.135 32.286 -0.151 25411 67 1 . 1 1 17 17 GLN N N 17 117.558 117.558 118.416 -0.858 25411 68 1 . 1 1 17 17 GLN HA H 17 3.887 3.887 4.050 -0.163 25411 69 1 . 1 1 17 17 GLN CA C 17 58.442 58.442 58.766 -0.324 25411 70 1 . 1 1 17 17 GLN CB C 17 28.045 28.045 28.707 -0.662 25411 71 1 . 1 1 17 17 GLN H H 17 7.849 7.849 8.012 -0.163 25411 72 1 . 1 1 18 18 ALA N N 18 120.288 120.288 123.100 -2.812 25411 73 1 . 1 1 18 18 ALA HA H 18 3.788 3.788 4.156 -0.368 25411 74 1 . 1 1 18 18 ALA CA C 18 54.893 54.893 54.879 0.014 25411 75 1 . 1 1 18 18 ALA CB C 18 17.396 17.396 18.613 -1.217 25411 76 1 . 1 1 18 18 ALA H H 18 8.504 8.504 8.270 0.234 25411 77 1 . 1 1 19 19 LEU N N 19 116.974 116.974 118.211 -1.237 25411 78 1 . 1 1 19 19 LEU HA H 19 3.759 3.759 4.047 -0.288 25411 79 1 . 1 1 19 19 LEU CA C 19 57.552 57.552 56.972 0.580 25411 80 1 . 1 1 19 19 LEU CB C 19 40.693 40.693 41.758 -1.065 25411 81 1 . 1 1 19 19 LEU H H 19 8.143 8.143 8.381 -0.238 25411 82 1 . 1 1 20 20 LYS N N 20 117.776 117.776 121.332 -3.556 25411 83 1 . 1 1 20 20 LYS HA H 20 3.955 3.955 4.062 -0.107 25411 84 1 . 1 1 20 20 LYS CA C 20 59.544 59.544 59.686 -0.142 25411 85 1 . 1 1 20 20 LYS CB C 20 30.486 30.486 32.431 -1.945 25411 86 1 . 1 1 20 20 LYS H H 20 8.340 8.340 8.115 0.225 25411 87 1 . 1 1 21 21 THR N N 21 116.373 116.373 111.733 4.640 25411 88 1 . 1 1 21 21 THR HA H 21 4.107 4.107 4.213 -0.106 25411 89 1 . 1 1 21 21 THR CA C 21 64.611 64.611 64.465 0.146 25411 90 1 . 1 1 21 21 THR CB C 21 68.811 68.811 68.450 0.361 25411 91 1 . 1 1 21 21 THR H H 21 7.302 7.302 7.923 -0.621 25411 92 1 . 1 1 22 22 ARG N N 22 118.647 118.647 119.746 -1.099 25411 93 1 . 1 1 22 22 ARG HA H 22 4.362 4.362 4.468 -0.106 25411 94 1 . 1 1 22 22 ARG CA C 22 54.065 54.065 55.727 -1.662 25411 95 1 . 1 1 22 22 ARG CB C 22 29.528 29.528 31.090 -1.562 25411 96 1 . 1 1 22 22 ARG H H 22 7.290 7.290 7.652 -0.362 25411 97 1 . 1 1 23 23 GLY N N 23 108.637 108.637 107.883 0.754 25411 98 1 . 1 1 23 23 GLY CA C 23 46.112 46.112 45.623 0.489 25411 99 1 . 1 1 23 23 GLY H H 23 7.881 7.881 7.684 0.197 25411 100 1 . 1 1 24 24 VAL N N 24 117.390 117.390 121.429 -4.039 25411 101 1 . 1 1 24 24 VAL HA H 24 4.014 4.014 3.941 0.073 25411 102 1 . 1 1 24 24 VAL CA C 24 61.668 61.668 62.570 -0.902 25411 103 1 . 1 1 24 24 VAL CB C 24 32.372 32.372 30.063 2.309 25411 104 1 . 1 1 24 24 VAL H H 24 7.333 7.333 7.605 -0.272 25411 105 1 . 1 1 25 25 LYS N N 25 127.322 127.322 118.957 8.365 25411 106 1 . 1 1 25 25 LYS HA H 25 4.332 4.332 3.941 0.391 25411 107 1 . 1 1 25 25 LYS CA C 25 55.762 55.762 57.351 -1.588 25411 108 1 . 1 1 25 25 LYS CB C 25 31.761 31.761 31.727 0.034 25411 109 1 . 1 1 25 25 LYS H H 25 8.722 8.722 8.021 0.701 25411 110 1 . 1 1 26 26 VAL N N 26 120.568 120.568 119.756 0.812 25411 111 1 . 1 1 26 26 VAL HA H 26 4.078 4.078 4.238 -0.160 25411 112 1 . 1 1 26 26 VAL CA C 26 60.665 60.665 61.439 -0.774 25411 113 1 . 1 1 26 26 VAL CB C 26 33.647 33.647 33.478 0.169 25411 114 1 . 1 1 26 26 VAL H H 26 7.119 7.119 8.201 -1.082 25411 115 1 . 1 1 27 27 LYS N N 27 125.675 125.675 126.103 -0.428 25411 116 1 . 1 1 27 27 LYS HA H 27 4.326 4.326 4.381 -0.055 25411 117 1 . 1 1 27 27 LYS CA C 27 55.411 55.411 55.150 0.261 25411 118 1 . 1 1 27 27 LYS CB C 27 31.959 31.959 34.876 -2.917 25411 119 1 . 1 1 27 27 LYS H H 27 8.570 8.570 8.032 0.538 25411 120 1 . 1 1 28 28 TYR HA H 28 4.017 4.017 4.499 -0.482 25411 121 1 . 1 1 28 28 TYR CA C 28 56.412 56.412 58.732 -2.320 25411 122 1 . 1 1 28 28 TYR CB C 28 40.840 40.840 38.870 1.970 25411 123 1 . 1 1 29 29 ALA N N 29 120.743 120.743 128.182 -7.439 25411 124 1 . 1 1 29 29 ALA HA H 29 3.668 3.668 4.162 -0.494 25411 125 1 . 1 1 29 29 ALA CA C 29 54.678 54.678 54.993 -0.315 25411 126 1 . 1 1 29 29 ALA CB C 29 18.000 18.000 18.993 -0.993 25411 127 1 . 1 1 29 29 ALA H H 29 8.323 8.323 8.781 -0.458 25411 128 1 . 