data_19151 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19151 _Entry.PDB_ID 2M6R 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 19151 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.547 -0.318 19151 2 1 1 . 1 1 2 2 ALA C C 2 173.315 173.315 175.506 -2.191 19151 3 1 1 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.414 0.166 19151 4 1 1 . 1 1 2 2 ALA CB C 2 20.223 20.223 20.562 -0.339 19151 5 1 1 . 1 1 3 3 GLU N N 3 121.874 121.874 118.282 3.592 19151 6 1 1 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.337 -0.063 19151 7 1 1 . 1 1 3 3 GLU C C 3 174.545 174.545 175.379 -0.834 19151 8 1 1 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.378 0.472 19151 9 1 1 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.340 -0.620 19151 10 1 1 . 1 1 3 3 GLU H H 3 8.696 8.696 8.475 0.221 19151 11 1 1 . 1 1 4 4 ILE N N 4 120.672 120.672 125.159 -4.487 19151 12 1 1 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.787 0.322 19151 13 1 1 . 1 1 4 4 ILE C C 4 175.463 175.463 175.031 0.432 19151 14 1 1 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.117 -0.284 19151 15 1 1 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.047 3.623 19151 16 1 1 . 1 1 4 4 ILE H H 4 8.860 8.860 8.854 0.006 19151 17 1 1 . 1 1 5 5 GLY N N 5 119.310 119.310 114.957 4.353 19151 18 1 1 . 1 1 5 5 GLY C C 5 171.260 171.260 172.798 -1.538 19151 19 1 1 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.460 0.360 19151 20 1 1 . 1 1 5 5 GLY H H 5 8.469 8.469 8.040 0.429 19151 21 1 1 . 1 1 6 6 ILE N N 6 126.915 126.915 126.460 0.455 19151 22 1 1 . 1 1 6 6 ILE HA H 6 5.190 5.190 4.962 0.228 19151 23 1 1 . 1 1 6 6 ILE C C 6 173.901 173.901 174.340 -0.439 19151 24 1 1 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.556 -0.556 19151 25 1 1 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.552 -1.552 19151 26 1 1 . 1 1 6 6 ILE H H 6 9.056 9.056 9.062 -0.006 19151 27 1 1 . 1 1 7 7 PHE N N 7 127.354 127.354 127.145 0.209 19151 28 1 1 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.234 -0.722 19151 29 1 1 . 1 1 7 7 PHE C C 7 174.230 174.230 174.644 -0.414 19151 30 1 1 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.609 1.800 19151 31 1 1 . 1 1 7 7 PHE CB C 7 41.728 41.728 41.484 0.244 19151 32 1 1 . 1 1 7 7 PHE H H 7 8.960 8.960 9.376 -0.415 19151 33 1 1 . 1 1 8 8 VAL N N 8 127.270 127.270 124.458 2.812 19151 34 1 1 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.091 -0.031 19151 35 1 1 . 1 1 8 8 VAL C C 8 175.450 175.450 175.839 -0.389 19151 36 1 1 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.035 1.165 19151 37 1 1 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.231 0.206 19151 38 1 1 . 1 1 8 8 VAL H H 8 8.581 8.581 8.004 0.577 19151 39 1 1 . 1 1 9 9 GLY N N 9 115.000 115.000 118.424 -3.424 19151 40 1 1 . 1 1 9 9 GLY C C 9 173.150 173.150 172.539 0.611 19151 41 1 1 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.950 0.050 19151 42 1 1 . 1 1 9 9 GLY H H 9 9.393 9.393 9.169 0.224 19151 43 1 1 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.522 0.173 19151 44 1 1 . 1 1 12 12 TYR C C 12 176.560 176.560 176.509 0.051 19151 45 1 1 . 1 1 12 12 TYR CA C 12 57.750 57.750 57.591 0.159 19151 46 1 1 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.216 -0.216 19151 47 1 1 . 1 1 13 13 GLY N N 13 109.870 109.870 112.132 -2.262 19151 48 1 1 . 1 1 13 13 GLY C C 13 175.930 175.930 175.129 0.801 19151 49 1 1 . 1 1 13 13 GLY CA C 13 46.000 46.000 45.440 0.560 19151 50 1 1 . 1 1 13 13 GLY H H 13 8.500 8.500 8.900 -0.400 19151 51 1 1 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.492 -0.262 19151 52 1 1 . 1 1 17 17 LEU C C 17 179.210 179.210 177.456 1.754 19151 53 1 1 . 1 1 17 17 LEU CA C 17 58.400 58.400 55.549 2.851 19151 54 1 1 . 1 1 17 17 LEU CB C 17 41.300 41.300 42.892 -1.592 19151 55 1 1 . 1 1 18 18 VAL N N 18 117.231 117.231 121.175 -3.944 19151 56 1 1 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.768 -0.445 19151 57 1 1 . 1 1 18 18 VAL C C 18 178.460 178.460 178.176 0.284 19151 58 1 1 . 1 1 18 18 VAL CA C 18 66.866 66.866 65.722 1.144 19151 59 1 1 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.831 0.629 19151 60 1 1 . 1 1 18 18 VAL H H 18 7.645 7.645 8.152 -0.507 19151 61 1 1 . 1 1 19 19 ALA N N 19 121.820 121.820 122.217 -0.397 19151 62 1 1 . 1 1 19 19 ALA HA H 19 3.816 3.816 4.067 -0.251 19151 63 1 1 . 1 1 19 19 ALA C C 19 178.180 178.180 179.718 -1.538 19151 64 1 1 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.392 0.184 19151 65 1 1 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.072 1.928 19151 66 1 1 . 1 1 19 19 ALA H H 19 8.010 8.010 8.515 -0.505 19151 67 1 1 . 1 1 20 20 GLU N N 20 118.960 118.960 118.162 0.798 19151 68 1 1 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.001 0.015 19151 69 1 1 . 1 1 20 20 GLU C C 20 180.950 180.950 179.429 1.521 19151 70 1 1 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.299 0.367 19151 71 1 1 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.351 -0.051 19151 72 1 1 . 1 1 20 20 GLU H H 20 8.700 8.700 8.009 0.691 19151 73 1 1 . 1 1 21 21 GLU N N 21 121.371 121.371 119.873 1.498 19151 74 1 1 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.103 -0.059 19151 75 1 1 . 1 1 21 21 GLU C C 21 179.419 179.419 178.881 0.538 19151 76 1 1 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.267 0.043 19151 77 1 1 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.321 0.240 19151 78 1 1 . 1 1 21 21 GLU H H 21 8.632 8.632 7.931 0.701 19151 79 1 1 . 1 1 22 22 ALA N N 22 121.329 121.329 122.843 -1.514 19151 80 1 1 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.084 -0.026 19151 81 1 1 . 1 1 22 22 ALA C C 22 178.823 178.823 179.394 -0.571 19151 82 1 1 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.562 -0.885 19151 83 1 1 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.174 -0.531 19151 84 1 1 . 1 1 22 22 ALA H H 22 8.182 8.182 8.579 -0.397 19151 85 1 1 . 1 1 23 23 GLU N N 23 119.035 119.035 119.193 -0.158 19151 86 1 1 . 1 1 23 23 GLU HA H 23 3.404 3.404 3.983 -0.579 19151 87 1 1 . 1 1 23 23 GLU C C 23 178.375 178.375 178.580 -0.205 19151 88 1 1 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.727 0.581 19151 89 1 1 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.626 -0.696 19151 90 1 1 . 1 1 23 23 GLU H H 23 8.387 8.387 8.392 -0.005 19151 91 1 1 . 1 1 24 24 ALA N N 24 122.207 122.207 121.862 0.345 19151 92 1 1 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.111 -0.081 19151 93 1 1 . 1 1 24 24 ALA C C 24 181.132 181.132 179.863 1.269 19151 94 1 1 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.078 0.409 19151 95 1 1 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.652 -0.652 19151 96 1 1 . 1 1 24 24 ALA H H 24 7.535 7.535 7.671 -0.136 19151 97 1 1 . 1 1 25 25 ILE N N 25 121.059 121.059 120.230 0.829 19151 98 1 1 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.694 -0.030 19151 99 1 1 . 1 1 25 25 ILE C C 25 178.419 178.419 177.927 0.492 19151 100 1 1 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.037 -0.929 19151 101 1 1 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.082 0.881 19151 102 1 1 . 1 1 25 25 ILE H H 25 7.800 7.800 8.531 -0.731 19151 103 1 1 . 1 1 26 26 LEU N N 26 119.307 119.307 120.483 -1.176 19151 104 1 1 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.202 -0.026 19151 105 1 1 . 1 1 26 26 LEU C C 26 179.863 179.863 179.809 0.054 19151 106 1 1 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.334 -0.388 19151 107 1 1 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.359 -0.219 19151 108 1 1 . 1 1 26 26 LEU H H 26 8.509 8.509 8.601 -0.092 19151 109 1 1 . 1 1 27 27 THR N N 27 117.830 117.830 116.186 1.644 19151 110 1 1 . 1 1 27 27 THR HA H 27 4.524 4.524 4.287 0.237 19151 111 1 1 . 1 1 27 27 THR C C 27 179.027 179.027 176.277 2.750 19151 112 1 1 . 1 1 27 27 THR CA C 27 66.000 66.000 66.580 -0.580 19151 113 1 1 . 1 1 27 27 THR CB C 27 68.600 68.600 68.506 0.094 19151 114 1 1 . 1 1 27 27 THR H H 27 8.796 8.796 8.448 0.348 19151 115 1 1 . 1 1 28 28 ALA N N 28 126.313 126.313 122.676 3.637 19151 116 1 1 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.158 0.047 19151 117 1 1 . 1 1 28 28 ALA C C 28 179.360 179.360 179.539 -0.179 19151 118 1 1 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.394 0.606 19151 119 1 1 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.249 -0.599 19151 120 1 1 . 1 1 28 28 ALA H H 28 7.832 7.832 7.967 -0.135 19151 121 1 1 . 1 1 29 29 GLN N N 29 115.527 115.527 116.661 -1.134 19151 122 1 1 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.167 -0.040 19151 123 1 1 . 1 1 29 29 GLN C C 29 176.547 176.547 176.603 -0.056 19151 124 1 1 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.573 -0.010 19151 125 1 1 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.581 -0.171 19151 126 1 1 . 1 1 29 29 GLN H H 29 7.353 7.353 8.368 -1.015 19151 127 1 1 . 1 1 30 30 GLY N N 30 105.961 105.961 106.618 -0.657 19151 128 1 1 . 1 1 30 30 GLY C C 30 174.785 174.785 173.089 1.696 19151 129 1 1 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.517 -0.017 19151 130 1 1 . 1 1 30 30 GLY H H 30 7.923 7.923 7.762 0.161 19151 131 1 1 . 1 1 31 31 HIS N N 31 119.471 119.471 117.559 1.912 19151 132 1 1 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.885 -0.050 19151 133 1 1 . 1 1 31 31 HIS C C 31 174.665 174.665 174.001 0.664 19151 134 1 1 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.306 1.536 19151 135 1 1 . 1 1 31 31 HIS CB C 31 32.000 32.000 32.093 -0.093 19151 136 1 1 . 1 1 31 31 HIS H H 31 7.558 7.558 8.131 -0.573 19151 137 1 1 . 1 1 32 32 LYS N N 32 121.854 121.854 123.656 -1.802 19151 138 1 1 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.425 0.298 19151 139 1 1 . 1 1 32 32 LYS C C 32 174.466 174.466 174.942 -0.476 19151 140 1 1 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.905 -0.040 19151 141 1 1 . 1 1 32 32 LYS CB C 32 32.960 32.960 31.267 1.693 19151 142 1 1 . 1 1 32 32 LYS H H 32 8.665 8.665 8.820 -0.155 19151 143 1 1 . 1 1 33 33 ALA N N 33 130.188 130.188 128.930 1.258 19151 144 1 1 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.467 0.351 19151 145 1 1 . 1 1 33 33 ALA C C 33 175.567 175.567 176.817 -1.250 19151 146 1 1 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.818 -0.842 19151 147 1 1 . 1 1 33 33 ALA CB C 33 22.297 22.297 20.983 1.314 19151 148 1 1 . 1 1 33 33 ALA H H 33 8.837 8.837 7.899 0.938 19151 149 1 1 . 1 1 34 34 THR N N 34 117.164 117.164 117.896 -0.732 19151 150 1 1 . 1 1 34 34 THR HA H 34 4.359 4.359 4.689 -0.330 19151 151 1 1 . 1 1 34 34 THR C C 34 171.315 171.315 173.381 -2.066 19151 152 1 1 . 1 1 34 34 THR CA C 34 61.840 61.840 61.601 0.239 19151 153 1 1 . 1 1 34 34 THR CB C 34 71.800 71.800 72.507 -0.707 19151 154 1 1 . 1 1 34 34 THR H H 34 7.826 7.826 8.863 -1.037 19151 155 1 1 . 1 1 35 35 VAL N N 35 126.650 126.650 125.218 1.432 19151 156 1 1 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.364 -0.181 19151 157 1 1 . 1 1 35 35 VAL C C 35 174.675 174.675 175.308 -0.633 19151 158 1 1 . 1 1 35 35 VAL CA C 35 61.928 61.928 62.523 -0.595 19151 159 1 1 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.174 0.476 19151 160 1 1 . 1 1 35 35 VAL H H 35 8.496 8.496 8.756 -0.260 19151 161 1 1 . 1 1 36 36 PHE N N 36 127.630 127.630 127.673 -0.043 19151 162 1 1 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.746 -0.195 19151 163 1 1 . 1 1 36 36 PHE C C 36 174.347 174.347 174.684 -0.337 19151 164 1 1 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.673 0.809 19151 165 1 1 . 1 1 36 36 PHE CB C 36 40.165 40.165 41.005 -0.841 19151 166 1 1 . 1 1 36 36 PHE H H 36 9.164 9.164 9.198 -0.034 19151 167 1 1 . 1 1 37 37 GLU N N 37 123.516 123.516 124.729 -1.213 19151 168 1 1 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.537 -0.067 19151 169 1 1 . 1 1 37 37 GLU C C 37 175.954 175.954 175.899 0.055 19151 170 1 1 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.324 -0.605 19151 171 1 1 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.993 0.467 19151 172 1 1 . 1 1 37 37 GLU H H 37 8.455 8.455 8.648 -0.193 19151 173 1 1 . 1 1 38 38 ASP N N 38 120.395 120.395 119.784 0.611 19151 174 1 1 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.527 0.306 19151 175 1 1 . 1 1 38 38 ASP C C 38 173.920 173.920 174.609 -0.689 19151 176 1 1 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.492 -0.015 19151 177 1 1 . 1 1 38 38 ASP CB C 38 40.604 40.604 39.651 0.953 19151 178 1 1 . 1 1 38 38 ASP H H 38 9.602 9.602 8.658 0.944 19151 179 1 1 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.494 0.186 19151 180 1 1 . 1 1 39 39 PRO C C 39 176.274 176.274 175.909 0.365 19151 181 1 1 . 1 1 39 39 PRO CA C 39 62.984 62.984 64.119 -1.135 19151 182 1 1 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.530 1.870 19151 183 1 1 . 1 1 40 40 GLU N N 40 119.026 119.026 122.836 -3.810 19151 184 1 1 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.503 0.225 19151 185 1 1 . 1 1 40 40 GLU C C 40 177.827 177.827 177.159 0.668 19151 186 1 1 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.105 -1.135 19151 187 1 1 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.346 2.054 19151 188 1 1 . 1 1 40 40 GLU H H 40 9.178 9.178 8.795 0.383 19151 189 1 1 . 1 1 41 41 LEU N N 41 123.708 123.708 125.562 -1.854 19151 190 1 1 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.136 -0.242 19151 191 1 1 . 1 1 41 41 LEU C C 41 178.730 178.730 178.169 0.561 19151 192 1 1 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.685 0.722 19151 193 1 1 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.838 -0.185 19151 194 1 1 . 1 1 41 41 LEU H H 41 9.160 9.160 8.849 0.311 19151 195 1 1 . 1 1 42 42 SER N N 42 110.500 110.500 114.407 -3.907 19151 196 1 1 . 1 1 42 42 SER HA H 42 4.010 4.010 4.282 -0.272 19151 197 1 1 . 1 1 42 42 SER C C 42 176.300 176.300 175.007 1.293 19151 198 1 1 . 1 1 42 42 SER CA C 42 61.600 61.600 60.755 0.845 19151 199 1 1 . 1 1 42 42 SER CB C 42 62.140 62.140 62.830 -0.690 19151 200 1 1 . 1 1 42 42 SER H H 42 8.415 8.415 8.575 -0.160 19151 201 1 1 . 1 1 43 43 ASP N N 43 119.770 119.770 120.818 -1.048 19151 202 1 1 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.768 -0.311 19151 203 1 1 . 1 1 43 43 ASP C C 43 176.150 176.150 176.321 -0.171 19151 204 1 1 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.274 1.476 19151 205 1 1 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.296 1.404 19151 206 1 1 . 1 1 43 43 ASP H H 43 7.690 7.690 7.806 -0.116 19151 207 1 1 . 1 1 44 44 TRP N N 44 118.500 118.500 121.171 -2.671 19151 208 1 1 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.360 -0.150 19151 209 1 1 . 1 1 44 44 TRP C C 44 177.150 177.150 177.599 -0.449 19151 210 1 1 . 1 1 44 44 TRP CA C 44 59.387 59.387 59.080 0.307 19151 211 1 1 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.326 -0.016 19151 212 1 1 . 1 1 44 44 TRP H H 44 7.464 7.464 7.506 -0.042 19151 213 1 1 . 1 1 45 45 LEU N N 45 114.100 114.100 120.617 -6.517 19151 214 1 1 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.061 0.114 19151 215 1 1 . 1 1 45 45 LEU C C 45 176.300 176.300 175.819 0.481 19151 216 1 1 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.149 -0.589 19151 217 1 1 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.288 -0.069 19151 218 1 1 . 1 1 45 45 LEU H H 45 7.550 7.550 8.411 -0.861 19151 219 1 1 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.079 0.301 19151 220 1 1 . 1 1 46 46 PRO C C 46 176.799 176.799 177.572 -0.773 19151 221 1 1 . 1 1 46 46 PRO CA C 46 65.287 65.287 65.443 -0.156 19151 222 1 1 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.077 0.523 19151 223 1 1 . 1 1 47 47 TYR N N 47 113.790 113.790 115.021 -1.231 19151 224 1 1 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.659 -0.539 19151 225 1 1 . 