1 1 30 30 ASP N N 30 117.202 117.202 118.144 -0.942 25411 129 1 . 1 1 30 30 ASP HA H 30 4.281 4.281 4.428 -0.147 25411 130 1 . 1 1 30 30 ASP CA C 30 56.553 56.553 56.332 0.221 25411 131 1 . 1 1 30 30 ASP CB C 30 39.807 39.807 39.701 0.106 25411 132 1 . 1 1 30 30 ASP H H 30 6.872 6.872 8.697 -1.825 25411 133 1 . 1 1 31 31 LEU N N 31 122.273 122.273 119.259 3.014 25411 134 1 . 1 1 31 31 LEU HA H 31 3.546 3.546 4.353 -0.807 25411 135 1 . 1 1 31 31 LEU CA C 31 56.725 56.725 56.764 -0.039 25411 136 1 . 1 1 31 31 LEU CB C 31 40.658 40.658 42.273 -1.615 25411 137 1 . 1 1 31 31 LEU H H 31 7.433 7.433 7.656 -0.223 25411 138 1 . 1 1 32 32 LEU N N 32 123.376 123.376 118.907 4.469 25411 139 1 . 1 1 32 32 LEU HA H 32 3.615 3.615 4.202 -0.587 25411 140 1 . 1 1 32 32 LEU CA C 32 58.096 58.096 58.008 0.088 25411 141 1 . 1 1 32 32 LEU CB C 32 40.542 40.542 41.882 -1.340 25411 142 1 . 1 1 32 32 LEU H H 32 8.727 8.727 7.870 0.857 25411 143 1 . 1 1 33 33 LYS N N 33 118.078 118.078 120.399 -2.321 25411 144 1 . 1 1 33 33 LYS HA H 33 4.213 4.213 4.337 -0.124 25411 145 1 . 1 1 33 33 LYS CA C 33 59.098 59.098 59.348 -0.250 25411 146 1 . 1 1 33 33 LYS CB C 33 31.890 31.890 32.017 -0.127 25411 147 1 . 1 1 33 33 LYS H H 33 7.149 7.149 7.611 -0.462 25411 148 1 . 1 1 34 34 PHE N N 34 117.398 117.398 120.805 -3.407 25411 149 1 . 1 1 34 34 PHE CA C 34 56.695 56.695 61.646 -4.951 25411 150 1 . 1 1 34 34 PHE CB C 34 41.219 41.219 39.061 2.158 25411 151 1 . 1 1 34 34 PHE H H 34 7.633 7.633 8.324 -0.691 25411 152 1 . 1 1 35 35 PHE HA H 35 3.793 3.793 4.063 -0.270 25411 153 1 . 1 1 35 35 PHE CA C 35 61.592 61.592 61.972 -0.380 25411 154 1 . 1 1 35 35 PHE CB C 35 37.014 37.014 39.326 -2.312 25411 155 1 . 1 1 36 36 ASP N N 36 120.136 120.136 119.662 0.474 25411 156 1 . 1 1 36 36 ASP HA H 36 4.096 4.096 4.431 -0.335 25411 157 1 . 1 1 36 36 ASP CA C 36 56.941 56.941 57.399 -0.458 25411 158 1 . 1 1 36 36 ASP CB C 36 39.104 39.104 40.549 -1.445 25411 159 1 . 1 1 36 36 ASP H H 36 8.330 8.330 8.760 -0.430 25411 160 1 . 1 1 37 37 PHE N N 37 121.883 121.883 120.534 1.349 25411 161 1 . 1 1 37 37 PHE HA H 37 4.258 4.258 4.370 -0.112 25411 162 1 . 1 1 37 37 PHE CA C 37 59.698 59.698 61.293 -1.595 25411 163 1 . 1 1 37 37 PHE CB C 37 40.185 40.185 39.275 0.910 25411 164 1 . 1 1 37 37 PHE H H 37 7.794 7.794 8.389 -0.595 25411 165 1 . 1 1 38 38 VAL N N 38 118.525 118.525 119.050 -0.525 25411 166 1 . 1 1 38 38 VAL HA H 38 3.039 3.039 3.519 -0.480 25411 167 1 . 1 1 38 38 VAL CA C 38 66.882 66.882 66.039 0.843 25411 168 1 . 1 1 38 38 VAL CB C 38 30.688 30.688 31.229 -0.541 25411 169 1 . 1 1 38 38 VAL H H 38 8.262 8.262 7.868 0.394 25411 170 1 . 1 1 39 39 LYS HA H 39 3.456 3.456 3.914 -0.458 25411 171 1 . 1 1 39 39 LYS CA C 39 59.054 59.054 59.157 -0.103 25411 172 1 . 1 1 39 39 LYS CB C 39 31.696 31.696 31.980 -0.284 25411 173 1 . 1 1 40 40 ASP HA H 40 4.445 4.445 4.505 -0.060 25411 174 1 . 1 1 40 40 ASP CA C 40 56.985 56.985 56.317 0.668 25411 175 1 . 1 1 40 40 ASP CB C 40 40.692 40.692 41.553 -0.861 25411 176 1 . 1 1 41 41 ILE N N 41 120.641 120.641 117.927 2.714 25411 177 1 . 1 1 41 41 ILE HA H 41 4.025 4.025 4.023 0.002 25411 178 1 . 1 1 41 41 ILE CA C 41 61.652 61.652 64.190 -2.538 25411 179 1 . 1 1 41 41 ILE CB C 41 38.064 38.064 38.769 -0.705 25411 180 1 . 1 1 41 41 ILE H H 41 8.788 8.788 7.996 0.792 25411 181 1 . 1 1 42 42 CYS N N 42 117.896 117.896 115.899 1.997 25411 182 1 . 1 1 42 42 CYS CA C 42 56.172 56.172 55.729 0.443 25411 183 1 . 1 1 42 42 CYS CB C 42 28.324 28.324 28.418 -0.094 25411 184 1 . 1 1 42 42 CYS H H 42 7.180 7.180 7.589 -0.409 25411 185 1 . 1 1 43 43 PRO HA H 43 4.315 4.315 4.123 0.192 25411 186 1 . 1 1 43 43 PRO CA C 43 65.003 65.003 64.753 0.250 25411 187 1 . 1 1 43 43 PRO CB C 43 30.715 30.715 31.305 -0.590 25411 188 1 . 1 1 44 44 TRP N N 44 113.823 113.823 116.497 -2.674 25411 189 1 . 