1 1 47 47 TYR C C 47 175.730 175.730 178.048 -2.318 19151 226 1 1 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.335 1.865 19151 227 1 1 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.585 0.431 19151 228 1 1 . 1 1 47 47 TYR H H 47 8.291 8.291 8.188 0.103 19151 229 1 1 . 1 1 48 48 GLN N N 48 116.524 116.524 120.334 -3.810 19151 230 1 1 . 1 1 48 48 GLN HA H 48 3.885 3.885 4.015 -0.130 19151 231 1 1 . 1 1 48 48 GLN C C 48 174.381 174.381 176.046 -1.665 19151 232 1 1 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.527 0.299 19151 233 1 1 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.781 2.219 19151 234 1 1 . 1 1 48 48 GLN H H 48 7.300 7.300 7.446 -0.146 19151 235 1 1 . 1 1 49 49 ASP N N 49 114.657 114.657 113.280 1.377 19151 236 1 1 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.763 -0.076 19151 237 1 1 . 1 1 49 49 ASP C C 49 176.307 176.307 175.089 1.218 19151 238 1 1 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.725 -1.990 19151 239 1 1 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.184 -0.984 19151 240 1 1 . 1 1 49 49 ASP H H 49 7.854 7.854 8.313 -0.459 19151 241 1 1 . 1 1 50 50 LYS N N 50 123.514 123.514 118.460 5.054 19151 242 1 1 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.540 0.050 19151 243 1 1 . 1 1 50 50 LYS C C 50 172.964 172.964 175.198 -2.234 19151 244 1 1 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.032 -0.339 19151 245 1 1 . 1 1 50 50 LYS CB C 50 33.500 33.500 36.037 -2.537 19151 246 1 1 . 1 1 50 50 LYS H H 50 7.833 7.833 7.531 0.302 19151 247 1 1 . 1 1 51 51 TYR N N 51 118.375 118.375 115.917 2.458 19151 248 1 1 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.827 0.228 19151 249 1 1 . 1 1 51 51 TYR C C 51 175.875 175.875 176.115 -0.240 19151 250 1 1 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.659 0.762 19151 251 1 1 . 1 1 51 51 TYR CB C 51 42.477 42.477 40.938 1.539 19151 252 1 1 . 1 1 51 51 TYR H H 51 7.745 7.745 7.934 -0.189 19151 253 1 1 . 1 1 52 52 VAL N N 52 112.527 112.527 115.175 -2.648 19151 254 1 1 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.862 0.638 19151 255 1 1 . 1 1 52 52 VAL C C 52 173.910 173.910 174.120 -0.210 19151 256 1 1 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.919 -2.223 19151 257 1 1 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.284 1.208 19151 258 1 1 . 1 1 52 52 VAL H H 52 8.673 8.673 8.491 0.182 19151 259 1 1 . 1 1 53 53 LEU N N 53 124.294 124.294 123.885 0.409 19151 260 1 1 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.337 -0.437 19151 261 1 1 . 1 1 53 53 LEU C C 53 175.070 175.070 174.645 0.425 19151 262 1 1 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.464 -0.898 19151 263 1 1 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.416 -1.186 19151 264 1 1 . 1 1 53 53 LEU H H 53 9.137 9.137 9.196 -0.059 19151 265 1 1 . 1 1 54 54 VAL N N 54 127.850 127.850 127.161 0.689 19151 266 1 1 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.659 -0.149 19151 267 1 1 . 1 1 54 54 VAL C C 54 174.030 174.030 174.168 -0.138 19151 268 1 1 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.432 0.393 19151 269 1 1 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.693 -1.002 19151 270 1 1 . 1 1 54 54 VAL H H 54 8.619 8.619 8.943 -0.324 19151 271 1 1 . 1 1 55 55 VAL N N 55 127.181 127.181 128.365 -1.184 19151 272 1 1 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.831 0.254 19151 273 1 1 . 1 1 55 55 VAL C C 55 174.942 174.942 174.541 0.401 19151 274 1 1 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.365 -0.296 19151 275 1 1 . 1 1 55 55 VAL CB C 55 33.222 33.222 32.394 0.828 19151 276 1 1 . 1 1 55 55 VAL H H 55 8.578 8.578 8.728 -0.150 19151 277 1 1 . 1 1 56 56 THR N N 56 117.420 117.420 123.118 -5.698 19151 278 1 1 . 1 1 56 56 THR HA H 56 5.590 5.590 4.891 0.699 19151 279 1 1 . 1 1 56 56 THR C C 56 172.640 172.640 172.656 -0.016 19151 280 1 1 . 1 1 56 56 THR CA C 56 59.359 59.359 61.167 -1.808 19151 281 1 1 . 1 1 56 56 THR CB C 56 70.715 70.715 70.144 0.571 19151 282 1 1 . 1 1 56 56 THR H H 56 8.710 8.710 8.959 -0.249 19151 283 1 1 . 1 1 57 57 SER HA H 57 5.250 5.250 5.087 0.163 19151 284 1 1 . 1 1 57 57 SER CA C 57 57.730 57.730 57.081 0.649 19151 285 1 1 . 1 1 57 57 SER CB C 57 64.500 64.500 64.106 0.394 19151 286 1 1 . 1 1 57 57 SER H H 57 8.075 8.075 8.000 0.075 19151 287 1 1 . 1 1 58 58 THR H H 58 7.900 7.900 8.625 -0.725 19151 288 1 1 . 1 1 59 59 THR HA H 59 4.900 4.900 3.940 0.960 19151 289 1 1 . 1 1 59 59 THR CA C 59 61.200 61.200 66.146 -4.946 19151 290 1 1 . 1 1 59 59 THR CB C 59 73.400 73.400 69.008 4.392 19151 291 1 1 . 1 1 59 59 THR H H 59 9.230 9.230 7.483 1.747 19151 292 1 1 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.433 1.067 19151 293 1 1 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.118 0.288 19151 294 1 1 . 1 1 61 61 GLN C C 61 175.950 175.950 176.175 -0.225 19151 295 1 1 . 1 1 61 61 GLN CA C 61 55.350 55.350 55.857 -0.507 19151 296 1 1 . 1 1 61 61 GLN CB C 61 29.160 29.160 29.090 0.070 19151 297 1 1 . 1 1 62 62 GLY N N 62 108.420 108.420 107.766 0.654 19151 298 1 1 . 1 1 62 62 GLY C C 62 173.134 173.134 173.178 -0.044 19151 299 1 1 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.812 0.973 19151 300 1 1 . 1 1 62 62 GLY H H 62 8.073 8.073 7.813 0.260 19151 301 1 1 . 1 1 63 63 ASP N N 63 118.400 118.400 118.567 -0.167 19151 302 1 1 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.763 0.017 19151 303 1 1 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.253 1.043 19151 304 1 1 . 1 1 63 63 ASP CB C 63 42.740 42.740 43.708 -0.968 19151 305 1 1 . 1 1 63 63 ASP H H 63 7.248 7.248 8.436 -1.188 19151 306 1 1 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.507 -0.107 19151 307 1 1 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.817 1.333 19151 308 1 1 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.620 -0.933 19151 309 1 1 . 1 1 64 64 LEU H H 64 8.445 8.445 8.180 0.265 19151 310 1 1 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.483 -0.190 19151 311 1 1 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.246 0.098 19151 312 1 1 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.821 -0.341 19151 313 1 1 . 1 1 66 66 ASP N N 66 121.200 121.200 120.785 0.415 19151 314 1 1 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.334 -0.074 19151 315 1 1 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.376 1.254 19151 316 1 1 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.588 0.212 19151 317 1 1 . 1 1 66 66 ASP H H 66 8.605 8.605 8.778 -0.173 19151 318 1 1 . 1 1 67 67 SER HA H 67 4.292 4.292 4.271 0.021 19151 319 1 1 . 1 1 67 67 SER C C 67 175.650 175.650 175.062 0.588 19151 320 1 1 . 1 1 67 67 SER CA C 67 60.500 60.500 60.456 0.044 19151 321 1 1 . 1 1 67 67 SER CB C 67 63.530 63.530 63.514 0.016 19151 322 1 1 . 1 1 68 68 ILE N N 68 120.550 120.550 120.474 0.076 19151 323 1 1 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.441 0.669 19151 324 1 1 . 1 1 68 68 ILE C C 68 174.713 174.713 176.413 -1.700 19151 325 1 1 . 1 1 68 68 ILE CA C 68 60.400 60.400 61.061 -0.661 19151 326 1 1 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.445 3.795 19151 327 1 1 . 1 1 68 68 ILE H H 68 7.870 7.870 7.654 0.216 19151 328 1 1 . 1 1 69 69 VAL N N 69 125.740 125.740 123.657 2.083 19151 329 1 1 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.727 0.018 19151 330 1 1 . 1 1 69 69 VAL C C 69 174.500 174.500 174.767 -0.267 19151 331 1 1 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.608 -1.058 19151 332 1 1 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.132 0.998 19151 333 1 1 . 1 1 69 69 VAL H H 69 7.428 7.428 8.287 -0.859 19151 334 1 1 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.289 0.003 19151 335 1 1 . 1 1 70 70 PRO C C 70 180.820 180.820 178.941 1.879 19151 336 1 1 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.077 0.393 19151 337 1 1 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.187 -0.530 19151 338 1 1 . 1 1 71 71 LEU N N 71 119.467 119.467 120.647 -1.180 19151 339 1 1 . 1 1 71 71 LEU HA H 71 3.845 3.845 3.950 -0.105 19151 340 1 1 . 1 1 71 71 LEU C C 71 176.489 176.489 178.374 -1.885 19151 341 1 1 . 1 1 71 71 LEU CA C 71 58.207 58.207 58.025 0.182 19151 342 1 1 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.578 -0.092 19151 343 1 1 . 1 1 71 71 LEU H H 71 7.918 7.918 7.660 0.258 19151 344 1 1 . 1 1 72 72 PHE N N 72 119.361 119.361 119.323 0.038 19151 345 1 1 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.367 -0.222 19151 346 1 1 . 1 1 72 72 PHE C C 72 175.968 175.968 177.116 -1.148 19151 347 1 1 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.727 0.094 19151 348 1 1 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.671 0.876 19151 349 1 1 . 1 1 72 72 PHE H H 72 7.903 7.903 8.650 -0.747 19151 350 1 1 . 1 1 73 73 GLN N N 73 116.100 116.100 116.981 -0.881 19151 351 1 1 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.787 -0.260 19151 352 1 1 . 1 1 73 73 GLN C C 73 177.871 177.871 178.708 -0.837 19151 353 1 1 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.851 -0.711 19151 354 1 1 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.084 0.063 19151 355 1 1 . 1 1 73 73 GLN H H 73 9.042 9.042 8.652 0.390 19151 356 1 1 . 1 1 74 74 GLY N N 74 107.110 107.110 108.219 -1.109 19151 357 1 1 . 1 1 74 74 GLY C C 74 175.894 175.894 176.401 -0.507 19151 358 1 1 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.782 0.498 19151 359 1 1 . 1 1 74 74 GLY H H 74 8.045 8.045 8.037 0.008 19151 360 1 1 . 1 1 75 75 ILE N N 75 123.629 123.629 122.786 0.843 19151 361 1 1 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.338 -0.288 19151 362 1 1 . 1 1 75 75 ILE C C 75 178.622 178.622 177.055 1.567 19151 363 1 1 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.791 0.466 19151 364 1 1 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.419 0.549 19151 365 1 1 . 1 1 75 75 ILE H H 75 8.174 8.174 8.072 0.102 19151 366 1 1 . 1 1 76 76 LYS N N 76 119.363 119.363 118.182 1.181 19151 367 1 1 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.766 -0.461 19151 368 1 1 . 1 1 76 76 LYS C C 76 177.909 177.909 178.207 -0.298 19151 369 1 1 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.190 0.516 19151 370 1 1 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.932 0.418 19151 371 1 1 . 1 1 76 76 LYS H H 76 7.600 7.600 7.465 0.135 19151 372 1 1 . 1 1 77 77 ASP N N 77 115.190 115.190 117.581 -2.391 19151 373 1 1 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.596 -0.114 19151 374 1 1 . 1 1 77 77 ASP C C 77 178.825 178.825 177.906 0.919 19151 375 1 1 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.854 0.426 19151 376 1 1 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.845 -0.655 19151 377 1 1 . 1 1 77 77 ASP H H 77 8.482 8.482 8.206 0.276 19151 378 1 1 . 1 1 78 78 SER N N 78 112.576 112.576 115.824 -3.248 19151 379 1 1 . 1 1 78 78 SER HA H 78 4.728 4.728 4.418 0.309 19151 380 1 1 . 1 1 78 78 SER C C 78 174.556 174.556 174.784 -0.228 19151 381 1 1 . 1 1 78 78 SER CA C 78 60.045 60.045 60.200 -0.155 19151 382 1 1 . 1 1 78 78 SER CB C 78 64.643 64.643 64.084 0.559 19151 383 1 1 . 1 1 78 78 SER H H 78 8.273 8.273 7.943 0.330 19151 384 1 1 . 1 1 79 79 LEU N N 79 120.833 120.833 120.730 0.103 19151 385 1 1 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.436 0.379 19151 386 1 1 . 1 1 79 79 LEU C C 79 176.251 176.251 179.133 -2.882 19151 387 1 1 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.504 -2.544 19151 388 1 1 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.144 -2.948 19151 389 1 1 . 1 1 79 79 LEU H H 79 7.025 7.025 7.553 -0.528 19151 390 1 1 . 1 1 80 80 GLY N N 80 108.861 108.861 107.001 1.860 19151 391 1 1 . 1 1 80 80 GLY C C 80 173.623 173.623 173.589 0.034 19151 392 1 1 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.593 -0.364 19151 393 1 1 . 1 1 80 80 GLY H H 80 7.499 7.499 8.352 -0.853 19151 394 1 1 . 1 1 81 81 PHE N N 81 121.441 121.441 120.605 0.836 19151 395 1 1 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.827 0.233 19151 396 1 1 . 1 1 81 81 PHE C C 81 174.411 174.411 172.601 1.810 19151 397 1 1 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.224 -0.013 19151 398 1 1 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.446 -0.826 19151 399 1 1 . 1 1 81 81 PHE H H 81 8.018 8.018 7.478 0.540 19151 400 1 1 . 1 1 82 82 GLN N N 82 126.480 126.480 123.892 2.588 19151 401 1 1 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.599 0.291 19151 402 1 1 . 1 1 82 82 GLN C C 82 172.700 172.700 173.212 -0.512 19151 403 1 1 . 1 1 82 82 GLN CA C 82 54.177 54.177 51.892 2.285 19151 404 1 1 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.780 1.820 19151 405 1 1 . 1 1 82 82 GLN H H 82 9.588 9.588 7.471 2.117 19151 406 1 1 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.274 0.099 19151 407 1 1 . 1 1 83 83 PRO C C 83 178.163 178.163 176.634 1.529 19151 408 1 1 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.193 -0.502 19151 409 1 1 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.578 -0.713 19151 410 1 1 . 1 1 84 84 ASN N N 84 116.900 116.900 114.337 2.563 19151 411 1 1 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.910 -0.141 19151 412 1 1 . 1 1 84 84 ASN C C 84 173.332 173.332 173.804 -0.472 19151 413 1 1 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.565 -0.004 19151 414 1 1 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.620 -1.360 19151 415 1 1 . 1 1 84 84 ASN H H 84 8.578 8.578 8.245 0.333 19151 416 1 1 . 1 1 85 85 LEU N N 85 124.380 124.380 123.120 1.260 19151 417 1 1 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.470 -0.424 19151 418 1 1 . 1 1 85 85 LEU C C 85 175.880 175.880 175.600 0.280 19151 419 1 1 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.754 1.089 19151 420 1 1 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.381 -1.081 19151 421 1 1 . 1 1 85 85 LEU H H 85 7.240 7.240 7.672 -0.432 19151 422 1 1 . 1 1 86 86 ARG N N 86 128.715 128.715 124.239 4.476 19151 423 1 1 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.050 0.744 19151 424 1 1 . 1 1 86 86 ARG C C 86 175.554 175.554 174.495 1.059 19151 425 1 1 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.317 0.125 19151 426 1 1 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.348 -1.475 19151 427 1 1 . 1 1 86 86 ARG H H 86 7.732 7.732 8.233 -0.501 19151 428 1 1 . 1 1 87 87 TYR N N 87 117.420 117.420 119.262 -1.842 19151 429 1 1 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.569 1.196 19151 430 1 1 . 1 1 87 87 TYR C C 87 172.931 172.931 173.186 -0.255 19151 431 1 1 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.621 -1.360 19151 432 1 1 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.838 3.100 19151 433 1 1 . 1 1 87 87 TYR H H 87 8.783 8.783 8.229 0.554 19151 434 1 1 . 1 1 88 88 GLY N N 88 107.765 107.765 106.314 1.451 19151 435 1 1 . 1 1 88 88 GLY C C 88 172.621 172.621 171.074 1.547 19151 436 1 1 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.585 1.276 19151 437 1 1 . 1 1 88 88 GLY H H 88 8.905 8.905 8.811 0.094 19151 438 1 1 . 1 1 89 89 VAL N N 89 118.180 118.180 118.054 0.126 19151 439 1 1 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.910 0.091 19151 440 1 1 . 1 1 89 89 VAL C C 89 172.939 172.939 172.967 -0.028 19151 441 1 1 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.001 0.998 19151 442 1 1 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.017 1.381 19151 443 1 1 . 1 1 89 89 VAL H H 89 7.499 7.499 8.018 -0.519 19151 444 1 1 . 1 1 90 90 ILE N N 90 125.000 125.000 126.299 -1.299 19151 445 1 1 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.106 0.021 19151 446 1 1 . 1 1 90 90 ILE C C 90 173.099 173.099 173.617 -0.518 19151 447 1 1 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.821 0.667 19151 448 1 1 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.228 0.170 19151 449 1 1 . 1 1 90 90 ILE H H 90 8.810 8.810 8.844 -0.034 19151 450 1 1 . 1 1 91 91 ALA N N 91 129.036 129.036 129.770 -0.734 19151 451 1 1 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.393 -0.067 19151 452 1 1 . 1 1 91 91 ALA C C 91 174.000 174.000 175.810 -1.810 19151 453 1 1 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.755 -0.755 19151 454 1 1 . 1 1 91 91 ALA CB C 91 22.100 22.100 20.987 1.113 19151 455 1 1 . 1 1 91 91 ALA H H 91 9.253 9.253 8.842 0.411 19151 456 1 1 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.093 -0.162 19151 457 1 1 . 1 1 92 92 LEU C C 92 177.366 177.366 176.540 0.826 19151 458 1 1 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.087 0.830 19151 459 1 1 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.230 -2.830 19151 460 1 1 . 1 1 93 93 GLY N N 93 110.663 110.663 107.833 2.830 19151 461 1 1 . 1 1 93 93 GLY C C 93 172.029 172.029 171.902 0.127 19151 462 1 1 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.970 -0.240 19151 463 1 1 . 1 1 93 93 GLY H H 93 8.687 8.687 8.792 -0.105 19151 464 1 1 . 1 1 94 94 ASP N N 94 119.304 119.304 121.657 -2.353 19151 465 1 1 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.486 -0.226 19151 466 1 1 . 1 1 94 94 ASP C C 94 176.978 176.978 176.849 0.129 19151 467 1 1 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.129 1.478 19151 468 1 1 . 1 1 94 94 ASP CB C 94 43.000 43.000 42.872 0.128 19151 469 1 1 . 1 1 94 94 ASP H H 94 8.129 8.129 8.614 -0.485 19151 470 1 1 . 1 1 95 95 SER N N 95 123.897 123.897 122.747 1.150 19151 471 1 1 . 1 1 95 95 SER HA H 95 3.895 3.895 4.299 -0.404 19151 472 1 1 . 1 1 95 95 SER C C 95 175.243 175.243 175.565 -0.322 19151 473 1 1 . 1 1 95 95 SER CA C 95 60.183 60.183 59.614 0.569 19151 474 1 1 . 1 1 95 95 SER CB C 95 61.700 61.700 62.735 -1.035 19151 475 1 1 . 1 1 95 95 SER H H 95 8.878 8.878 9.588 -0.710 19151 476 1 1 . 1 1 96 96 SER N N 96 119.248 119.248 117.134 2.114 19151 477 1 1 . 1 1 96 96 SER HA H 96 4.209 4.209 4.213 -0.004 19151 478 1 1 . 1 1 96 96 SER C C 96 173.900 173.900 175.307 -1.407 19151 479 1 1 . 1 1 96 96 SER CA C 96 60.197 60.197 59.789 0.408 19151 480 1 1 . 1 1 96 96 SER CB C 96 63.000 63.000 63.313 -0.313 19151 481 1 1 . 1 1 96 96 SER H H 96 9.124 9.124 8.264 0.860 19151 482 1 1 . 1 1 97 97 TYR N N 97 120.889 120.889 120.795 0.094 19151 483 1 1 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.481 0.407 19151 484 1 1 . 1 1 97 97 TYR C C 97 175.972 175.972 177.622 -1.650 19151 485 1 1 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.505 -2.755 19151 486 1 1 . 1 1 97 97 TYR CB C 97 39.820 39.820 38.763 1.057 19151 487 1 1 . 1 1 97 97 TYR H H 97 7.664 7.664 7.807 -0.143 19151 488 1 1 . 1 1 98 98 VAL N N 98 116.952 116.952 122.325 -5.373 19151 489 1 1 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.779 0.281 19151 490 1 1 . 1 1 98 98 VAL C C 98 175.969 175.969 176.032 -0.063 19151 491 1 1 . 1 1 98 98 VAL CA C 98 62.840 62.840 64.955 -2.115 19151 492 1 1 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.733 0.867 19151 493 1 1 . 1 1 98 98 VAL H H 98 7.970 7.970 8.643 -0.673 19151 494 1 1 . 1 1 99 99 ASN N N 99 118.156 118.156 115.876 2.280 19151 495 1 1 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.848 -0.337 19151 496 1 1 . 1 1 99 99 ASN C C 99 174.329 174.329 175.735 -1.406 19151 497 1 1 . 1 1 99 99 ASN CA C 99 53.031 53.031 51.704 1.327 19151 498 1 1 . 1 1 99 99 ASN CB C 99 37.238 37.238 38.321 -1.083 19151 499 1 1 . 1 1 99 99 ASN H H 99 8.296 8.296 7.851 0.445 19151 500 1 1 . 1 1 100 100 PHE N N 100 118.649 118.649 120.509 -1.860 19151 501 1 1 . 1 1 100 100 PHE HA H 100 4.415 4.415 3.994 0.421 19151 502 1 1 . 1 1 100 100 PHE C C 100 174.400 174.400 174.891 -0.491 19151 503 1 1 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.121 -2.931 19151 504 1 1 . 1 1 100 100 PHE CB C 100 39.679 39.679 37.896 1.783 19151 505 1 1 . 1 1 100 100 PHE H H 100 7.855 7.855 8.180 -0.325 19151 506 1 1 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.253 -0.668 19151 507 1 1 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.387 5.353 19151 508 1 1 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.148 -1.149 19151 509 1 1 . 1 1 101 101 CYS H H 101 9.240 9.240 7.740 1.500 19151 510 1 1 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.325 -0.105 19151 511 1 1 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.692 0.508 19151 512 1 1 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.659 -0.059 19151 513 1 1 . 1 1 102 102 ASN H H 102 8.300 8.300 8.521 -0.221 19151 514 1 1 . 1 1 103 103 GLY C C 103 175.690 175.690 175.816 -0.126 19151 515 1 1 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.205 0.145 19151 516 1 1 . 1 1 104 104 GLY N N 104 106.150 106.150 108.784 -2.634 19151 517 1 1 . 1 1 104 104 GLY C C 104 174.570 174.570 176.053 -1.483 19151 518 1 1 . 1 1 104 104 GLY CA C 104 47.350 47.350 45.888 1.462 19151 519 1 1 . 1 1 104 104 GLY H H 104 7.108 7.108 7.605 -0.497 19151 520 1 1 . 1 1 105 105 LYS N N 105 120.732 120.732 122.685 -1.953 19151 521 1 1 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.995 -0.058 19151 522 1 1 . 1 1 105 105 LYS C C 105 179.706 179.706 178.915 0.791 19151 523 1 1 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.833 0.475 19151 524 1 1 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.130 -0.333 19151 525 1 1 . 1 1 105 105 LYS H H 105 7.708 7.708 7.448 0.260 19151 526 1 1 . 1 1 106 106 GLN N N 106 119.087 119.087 118.012 1.075 19151 527 1 1 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.126 0.016 19151 528 1 1 . 1 1 106 106 GLN C C 106 179.418 179.418 178.548 0.870 19151 529 1 1 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.835 0.040 19151 530 1 1 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.404 0.355 19151 531 1 1 . 1 1 106 106 GLN H H 106 8.738 8.738 8.776 -0.038 19151 532 1 1 . 1 1 107 107 PHE N N 107 123.088 123.088 119.265 3.823 19151 533 1 1 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.356 -0.106 19151 534 1 1 . 1 1 107 107 PHE C C 107 178.403 178.403 177.941 0.462 19151 535 1 1 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.772 0.413 19151 536 1 1 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.851 0.600 19151 537 1 1 . 1 1 107 107 PHE H H 107 7.922 7.922 7.619 0.303 19151 538 1 1 . 1 1 108 108 ASP N N 108 117.118 117.118 120.630 -3.512 19151 539 1 1 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.529 -0.155 19151 540 1 1 . 1 1 108 108 ASP C C 108 176.973 176.973 178.106 -1.133 19151 541 1 1 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.856 0.573 19151 542 1 1 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.282 2.841 19151 543 1 1 . 1 1 108 108 ASP H H 108 8.305 8.305 8.340 -0.035 19151 544 1 1 . 1 1 109 109 ALA N N 109 118.590 118.590 122.835 -4.245 19151 545 1 1 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.092 -0.042 19151 546 1 1 . 1 1 109 109 ALA C C 109 180.430 180.430 179.907 0.523 19151 547 1 1 . 1 1 109 109 ALA CA C 109 55.196 55.196 54.984 0.212 19151 548 1 1 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.311 -0.204 19151 549 1 1 . 1 1 109 109 ALA H H 109 8.332 8.332 8.155 0.177 19151 550 1 1 . 1 1 110 110 LEU N N 110 120.402 120.402 120.131 0.271 19151 551 1 1 . 1 1 110 110 LEU HA H 110 4.085 4.085 4.022 0.063 19151 552 1 1 . 1 1 110 110 LEU C C 110 177.801 177.801 179.013 -1.212 19151 553 1 1 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.565 0.075 19151 554 1 1 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.996 0.760 19151 555 1 1 . 1 1 110 110 LEU H H 110 7.868 7.868 7.632 0.236 19151 556 1 1 . 1 1 111 111 LEU N N 111 116.945 116.945 117.362 -0.417 19151 557 1 1 . 1 1 111 111 LEU HA H 111 3.718 3.718 4.107 -0.389 19151 558 1 1 . 1 1 111 111 LEU C C 111 179.838 179.838 179.838 0.000 19151 559 1 1 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.395 0.570 19151 560 1 1 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.488 -2.628 19151 561 1 1 . 1 1 111 111 LEU H H 111 7.704 7.704 7.433 0.271 19151 562 1 1 . 1 1 112 112 GLN N N 112 118.484 118.484 116.400 2.084 19151 563 1 1 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.145 -0.004 19151 564 1 1 . 1 1 112 112 GLN C C 112 181.218 181.218 178.037 3.181 19151 565 1 1 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.443 1.523 19151 566 1 1 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.168 1.093 19151 567 1 1 . 1 1 112 112 GLN H H 112 8.441 8.441 7.813 0.628 19151 568 1 1 . 1 1 113 113 GLU N N 113 122.905 122.905 117.687 5.218 19151 569 1 1 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.147 0.034 19151 570 1 1 . 1 1 113 113 GLU C C 113 178.001 178.001 177.252 0.749 19151 571 1 1 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.986 0.999 19151 572 1 1 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.547 -0.277 19151 573 1 1 . 1 1 113 113 GLU H H 113 8.305 8.305 7.910 0.395 19151 574 1 1 . 1 1 114 114 GLN N N 114 117.332 117.332 118.525 -1.193 19151 575 1 1 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.339 0.256 19151 576 1 1 . 1 1 114 114 GLN C C 114 174.538 174.538 176.728 -2.190 19151 577 1 1 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.119 -0.702 19151 578 1 1 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.571 -4.741 19151 579 1 1 . 1 1 114 114 GLN H H 114 7.520 7.520 7.523 -0.003 19151 580 1 1 . 1 1 115 115 SER N N 115 109.100 109.100 110.261 -1.161 19151 581 1 1 . 1 1 115 115 SER HA H 115 4.200 4.200 4.482 -0.282 19151 582 1 1 . 1 1 115 115 SER C C 115 172.302 172.302 173.172 -0.870 19151 583 1 1 . 1 1 115 115 SER CA C 115 60.400 60.400 58.460 1.940 19151 584 1 1 . 1 1 115 115 SER CB C 115 61.325 61.325 65.223 -3.898 19151 585 1 1 . 1 1 115 115 SER H H 115 7.950 7.950 7.971 -0.021 19151 586 1 1 . 1 1 116 116 ALA N N 116 121.059 121.059 124.643 -3.584 19151 587 1 1 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.325 0.469 19151 588 1 1 . 1 1 116 116 ALA C C 116 176.774 176.774 176.220 0.554 19151 589 1 1 . 1 1 116 116 ALA CA C 116 51.690 51.690 51.959 -0.269 19151 590 1 1 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.509 0.856 19151 591 1 1 . 1 1 116 116 ALA H H 116 7.813 7.813 7.893 -0.080 19151 592 1 1 . 1 1 117 117 GLN N N 117 118.000 118.000 118.236 -0.236 19151 593 1 1 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.685 -0.067 19151 594 1 1 . 1 1 117 117 GLN C C 117 173.769 173.769 175.765 -1.996 19151 595 1 1 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.685 -0.129 19151 596 1 1 . 1 1 117 117 GLN CB C 117 30.735 30.735 30.837 -0.102 19151 597 1 1 . 1 1 117 117 GLN H H 117 8.591 8.591 8.605 -0.014 19151 598 1 1 . 1 1 118 118 ARG N N 118 127.947 127.947 119.771 8.176 19151 599 1 1 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.246 -1.938 19151 600 1 1 . 1 1 118 118 ARG C C 118 176.758 176.758 175.680 1.078 19151 601 1 1 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.635 1.551 19151 602 1 1 . 1 1 118 118 ARG CB C 118 30.310 30.310 33.439 -3.129 19151 603 1 1 . 1 1 118 118 ARG H H 118 8.659 8.659 8.550 0.109 19151 604 1 1 . 1 1 119 119 VAL N N 119 131.939 131.939 120.841 11.098 19151 605 1 1 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.346 -0.233 19151 606 1 1 . 1 1 119 119 VAL C C 119 176.775 176.775 176.101 0.674 19151 607 1 1 . 1 1 119 119 VAL CA C 119 62.174 62.174 60.800 1.374 19151 608 1 1 . 1 1 119 119 VAL CB C 119 32.394 32.394 34.354 -1.960 19151 609 1 1 . 1 1 119 119 VAL H H 119 9.520 9.520 8.737 0.783 19151 610 1 1 . 1 1 120 120 GLY N N 120 116.074 116.074 116.129 -0.055 19151 611 1 1 . 1 1 120 120 GLY C C 120 172.757 172.757 173.320 -0.563 19151 612 1 1 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.621 -1.724 19151 613 1 1 . 1 1 120 120 GLY H H 120 8.755 8.755 8.569 0.186 19151 614 1 1 . 1 1 121 121 GLU N N 121 118.754 118.754 119.951 -1.197 19151 615 1 1 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.614 0.052 19151 616 1 1 . 1 1 121 121 GLU C C 121 177.419 177.419 176.264 1.155 19151 617 1 1 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.454 0.037 19151 618 1 1 . 1 1 121 121 GLU CB C 121 31.498 31.498 31.810 -0.312 19151 619 1 1 . 1 1 121 121 GLU H H 121 8.594 8.594 8.516 0.078 19151 620 1 1 . 1 1 122 122 MET N N 122 122.642 122.642 121.359 1.283 19151 621 1 1 . 1 1 122 122 MET HA H 122 4.415 4.415 4.810 -0.395 19151 622 1 1 . 1 1 122 122 MET C C 122 175.351 175.351 175.292 0.059 19151 623 1 1 . 1 1 122 122 MET CA C 122 57.024 57.024 55.072 1.952 19151 624 1 1 . 1 1 122 122 MET CB C 122 34.210 34.210 33.103 1.107 19151 625 1 1 . 1 1 122 122 MET H H 122 8.892 8.892 8.613 0.279 19151 626 1 1 . 1 1 123 123 LEU N N 123 129.535 129.535 123.048 6.487 19151 627 1 1 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.384 -0.034 19151 628 1 1 . 1 1 123 123 LEU C C 123 173.124 173.124 174.226 -1.102 19151 629 1 1 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.560 0.179 19151 630 1 1 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.728 -1.651 19151 631 1 1 . 1 1 123 123 LEU H H 123 7.868 7.868 7.581 0.287 19151 632 1 1 . 1 1 124 124 LEU N N 124 127.120 127.120 125.982 1.138 19151 633 1 1 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.701 0.354 19151 634 1 1 . 1 1 124 124 LEU C C 124 176.379 176.379 176.092 0.287 19151 635 1 1 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.103 0.447 19151 636 1 1 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.767 -1.389 19151 637 1 1 . 1 1 124 124 LEU H H 124 8.346 8.346 8.168 0.178 19151 638 1 1 . 1 1 125 125 ILE N N 125 124.337 124.337 124.861 -0.524 19151 639 1 1 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.279 -0.099 19151 640 1 1 . 1 1 125 125 ILE C C 125 174.303 174.303 174.712 -0.409 19151 641 1 1 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.713 0.387 19151 642 1 1 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.948 -1.005 19151 643 1 1 . 1 1 125 125 ILE H H 125 8.974 8.974 8.557 0.417 19151 644 1 1 . 1 1 126 126 ASP N N 126 127.113 127.113 128.256 -1.143 19151 645 1 1 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.480 -0.365 19151 646 1 1 . 1 1 126 126 ASP C C 126 176.766 176.766 176.567 0.199 19151 647 1 1 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.355 -0.508 19151 648 1 1 . 1 1 126 126 ASP CB C 126 41.100 41.100 41.871 -0.771 19151 649 1 1 . 1 1 126 126 ASP H H 126 9.397 9.397 8.917 0.480 19151 650 1 1 . 1 1 127 127 ALA N N 127 131.178 131.178 131.597 -0.419 19151 651 1 1 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.533 -0.217 19151 652 1 1 . 1 1 127 127 ALA C C 127 178.530 178.530 178.873 -0.343 19151 653 1 1 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.043 -0.196 19151 654 1 1 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.046 -0.254 19151 655 1 1 . 1 1 127 127 ALA H H 127 9.696 9.696 9.208 0.488 19151 656 1 1 . 1 1 128 128 SER N N 128 112.064 112.064 112.907 -0.843 19151 657 1 1 . 1 1 128 128 SER HA H 128 4.224 4.224 4.204 0.020 19151 658 1 1 . 1 1 128 128 SER C C 128 175.000 175.000 175.464 -0.464 19151 659 1 1 . 1 1 128 128 SER CA C 128 61.246 61.246 60.505 0.741 19151 660 1 1 . 1 1 128 128 SER CB C 128 63.310 63.310 63.423 -0.113 19151 661 1 1 . 1 1 128 128 SER H H 128 8.373 8.373 8.348 0.025 19151 662 1 1 . 1 1 129 129 GLU N N 129 119.468 119.468 118.551 0.917 19151 663 1 1 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.434 -0.034 19151 664 1 1 . 1 1 129 129 GLU C C 129 175.947 175.947 175.949 -0.002 19151 665 1 1 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.876 -0.460 19151 666 1 1 . 1 1 129 129 GLU CB C 129 31.730 31.730 32.065 -0.335 19151 667 1 1 . 1 1 129 129 GLU H H 129 7.267 7.267 7.557 -0.290 19151 668 1 1 . 1 1 130 130 ASN N N 130 115.968 115.968 118.417 -2.449 19151 669 1 1 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.129 0.037 19151 670 1 1 . 1 1 130 130 ASN C C 130 172.000 172.000 174.050 -2.050 19151 671 1 1 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.733 -0.510 19151 672 1 1 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.816 -0.150 19151 673 1 1 . 