1 1 44 44 TRP HA H 44 4.305 4.305 4.411 -0.106 25411 190 1 . 1 1 44 44 TRP CA C 44 55.398 55.398 57.184 -1.786 25411 191 1 . 1 1 44 44 TRP CB C 44 27.811 27.811 29.299 -1.488 25411 192 1 . 1 1 44 44 TRP H H 44 6.591 6.591 7.653 -1.062 25411 193 1 . 1 1 45 45 PHE N N 45 123.100 123.100 115.964 7.136 25411 194 1 . 1 1 45 45 PHE HA H 45 4.001 4.001 4.987 -0.986 25411 195 1 . 1 1 45 45 PHE CA C 45 62.809 62.809 54.719 8.090 25411 196 1 . 1 1 45 45 PHE CB C 45 34.935 34.935 38.135 -3.200 25411 197 1 . 1 1 45 45 PHE H H 45 7.239 7.239 7.641 -0.402 25411 198 1 . 1 1 46 46 PRO HA H 46 4.012 4.012 4.242 -0.230 25411 199 1 . 1 1 46 46 PRO CA C 46 64.531 64.531 64.546 -0.015 25411 200 1 . 1 1 46 46 PRO CB C 46 30.487 30.487 31.744 -1.257 25411 201 1 . 1 1 47 47 GLN N N 47 114.502 114.502 117.209 -2.707 25411 202 1 . 1 1 47 47 GLN HA H 47 3.937 3.937 4.091 -0.154 25411 203 1 . 1 1 47 47 GLN CA C 47 58.404 58.404 58.119 0.285 25411 204 1 . 1 1 47 47 GLN CB C 47 28.320 28.320 27.522 0.798 25411 205 1 . 1 1 47 47 GLN H H 47 6.518 6.518 8.515 -1.997 25411 206 1 . 1 1 48 48 GLU N N 48 117.358 117.358 118.695 -1.337 25411 207 1 . 1 1 48 48 GLU HA H 48 4.038 4.038 4.205 -0.167 25411 208 1 . 1 1 48 48 GLU CA C 48 58.172 58.172 56.751 1.421 25411 209 1 . 1 1 48 48 GLU CB C 48 28.954 28.954 30.223 -1.269 25411 210 1 . 1 1 48 48 GLU H H 48 7.318 7.318 7.838 -0.520 25411 211 1 . 1 1 49 49 GLY N N 49 105.534 105.534 108.365 -2.831 25411 212 1 . 1 1 49 49 GLY CA C 49 47.303 47.303 45.802 1.501 25411 213 1 . 1 1 49 49 GLY H H 49 7.296 7.296 7.785 -0.489 25411 214 1 . 1 1 50 50 THR N N 50 114.069 114.069 113.163 0.906 25411 215 1 . 1 1 50 50 THR HA H 50 4.234 4.234 4.412 -0.178 25411 216 1 . 1 1 50 50 THR CA C 50 61.683 61.683 60.640 1.043 25411 217 1 . 1 1 50 50 THR CB C 50 70.718 70.718 70.652 0.066 25411 218 1 . 1 1 50 50 THR H H 50 7.597 7.597 7.602 -0.005 25411 219 1 . 1 1 51 51 ILE HA H 51 4.125 4.125 4.205 -0.080 25411 220 1 . 1 1 51 51 ILE CA C 51 59.870 59.870 61.313 -1.443 25411 221 1 . 1 1 51 51 ILE CB C 51 35.288 35.288 39.098 -3.810 25411 222 1 . 1 1 52 52 ASP N N 52 121.791 121.791 125.117 -3.326 25411 223 1 . 1 1 52 52 ASP HA H 52 4.623 4.623 4.808 -0.185 25411 224 1 . 1 1 52 52 ASP CA C 52 51.732 51.732 52.917 -1.185 25411 225 1 . 1 1 52 52 ASP CB C 52 42.461 42.461 44.123 -1.662 25411 226 1 . 1 1 52 52 ASP H H 52 7.168 7.168 8.170 -1.002 25411 227 1 . 1 1 53 53 ILE N N 53 119.537 119.537 119.056 0.481 25411 228 1 . 1 1 53 53 ILE HA H 53 4.135 4.135 4.498 -0.363 25411 229 1 . 1 1 53 53 ILE CA C 53 61.796 61.796 62.010 -0.214 25411 230 1 . 1 1 53 53 ILE CB C 53 37.815 37.815 39.750 -1.935 25411 231 1 . 1 1 53 53 ILE H H 53 8.336 8.336 8.429 -0.093 25411 232 1 . 1 1 54 54 LYS N N 54 123.592 123.592 121.899 1.693 25411 233 1 . 1 1 54 54 LYS HA H 54 4.105 4.105 4.170 -0.065 25411 234 1 . 1 1 54 54 LYS CA C 54 59.972 59.972 59.913 0.059 25411 235 1 . 1 1 54 54 LYS CB C 54 31.748 31.748 32.137 -0.389 25411 236 1 . 1 1 54 54 LYS H H 54 8.104 8.104 8.230 -0.126 25411 237 1 . 1 1 55 55 ARG N N 55 120.511 120.511 119.443 1.068 25411 238 1 . 1 1 55 55 ARG HA H 55 4.301 4.301 4.104 0.197 25411 239 1 . 1 1 55 55 ARG CA C 55 59.903 59.903 59.375 0.528 25411 240 1 . 1 1 55 55 ARG CB C 55 30.056 30.056 30.048 0.008 25411 241 1 . 1 1 55 55 ARG H H 55 9.196 9.196 8.726 0.470 25411 242 1 . 1 1 56 56 TRP N N 56 120.681 120.681 121.862 -1.181 25411 243 1 . 1 1 56 56 TRP HA H 56 4.703 4.703 4.523 0.180 25411 244 1 . 1 1 56 56 TRP CA C 56 59.406 59.406 60.116 -0.710 25411 245 1 . 1 1 56 56 TRP CB C 56 30.014 30.014 29.074 0.940 25411 246 1 . 1 1 56 56 TRP H H 56 8.899 8.899 8.364 0.535 25411 247 1 . 1 1 57 57 ARG N N 57 122.115 122.115 119.640 2.475 25411 248 1 . 1 1 57 57 ARG HA H 57 4.407 4.407 3.650 0.757 25411 249 1 . 1 1 57 57 ARG CA C 57 60.027 60.027 59.052 0.975 25411 250 1 . 