1 1 130 130 ASN H H 130 8.072 8.072 8.262 -0.190 19151 674 1 1 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.585 -0.035 19151 675 1 1 . 1 1 131 131 PRO C C 131 176.400 176.400 176.380 0.020 19151 676 1 1 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.629 -0.129 19151 677 1 1 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.904 0.396 19151 678 1 1 . 1 1 132 132 GLU N N 132 119.000 119.000 118.565 0.435 19151 679 1 1 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.847 0.173 19151 680 1 1 . 1 1 132 132 GLU C C 132 174.200 174.200 175.231 -1.031 19151 681 1 1 . 1 1 132 132 GLU CA C 132 53.000 53.000 52.999 0.001 19151 682 1 1 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.312 0.388 19151 683 1 1 . 1 1 132 132 GLU H H 132 7.690 7.690 8.118 -0.428 19151 684 1 1 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.221 -0.221 19151 685 1 1 . 1 1 133 133 PRO C C 133 177.391 177.391 178.117 -0.726 19151 686 1 1 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.272 0.197 19151 687 1 1 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.996 0.149 19151 688 1 1 . 1 1 134 134 GLU N N 134 122.846 122.846 118.452 4.394 19151 689 1 1 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.299 0.921 19151 690 1 1 . 1 1 134 134 GLU C C 134 178.385 178.385 178.733 -0.348 19151 691 1 1 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.425 -1.833 19151 692 1 1 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.191 -1.601 19151 693 1 1 . 1 1 134 134 GLU H H 134 10.707 10.707 8.969 1.738 19151 694 1 1 . 1 1 135 135 THR N N 135 113.016 113.016 109.989 3.027 19151 695 1 1 . 1 1 135 135 THR HA H 135 4.182 4.182 4.253 -0.071 19151 696 1 1 . 1 1 135 135 THR C C 135 176.460 176.460 175.834 0.626 19151 697 1 1 . 1 1 135 135 THR CA C 135 64.752 64.752 64.708 0.044 19151 698 1 1 . 1 1 135 135 THR CB C 135 69.248 69.248 68.985 0.263 19151 699 1 1 . 1 1 135 135 THR H H 135 8.168 8.168 8.065 0.103 19151 700 1 1 . 1 1 136 136 GLU N N 136 118.978 118.978 121.534 -2.556 19151 701 1 1 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.506 0.058 19151 702 1 1 . 1 1 136 136 GLU C C 136 178.370 178.370 178.560 -0.190 19151 703 1 1 . 1 1 136 136 GLU CA C 136 56.913 56.913 57.939 -1.026 19151 704 1 1 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.980 1.119 19151 705 1 1 . 1 1 136 136 GLU H H 136 7.680 7.680 7.629 0.051 19151 706 1 1 . 1 1 137 137 SER N N 137 116.501 116.501 115.941 0.560 19151 707 1 1 . 1 1 137 137 SER HA H 137 4.033 4.033 4.267 -0.234 19151 708 1 1 . 1 1 137 137 SER C C 137 175.670 175.670 176.696 -1.026 19151 709 1 1 . 1 1 137 137 SER CA C 137 62.330 62.330 61.953 0.377 19151 710 1 1 . 1 1 137 137 SER CB C 137 61.380 61.380 63.133 -1.753 19151 711 1 1 . 1 1 137 137 SER H H 137 8.824 8.824 8.564 0.260 19151 712 1 1 . 1 1 138 138 ASN N N 138 123.517 123.517 121.307 2.210 19151 713 1 1 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.759 -0.168 19151 714 1 1 . 1 1 138 138 ASN C C 138 175.700 175.700 175.473 0.227 19151 715 1 1 . 1 1 138 138 ASN CA C 138 57.486 57.486 56.846 0.640 19151 716 1 1 . 1 1 138 138 ASN CB C 138 34.253 34.253 35.953 -1.700 19151 717 1 1 . 1 1 138 138 ASN H H 138 8.564 8.564 8.180 0.384 19151 718 1 1 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.423 0.032 19151 719 1 1 . 1 1 139 139 PRO C C 139 180.033 180.033 178.779 1.254 19151 720 1 1 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.439 0.171 19151 721 1 1 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.515 -0.979 19151 722 1 1 . 1 1 140 140 TRP N N 140 119.700 119.700 122.131 -2.431 19151 723 1 1 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.433 -0.100 19151 724 1 1 . 1 1 140 140 TRP C C 140 179.195 179.195 178.089 1.106 19151 725 1 1 . 1 1 140 140 TRP CA C 140 62.180 62.180 62.035 0.145 19151 726 1 1 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.404 1.347 19151 727 1 1 . 1 1 140 140 TRP H H 140 7.057 7.057 7.650 -0.593 19151 728 1 1 . 1 1 141 141 VAL N N 141 122.879 122.879 119.239 3.640 19151 729 1 1 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.675 0.061 19151 730 1 1 . 1 1 141 141 VAL C C 141 177.416 177.416 178.394 -0.978 19151 731 1 1 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.473 -0.757 19151 732 1 1 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.547 -0.115 19151 733 1 1 . 1 1 141 141 VAL H H 141 9.629 9.629 8.808 0.821 19151 734 1 1 . 1 1 142 142 GLU N N 142 119.965 119.965 119.107 0.858 19151 735 1 1 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.020 -0.288 19151 736 1 1 . 1 1 142 142 GLU C C 142 178.800 178.800 178.131 0.669 19151 737 1 1 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.036 0.296 19151 738 1 1 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.843 -0.283 19151 739 1 1 . 1 1 142 142 GLU H H 142 8.551 8.551 8.215 0.336 19151 740 1 1 . 1 1 143 143 HIS N N 143 115.364 115.364 118.494 -3.130 19151 741 1 1 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.399 -0.109 19151 742 1 1 . 1 1 143 143 HIS C C 143 177.840 177.840 176.625 1.215 19151 743 1 1 . 1 1 143 143 HIS CA C 143 59.363 59.363 59.508 -0.145 19151 744 1 1 . 1 1 143 143 HIS CB C 143 29.362 29.362 30.064 -0.702 19151 745 1 1 . 1 1 143 143 HIS H H 143 7.380 7.380 7.797 -0.417 19151 746 1 1 . 1 1 144 144 TRP N N 144 126.680 126.680 122.347 4.333 19151 747 1 1 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.970 -0.636 19151 748 1 1 . 1 1 144 144 TRP C C 144 178.200 178.200 178.341 -0.141 19151 749 1 1 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.791 2.169 19151 750 1 1 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.371 0.154 19151 751 1 1 . 1 1 144 144 TRP H H 144 9.215 9.215 8.602 0.613 19151 752 1 1 . 1 1 145 145 GLY N N 145 100.130 100.130 105.454 -5.324 19151 753 1 1 . 1 1 145 145 GLY C C 145 177.391 177.391 175.308 2.083 19151 754 1 1 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.269 -0.509 19151 755 1 1 . 1 1 145 145 GLY H H 145 8.834 8.834 8.665 0.169 19151 756 1 1 . 1 1 146 146 THR N N 146 110.831 110.831 114.318 -3.487 19151 757 1 1 . 1 1 146 146 THR HA H 146 4.319 4.319 4.004 0.315 19151 758 1 1 . 1 1 146 146 THR C C 146 175.574 175.574 175.624 -0.050 19151 759 1 1 . 1 1 146 146 THR CA C 146 63.260 63.260 64.128 -0.868 19151 760 1 1 . 1 1 146 146 THR CB C 146 69.660 69.660 68.270 1.389 19151 761 1 1 . 1 1 146 146 THR H H 146 7.594 7.594 7.449 0.145 19151 762 1 1 . 1 1 147 147 LEU N N 147 120.678 120.678 119.402 1.276 19151 763 1 1 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.102 -0.044 19151 764 1 1 . 1 1 147 147 LEU C C 147 177.176 177.176 176.336 0.840 19151 765 1 1 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.485 -1.171 19151 766 1 1 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.329 -0.101 19151 767 1 1 . 1 1 147 147 LEU H H 147 7.458 7.458 7.468 -0.010 19151 768 1 1 . 1 1 148 148 LEU N N 148 117.062 117.062 118.391 -1.329 19151 769 1 1 . 1 1 148 148 LEU HA H 148 3.718 3.718 4.034 -0.316 19151 770 1 1 . 1 1 148 148 LEU C C 148 175.570 175.570 176.475 -0.905 19151 771 1 1 . 1 1 148 148 LEU CA C 148 53.951 53.951 53.945 0.006 19151 772 1 1 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.509 -1.909 19151 773 1 1 . 1 1 148 148 LEU H H 148 6.482 6.482 7.047 -0.565 19151 774 1 2 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.763 -0.534 19151 775 1 2 . 1 1 2 2 ALA C C 2 173.315 173.315 174.561 -1.246 19151 776 1 2 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.751 -0.170 19151 777 1 2 . 1 1 2 2 ALA CB C 2 20.223 20.223 22.583 -2.360 19151 778 1 2 . 1 1 3 3 GLU N N 3 121.874 121.874 119.861 2.013 19151 779 1 2 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.381 -0.107 19151 780 1 2 . 1 1 3 3 GLU C C 3 174.545 174.545 175.221 -0.676 19151 781 1 2 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.409 0.441 19151 782 1 2 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.323 -0.603 19151 783 1 2 . 1 1 3 3 GLU H H 3 8.696 8.696 8.530 0.166 19151 784 1 2 . 1 1 4 4 ILE N N 4 120.672 120.672 125.120 -4.448 19151 785 1 2 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.916 0.193 19151 786 1 2 . 1 1 4 4 ILE C C 4 175.463 175.463 175.012 0.451 19151 787 1 2 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.170 -0.337 19151 788 1 2 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.272 3.398 19151 789 1 2 . 1 1 4 4 ILE H H 4 8.860 8.860 9.089 -0.229 19151 790 1 2 . 1 1 5 5 GLY N N 5 119.310 119.310 114.922 4.388 19151 791 1 2 . 1 1 5 5 GLY C C 5 171.260 171.260 172.938 -1.678 19151 792 1 2 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.616 0.204 19151 793 1 2 . 1 1 5 5 GLY H H 5 8.469 8.469 8.274 0.195 19151 794 1 2 . 1 1 6 6 ILE N N 6 126.915 126.915 126.216 0.699 19151 795 1 2 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.065 0.125 19151 796 1 2 . 1 1 6 6 ILE C C 6 173.901 173.901 174.425 -0.524 19151 797 1 2 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.635 -0.635 19151 798 1 2 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.892 -1.892 19151 799 1 2 . 1 1 6 6 ILE H H 6 9.056 9.056 9.207 -0.151 19151 800 1 2 . 1 1 7 7 PHE N N 7 127.354 127.354 127.492 -0.138 19151 801 1 2 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.070 -0.558 19151 802 1 2 . 1 1 7 7 PHE C C 7 174.230 174.230 174.580 -0.350 19151 803 1 2 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.522 1.888 19151 804 1 2 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.844 0.884 19151 805 1 2 . 1 1 7 7 PHE H H 7 8.960 8.960 9.599 -0.639 19151 806 1 2 . 1 1 8 8 VAL N N 8 127.270 127.270 124.488 2.782 19151 807 1 2 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.154 -0.094 19151 808 1 2 . 1 1 8 8 VAL C C 8 175.450 175.450 175.599 -0.149 19151 809 1 2 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.253 0.947 19151 810 1 2 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.912 0.525 19151 811 1 2 . 1 1 8 8 VAL H H 8 8.581 8.581 7.856 0.725 19151 812 1 2 . 1 1 9 9 GLY N N 9 115.000 115.000 117.000 -2.000 19151 813 1 2 . 1 1 9 9 GLY C C 9 173.150 173.150 172.375 0.775 19151 814 1 2 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.451 0.549 19151 815 1 2 . 1 1 9 9 GLY H H 9 9.393 9.393 8.976 0.417 19151 816 1 2 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.326 0.369 19151 817 1 2 . 1 1 12 12 TYR C C 12 176.560 176.560 176.187 0.373 19151 818 1 2 . 1 1 12 12 TYR CA C 12 57.750 57.750 59.498 -1.748 19151 819 1 2 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.479 -0.479 19151 820 1 2 . 1 1 13 13 GLY N N 13 109.870 109.870 114.509 -4.639 19151 821 1 2 . 1 1 13 13 GLY C C 13 175.930 175.930 172.964 2.966 19151 822 1 2 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.319 1.681 19151 823 1 2 . 1 1 13 13 GLY H H 13 8.500 8.500 8.067 0.433 19151 824 1 2 . 1 1 17 17 LEU HA H 17 4.230 4.230 3.898 0.332 19151 825 1 2 . 1 1 17 17 LEU C C 17 179.210 179.210 177.114 2.096 19151 826 1 2 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.632 0.768 19151 827 1 2 . 1 1 17 17 LEU CB C 17 41.300 41.300 40.143 1.157 19151 828 1 2 . 1 1 18 18 VAL N N 18 117.231 117.231 120.109 -2.878 19151 829 1 2 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.564 -0.241 19151 830 1 2 . 1 1 18 18 VAL C C 18 178.460 178.460 177.848 0.612 19151 831 1 2 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.227 0.639 19151 832 1 2 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.883 0.577 19151 833 1 2 . 1 1 18 18 VAL H H 18 7.645 7.645 8.252 -0.607 19151 834 1 2 . 1 1 19 19 ALA N N 19 121.820 121.820 121.451 0.369 19151 835 1 2 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.948 -0.132 19151 836 1 2 . 1 1 19 19 ALA C C 19 178.180 178.180 179.607 -1.427 19151 837 1 2 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.427 0.149 19151 838 1 2 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.109 1.891 19151 839 1 2 . 1 1 19 19 ALA H H 19 8.010 8.010 8.458 -0.448 19151 840 1 2 . 1 1 20 20 GLU N N 20 118.960 118.960 118.125 0.835 19151 841 1 2 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.003 0.013 19151 842 1 2 . 1 1 20 20 GLU C C 20 180.950 180.950 179.423 1.527 19151 843 1 2 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.248 0.417 19151 844 1 2 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.294 0.006 19151 845 1 2 . 1 1 20 20 GLU H H 20 8.700 8.700 7.941 0.759 19151 846 1 2 . 1 1 21 21 GLU N N 21 121.371 121.371 119.922 1.449 19151 847 1 2 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.105 -0.061 19151 848 1 2 . 1 1 21 21 GLU C C 21 179.419 179.419 178.888 0.531 19151 849 1 2 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.202 0.108 19151 850 1 2 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.343 0.218 19151 851 1 2 . 1 1 21 21 GLU H H 21 8.632 8.632 7.878 0.754 19151 852 1 2 . 1 1 22 22 ALA N N 22 121.329 121.329 122.733 -1.404 19151 853 1 2 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.091 -0.033 19151 854 1 2 . 1 1 22 22 ALA C C 22 178.823 178.823 179.392 -0.569 19151 855 1 2 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.589 -0.912 19151 856 1 2 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.194 -0.551 19151 857 1 2 . 1 1 22 22 ALA H H 22 8.182 8.182 8.622 -0.440 19151 858 1 2 . 1 1 23 23 GLU N N 23 119.035 119.035 119.198 -0.163 19151 859 1 2 . 1 1 23 23 GLU HA H 23 3.404 3.404 3.995 -0.591 19151 860 1 2 . 1 1 23 23 GLU C C 23 178.375 178.375 178.581 -0.206 19151 861 1 2 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.746 0.562 19151 862 1 2 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.625 -0.695 19151 863 1 2 . 1 1 23 23 GLU H H 23 8.387 8.387 8.417 -0.030 19151 864 1 2 . 1 1 24 24 ALA N N 24 122.207 122.207 121.825 0.382 19151 865 1 2 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.118 -0.088 19151 866 1 2 . 1 1 24 24 ALA C C 24 181.132 181.132 179.880 1.252 19151 867 1 2 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.058 0.429 19151 868 1 2 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.655 -0.655 19151 869 1 2 . 1 1 24 24 ALA H H 24 7.535 7.535 7.555 -0.020 19151 870 1 2 . 1 1 25 25 ILE N N 25 121.059 121.059 119.883 1.176 19151 871 1 2 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.667 -0.003 19151 872 1 2 . 1 1 25 25 ILE C C 25 178.419 178.419 177.869 0.550 19151 873 1 2 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.245 -1.137 19151 874 1 2 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.196 0.767 19151 875 1 2 . 1 1 25 25 ILE H H 25 7.800 7.800 8.580 -0.780 19151 876 1 2 . 1 1 26 26 LEU N N 26 119.307 119.307 120.425 -1.118 19151 877 1 2 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.169 0.007 19151 878 1 2 . 1 1 26 26 LEU C C 26 179.863 179.863 179.749 0.114 19151 879 1 2 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.289 -0.344 19151 880 1 2 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.292 -0.152 19151 881 1 2 . 1 1 26 26 LEU H H 26 8.509 8.509 8.597 -0.088 19151 882 1 2 . 1 1 27 27 THR N N 27 117.830 117.830 116.054 1.776 19151 883 1 2 . 1 1 27 27 THR HA H 27 4.524 4.524 4.315 0.209 19151 884 1 2 . 1 1 27 27 THR C C 27 179.027 179.027 176.438 2.589 19151 885 1 2 . 1 1 27 27 THR CA C 27 66.000 66.000 66.685 -0.685 19151 886 1 2 . 1 1 27 27 THR CB C 27 68.600 68.600 68.684 -0.084 19151 887 1 2 . 1 1 27 27 THR H H 27 8.796 8.796 8.415 0.381 19151 888 1 2 . 1 1 28 28 ALA N N 28 126.313 126.313 123.045 3.268 19151 889 1 2 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.168 0.037 19151 890 1 2 . 1 1 28 28 ALA C C 28 179.360 179.360 179.626 -0.266 19151 891 1 2 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.362 0.638 19151 892 1 2 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.248 -0.598 19151 893 1 2 . 1 1 28 28 ALA H H 28 7.832 7.832 7.984 -0.152 19151 894 1 2 . 1 1 29 29 GLN N N 29 115.527 115.527 116.551 -1.024 19151 895 1 2 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.146 -0.019 19151 896 1 2 . 