1 1 57 57 ARG CB C 57 29.786 29.786 29.760 0.026 25411 251 1 . 1 1 57 57 ARG H H 57 9.210 9.210 8.168 1.042 25411 252 1 . 1 1 58 58 ARG N N 58 120.918 120.918 119.406 1.512 25411 253 1 . 1 1 58 58 ARG CA C 58 59.845 59.845 59.436 0.409 25411 254 1 . 1 1 58 58 ARG CB C 58 29.729 29.729 30.060 -0.331 25411 255 1 . 1 1 58 58 ARG H H 58 7.640 7.640 7.676 -0.036 25411 256 1 . 1 1 59 59 VAL HA H 59 3.764 3.764 3.735 0.029 25411 257 1 . 1 1 59 59 VAL CA C 59 66.000 66.000 65.601 0.399 25411 258 1 . 1 1 59 59 VAL CB C 59 30.832 30.832 31.343 -0.511 25411 259 1 . 1 1 59 59 VAL H H 59 7.916 7.916 7.711 0.205 25411 260 1 . 1 1 60 60 GLY N N 60 106.856 106.856 107.359 -0.503 25411 261 1 . 1 1 60 60 GLY CA C 60 46.081 46.081 47.097 -1.016 25411 262 1 . 1 1 60 60 GLY H H 60 7.623 7.623 8.289 -0.666 25411 263 1 . 1 1 61 61 ASP N N 61 123.308 123.308 122.583 0.725 25411 264 1 . 1 1 61 61 ASP HA H 61 4.225 4.225 4.549 -0.324 25411 265 1 . 1 1 61 61 ASP CA C 61 56.800 56.800 57.020 -0.220 25411 266 1 . 1 1 61 61 ASP CB C 61 39.484 39.484 40.745 -1.261 25411 267 1 . 1 1 61 61 ASP H H 61 8.203 8.203 8.002 0.201 25411 268 1 . 1 1 62 62 CYS N N 62 120.841 120.841 118.537 2.304 25411 269 1 . 1 1 62 62 CYS HA H 62 4.238 4.238 4.048 0.190 25411 270 1 . 1 1 62 62 CYS CA C 62 62.950 62.950 64.065 -1.115 25411 271 1 . 1 1 62 62 CYS CB C 62 26.503 26.503 26.850 -0.347 25411 272 1 . 1 1 62 62 CYS H H 62 7.795 7.795 7.583 0.212 25411 273 1 . 1 1 63 63 PHE N N 63 119.763 119.763 119.345 0.418 25411 274 1 . 1 1 63 63 PHE HA H 63 4.278 4.278 4.287 -0.009 25411 275 1 . 1 1 63 63 PHE CA C 63 58.657 58.657 61.409 -2.752 25411 276 1 . 1 1 63 63 PHE CB C 63 36.990 36.990 38.574 -1.584 25411 277 1 . 1 1 63 63 PHE H H 63 8.647 8.647 7.814 0.833 25411 278 1 . 1 1 64 64 GLN N N 64 118.578 118.578 119.686 -1.108 25411 279 1 . 1 1 64 64 GLN HA H 64 4.308 4.308 4.062 0.246 25411 280 1 . 1 1 64 64 GLN CA C 64 59.333 59.333 58.813 0.520 25411 281 1 . 1 1 64 64 GLN CB C 64 28.579 28.579 28.323 0.256 25411 282 1 . 1 1 64 64 GLN H H 64 8.261 8.261 8.437 -0.176 25411 283 1 . 1 1 65 65 ASP N N 65 119.534 119.534 121.601 -2.067 25411 284 1 . 1 1 65 65 ASP HA H 65 4.484 4.484 4.366 0.118 25411 285 1 . 1 1 65 65 ASP CA C 65 57.329 57.329 57.136 0.193 25411 286 1 . 1 1 65 65 ASP CB C 65 39.671 39.671 40.903 -1.232 25411 287 1 . 1 1 65 65 ASP H H 65 8.338 8.338 8.450 -0.112 25411 288 1 . 1 1 66 66 TYR N N 66 123.600 123.600 122.040 1.560 25411 289 1 . 1 1 66 66 TYR HA H 66 4.502 4.502 3.982 0.520 25411 290 1 . 1 1 66 66 TYR CA C 66 61.231 61.231 62.083 -0.852 25411 291 1 . 1 1 66 66 TYR CB C 66 38.433 38.433 38.447 -0.014 25411 292 1 . 1 1 66 66 TYR H H 66 7.804 7.804 8.319 -0.515 25411 293 1 . 1 1 67 67 TYR N N 67 122.825 122.825 118.364 4.461 25411 294 1 . 1 1 67 67 TYR HA H 67 3.997 3.997 3.956 0.041 25411 295 1 . 1 1 67 67 TYR CA C 67 61.903 61.903 61.540 0.363 25411 296 1 . 1 1 67 67 TYR CB C 67 38.946 38.946 38.479 0.467 25411 297 1 . 1 1 67 67 TYR H H 67 9.100 9.100 8.265 0.835 25411 298 1 . 1 1 68 68 ASN N N 68 118.826 118.826 117.027 1.799 25411 299 1 . 1 1 68 68 ASN HA H 68 4.283 4.283 4.307 -0.024 25411 300 1 . 1 1 68 68 ASN CA C 68 55.432 55.432 55.781 -0.349 25411 301 1 . 1 1 68 68 ASN CB C 68 37.876 37.876 38.146 -0.270 25411 302 1 . 1 1 68 68 ASN H H 68 8.853 8.853 8.512 0.341 25411 303 1 . 1 1 69 69 THR N N 69 114.242 114.242 114.652 -0.410 25411 304 1 . 1 1 69 69 THR HA H 69 3.837 3.837 3.958 -0.121 25411 305 1 . 1 1 69 69 THR CA C 69 65.328 65.328 65.349 -0.021 25411 306 1 . 1 1 69 69 THR CB C 69 69.249 69.249 68.371 0.878 25411 307 1 . 1 1 69 69 THR H H 69 7.847 7.847 8.032 -0.185 25411 308 1 . 1 1 70 70 PHE N N 70 117.970 117.970 118.307 -0.337 25411 309 1 . 1 1 70 70 PHE HA H 70 4.564 4.564 4.441 0.123 25411 310 1 . 1 1 70 70 PHE CA C 70 58.242 58.242 57.996 0.246 25411 311 1 . 1 1 70 70 PHE CB C 70 41.074 41.074 39.011 2.063 25411 312 1 . 1 1 70 70 PHE H H 70 8.489 8.489 7.225 1.264 25411 313 1 . 1 1 71 71 GLY N N 71 109.516 109.516 107.334 2.182 25411 314 1 . 1 1 71 71 GLY CA C 71 45.032 45.032 44.681 0.351 25411 315 1 . 1 1 71 71 GLY H H 71 7.968 7.968 7.718 0.250 25411 316 1 . 1 1 72 72 PRO HA H 72 4.711 4.711 4.424 0.287 25411 317 1 . 1 1 72 72 PRO CA C 72 63.297 63.297 62.356 0.941 25411 318 1 . 1 1 72 72 PRO CB C 72 31.744 31.744 31.639 0.105 25411 319 1 . 1 1 73 73 GLU N N 73 117.720 117.720 125.561 -7.841 25411 320 1 . 1 1 73 73 GLU HA H 73 3.899 3.899 4.103 -0.204 25411 321 1 . 1 1 73 73 GLU CA C 73 58.736 58.736 58.564 0.172 25411 322 1 . 1 1 73 73 GLU CB C 73 28.863 28.863 29.830 -0.967 25411 323 1 . 1 1 73 73 GLU H H 73 8.586 8.586 8.610 -0.024 25411 324 1 . 1 1 74 74 LYS N N 74 116.974 116.974 118.656 -1.682 25411 325 1 . 1 1 74 74 LYS HA H 74 4.389 4.389 4.420 -0.031 25411 326 1 . 1 1 74 74 LYS CA C 74 55.185 55.185 55.605 -0.420 25411 327 1 . 1 1 74 74 LYS CB C 74 34.087 34.087 32.079 2.008 25411 328 1 . 1 1 74 74 LYS H H 74 7.505 7.505 8.204 -0.699 25411 329 1 . 1 1 75 75 VAL N N 75 117.309 117.309 122.775 -5.466 25411 330 1 . 1 1 75 75 VAL HA H 75 4.313 4.313 4.317 -0.004 25411 331 1 . 1 1 75 75 VAL CA C 75 62.045 62.045 60.542 1.503 25411 332 1 . 1 1 75 75 VAL CB C 75 31.984 31.984 32.513 -0.529 25411 333 1 . 1 1 75 75 VAL H H 75 7.402 7.402 7.594 -0.192 25411 334 1 . 1 1 76 76 PRO HA H 76 4.562 4.562 4.602 -0.040 25411 335 1 . 1 1 76 76 PRO CA C 76 61.687 61.687 62.855 -1.168 25411 336 1 . 1 1 76 76 PRO CB C 76 31.731 31.731 32.658 -0.927 25411 337 1 . 1 1 77 77 VAL N N 77 120.870 120.870 122.280 -1.410 25411 338 1 . 1 1 77 77 VAL HA H 77 3.828 3.828 4.187 -0.359 25411 339 1 . 1 1 77 77 VAL CA C 77 65.838 65.838 64.180 1.658 25411 340 1 . 1 1 77 77 VAL CB C 77 31.387 31.387 31.999 -0.612 25411 341 1 . 1 1 77 77 VAL H H 77 8.473 8.473 8.792 -0.319 25411 342 1 . 1 1 78 78 ILE HA H 78 3.852 3.852 3.856 -0.004 25411 343 1 . 1 1 78 78 ILE CA C 78 61.125 61.125 64.045 -2.920 25411 344 1 . 1 1 78 78 ILE CB C 78 37.135 37.135 36.978 0.157 25411 345 1 . 1 1 78 78 ILE H H 78 8.388 8.388 8.042 0.345 25411 346 1 . 1 1 79 79 ALA N N 79 123.960 123.960 123.243 0.717 25411 347 1 . 1 1 79 79 ALA HA H 79 3.890 3.890 4.002 -0.112 25411 348 1 . 1 1 79 79 ALA CA C 79 54.889 54.889 54.557 0.332 25411 349 1 . 1 1 79 79 ALA CB C 79 17.623 17.623 18.289 -0.666 25411 350 1 . 1 1 79 79 ALA H H 79 7.953 7.953 7.863 0.090 25411 351 1 . 1 1 80 80 PHE N N 80 114.330 114.330 114.827 -0.497 25411 352 1 . 1 1 80 80 PHE HA H 80 4.431 4.431 4.510 -0.079 25411 353 1 . 1 1 80 80 PHE CA C 80 61.312 61.312 59.902 1.410 25411 354 1 . 1 1 80 80 PHE CB C 80 37.656 37.656 39.219 -1.564 25411 355 1 . 1 1 80 80 PHE H H 80 7.499 7.499 8.162 -0.663 25411 356 1 . 1 1 81 81 SER N N 81 115.971 115.971 114.349 1.622 25411 357 1 . 1 1 81 81 SER HA H 81 4.206 4.206 4.429 -0.223 25411 358 1 . 1 1 81 81 SER CA C 81 58.432 58.432 59.493 -1.061 25411 359 1 . 1 1 81 81 SER CB C 81 63.575 63.575 63.603 -0.028 25411 360 1 . 1 1 81 81 SER H H 81 8.225 8.225 7.655 0.570 25411 361 1 . 1 1 82 82 TYR N N 82 121.997 121.997 123.006 -1.009 25411 362 1 . 1 1 82 82 TYR HA H 82 4.447 4.447 4.354 0.093 25411 363 1 . 1 1 82 82 TYR CA C 82 55.885 55.885 59.810 -3.925 25411 364 1 . 1 1 82 82 TYR CB C 82 37.838 37.838 38.416 -0.578 25411 365 1 . 1 1 82 82 TYR H H 82 8.378 8.378 7.562 0.816 25411 366 1 . 1 1 83 83 TRP N N 83 120.268 120.268 120.573 -0.305 25411 367 1 . 1 1 83 83 TRP CA C 83 57.393 57.393 61.214 -3.821 25411 368 1 . 1 1 83 83 TRP CB C 83 28.894 28.894 29.266 -0.372 25411 369 1 . 1 1 83 83 TRP H H 83 8.546 8.546 9.149 -0.603 25411 370 1 . 1 1 84 84 ASN HA H 84 4.220 4.220 4.169 0.051 25411 371 1 . 1 1 84 84 ASN CA C 84 56.629 56.629 56.372 0.257 25411 372 1 . 