1 1 29 29 GLN C C 29 176.547 176.547 176.916 -0.369 19151 897 1 2 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.981 -0.418 19151 898 1 2 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.710 -0.300 19151 899 1 2 . 1 1 29 29 GLN H H 29 7.353 7.353 8.205 -0.852 19151 900 1 2 . 1 1 30 30 GLY N N 30 105.961 105.961 106.635 -0.674 19151 901 1 2 . 1 1 30 30 GLY C C 30 174.785 174.785 173.349 1.436 19151 902 1 2 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.502 -0.001 19151 903 1 2 . 1 1 30 30 GLY H H 30 7.923 7.923 7.779 0.144 19151 904 1 2 . 1 1 31 31 HIS N N 31 119.471 119.471 117.721 1.750 19151 905 1 2 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.893 -0.058 19151 906 1 2 . 1 1 31 31 HIS C C 31 174.665 174.665 173.562 1.103 19151 907 1 2 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.551 1.291 19151 908 1 2 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.931 0.069 19151 909 1 2 . 1 1 31 31 HIS H H 31 7.558 7.558 8.103 -0.545 19151 910 1 2 . 1 1 32 32 LYS N N 32 121.854 121.854 122.687 -0.833 19151 911 1 2 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.463 0.260 19151 912 1 2 . 1 1 32 32 LYS C C 32 174.466 174.466 174.855 -0.389 19151 913 1 2 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.864 0.001 19151 914 1 2 . 1 1 32 32 LYS CB C 32 32.960 32.960 31.413 1.546 19151 915 1 2 . 1 1 32 32 LYS H H 32 8.665 8.665 8.772 -0.107 19151 916 1 2 . 1 1 33 33 ALA N N 33 130.188 130.188 129.202 0.986 19151 917 1 2 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.552 0.266 19151 918 1 2 . 1 1 33 33 ALA C C 33 175.567 175.567 176.826 -1.259 19151 919 1 2 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.788 -0.812 19151 920 1 2 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.057 1.240 19151 921 1 2 . 1 1 33 33 ALA H H 33 8.837 8.837 7.879 0.958 19151 922 1 2 . 1 1 34 34 THR N N 34 117.164 117.164 117.696 -0.532 19151 923 1 2 . 1 1 34 34 THR HA H 34 4.359 4.359 4.709 -0.350 19151 924 1 2 . 1 1 34 34 THR C C 34 171.315 171.315 173.529 -2.214 19151 925 1 2 . 1 1 34 34 THR CA C 34 61.840 61.840 61.609 0.231 19151 926 1 2 . 1 1 34 34 THR CB C 34 71.800 71.800 72.605 -0.805 19151 927 1 2 . 1 1 34 34 THR H H 34 7.826 7.826 8.845 -1.019 19151 928 1 2 . 1 1 35 35 VAL N N 35 126.650 126.650 124.950 1.700 19151 929 1 2 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.255 -0.072 19151 930 1 2 . 1 1 35 35 VAL C C 35 174.675 174.675 175.126 -0.451 19151 931 1 2 . 1 1 35 35 VAL CA C 35 61.928 61.928 62.348 -0.420 19151 932 1 2 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.393 0.257 19151 933 1 2 . 1 1 35 35 VAL H H 35 8.496 8.496 8.757 -0.261 19151 934 1 2 . 1 1 36 36 PHE N N 36 127.630 127.630 127.403 0.227 19151 935 1 2 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.676 -0.125 19151 936 1 2 . 1 1 36 36 PHE C C 36 174.347 174.347 174.383 -0.036 19151 937 1 2 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.519 0.963 19151 938 1 2 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.328 -0.163 19151 939 1 2 . 1 1 36 36 PHE H H 36 9.164 9.164 9.127 0.037 19151 940 1 2 . 1 1 37 37 GLU N N 37 123.516 123.516 124.775 -1.259 19151 941 1 2 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.462 0.008 19151 942 1 2 . 1 1 37 37 GLU C C 37 175.954 175.954 176.005 -0.051 19151 943 1 2 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.256 -0.537 19151 944 1 2 . 1 1 37 37 GLU CB C 37 31.460 31.460 31.201 0.259 19151 945 1 2 . 1 1 37 37 GLU H H 37 8.455 8.455 8.621 -0.166 19151 946 1 2 . 1 1 38 38 ASP N N 38 120.395 120.395 121.592 -1.197 19151 947 1 2 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.476 0.357 19151 948 1 2 . 1 1 38 38 ASP C C 38 173.920 173.920 174.652 -0.732 19151 949 1 2 . 1 1 38 38 ASP CA C 38 54.477 54.477 53.884 0.593 19151 950 1 2 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.704 -0.100 19151 951 1 2 . 1 1 38 38 ASP H H 38 9.602 9.602 8.646 0.956 19151 952 1 2 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.596 0.084 19151 953 1 2 . 1 1 39 39 PRO C C 39 176.274 176.274 176.390 -0.116 19151 954 1 2 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.181 -0.197 19151 955 1 2 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.885 1.515 19151 956 1 2 . 1 1 40 40 GLU N N 40 119.026 119.026 121.363 -2.337 19151 957 1 2 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.638 0.090 19151 958 1 2 . 1 1 40 40 GLU C C 40 177.827 177.827 178.404 -0.577 19151 959 1 2 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.077 -0.106 19151 960 1 2 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.344 2.056 19151 961 1 2 . 1 1 40 40 GLU H H 40 9.178 9.178 8.914 0.264 19151 962 1 2 . 1 1 41 41 LEU N N 41 123.708 123.708 124.127 -0.419 19151 963 1 2 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.262 -0.368 19151 964 1 2 . 1 1 41 41 LEU C C 41 178.730 178.730 177.479 1.251 19151 965 1 2 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.490 0.917 19151 966 1 2 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.604 0.049 19151 967 1 2 . 1 1 41 41 LEU H H 41 9.160 9.160 8.642 0.518 19151 968 1 2 . 1 1 42 42 SER N N 42 110.500 110.500 112.229 -1.729 19151 969 1 2 . 1 1 42 42 SER HA H 42 4.010 4.010 4.263 -0.253 19151 970 1 2 . 1 1 42 42 SER C C 42 176.300 176.300 175.386 0.914 19151 971 1 2 . 1 1 42 42 SER CA C 42 61.600 61.600 60.599 1.001 19151 972 1 2 . 1 1 42 42 SER CB C 42 62.140 62.140 62.769 -0.629 19151 973 1 2 . 1 1 42 42 SER H H 42 8.415 8.415 8.388 0.027 19151 974 1 2 . 1 1 43 43 ASP N N 43 119.770 119.770 121.430 -1.660 19151 975 1 2 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.628 -0.171 19151 976 1 2 . 1 1 43 43 ASP C C 43 176.150 176.150 176.119 0.031 19151 977 1 2 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.550 1.200 19151 978 1 2 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.962 1.738 19151 979 1 2 . 1 1 43 43 ASP H H 43 7.690 7.690 8.058 -0.368 19151 980 1 2 . 1 1 44 44 TRP N N 44 118.500 118.500 121.105 -2.605 19151 981 1 2 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.566 -0.356 19151 982 1 2 . 1 1 44 44 TRP C C 44 177.150 177.150 177.637 -0.487 19151 983 1 2 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.427 0.960 19151 984 1 2 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.777 -0.467 19151 985 1 2 . 1 1 44 44 TRP H H 44 7.464 7.464 7.460 0.004 19151 986 1 2 . 1 1 45 45 LEU N N 45 114.100 114.100 121.243 -7.143 19151 987 1 2 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.129 0.046 19151 988 1 2 . 1 1 45 45 LEU C C 45 176.300 176.300 175.750 0.550 19151 989 1 2 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.255 -0.695 19151 990 1 2 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.332 -0.112 19151 991 1 2 . 1 1 45 45 LEU H H 45 7.550 7.550 8.368 -0.818 19151 992 1 2 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.199 0.181 19151 993 1 2 . 1 1 46 46 PRO C C 46 176.799 176.799 176.942 -0.143 19151 994 1 2 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.927 0.360 19151 995 1 2 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.115 0.485 19151 996 1 2 . 1 1 47 47 TYR N N 47 113.790 113.790 115.362 -1.572 19151 997 1 2 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.700 -0.580 19151 998 1 2 . 1 1 47 47 TYR C C 47 175.730 175.730 177.472 -1.742 19151 999 1 2 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.316 1.884 19151 1000 1 2 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.955 0.062 19151 1001 1 2 . 1 1 47 47 TYR H H 47 8.291 8.291 8.315 -0.024 19151 1002 1 2 . 1 1 48 48 GLN N N 48 116.524 116.524 120.119 -3.595 19151 1003 1 2 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.953 -0.068 19151 1004 1 2 . 1 1 48 48 GLN C C 48 174.381 174.381 176.076 -1.695 19151 1005 1 2 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.592 0.234 19151 1006 1 2 . 1 1 48 48 GLN CB C 48 31.000 31.000 29.006 1.994 19151 1007 1 2 . 1 1 48 48 GLN H H 48 7.300 7.300 7.541 -0.241 19151 1008 1 2 . 1 1 49 49 ASP N N 49 114.657 114.657 111.726 2.931 19151 1009 1 2 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.689 -0.002 19151 1010 1 2 . 1 1 49 49 ASP C C 49 176.307 176.307 175.848 0.459 19151 1011 1 2 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.580 -1.845 19151 1012 1 2 . 1 1 49 49 ASP CB C 49 40.200 40.200 40.437 -0.236 19151 1013 1 2 . 1 1 49 49 ASP H H 49 7.854 7.854 8.405 -0.551 19151 1014 1 2 . 1 1 50 50 LYS N N 50 123.514 123.514 119.007 4.507 19151 1015 1 2 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.223 0.367 19151 1016 1 2 . 1 1 50 50 LYS C C 50 172.964 172.964 174.474 -1.510 19151 1017 1 2 . 1 1 50 50 LYS CA C 50 54.693 54.693 54.879 -0.186 19151 1018 1 2 . 1 1 50 50 LYS CB C 50 33.500 33.500 35.517 -2.017 19151 1019 1 2 . 1 1 50 50 LYS H H 50 7.833 7.833 7.586 0.247 19151 1020 1 2 . 1 1 51 51 TYR N N 51 118.375 118.375 116.252 2.123 19151 1021 1 2 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.828 0.227 19151 1022 1 2 . 1 1 51 51 TYR C C 51 175.875 175.875 176.328 -0.453 19151 1023 1 2 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.429 0.992 19151 1024 1 2 . 1 1 51 51 TYR CB C 51 42.477 42.477 40.949 1.528 19151 1025 1 2 . 1 1 51 51 TYR H H 51 7.745 7.745 7.871 -0.126 19151 1026 1 2 . 1 1 52 52 VAL N N 52 112.527 112.527 114.733 -2.206 19151 1027 1 2 . 1 1 52 52 VAL HA H 52 5.500 5.500 5.030 0.470 19151 1028 1 2 . 1 1 52 52 VAL C C 52 173.910 173.910 174.067 -0.157 19151 1029 1 2 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.222 -1.526 19151 1030 1 2 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.556 0.936 19151 1031 1 2 . 1 1 52 52 VAL H H 52 8.673 8.673 8.342 0.331 19151 1032 1 2 . 1 1 53 53 LEU N N 53 124.294 124.294 124.372 -0.078 19151 1033 1 2 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.362 -0.462 19151 1034 1 2 . 1 1 53 53 LEU C C 53 175.070 175.070 174.624 0.446 19151 1035 1 2 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.294 -0.728 19151 1036 1 2 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.364 -1.134 19151 1037 1 2 . 1 1 53 53 LEU H H 53 9.137 9.137 9.211 -0.074 19151 1038 1 2 . 1 1 54 54 VAL N N 54 127.850 127.850 127.405 0.445 19151 1039 1 2 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.642 -0.132 19151 1040 1 2 . 1 1 54 54 VAL C C 54 174.030 174.030 174.203 -0.173 19151 1041 1 2 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.651 0.174 19151 1042 1 2 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.536 -0.845 19151 1043 1 2 . 1 1 54 54 VAL H H 54 8.619 8.619 8.946 -0.327 19151 1044 1 2 . 1 1 55 55 VAL N N 55 127.181 127.181 127.932 -0.751 19151 1045 1 2 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.851 0.234 19151 1046 1 2 . 1 1 55 55 VAL C C 55 174.942 174.942 174.563 0.379 19151 1047 1 2 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.419 -0.350 19151 1048 1 2 . 1 1 55 55 VAL CB C 55 33.222 33.222 32.410 0.812 19151 1049 1 2 . 1 1 55 55 VAL H H 55 8.578 8.578 9.008 -0.430 19151 1050 1 2 . 1 1 56 56 THR N N 56 117.420 117.420 123.126 -5.706 19151 1051 1 2 . 1 1 56 56 THR HA H 56 5.590 5.590 5.182 0.408 19151 1052 1 2 . 1 1 56 56 THR C C 56 172.640 172.640 173.483 -0.843 19151 1053 1 2 . 1 1 56 56 THR CA C 56 59.359 59.359 60.180 -0.821 19151 1054 1 2 . 1 1 56 56 THR CB C 56 70.715 70.715 70.234 0.481 19151 1055 1 2 . 1 1 56 56 THR H H 56 8.710 8.710 8.864 -0.154 19151 1056 1 2 . 1 1 57 57 SER HA H 57 5.250 5.250 5.168 0.082 19151 1057 1 2 . 1 1 57 57 SER CA C 57 57.730 57.730 57.066 0.664 19151 1058 1 2 . 1 1 57 57 SER CB C 57 64.500 64.500 65.036 -0.536 19151 1059 1 2 . 1 1 57 57 SER H H 57 8.075 8.075 8.881 -0.806 19151 1060 1 2 . 1 1 58 58 THR H H 58 7.900 7.900 8.514 -0.614 19151 1061 1 2 . 1 1 59 59 THR HA H 59 4.900 4.900 4.306 0.594 19151 1062 1 2 . 1 1 59 59 THR CA C 59 61.200 61.200 64.782 -3.582 19151 1063 1 2 . 1 1 59 59 THR CB C 59 73.400 73.400 68.895 4.505 19151 1064 1 2 . 1 1 59 59 THR H H 59 9.230 9.230 7.581 1.649 19151 1065 1 2 . 1 1 60 60 GLY CA C 60 46.500 46.500 44.837 1.663 19151 1066 1 2 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.317 0.089 19151 1067 1 2 . 1 1 61 61 GLN C C 61 175.950 175.950 175.994 -0.044 19151 1068 1 2 . 1 1 61 61 GLN CA C 61 55.350 55.350 56.558 -1.208 19151 1069 1 2 . 1 1 61 61 GLN CB C 61 29.160 29.160 28.748 0.412 19151 1070 1 2 . 1 1 62 62 GLY N N 62 108.420 108.420 105.836 2.584 19151 1071 1 2 . 1 1 62 62 GLY C C 62 173.134 173.134 172.414 0.720 19151 1072 1 2 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.443 1.341 19151 1073 1 2 . 1 1 62 62 GLY H H 62 8.073 8.073 7.382 0.691 19151 1074 1 2 . 1 1 63 63 ASP N N 63 118.400 118.400 117.066 1.334 19151 1075 1 2 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.250 0.530 19151 1076 1 2 . 1 1 63 63 ASP CA C 63 53.296 53.296 55.287 -1.991 19151 1077 1 2 . 1 1 63 63 ASP CB C 63 42.740 42.740 41.030 1.710 19151 1078 1 2 . 1 1 63 63 ASP H H 63 7.248 7.248 8.235 -0.987 19151 1079 1 2 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.546 -0.146 19151 1080 1 2 . 1 1 64 64 LEU CA C 64 53.150 53.150 52.017 1.133 19151 1081 1 2 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.888 -1.201 19151 1082 1 2 . 1 1 64 64 LEU H H 64 8.445 8.445 8.236 0.209 19151 1083 1 2 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.517 -0.224 19151 1084 1 2 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.455 -0.110 19151 1085 1 2 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.785 -0.305 19151 1086 1 2 . 1 1 66 66 ASP N N 66 121.200 121.200 121.363 -0.163 19151 1087 1 2 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.418 -0.158 19151 1088 1 2 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.437 1.194 19151 1089 1 2 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.694 0.106 19151 1090 1 2 . 1 1 66 66 ASP H H 66 8.605 8.605 8.847 -0.242 19151 1091 1 2 . 1 1 67 67 SER HA H 67 4.292 4.292 4.432 -0.140 19151 1092 1 2 . 1 1 67 67 SER C C 67 175.650 175.650 175.041 0.609 19151 1093 1 2 . 1 1 67 67 SER CA C 67 60.500 60.500 60.347 0.153 19151 1094 1 2 . 1 1 67 67 SER CB C 67 63.530 63.530 64.023 -0.493 19151 1095 1 2 . 1 1 68 68 ILE N N 68 120.550 120.550 121.406 -0.856 19151 1096 1 2 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.454 0.656 19151 1097 1 2 . 1 1 68 68 ILE C C 68 174.713 174.713 176.552 -1.839 19151 1098 1 2 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.829 -0.429 19151 1099 1 2 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.505 3.735 19151 1100 1 2 . 1 1 68 68 ILE H H 68 7.870 7.870 7.729 0.141 19151 1101 1 2 . 1 1 69 69 VAL N N 69 125.740 125.740 123.073 2.667 19151 1102 1 2 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.734 0.011 19151 1103 1 2 . 1 1 69 69 VAL C C 69 174.500 174.500 174.777 -0.277 19151 1104 1 2 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.726 -1.176 19151 1105 1 2 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.397 0.733 19151 1106 1 2 . 1 1 69 69 VAL H H 69 7.428 7.428 8.271 -0.843 19151 1107 1 2 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.296 -0.004 19151 1108 1 2 . 1 1 70 70 PRO C C 70 180.820 180.820 178.779 2.041 19151 1109 1 2 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.125 0.345 19151 1110 1 2 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.159 -0.502 19151 1111 1 2 . 1 1 71 71 LEU N N 71 119.467 119.467 120.753 -1.286 19151 1112 1 2 . 1 1 71 71 LEU HA H 71 3.845 3.845 3.962 -0.117 19151 1113 1 2 . 1 1 71 71 LEU C C 71 176.489 176.489 178.135 -1.646 19151 1114 1 2 . 1 1 71 71 LEU CA C 71 58.207 58.207 58.221 -0.014 19151 1115 1 2 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.656 -0.170 19151 1116 1 2 . 1 1 71 71 LEU H H 71 7.918 7.918 7.801 0.117 19151 1117 1 2 . 1 1 72 72 PHE N N 72 119.361 119.361 119.212 0.149 19151 1118 1 2 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.310 -0.165 19151 1119 1 2 . 1 1 72 72 PHE C C 72 175.968 175.968 177.152 -1.184 19151 1120 1 2 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.678 0.143 19151 1121 1 2 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.611 0.936 19151 1122 1 2 . 1 1 72 72 PHE H H 72 7.903 7.903 8.738 -0.835 19151 1123 1 2 . 1 1 73 73 GLN N N 73 116.100 116.100 116.928 -0.828 19151 1124 1 2 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.779 -0.252 19151 1125 1 2 . 1 1 73 73 GLN C C 73 177.871 177.871 178.711 -0.840 19151 1126 1 2 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.829 -0.689 19151 1127 1 2 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.158 -0.011 19151 1128 1 2 . 1 1 73 73 GLN H H 73 9.042 9.042 8.637 0.405 19151 1129 1 2 . 1 1 74 74 GLY N N 74 107.110 107.110 108.162 -1.052 19151 1130 1 2 . 1 1 74 74 GLY C C 74 175.894 175.894 176.453 -0.559 19151 1131 1 2 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.765 0.515 19151 1132 1 2 . 1 1 74 74 GLY H H 74 8.045 8.045 8.220 -0.175 19151 1133 1 2 . 1 1 75 75 ILE N N 75 123.629 123.629 122.820 0.809 19151 1134 1 2 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.371 -0.321 19151 1135 1 2 . 1 1 75 75 ILE C C 75 178.622 178.622 177.072 1.550 19151 1136 1 2 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.817 0.440 19151 1137 1 2 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.386 0.582 19151 1138 1 2 . 1 1 75 75 ILE H H 75 8.174 8.174 8.114 0.060 19151 1139 1 2 . 1 1 76 76 LYS N N 76 119.363 119.363 118.540 0.823 19151 1140 1 2 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.792 -0.487 19151 1141 1 2 . 1 1 76 76 LYS C C 76 177.909 177.909 178.133 -0.224 19151 1142 1 2 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.238 0.467 19151 1143 1 2 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.989 0.361 19151 1144 1 2 . 1 1 76 76 LYS H H 76 7.600 7.600 7.466 0.134 19151 1145 1 2 . 1 1 77 77 ASP N N 77 115.190 115.190 117.465 -2.275 19151 1146 1 2 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.615 -0.133 19151 1147 1 2 . 1 1 77 77 ASP C C 77 178.825 178.825 177.924 0.901 19151 1148 1 2 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.787 0.493 19151 1149 1 2 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.883 -0.693 19151 1150 1 2 . 1 1 77 77 ASP H H 77 8.482 8.482 8.215 0.267 19151 1151 1 2 . 1 1 78 78 SER N N 78 112.576 112.576 115.997 -3.421 19151 1152 1 2 . 1 1 78 78 SER HA H 78 4.728 4.728 4.410 0.318 19151 1153 1 2 . 1 1 78 78 SER C C 78 174.556 174.556 175.036 -0.480 19151 1154 1 2 . 1 1 78 78 SER CA C 78 60.045 60.045 60.445 -0.400 19151 1155 1 2 . 1 1 78 78 SER CB C 78 64.643 64.643 64.059 0.584 19151 1156 1 2 . 1 1 78 78 SER H H 78 8.273 8.273 7.959 0.314 19151 1157 1 2 . 1 1 79 79 LEU N N 79 120.833 120.833 121.273 -0.440 19151 1158 1 2 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.394 0.421 19151 1159 1 2 . 1 1 79 79 LEU C C 79 176.251 176.251 178.803 -2.552 19151 1160 1 2 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.462 -2.502 19151 1161 1 2 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.163 -2.967 19151 1162 1 2 . 1 1 79 79 LEU H H 79 7.025 7.025 7.548 -0.523 19151 1163 1 2 . 1 1 80 80 GLY N N 80 108.861 108.861 106.883 1.978 19151 1164 1 2 . 1 1 80 80 GLY C C 80 173.623 173.623 173.625 -0.002 19151 1165 1 2 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.442 -0.213 19151 1166 1 2 . 1 1 80 80 GLY H H 80 7.499 7.499 8.103 -0.604 19151 1167 1 2 . 1 1 81 81 PHE N N 81 121.441 121.441 119.375 2.066 19151 1168 1 2 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.978 0.082 19151 1169 1 2 . 1 1 81 81 PHE C C 81 174.411 174.411 172.591 1.820 19151 1170 1 2 . 1 1 81 81 PHE CA C 81 57.211 57.211 56.529 0.682 19151 1171 1 2 . 1 1 81 81 PHE CB C 81 40.620 40.620 42.122 -1.502 19151 1172 1 2 . 1 1 81 81 PHE H H 81 8.018 8.018 7.423 0.595 19151 1173 1 2 . 1 1 82 82 GLN N N 82 126.480 126.480 122.109 4.371 19151 1174 1 2 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.591 0.299 19151 1175 1 2 . 1 1 82 82 GLN C C 82 172.700 172.700 173.347 -0.647 19151 1176 1 2 . 1 1 82 82 GLN CA C 82 54.177 54.177 51.908 2.269 19151 1177 1 2 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.728 1.872 19151 1178 1 2 . 1 1 82 82 GLN H H 82 9.588 9.588 7.343 2.245 19151 1179 1 2 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.333 0.040 19151 1180 1 2 . 1 1 83 83 PRO C C 83 178.163 178.163 176.702 1.461 19151 1181 1 2 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.125 -0.434 19151 1182 1 2 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.778 -0.913 19151 1183 1 2 . 1 1 84 84 ASN N N 84 116.900 116.900 114.160 2.740 19151 1184 1 2 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.897 -0.128 19151 1185 1 2 . 1 1 84 84 ASN C C 84 173.332 173.332 173.625 -0.293 19151 1186 1 2 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.713 -0.153 19151 1187 1 2 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.809 -1.549 19151 1188 1 2 . 1 1 84 84 ASN H H 84 8.578 8.578 7.992 0.586 19151 1189 1 2 . 1 1 85 85 LEU N N 85 124.380 124.380 123.217 1.163 19151 1190 1 2 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.511 -0.465 19151 1191 1 2 . 1 1 85 85 LEU C C 85 175.880 175.880 175.519 0.361 19151 1192 1 2 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.611 1.231 19151 1193 1 2 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.393 -1.093 19151 1194 1 2 . 1 1 85 85 LEU H H 85 7.240 7.240 7.707 -0.467 19151 1195 1 2 . 1 1 86 86 ARG N N 86 128.715 128.715 124.562 4.153 19151 1196 1 2 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.029 0.765 19151 1197 1 2 . 1 1 86 86 ARG C C 86 175.554 175.554 174.458 1.096 19151 1198 1 2 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.298 0.144 19151 1199 1 2 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.334 -1.461 19151 1200 1 2 . 1 1 86 86 ARG H H 86 7.732 7.732 8.242 -0.510 19151 1201 1 2 . 1 1 87 87 TYR N N 87 117.420 117.420 119.284 -1.864 19151 1202 1 2 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.645 1.120 19151 1203 1 2 . 1 1 87 87 TYR C C 87 172.931 172.931 173.286 -0.355 19151 1204 1 2 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.485 -1.224 19151 1205 1 2 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.985 2.953 19151 1206 1 2 . 1 1 87 87 TYR H H 87 8.783 8.783 8.264 0.519 19151 1207 1 2 . 1 1 88 88 GLY N N 88 107.765 107.765 105.731 2.034 19151 1208 1 2 . 1 1 88 88 GLY C C 88 172.621 172.621 170.999 1.622 19151 1209 1 2 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.656 1.205 19151 1210 1 2 . 1 1 88 88 GLY H H 88 8.905 8.905 8.981 -0.076 19151 1211 1 2 . 1 1 89 89 VAL N N 89 118.180 118.180 118.212 -0.032 19151 1212 1 2 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.972 0.029 19151 1213 1 2 . 1 1 89 89 VAL C C 89 172.939 172.939 172.734 0.205 19151 1214 1 2 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.085 0.914 19151 1215 1 2 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.157 1.241 19151 1216 1 2 . 1 1 89 89 VAL H H 89 7.499 7.499 8.145 -0.646 19151 1217 1 2 . 1 1 90 90 ILE N N 90 125.000 125.000 126.171 -1.171 19151 1218 1 2 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.112 0.015 19151 1219 1 2 . 1 1 90 90 ILE C C 90 173.099 173.099 173.500 -0.401 19151 1220 1 2 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.887 0.601 19151 1221 1 2 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.362 0.036 19151 1222 1 2 . 1 1 90 90 ILE H H 90 8.810 8.810 8.901 -0.091 19151 1223 1 2 . 1 1 91 91 ALA N N 91 129.036 129.036 129.918 -0.882 19151 1224 1 2 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.333 -0.007 19151 1225 1 2 . 1 1 91 91 ALA C C 91 174.000 174.000 175.702 -1.702 19151 1226 1 2 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.789 -0.789 19151 1227 1 2 . 1 1 91 91 ALA CB C 91 22.100 22.100 20.931 1.169 19151 1228 1 2 . 1 1 91 91 ALA H H 91 9.253 9.253 8.877 0.376 19151 1229 1 2 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.163 -0.232 19151 1230 1 2 . 1 1 92 92 LEU C C 92 177.366 177.366 177.284 0.082 19151 1231 1 2 . 1 1 92 92 LEU CA C 92 54.917 54.917 53.932 0.985 19151 1232 1 2 . 1 1 92 92 LEU CB C 92 43.400 43.400 45.981 -2.581 19151 1233 1 2 . 1 1 93 93 GLY N N 93 110.663 110.663 108.622 2.041 19151 1234 1 2 . 1 1 93 93 GLY C C 93 172.029 172.029 172.117 -0.088 19151 1235 1 2 . 1 1 93 93 GLY CA C 93 45.730 45.730 46.016 -0.285 19151 1236 1 2 . 1 1 93 93 GLY H H 93 8.687 8.687 8.938 -0.251 19151 1237 1 2 . 1 1 94 94 ASP N N 94 119.304 119.304 119.898 -0.594 19151 1238 1 2 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.423 -0.163 19151 1239 1 2 . 1 1 94 94 ASP C C 94 176.978 176.978 176.721 0.257 19151 1240 1 2 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.643 0.964 19151 1241 1 2 . 1 1 94 94 ASP CB C 94 43.000 43.000 41.862 1.138 19151 1242 1 2 . 1 1 94 94 ASP H H 94 8.129 8.129 8.165 -0.036 19151 1243 1 2 . 1 1 95 95 SER N N 95 123.897 123.897 118.948 4.949 19151 1244 1 2 . 1 1 95 95 SER HA H 95 3.895 3.895 4.262 -0.367 19151 1245 1 2 . 1 1 95 95 SER C C 95 175.243 175.243 175.117 0.126 19151 1246 1 2 . 1 1 95 95 SER CA C 95 60.183 60.183 58.584 1.599 19151 1247 1 2 . 1 1 95 95 SER CB C 95 61.700 61.700 62.461 -0.761 19151 1248 1 2 . 1 1 95 95 SER H H 95 8.878 8.878 9.108 -0.230 19151 1249 1 2 . 1 1 96 96 SER N N 96 119.248 119.248 115.701 3.547 19151 1250 1 2 . 1 1 96 96 SER HA H 96 4.209 4.209 4.210 -0.001 19151 1251 1 2 . 1 1 96 96 SER C C 96 173.900 173.900 174.395 -0.495 19151 1252 1 2 . 1 1 96 96 SER CA C 96 60.197 60.197 59.624 0.573 19151 1253 1 2 . 1 1 96 96 SER CB C 96 63.000 63.000 63.018 -0.018 19151 1254 1 2 . 1 1 96 96 SER H H 96 9.124 9.124 8.257 0.867 19151 1255 1 2 . 1 1 97 97 TYR N N 97 120.889 120.889 120.049 0.840 19151 1256 1 2 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.672 0.216 19151 1257 1 2 . 1 1 97 97 TYR C C 97 175.972 175.972 174.954 1.018 19151 1258 1 2 . 1 1 97 97 TYR CA C 97 55.750 55.750 56.699 -0.949 19151 1259 1 2 . 1 1 97 97 TYR CB C 97 39.820 39.820 40.471 -0.651 19151 1260 1 2 . 1 1 97 97 TYR H H 97 7.664 7.664 7.555 0.109 19151 1261 1 2 . 1 1 98 98 VAL N N 98 116.952 116.952 117.913 -0.961 19151 1262 1 2 . 1 1 98 98 VAL HA H 98 4.060 4.060 4.047 0.013 19151 1263 1 2 . 1 1 98 98 VAL C C 98 175.969 175.969 176.297 -0.328 19151 1264 1 2 . 1 1 98 98 VAL CA C 98 62.840 62.840 62.846 -0.006 19151 1265 1 2 . 1 1 98 98 VAL CB C 98 32.600 32.600 33.328 -0.728 19151 1266 1 2 . 1 1 98 98 VAL H H 98 7.970 7.970 8.374 -0.404 19151 1267 1 2 . 1 1 99 99 ASN N N 99 118.156 118.156 115.084 3.072 19151 1268 1 2 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.367 0.144 19151 1269 1 2 . 1 1 99 99 ASN C C 99 174.329 174.329 176.327 -1.998 19151 1270 1 2 . 1 1 99 99 ASN CA C 99 53.031 53.031 54.511 -1.480 19151 1271 1 2 . 1 1 99 99 ASN CB C 99 37.238 37.238 36.652 0.586 19151 1272 1 2 . 1 1 99 99 ASN H H 99 8.296 8.296 8.774 -0.478 19151 1273 1 2 . 1 1 100 100 PHE N N 100 118.649 118.649 118.360 0.289 19151 1274 1 2 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.038 0.377 19151 1275 1 2 . 1 1 100 100 PHE C C 100 174.400 174.400 175.816 -1.416 19151 1276 1 2 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.651 -3.461 19151 1277 1 2 . 1 1 100 100 PHE CB C 100 39.679 39.679 38.925 0.755 19151 1278 1 2 . 1 1 100 100 PHE H H 100 7.855 7.855 8.420 -0.565 19151 1279 1 2 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.146 -0.561 19151 1280 1 2 . 1 1 101 101 CYS CA C 101 62.740 62.740 55.798 6.942 19151 1281 1 2 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.323 -1.323 19151 1282 1 2 . 1 1 101 101 CYS H H 101 9.240 9.240 7.469 1.771 19151 1283 1 2 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.405 -0.185 19151 1284 1 2 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.129 1.071 19151 1285 1 2 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.445 0.155 19151 1286 1 2 . 1 1 102 102 ASN H H 102 8.300 8.300 8.162 0.138 19151 1287 1 2 . 1 1 103 103 GLY C C 103 175.690 175.690 175.949 -0.259 19151 1288 1 2 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.020 0.330 19151 1289 1 2 . 1 1 104 104 GLY N N 104 106.150 106.150 109.569 -3.419 19151 1290 1 2 . 1 1 104 104 GLY C C 104 174.570 174.570 176.291 -1.721 19151 1291 1 2 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.351 0.999 19151 1292 1 2 . 1 1 104 104 GLY H H 104 7.108 7.108 7.651 -0.543 19151 1293 1 2 . 1 1 105 105 LYS N N 105 120.732 120.732 122.333 -1.601 19151 1294 1 2 . 1 1 105 105 LYS HA H 105 3.937 3.937 4.033 -0.096 19151 1295 1 2 . 1 1 105 105 LYS C C 105 179.706 179.706 178.993 0.713 19151 1296 1 2 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.706 0.602 19151 1297 1 2 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.176 -0.379 19151 1298 1 2 . 1 1 105 105 LYS H H 105 7.708 7.708 7.502 0.206 19151 1299 1 2 . 1 1 106 106 GLN N N 106 119.087 119.087 118.314 0.773 19151 1300 1 2 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.183 -0.041 19151 1301 1 2 . 1 1 106 106 GLN C C 106 179.418 179.418 178.506 0.912 19151 1302 1 2 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.534 0.341 19151 1303 1 2 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.351 0.408 19151 1304 1 2 . 1 1 106 106 GLN H H 106 8.738 8.738 8.456 0.282 19151 1305 1 2 . 1 1 107 107 PHE N N 107 123.088 123.088 119.851 3.237 19151 1306 1 2 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.288 -0.038 19151 1307 1 2 . 1 1 107 107 PHE C C 107 178.403 178.403 177.782 0.621 19151 1308 1 2 . 1 1 107 107 PHE CA C 107 62.185 62.185 62.171 0.014 19151 1309 1 2 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.949 0.502 19151 1310 1 2 . 1 1 107 107 PHE H H 107 7.922 7.922 8.055 -0.133 19151 1311 1 2 . 1 1 108 108 ASP N N 108 117.118 117.118 120.681 -3.563 19151 1312 1 2 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.613 -0.239 19151 1313 1 2 . 1 1 108 108 ASP C C 108 176.973 176.973 178.101 -1.128 19151 1314 1 2 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.478 0.951 19151 1315 1 2 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.126 2.997 19151 1316 1 2 . 1 1 108 108 ASP H H 108 8.305 8.305 8.262 0.043 19151 1317 1 2 . 1 1 109 109 ALA N N 109 118.590 118.590 122.916 -4.326 19151 1318 1 2 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.092 -0.042 19151 1319 1 2 . 1 1 109 109 ALA C C 109 180.430 180.430 179.939 0.491 19151 1320 1 2 . 1 1 109 109 ALA CA C 109 55.196 55.196 54.977 0.219 19151 1321 1 2 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.318 -0.211 19151 1322 1 2 . 1 1 109 109 ALA H H 109 8.332 8.332 7.982 0.350 19151 1323 1 2 . 1 1 110 110 LEU N N 110 120.402 120.402 119.940 0.462 19151 1324 1 2 . 1 1 110 110 LEU HA H 110 4.085 4.085 4.044 0.041 19151 1325 1 2 . 1 1 110 110 LEU C C 110 177.801 177.801 178.977 -1.176 19151 1326 1 2 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.575 0.065 19151 1327 1 2 . 1 1 110 110 LEU CB C 110 41.756 41.756 41.023 0.733 19151 1328 1 2 . 1 1 110 110 LEU H H 110 7.868 7.868 7.713 0.155 19151 1329 1 2 . 1 1 111 111 LEU N N 111 116.945 116.945 116.936 0.009 19151 1330 1 2 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.832 -0.114 19151 1331 1 2 . 1 1 111 111 LEU C C 111 179.838 179.838 179.420 0.418 19151 1332 1 2 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.675 0.290 19151 1333 1 2 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.445 -2.585 19151 1334 1 2 . 1 1 111 111 LEU H H 111 7.704 7.704 7.353 0.351 19151 1335 1 2 . 1 1 112 112 GLN N N 112 118.484 118.484 116.576 1.908 19151 1336 1 2 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.135 0.006 19151 1337 1 2 . 1 1 112 112 GLN C C 112 181.218 181.218 177.890 3.328 19151 1338 1 2 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.464 1.502 19151 1339 1 2 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.254 1.006 19151 1340 1 2 . 1 1 112 112 GLN H H 112 8.441 8.441 7.809 0.632 19151 1341 1 2 . 