1 1 84 84 ASN CB C 84 39.065 39.065 37.869 1.196 25411 373 1 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.150 -0.104 25411 374 1 . 1 1 85 85 LEU CA C 85 58.142 58.142 57.051 1.091 25411 375 1 . 1 1 85 85 LEU CB C 85 41.692 41.692 41.910 -0.218 25411 376 1 . 1 1 86 86 ILE N N 86 117.000 117.000 120.017 -3.017 25411 377 1 . 1 1 86 86 ILE HA H 86 3.446 3.446 3.459 -0.013 25411 378 1 . 1 1 86 86 ILE CA C 86 61.283 61.283 63.660 -2.377 25411 379 1 . 1 1 86 86 ILE CB C 86 34.412 34.412 35.998 -1.586 25411 380 1 . 1 1 86 86 ILE H H 86 7.882 7.882 7.643 0.239 25411 381 1 . 1 1 87 87 LYS HA H 87 3.226 3.226 3.875 -0.649 25411 382 1 . 1 1 87 87 LYS CA C 87 59.996 59.996 59.120 0.876 25411 383 1 . 1 1 87 87 LYS CB C 87 31.050 31.050 31.909 -0.859 25411 384 1 . 1 1 88 88 GLU N N 88 116.404 116.404 117.670 -1.266 25411 385 1 . 1 1 88 88 GLU HA H 88 3.847 3.847 4.331 -0.484 25411 386 1 . 1 1 88 88 GLU CA C 88 58.911 58.911 58.238 0.673 25411 387 1 . 1 1 88 88 GLU CB C 88 28.969 28.969 29.223 -0.254 25411 388 1 . 1 1 88 88 GLU H H 88 7.689 7.689 7.672 0.017 25411 389 1 . 1 1 89 89 LEU N N 89 118.193 118.193 121.495 -3.302 25411 390 1 . 1 1 89 89 LEU HA H 89 3.889 3.889 4.143 -0.254 25411 391 1 . 1 1 89 89 LEU CA C 89 57.963 57.963 56.918 1.045 25411 392 1 . 1 1 89 89 LEU CB C 89 41.300 41.300 42.050 -0.750 25411 393 1 . 1 1 89 89 LEU H H 89 7.415 7.415 7.708 -0.293 25411 394 1 . 1 1 90 90 ILE N N 90 115.471 115.471 120.400 -4.929 25411 395 1 . 1 1 90 90 ILE HA H 90 3.418 3.418 3.666 -0.248 25411 396 1 . 1 1 90 90 ILE CA C 90 64.908 64.908 64.141 0.767 25411 397 1 . 1 1 90 90 ILE CB C 90 37.594 37.594 37.640 -0.046 25411 398 1 . 1 1 90 90 ILE H H 90 7.718 7.718 7.610 0.108 25411 399 1 . 1 1 91 91 ASP HA H 91 3.720 3.720 4.468 -0.748 25411 400 1 . 1 1 91 91 ASP CA C 91 57.664 57.664 56.978 0.686 25411 401 1 . 1 1 91 91 ASP CB C 91 40.532 40.532 40.207 0.325 25411 402 1 . 1 1 92 92 LYS N N 92 119.253 119.253 118.679 0.574 25411 403 1 . 1 1 92 92 LYS CA C 92 58.897 58.897 56.720 2.177 25411 404 1 . 1 1 92 92 LYS CB C 92 31.988 31.988 32.001 -0.013 25411 405 1 . 1 1 92 92 LYS H H 92 7.869 7.869 7.652 0.217 25411 406 1 . 1 1 93 93 LYS HA H 93 4.531 4.531 3.998 0.533 25411 407 1 . 1 1 93 93 LYS CA C 93 55.258 55.258 58.848 -3.590 25411 408 1 . 1 1 93 93 LYS CB C 93 32.169 32.169 32.001 0.168 25411 409 1 . 1 1 94 94 GLU N N 94 116.729 116.729 120.339 -3.610 25411 410 1 . 1 1 94 94 GLU HA H 94 4.133 4.133 4.097 0.036 25411 411 1 . 1 1 94 94 GLU CA C 94 59.319 59.319 58.955 0.365 25411 412 1 . 1 1 94 94 GLU CB C 94 27.375 27.375 29.211 -1.836 25411 413 1 . 1 1 94 94 GLU H H 94 8.393 8.393 7.914 0.479 25411 414 1 . 1 1 95 95 VAL N N 95 121.696 121.696 117.446 4.250 25411 415 1 . 1 1 95 95 VAL HA H 95 4.482 4.482 3.866 0.616 25411 416 1 . 1 1 95 95 VAL CA C 95 66.721 66.721 63.595 3.126 25411 417 1 . 1 1 95 95 VAL CB C 95 33.894 33.894 32.478 1.416 25411 418 1 . 1 1 95 95 VAL H H 95 7.923 7.923 7.715 0.208 25411 419 1 . 1 1 97 97 PRO HA H 97 4.358 4.358 4.664 -0.306 25411 420 1 . 1 1 97 97 PRO CA C 97 62.607 62.607 62.382 0.225 25411 421 1 . 1 1 97 97 PRO CB C 97 31.874 31.874 32.699 -0.825 25411 422 1 . 1 1 98 98 GLN N N 98 117.731 117.731 119.266 -1.535 25411 423 1 . 1 1 98 98 GLN HA H 98 3.925 3.925 4.047 -0.122 25411 424 1 . 1 1 98 98 GLN CA C 98 58.608 58.608 58.516 0.092 25411 425 1 . 1 1 98 98 GLN CB C 98 28.521 28.521 27.993 0.528 25411 426 1 . 1 1 98 98 GLN H H 98 8.359 8.359 8.604 -0.245 25411 427 1 . 1 1 99 99 VAL N N 99 121.326 121.326 118.139 3.187 25411 428 1 . 1 1 99 99 VAL HA H 99 3.420 3.420 3.756 -0.336 25411 429 1 . 1 1 99 99 VAL CA C 99 66.404 66.404 65.632 0.772 25411 430 1 . 1 1 99 99 VAL CB C 99 31.619 31.619 31.325 0.294 25411 431 1 . 1 1 99 99 VAL H H 99 7.901 7.901 8.153 -0.252 25411 432 1 . 1 1 100 100 MET N N 100 120.447 120.447 116.435 4.012 25411 433 1 . 1 1 100 100 MET HA H 100 3.812 3.812 4.354 -0.542 25411 434 1 . 1 1 100 100 MET CA C 100 59.297 59.297 57.567 1.730 25411 435 1 . 1 1 100 100 MET CB C 100 32.099 32.099 32.910 -0.811 25411 436 1 . 1 1 100 100 MET H H 100 7.509 7.509 7.601 -0.092 25411 437 1 . 1 1 101 101 ALA N N 101 119.458 119.458 121.590 -2.132 25411 438 1 . 1 1 101 101 ALA HA H 101 4.210 4.210 4.192 0.018 25411 439 1 . 1 1 101 101 ALA CA C 101 54.752 54.752 54.398 0.354 25411 440 1 . 1 1 101 101 ALA CB C 101 17.521 17.521 18.473 -0.952 25411 441 1 . 1 1 101 101 ALA H H 101 7.889 7.889 7.619 0.270 25411 442 1 . 1 1 102 102 ALA N N 102 119.627 119.627 121.094 -1.467 25411 443 1 . 1 1 102 102 ALA HA H 102 3.993 3.993 4.161 -0.168 25411 444 1 . 1 1 102 102 ALA CA C 102 54.888 54.888 54.451 0.437 25411 445 1 . 1 1 102 102 ALA CB C 102 17.344 17.344 18.425 -1.081 25411 446 1 . 1 1 102 102 ALA H H 102 7.563 7.563 8.319 -0.756 25411 447 1 . 1 1 103 103 VAL N N 103 122.690 122.690 118.332 4.358 25411 448 1 . 1 1 103 103 VAL HA H 103 4.073 4.073 3.906 0.167 25411 449 1 . 1 1 103 103 VAL CA C 103 61.685 61.685 65.421 -3.736 25411 450 1 . 1 1 103 103 VAL CB C 103 33.222 33.222 31.526 1.695 25411 451 1 . 1 1 103 103 VAL H H 103 8.828 8.828 7.839 0.989 25411 452 1 . 1 1 104 104 ALA N N 104 128.041 128.041 119.484 8.557 25411 453 1 . 1 1 104 104 ALA HA H 104 4.269 4.269 4.214 0.055 25411 454 1 . 1 1 104 104 ALA CA C 104 52.141 52.141 54.162 -2.021 25411 455 1 . 1 1 104 104 ALA CB C 104 18.940 18.940 18.258 0.682 25411 456 1 . 1 1 104 104 ALA H H 104 8.367 8.367 7.522 0.845 25411 457 1 . 1 1 105 105 GLN N N 105 120.265 120.265 116.086 4.179 25411 458 1 . 1 1 105 105 GLN CA C 105 56.931 56.931 56.929 0.002 25411 459 1 . 1 1 105 105 GLN CB C 105 29.020 29.020 30.292 -1.272 25411 460 1 . 1 1 105 105 GLN H H 105 8.356 8.356 7.791 0.565 25411 461 1 . 1 1 106 106 THR HA H 106 4.320 4.320 4.226 0.094 25411 462 1 . 1 1 106 106 THR CA C 106 61.346 61.346 64.281 -2.935 25411 463 1 . 1 1 106 106 THR CB C 106 69.293 69.293 69.233 0.060 25411 464 1 . 1 1 107 107 GLU N N 107 122.706 122.706 119.795 2.911 25411 465 1 . 1 1 107 107 GLU HA H 107 4.182 4.182 4.275 -0.093 25411 466 1 . 1 1 107 107 GLU CA C 107 56.576 56.576 57.479 -0.903 25411 467 1 . 1 1 107 107 GLU CB C 107 29.936 29.936 30.894 -0.958 25411 468 1 . 1 1 107 107 GLU H H 107 8.404 8.404 7.670 0.734 25411 469 1 . 1 1 108 108 GLU N N 108 122.034 122.034 117.294 4.740 25411 470 1 . 1 1 108 108 GLU HA H 108 4.161 4.161 4.078 0.083 25411 471 1 . 1 1 108 108 GLU CA C 108 56.649 56.649 57.334 -0.685 25411 472 1 . 1 1 108 108 GLU CB C 108 29.676 29.676 29.611 0.065 25411 473 1 . 1 1 108 108 GLU H H 108 7.341 7.341 7.963 -0.622 25411 474 1 . 1 1 109 109 ILE N N 109 122.151 122.151 117.086 5.065 25411 475 1 . 1 1 109 109 ILE HA H 109 4.047 4.047 4.119 -0.072 25411 476 1 . 1 1 109 109 ILE CA C 109 61.565 61.565 62.850 -1.285 25411 477 1 . 1 1 109 109 ILE CB C 109 38.104 38.104 37.979 0.125 25411 478 1 . 1 1 109 109 ILE H H 109 8.058 8.058 8.596 -0.538 25411 479 1 . 1 1 110 110 LEU N N 110 122.427 122.427 120.097 2.330 25411 480 1 . 1 1 110 110 LEU HA H 110 4.276 4.276 4.118 0.158 25411 481 1 . 1 1 110 110 LEU CA C 110 55.151 55.151 56.243 -1.092 25411 482 1 . 1 1 110 110 LEU CB C 110 32.255 32.255 40.955 -8.700 25411 483 1 . 1 1 110 110 LEU H H 110 8.194 8.194 7.984 0.210 25411 484 1 . 1 1 111 111 LYS HA H 111 4.247 4.247 4.164 0.083 25411 485 1 . 1 1 111 111 LYS CA C 111 56.137 56.137 57.743 -1.606 25411 486 1 . 1 1 111 111 LYS CB C 111 32.569 32.569 32.339 0.230 25411 487 1 . 1 1 112 112 SER N N 112 116.453 116.453 113.528 2.925 25411 488 1 . 1 1 112 112 SER HA H 112 4.175 4.175 4.100 0.075 25411 489 1 . 1 1 112 112 SER CA C 112 58.311 58.311 60.121 -1.810 25411 490 1 . 1 1 112 112 SER CB C 112 63.441 63.441 62.434 1.007 25411 491 1 . 