1 1 113 113 GLU N N 113 122.905 122.905 116.318 6.587 19151 1342 1 2 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.173 0.008 19151 1343 1 2 . 1 1 113 113 GLU C C 113 178.001 178.001 177.145 0.856 19151 1344 1 2 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.541 1.444 19151 1345 1 2 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.526 -0.256 19151 1346 1 2 . 1 1 113 113 GLU H H 113 8.305 8.305 7.897 0.408 19151 1347 1 2 . 1 1 114 114 GLN N N 114 117.332 117.332 117.817 -0.485 19151 1348 1 2 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.342 0.253 19151 1349 1 2 . 1 1 114 114 GLN C C 114 174.538 174.538 176.606 -2.068 19151 1350 1 2 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.219 -0.802 19151 1351 1 2 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.927 -5.097 19151 1352 1 2 . 1 1 114 114 GLN H H 114 7.520 7.520 7.460 0.060 19151 1353 1 2 . 1 1 115 115 SER N N 115 109.100 109.100 109.648 -0.548 19151 1354 1 2 . 1 1 115 115 SER HA H 115 4.200 4.200 4.520 -0.320 19151 1355 1 2 . 1 1 115 115 SER C C 115 172.302 172.302 173.587 -1.285 19151 1356 1 2 . 1 1 115 115 SER CA C 115 60.400 60.400 58.555 1.845 19151 1357 1 2 . 1 1 115 115 SER CB C 115 61.325 61.325 65.942 -4.617 19151 1358 1 2 . 1 1 115 115 SER H H 115 7.950 7.950 8.060 -0.111 19151 1359 1 2 . 1 1 116 116 ALA N N 116 121.059 121.059 125.838 -4.779 19151 1360 1 2 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.330 0.464 19151 1361 1 2 . 1 1 116 116 ALA C C 116 176.774 176.774 175.916 0.858 19151 1362 1 2 . 1 1 116 116 ALA CA C 116 51.690 51.690 51.987 -0.297 19151 1363 1 2 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.785 0.580 19151 1364 1 2 . 1 1 116 116 ALA H H 116 7.813 7.813 7.891 -0.078 19151 1365 1 2 . 1 1 117 117 GLN N N 117 118.000 118.000 118.226 -0.226 19151 1366 1 2 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.699 -0.081 19151 1367 1 2 . 1 1 117 117 GLN C C 117 173.769 173.769 175.602 -1.833 19151 1368 1 2 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.672 -0.117 19151 1369 1 2 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.004 -0.269 19151 1370 1 2 . 1 1 117 117 GLN H H 117 8.591 8.591 8.622 -0.031 19151 1371 1 2 . 1 1 118 118 ARG N N 118 127.947 127.947 120.590 7.357 19151 1372 1 2 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.053 -1.745 19151 1373 1 2 . 1 1 118 118 ARG C C 118 176.758 176.758 175.197 1.561 19151 1374 1 2 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.713 1.473 19151 1375 1 2 . 1 1 118 118 ARG CB C 118 30.310 30.310 32.482 -2.172 19151 1376 1 2 . 1 1 118 118 ARG H H 118 8.659 8.659 8.559 0.100 19151 1377 1 2 . 1 1 119 119 VAL N N 119 131.939 131.939 123.506 8.433 19151 1378 1 2 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.286 -0.173 19151 1379 1 2 . 1 1 119 119 VAL C C 119 176.775 176.775 175.536 1.239 19151 1380 1 2 . 1 1 119 119 VAL CA C 119 62.174 62.174 60.301 1.873 19151 1381 1 2 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.828 -1.434 19151 1382 1 2 . 1 1 119 119 VAL H H 119 9.520 9.520 8.750 0.770 19151 1383 1 2 . 1 1 120 120 GLY N N 120 116.074 116.074 106.991 9.083 19151 1384 1 2 . 1 1 120 120 GLY C C 120 172.757 172.757 174.224 -1.467 19151 1385 1 2 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.021 -1.123 19151 1386 1 2 . 1 1 120 120 GLY H H 120 8.755 8.755 8.167 0.588 19151 1387 1 2 . 1 1 121 121 GLU N N 121 118.754 118.754 122.807 -4.053 19151 1388 1 2 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.283 0.383 19151 1389 1 2 . 1 1 121 121 GLU C C 121 177.419 177.419 177.285 0.134 19151 1390 1 2 . 1 1 121 121 GLU CA C 121 54.491 54.491 56.391 -1.900 19151 1391 1 2 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.406 1.092 19151 1392 1 2 . 1 1 121 121 GLU H H 121 8.594 8.594 8.452 0.142 19151 1393 1 2 . 1 1 122 122 MET N N 122 122.642 122.642 119.749 2.893 19151 1394 1 2 . 1 1 122 122 MET HA H 122 4.415 4.415 4.776 -0.361 19151 1395 1 2 . 1 1 122 122 MET C C 122 175.351 175.351 175.026 0.325 19151 1396 1 2 . 1 1 122 122 MET CA C 122 57.024 57.024 54.988 2.036 19151 1397 1 2 . 1 1 122 122 MET CB C 122 34.210 34.210 33.130 1.080 19151 1398 1 2 . 1 1 122 122 MET H H 122 8.892 8.892 8.423 0.469 19151 1399 1 2 . 1 1 123 123 LEU N N 123 129.535 129.535 122.096 7.439 19151 1400 1 2 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.366 -0.016 19151 1401 1 2 . 1 1 123 123 LEU C C 123 173.124 173.124 174.561 -1.437 19151 1402 1 2 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.177 0.562 19151 1403 1 2 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.580 -1.502 19151 1404 1 2 . 1 1 123 123 LEU H H 123 7.868 7.868 7.402 0.466 19151 1405 1 2 . 1 1 124 124 LEU N N 124 127.120 127.120 125.620 1.500 19151 1406 1 2 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.743 0.312 19151 1407 1 2 . 1 1 124 124 LEU C C 124 176.379 176.379 176.246 0.133 19151 1408 1 2 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.191 0.359 19151 1409 1 2 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.496 -1.119 19151 1410 1 2 . 1 1 124 124 LEU H H 124 8.346 8.346 8.214 0.132 19151 1411 1 2 . 1 1 125 125 ILE N N 125 124.337 124.337 125.164 -0.827 19151 1412 1 2 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.408 -0.228 19151 1413 1 2 . 1 1 125 125 ILE C C 125 174.303 174.303 174.837 -0.534 19151 1414 1 2 . 1 1 125 125 ILE CA C 125 61.100 61.100 61.437 -0.337 19151 1415 1 2 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.232 -0.289 19151 1416 1 2 . 1 1 125 125 ILE H H 125 8.974 8.974 8.817 0.157 19151 1417 1 2 . 1 1 126 126 ASP N N 126 127.113 127.113 128.644 -1.531 19151 1418 1 2 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.583 -0.468 19151 1419 1 2 . 1 1 126 126 ASP C C 126 176.766 176.766 176.370 0.396 19151 1420 1 2 . 1 1 126 126 ASP CA C 126 51.847 51.847 51.861 -0.014 19151 1421 1 2 . 1 1 126 126 ASP CB C 126 41.100 41.100 42.421 -1.321 19151 1422 1 2 . 1 1 126 126 ASP H H 126 9.397 9.397 8.364 1.033 19151 1423 1 2 . 1 1 127 127 ALA N N 127 131.178 131.178 131.532 -0.354 19151 1424 1 2 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.534 -0.218 19151 1425 1 2 . 1 1 127 127 ALA C C 127 178.530 178.530 178.878 -0.348 19151 1426 1 2 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.031 -0.184 19151 1427 1 2 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.032 -0.240 19151 1428 1 2 . 1 1 127 127 ALA H H 127 9.696 9.696 9.178 0.518 19151 1429 1 2 . 1 1 128 128 SER N N 128 112.064 112.064 112.634 -0.570 19151 1430 1 2 . 1 1 128 128 SER HA H 128 4.224 4.224 4.233 -0.009 19151 1431 1 2 . 1 1 128 128 SER C C 128 175.000 175.000 175.722 -0.722 19151 1432 1 2 . 1 1 128 128 SER CA C 128 61.246 61.246 60.719 0.527 19151 1433 1 2 . 1 1 128 128 SER CB C 128 63.310 63.310 63.562 -0.252 19151 1434 1 2 . 1 1 128 128 SER H H 128 8.373 8.373 8.238 0.135 19151 1435 1 2 . 1 1 129 129 GLU N N 129 119.468 119.468 118.524 0.944 19151 1436 1 2 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.425 -0.025 19151 1437 1 2 . 1 1 129 129 GLU C C 129 175.947 175.947 175.953 -0.006 19151 1438 1 2 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.886 -0.471 19151 1439 1 2 . 1 1 129 129 GLU CB C 129 31.730 31.730 32.056 -0.326 19151 1440 1 2 . 1 1 129 129 GLU H H 129 7.267 7.267 7.580 -0.313 19151 1441 1 2 . 1 1 130 130 ASN N N 130 115.968 115.968 118.377 -2.409 19151 1442 1 2 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.120 0.046 19151 1443 1 2 . 1 1 130 130 ASN C C 130 172.000 172.000 174.018 -2.018 19151 1444 1 2 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.755 -0.532 19151 1445 1 2 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.825 -0.159 19151 1446 1 2 . 1 1 130 130 ASN H H 130 8.072 8.072 8.272 -0.200 19151 1447 1 2 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.469 0.081 19151 1448 1 2 . 1 1 131 131 PRO C C 131 176.400 176.400 176.162 0.238 19151 1449 1 2 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.866 -0.366 19151 1450 1 2 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.636 0.664 19151 1451 1 2 . 1 1 132 132 GLU N N 132 119.000 119.000 119.052 -0.052 19151 1452 1 2 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.792 0.228 19151 1453 1 2 . 1 1 132 132 GLU C C 132 174.200 174.200 175.275 -1.075 19151 1454 1 2 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.102 -0.102 19151 1455 1 2 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.358 0.342 19151 1456 1 2 . 1 1 132 132 GLU H H 132 7.690 7.690 8.083 -0.393 19151 1457 1 2 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.220 -0.220 19151 1458 1 2 . 1 1 133 133 PRO C C 133 177.391 177.391 178.212 -0.821 19151 1459 1 2 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.088 0.381 19151 1460 1 2 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.988 0.157 19151 1461 1 2 . 1 1 134 134 GLU N N 134 122.846 122.846 118.126 4.720 19151 1462 1 2 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.231 0.989 19151 1463 1 2 . 1 1 134 134 GLU C C 134 178.385 178.385 178.740 -0.355 19151 1464 1 2 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.225 -1.633 19151 1465 1 2 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.642 -2.052 19151 1466 1 2 . 1 1 134 134 GLU H H 134 10.707 10.707 8.831 1.876 19151 1467 1 2 . 1 1 135 135 THR N N 135 113.016 113.016 111.668 1.348 19151 1468 1 2 . 1 1 135 135 THR HA H 135 4.182 4.182 4.205 -0.023 19151 1469 1 2 . 1 1 135 135 THR C C 135 176.460 176.460 175.795 0.665 19151 1470 1 2 . 1 1 135 135 THR CA C 135 64.752 64.752 65.037 -0.284 19151 1471 1 2 . 1 1 135 135 THR CB C 135 69.248 69.248 68.806 0.442 19151 1472 1 2 . 1 1 135 135 THR H H 135 8.168 8.168 8.277 -0.109 19151 1473 1 2 . 1 1 136 136 GLU N N 136 118.978 118.978 121.627 -2.649 19151 1474 1 2 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.352 0.212 19151 1475 1 2 . 1 1 136 136 GLU C C 136 178.370 178.370 178.471 -0.101 19151 1476 1 2 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.650 -1.737 19151 1477 1 2 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.283 1.817 19151 1478 1 2 . 1 1 136 136 GLU H H 136 7.680 7.680 7.813 -0.133 19151 1479 1 2 . 1 1 137 137 SER N N 137 116.501 116.501 115.359 1.142 19151 1480 1 2 . 1 1 137 137 SER HA H 137 4.033 4.033 4.254 -0.221 19151 1481 1 2 . 1 1 137 137 SER C C 137 175.670 175.670 176.544 -0.874 19151 1482 1 2 . 1 1 137 137 SER CA C 137 62.330 62.330 61.598 0.732 19151 1483 1 2 . 1 1 137 137 SER CB C 137 61.380 61.380 63.423 -2.043 19151 1484 1 2 . 1 1 137 137 SER H H 137 8.824 8.824 8.218 0.606 19151 1485 1 2 . 1 1 138 138 ASN N N 138 123.517 123.517 121.833 1.684 19151 1486 1 2 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.660 -0.069 19151 1487 1 2 . 1 1 138 138 ASN C C 138 175.700 175.700 175.125 0.575 19151 1488 1 2 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.271 0.215 19151 1489 1 2 . 1 1 138 138 ASN CB C 138 34.253 34.253 36.706 -2.453 19151 1490 1 2 . 1 1 138 138 ASN H H 138 8.564 8.564 8.591 -0.027 19151 1491 1 2 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.378 0.077 19151 1492 1 2 . 1 1 139 139 PRO C C 139 180.033 180.033 178.672 1.361 19151 1493 1 2 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.376 0.234 19151 1494 1 2 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.221 -0.686 19151 1495 1 2 . 1 1 140 140 TRP N N 140 119.700 119.700 121.490 -1.790 19151 1496 1 2 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.330 0.003 19151 1497 1 2 . 1 1 140 140 TRP C C 140 179.195 179.195 177.806 1.389 19151 1498 1 2 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.748 0.432 19151 1499 1 2 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.575 1.176 19151 1500 1 2 . 1 1 140 140 TRP H H 140 7.057 7.057 7.409 -0.352 19151 1501 1 2 . 1 1 141 141 VAL N N 141 122.879 122.879 119.140 3.739 19151 1502 1 2 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.776 -0.040 19151 1503 1 2 . 1 1 141 141 VAL C C 141 177.416 177.416 178.884 -1.468 19151 1504 1 2 . 1 1 141 141 VAL CA C 141 66.716 66.716 66.830 -0.114 19151 1505 1 2 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.043 0.389 19151 1506 1 2 . 1 1 141 141 VAL H H 141 9.629 9.629 8.983 0.646 19151 1507 1 2 . 1 1 142 142 GLU N N 142 119.965 119.965 119.061 0.904 19151 1508 1 2 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.112 -0.380 19151 1509 1 2 . 1 1 142 142 GLU C C 142 178.800 178.800 178.314 0.486 19151 1510 1 2 . 1 1 142 142 GLU CA C 142 59.332 59.332 58.830 0.502 19151 1511 1 2 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.837 -0.277 19151 1512 1 2 . 1 1 142 142 GLU H H 142 8.551 8.551 8.333 0.218 19151 1513 1 2 . 1 1 143 143 HIS N N 143 115.364 115.364 118.074 -2.710 19151 1514 1 2 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.418 -0.128 19151 1515 1 2 . 1 1 143 143 HIS C C 143 177.840 177.840 176.996 0.844 19151 1516 1 2 . 1 1 143 143 HIS CA C 143 59.363 59.363 57.990 1.373 19151 1517 1 2 . 1 1 143 143 HIS CB C 143 29.362 29.362 30.664 -1.302 19151 1518 1 2 . 1 1 143 143 HIS H H 143 7.380 7.380 7.866 -0.486 19151 1519 1 2 . 1 1 144 144 TRP N N 144 126.680 126.680 122.402 4.278 19151 1520 1 2 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.976 -0.642 19151 1521 1 2 . 1 1 144 144 TRP C C 144 178.200 178.200 178.295 -0.095 19151 1522 1 2 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.653 2.307 19151 1523 1 2 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.254 0.271 19151 1524 1 2 . 1 1 144 144 TRP H H 144 9.215 9.215 8.764 0.451 19151 1525 1 2 . 1 1 145 145 GLY N N 145 100.130 100.130 105.554 -5.424 19151 1526 1 2 . 1 1 145 145 GLY C C 145 177.391 177.391 175.419 1.972 19151 1527 1 2 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.045 -0.285 19151 1528 1 2 . 1 1 145 145 GLY H H 145 8.834 8.834 8.620 0.214 19151 1529 1 2 . 1 1 146 146 THR N N 146 110.831 110.831 113.092 -2.261 19151 1530 1 2 . 1 1 146 146 THR HA H 146 4.319 4.319 4.059 0.260 19151 1531 1 2 . 1 1 146 146 THR C C 146 175.574 175.574 175.621 -0.047 19151 1532 1 2 . 1 1 146 146 THR CA C 146 63.260 63.260 63.878 -0.618 19151 1533 1 2 . 1 1 146 146 THR CB C 146 69.660 69.660 68.576 1.085 19151 1534 1 2 . 1 1 146 146 THR H H 146 7.594 7.594 7.582 0.012 19151 1535 1 2 . 1 1 147 147 LEU N N 147 120.678 120.678 120.380 0.298 19151 1536 1 2 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.135 -0.077 19151 1537 1 2 . 1 1 147 147 LEU C C 147 177.176 177.176 176.374 0.802 19151 1538 1 2 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.431 -1.117 19151 1539 1 2 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.571 -0.343 19151 1540 1 2 . 1 1 147 147 LEU H H 147 7.458 7.458 7.461 -0.003 19151 1541 1 2 . 1 1 148 148 LEU N N 148 117.062 117.062 118.549 -1.487 19151 1542 1 2 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.877 -0.159 19151 1543 1 2 . 1 1 148 148 LEU C C 148 175.570 175.570 176.658 -1.088 19151 1544 1 2 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.263 -0.312 19151 1545 1 2 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.151 -1.551 19151 1546 1 2 . 1 1 148 148 LEU H H 148 6.482 6.482 6.889 -0.407 19151 1547 1 3 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.613 -0.384 19151 1548 1 3 . 1 1 2 2 ALA C C 2 173.315 173.315 174.754 -1.439 19151 1549 1 3 . 1 1 2 2 ALA CA C 2 51.580 51.580 52.049 -0.469 19151 1550 1 3 . 1 1 2 2 ALA CB C 2 20.223 20.223 22.416 -2.193 19151 1551 1 3 . 1 1 3 3 GLU N N 3 121.874 121.874 119.564 2.310 19151 1552 1 3 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.165 0.109 19151 1553 1 3 . 1 1 3 3 GLU C C 3 174.545 174.545 174.980 -0.435 19151 1554 1 3 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.366 0.484 19151 1555 1 3 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.480 -0.760 19151 1556 1 3 . 1 1 3 3 GLU H H 3 8.696 8.696 8.430 0.266 19151 1557 1 3 . 1 1 4 4 ILE N N 4 120.672 120.672 125.062 -4.390 19151 1558 1 3 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.675 0.434 19151 1559 1 3 . 