1 1 112 112 SER H H 112 8.204 8.204 8.178 0.026 25411 492 1 . 1 1 113 113 ASN N N 113 119.747 119.747 116.219 3.528 25411 493 1 . 1 1 113 113 ASN HA H 113 4.644 4.644 4.685 -0.041 25411 494 1 . 1 1 113 113 ASN CA C 113 53.645 53.645 53.224 0.421 25411 495 1 . 1 1 113 113 ASN CB C 113 38.646 38.646 39.001 -0.355 25411 496 1 . 1 1 113 113 ASN H H 113 7.944 7.944 8.081 -0.137 25411 497 1 . 1 1 114 114 SER N N 114 115.433 115.433 114.440 0.993 25411 498 1 . 1 1 114 114 SER HA H 114 4.336 4.336 4.453 -0.116 25411 499 1 . 1 1 114 114 SER CA C 114 58.711 58.711 58.788 -0.077 25411 500 1 . 1 1 114 114 SER CB C 114 63.308 63.308 62.770 0.538 25411 501 1 . 1 1 114 114 SER H H 114 7.962 7.962 8.318 -0.356 25411 502 1 . 1 1 115 115 GLN N N 115 121.682 121.682 119.596 2.086 25411 503 1 . 1 1 115 115 GLN HA H 115 4.274 4.274 4.308 -0.034 25411 504 1 . 1 1 115 115 GLN CA C 115 56.193 56.193 56.479 -0.286 25411 505 1 . 1 1 115 115 GLN CB C 115 28.807 28.807 30.062 -1.255 25411 506 1 . 1 1 115 115 GLN H H 115 8.207 8.207 8.296 -0.089 25411 507 1 . 1 1 116 116 THR N N 116 114.715 114.715 109.134 5.581 25411 508 1 . 1 1 116 116 THR HA H 116 4.225 4.225 4.685 -0.460 25411 509 1 . 1 1 116 116 THR CA C 116 62.109 62.109 60.042 2.067 25411 510 1 . 1 1 116 116 THR CB C 116 69.336 69.336 71.612 -2.276 25411 511 1 . 1 1 116 116 THR H H 116 8.062 8.062 7.723 0.339 25411 512 1 . 1 1 117 117 ASP N N 117 122.602 122.602 121.659 0.943 25411 513 1 . 1 1 117 117 ASP HA H 117 4.568 4.568 4.361 0.207 25411 514 1 . 1 1 117 117 ASP CA C 117 54.204 54.204 56.415 -2.211 25411 515 1 . 1 1 117 117 ASP CB C 117 40.665 40.665 40.091 0.574 25411 516 1 . 1 1 117 117 ASP H H 117 8.065 8.065 8.821 -0.756 25411 517 1 . 1 1 118 118 LEU N N 118 122.140 122.140 119.660 2.480 25411 518 1 . 1 1 118 118 LEU HA H 118 4.155 4.155 4.094 0.061 25411 519 1 . 1 1 118 118 LEU CA C 118 55.423 55.423 54.641 0.782 25411 520 1 . 1 1 118 118 LEU CB C 118 41.873 41.873 41.177 0.696 25411 521 1 . 1 1 118 118 LEU H H 118 8.085 8.085 7.688 0.397 25411 522 1 . 1 1 119 119 GLU N N 119 119.672 119.672 117.114 2.558 25411 523 1 . 1 1 119 119 GLU HA H 119 4.068 4.068 3.907 0.161 25411 524 1 . 1 1 119 119 GLU CA C 119 56.565 56.565 57.341 -0.776 25411 525 1 . 1 1 119 119 GLU CB C 119 29.572 29.572 27.883 1.689 25411 526 1 . 1 1 119 119 GLU H H 119 8.143 8.143 7.831 0.312 25411 527 1 . 1 1 120 120 HIS N N 120 118.301 118.301 117.824 0.477 25411 528 1 . 1 1 120 120 HIS CA C 120 55.883 55.883 57.069 -1.186 25411 529 1 . 1 1 120 120 HIS CB C 120 29.270 29.270 29.423 -0.153 25411 530 1 . 1 1 120 120 HIS H H 120 8.107 8.107 7.938 0.169 25411 531 1 . 1 1 121 121 HIS HA H 121 4.008 4.008 4.677 -0.669 25411 532 1 . 1 1 121 121 HIS CA C 121 55.166 55.166 56.015 -0.849 25411 533 1 . 1 1 121 121 HIS CB C 121 28.759 28.759 29.773 -1.014 25411 534 1 . 1 1 122 122 HIS N N 122 122.407 122.407 118.493 3.914 25411 535 1 . 1 1 122 122 HIS HA H 122 4.218 4.218 4.753 -0.535 25411 536 1 . 1 1 122 122 HIS CA C 122 56.081 56.081 54.388 1.693 25411 537 1 . 1 1 122 122 HIS CB C 122 29.371 29.371 32.348 -2.977 25411 538 1 . 1 1 122 122 HIS H H 122 8.489 8.489 8.042 0.447 25411 539 1 . 1 1 123 123 HIS N N 123 122.868 122.868 119.295 3.573 25411 540 1 . 1 1 123 123 HIS HA H 123 4.387 4.387 4.322 0.065 25411 541 1 . 1 1 123 123 HIS CA C 123 56.310 56.310 56.883 -0.573 25411 542 1 . 1 1 123 123 HIS CB C 123 29.502 29.502 29.184 0.318 25411 543 1 . 1 1 123 123 HIS H H 123 8.596 8.596 8.445 0.151 25411 544 1 . 1 1 124 124 HIS N N 124 123.734 123.734 122.685 1.049 25411 545 1 . 1 1 124 124 HIS HA H 124 4.557 4.557 4.876 -0.319 25411 546 1 . 1 1 124 124 HIS CA C 124 55.385 55.385 54.221 1.164 25411 547 1 . 1 1 124 124 HIS CB C 124 29.358 29.358 28.756 0.602 25411 548 1 . 1 1 124 124 HIS H H 124 8.255 8.255 8.106 0.149 25411 stop_ save_