1 1 4 4 ILE C C 4 175.463 175.463 174.918 0.545 19151 1560 1 3 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.171 -0.338 19151 1561 1 3 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.422 3.248 19151 1562 1 3 . 1 1 4 4 ILE H H 4 8.860 8.860 8.810 0.050 19151 1563 1 3 . 1 1 5 5 GLY N N 5 119.310 119.310 114.803 4.507 19151 1564 1 3 . 1 1 5 5 GLY C C 5 171.260 171.260 172.799 -1.539 19151 1565 1 3 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.449 0.371 19151 1566 1 3 . 1 1 5 5 GLY H H 5 8.469 8.469 8.186 0.283 19151 1567 1 3 . 1 1 6 6 ILE N N 6 126.915 126.915 125.944 0.971 19151 1568 1 3 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.072 0.118 19151 1569 1 3 . 1 1 6 6 ILE C C 6 173.901 173.901 174.407 -0.506 19151 1570 1 3 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.555 -0.555 19151 1571 1 3 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.875 -1.875 19151 1572 1 3 . 1 1 6 6 ILE H H 6 9.056 9.056 9.169 -0.113 19151 1573 1 3 . 1 1 7 7 PHE N N 7 127.354 127.354 127.556 -0.202 19151 1574 1 3 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.006 -0.494 19151 1575 1 3 . 1 1 7 7 PHE C C 7 174.230 174.230 174.320 -0.090 19151 1576 1 3 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.675 1.735 19151 1577 1 3 . 1 1 7 7 PHE CB C 7 41.728 41.728 41.116 0.612 19151 1578 1 3 . 1 1 7 7 PHE H H 7 8.960 8.960 9.600 -0.640 19151 1579 1 3 . 1 1 8 8 VAL N N 8 127.270 127.270 125.089 2.181 19151 1580 1 3 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.074 -0.014 19151 1581 1 3 . 1 1 8 8 VAL C C 8 175.450 175.450 174.968 0.482 19151 1582 1 3 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.190 1.010 19151 1583 1 3 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.084 0.353 19151 1584 1 3 . 1 1 8 8 VAL H H 8 8.581 8.581 7.790 0.791 19151 1585 1 3 . 1 1 9 9 GLY N N 9 115.000 115.000 114.453 0.547 19151 1586 1 3 . 1 1 9 9 GLY C C 9 173.150 173.150 172.034 1.116 19151 1587 1 3 . 1 1 9 9 GLY CA C 9 45.000 45.000 43.792 1.208 19151 1588 1 3 . 1 1 9 9 GLY H H 9 9.393 9.393 8.819 0.574 19151 1589 1 3 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.536 0.159 19151 1590 1 3 . 1 1 12 12 TYR C C 12 176.560 176.560 176.491 0.069 19151 1591 1 3 . 1 1 12 12 TYR CA C 12 57.750 57.750 58.328 -0.578 19151 1592 1 3 . 1 1 12 12 TYR CB C 12 38.000 38.000 39.939 -1.939 19151 1593 1 3 . 1 1 13 13 GLY N N 13 109.870 109.870 110.322 -0.452 19151 1594 1 3 . 1 1 13 13 GLY C C 13 175.930 175.930 173.198 2.732 19151 1595 1 3 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.884 1.116 19151 1596 1 3 . 1 1 13 13 GLY H H 13 8.500 8.500 7.711 0.789 19151 1597 1 3 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.159 0.071 19151 1598 1 3 . 1 1 17 17 LEU C C 17 179.210 179.210 178.045 1.165 19151 1599 1 3 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.921 0.479 19151 1600 1 3 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.349 -0.049 19151 1601 1 3 . 1 1 18 18 VAL N N 18 117.231 117.231 117.229 0.002 19151 1602 1 3 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.633 -0.310 19151 1603 1 3 . 1 1 18 18 VAL C C 18 178.460 178.460 178.290 0.170 19151 1604 1 3 . 1 1 18 18 VAL CA C 18 66.866 66.866 65.813 1.053 19151 1605 1 3 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.715 0.745 19151 1606 1 3 . 1 1 18 18 VAL H H 18 7.645 7.645 8.065 -0.420 19151 1607 1 3 . 1 1 19 19 ALA N N 19 121.820 121.820 121.320 0.500 19151 1608 1 3 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.984 -0.168 19151 1609 1 3 . 1 1 19 19 ALA C C 19 178.180 178.180 179.466 -1.286 19151 1610 1 3 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.520 0.056 19151 1611 1 3 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.221 1.779 19151 1612 1 3 . 1 1 19 19 ALA H H 19 8.010 8.010 7.914 0.096 19151 1613 1 3 . 1 1 20 20 GLU N N 20 118.960 118.960 117.995 0.965 19151 1614 1 3 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.018 -0.002 19151 1615 1 3 . 1 1 20 20 GLU C C 20 180.950 180.950 179.264 1.686 19151 1616 1 3 . 1 1 20 20 GLU CA C 20 59.666 59.666 58.916 0.750 19151 1617 1 3 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.346 -0.046 19151 1618 1 3 . 1 1 20 20 GLU H H 20 8.700 8.700 7.947 0.753 19151 1619 1 3 . 1 1 21 21 GLU N N 21 121.371 121.371 120.176 1.195 19151 1620 1 3 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.051 -0.007 19151 1621 1 3 . 1 1 21 21 GLU C C 21 179.419 179.419 178.904 0.515 19151 1622 1 3 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.332 -0.022 19151 1623 1 3 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.265 0.297 19151 1624 1 3 . 1 1 21 21 GLU H H 21 8.632 8.632 8.202 0.430 19151 1625 1 3 . 1 1 22 22 ALA N N 22 121.329 121.329 122.240 -0.911 19151 1626 1 3 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.059 -0.001 19151 1627 1 3 . 1 1 22 22 ALA C C 22 178.823 178.823 179.358 -0.535 19151 1628 1 3 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.720 -1.043 19151 1629 1 3 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.103 -0.460 19151 1630 1 3 . 1 1 22 22 ALA H H 22 8.182 8.182 8.532 -0.350 19151 1631 1 3 . 1 1 23 23 GLU N N 23 119.035 119.035 119.626 -0.591 19151 1632 1 3 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.020 -0.616 19151 1633 1 3 . 1 1 23 23 GLU C C 23 178.375 178.375 178.567 -0.192 19151 1634 1 3 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.672 0.636 19151 1635 1 3 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.437 -0.507 19151 1636 1 3 . 1 1 23 23 GLU H H 23 8.387 8.387 8.011 0.376 19151 1637 1 3 . 1 1 24 24 ALA N N 24 122.207 122.207 122.095 0.112 19151 1638 1 3 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.111 -0.081 19151 1639 1 3 . 1 1 24 24 ALA C C 24 181.132 181.132 179.924 1.208 19151 1640 1 3 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.050 0.437 19151 1641 1 3 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.610 -0.610 19151 1642 1 3 . 1 1 24 24 ALA H H 24 7.535 7.535 7.812 -0.277 19151 1643 1 3 . 1 1 25 25 ILE N N 25 121.059 121.059 120.140 0.919 19151 1644 1 3 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.754 -0.090 19151 1645 1 3 . 1 1 25 25 ILE C C 25 178.419 178.419 177.876 0.543 19151 1646 1 3 . 1 1 25 25 ILE CA C 25 65.108 65.108 65.913 -0.805 19151 1647 1 3 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.183 0.780 19151 1648 1 3 . 1 1 25 25 ILE H H 25 7.800 7.800 8.541 -0.741 19151 1649 1 3 . 1 1 26 26 LEU N N 26 119.307 119.307 120.870 -1.563 19151 1650 1 3 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.140 0.036 19151 1651 1 3 . 1 1 26 26 LEU C C 26 179.863 179.863 179.694 0.169 19151 1652 1 3 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.510 -0.564 19151 1653 1 3 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.260 -0.120 19151 1654 1 3 . 1 1 26 26 LEU H H 26 8.509 8.509 8.433 0.076 19151 1655 1 3 . 1 1 27 27 THR N N 27 117.830 117.830 115.902 1.928 19151 1656 1 3 . 1 1 27 27 THR HA H 27 4.524 4.524 4.242 0.282 19151 1657 1 3 . 1 1 27 27 THR C C 27 179.027 179.027 176.365 2.662 19151 1658 1 3 . 1 1 27 27 THR CA C 27 66.000 66.000 66.510 -0.510 19151 1659 1 3 . 1 1 27 27 THR CB C 27 68.600 68.600 68.869 -0.269 19151 1660 1 3 . 1 1 27 27 THR H H 27 8.796 8.796 8.407 0.389 19151 1661 1 3 . 1 1 28 28 ALA N N 28 126.313 126.313 122.425 3.888 19151 1662 1 3 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.129 0.076 19151 1663 1 3 . 1 1 28 28 ALA C C 28 179.360 179.360 179.484 -0.124 19151 1664 1 3 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.294 0.707 19151 1665 1 3 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.297 -0.647 19151 1666 1 3 . 1 1 28 28 ALA H H 28 7.832 7.832 7.820 0.012 19151 1667 1 3 . 1 1 29 29 GLN N N 29 115.527 115.527 116.017 -0.490 19151 1668 1 3 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.156 -0.029 19151 1669 1 3 . 1 1 29 29 GLN C C 29 176.547 176.547 176.978 -0.431 19151 1670 1 3 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.707 -0.144 19151 1671 1 3 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.769 -0.359 19151 1672 1 3 . 1 1 29 29 GLN H H 29 7.353 7.353 8.286 -0.933 19151 1673 1 3 . 1 1 30 30 GLY N N 30 105.961 105.961 107.106 -1.145 19151 1674 1 3 . 1 1 30 30 GLY C C 30 174.785 174.785 173.122 1.663 19151 1675 1 3 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.574 -0.074 19151 1676 1 3 . 1 1 30 30 GLY H H 30 7.923 7.923 7.762 0.161 19151 1677 1 3 . 1 1 31 31 HIS N N 31 119.471 119.471 118.142 1.329 19151 1678 1 3 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.938 -0.103 19151 1679 1 3 . 1 1 31 31 HIS C C 31 174.665 174.665 175.005 -0.340 19151 1680 1 3 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.070 1.772 19151 1681 1 3 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.907 0.093 19151 1682 1 3 . 1 1 31 31 HIS H H 31 7.558 7.558 8.212 -0.654 19151 1683 1 3 . 1 1 32 32 LYS N N 32 121.854 121.854 122.620 -0.766 19151 1684 1 3 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.492 0.231 19151 1685 1 3 . 1 1 32 32 LYS C C 32 174.466 174.466 175.378 -0.912 19151 1686 1 3 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.862 0.003 19151 1687 1 3 . 1 1 32 32 LYS CB C 32 32.960 32.960 30.310 2.650 19151 1688 1 3 . 1 1 32 32 LYS H H 32 8.665 8.665 8.803 -0.138 19151 1689 1 3 . 1 1 33 33 ALA N N 33 130.188 130.188 125.776 4.412 19151 1690 1 3 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.217 0.601 19151 1691 1 3 . 1 1 33 33 ALA C C 33 175.567 175.567 176.968 -1.401 19151 1692 1 3 . 1 1 33 33 ALA CA C 33 49.976 49.976 51.420 -1.444 19151 1693 1 3 . 1 1 33 33 ALA CB C 33 22.297 22.297 20.618 1.679 19151 1694 1 3 . 1 1 33 33 ALA H H 33 8.837 8.837 8.093 0.744 19151 1695 1 3 . 1 1 34 34 THR N N 34 117.164 117.164 117.304 -0.140 19151 1696 1 3 . 1 1 34 34 THR HA H 34 4.359 4.359 4.575 -0.216 19151 1697 1 3 . 1 1 34 34 THR C C 34 171.315 171.315 172.606 -1.291 19151 1698 1 3 . 1 1 34 34 THR CA C 34 61.840 61.840 60.846 0.994 19151 1699 1 3 . 1 1 34 34 THR CB C 34 71.800 71.800 72.416 -0.616 19151 1700 1 3 . 1 1 34 34 THR H H 34 7.826 7.826 8.898 -1.072 19151 1701 1 3 . 1 1 35 35 VAL N N 35 126.650 126.650 125.021 1.629 19151 1702 1 3 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.543 -0.360 19151 1703 1 3 . 1 1 35 35 VAL C C 35 174.675 174.675 174.125 0.550 19151 1704 1 3 . 1 1 35 35 VAL CA C 35 61.928 61.928 60.477 1.451 19151 1705 1 3 . 1 1 35 35 VAL CB C 35 32.650 32.650 33.521 -0.871 19151 1706 1 3 . 1 1 35 35 VAL H H 35 8.496 8.496 8.212 0.284 19151 1707 1 3 . 1 1 36 36 PHE N N 36 127.630 127.630 126.784 0.846 19151 1708 1 3 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.753 -0.202 19151 1709 1 3 . 1 1 36 36 PHE C C 36 174.347 174.347 174.121 0.226 19151 1710 1 3 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.703 0.779 19151 1711 1 3 . 1 1 36 36 PHE CB C 36 40.165 40.165 41.798 -1.633 19151 1712 1 3 . 1 1 36 36 PHE H H 36 9.164 9.164 9.091 0.073 19151 1713 1 3 . 1 1 37 37 GLU N N 37 123.516 123.516 122.313 1.203 19151 1714 1 3 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.510 -0.040 19151 1715 1 3 . 1 1 37 37 GLU C C 37 175.954 175.954 176.348 -0.394 19151 1716 1 3 . 1 1 37 37 GLU CA C 37 55.719 55.719 55.689 0.030 19151 1717 1 3 . 1 1 37 37 GLU CB C 37 31.460 31.460 31.010 0.450 19151 1718 1 3 . 1 1 37 37 GLU H H 37 8.455 8.455 8.608 -0.153 19151 1719 1 3 . 1 1 38 38 ASP N N 38 120.395 120.395 122.222 -1.827 19151 1720 1 3 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.415 0.418 19151 1721 1 3 . 1 1 38 38 ASP C C 38 173.920 173.920 174.744 -0.824 19151 1722 1 3 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.335 0.142 19151 1723 1 3 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.551 0.053 19151 1724 1 3 . 1 1 38 38 ASP H H 38 9.602 9.602 8.526 1.076 19151 1725 1 3 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.677 0.003 19151 1726 1 3 . 1 1 39 39 PRO C C 39 176.274 176.274 176.126 0.148 19151 1727 1 3 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.352 -0.368 19151 1728 1 3 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.413 0.987 19151 1729 1 3 . 1 1 40 40 GLU N N 40 119.026 119.026 120.342 -1.316 19151 1730 1 3 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.680 0.048 19151 1731 1 3 . 1 1 40 40 GLU C C 40 177.827 177.827 178.318 -0.491 19151 1732 1 3 . 1 1 40 40 GLU CA C 40 53.970 53.970 53.948 0.022 19151 1733 1 3 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.479 1.921 19151 1734 1 3 . 1 1 40 40 GLU H H 40 9.178 9.178 8.887 0.291 19151 1735 1 3 . 1 1 41 41 LEU N N 41 123.708 123.708 123.883 -0.175 19151 1736 1 3 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.268 -0.374 19151 1737 1 3 . 1 1 41 41 LEU C C 41 178.730 178.730 177.472 1.258 19151 1738 1 3 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.430 0.977 19151 1739 1 3 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.618 0.035 19151 1740 1 3 . 1 1 41 41 LEU H H 41 9.160 9.160 8.635 0.525 19151 1741 1 3 . 1 1 42 42 SER N N 42 110.500 110.500 112.333 -1.833 19151 1742 1 3 . 1 1 42 42 SER HA H 42 4.010 4.010 4.253 -0.243 19151 1743 1 3 . 1 1 42 42 SER C C 42 176.300 176.300 175.383 0.917 19151 1744 1 3 . 1 1 42 42 SER CA C 42 61.600 61.600 60.642 0.959 19151 1745 1 3 . 1 1 42 42 SER CB C 42 62.140 62.140 62.760 -0.620 19151 1746 1 3 . 1 1 42 42 SER H H 42 8.415 8.415 8.390 0.025 19151 1747 1 3 . 1 1 43 43 ASP N N 43 119.770 119.770 121.581 -1.811 19151 1748 1 3 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.631 -0.174 19151 1749 1 3 . 1 1 43 43 ASP C C 43 176.150 176.150 176.241 -0.091 19151 1750 1 3 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.538 1.212 19151 1751 1 3 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.947 1.753 19151 1752 1 3 . 1 1 43 43 ASP H H 43 7.690 7.690 8.033 -0.343 19151 1753 1 3 . 1 1 44 44 TRP N N 44 118.500 118.500 121.153 -2.653 19151 1754 1 3 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.635 -0.425 19151 1755 1 3 . 1 1 44 44 TRP C C 44 177.150 177.150 177.611 -0.461 19151 1756 1 3 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.306 1.081 19151 1757 1 3 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.538 -0.228 19151 1758 1 3 . 1 1 44 44 TRP H H 44 7.464 7.464 7.337 0.127 19151 1759 1 3 . 1 1 45 45 LEU N N 45 114.100 114.100 120.815 -6.715 19151 1760 1 3 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.054 0.121 19151 1761 1 3 . 1 1 45 45 LEU C C 45 176.300 176.300 175.849 0.451 19151 1762 1 3 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.220 -0.660 19151 1763 1 3 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.318 -0.098 19151 1764 1 3 . 1 1 45 45 LEU H H 45 7.550 7.550 8.291 -0.741 19151 1765 1 3 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.129 0.251 19151 1766 1 3 . 1 1 46 46 PRO C C 46 176.799 176.799 177.629 -0.830 19151 1767 1 3 . 1 1 46 46 PRO CA C 46 65.287 65.287 65.069 0.218 19151 1768 1 3 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.254 0.346 19151 1769 1 3 . 1 1 47 47 TYR N N 47 113.790 113.790 114.537 -0.747 19151 1770 1 3 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.654 -0.534 19151 1771 1 3 . 1 1 47 47 TYR C C 47 175.730 175.730 177.609 -1.879 19151 1772 1 3 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.500 1.700 19151 1773 1 3 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.983 0.033 19151 1774 1 3 . 1 1 47 47 TYR H H 47 8.291 8.291 8.043 0.248 19151 1775 1 3 . 1 1 48 48 GLN N N 48 116.524 116.524 120.157 -3.633 19151 1776 1 3 . 1 1 48 48 GLN HA H 48 3.885 3.885 4.029 -0.144 19151 1777 1 3 . 1 1 48 48 GLN C C 48 174.381 174.381 176.268 -1.887 19151 1778 1 3 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.205 0.621 19151 1779 1 3 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.873 2.127 19151 1780 1 3 . 1 1 48 48 GLN H H 48 7.300 7.300 7.476 -0.176 19151 1781 1 3 . 1 1 49 49 ASP N N 49 114.657 114.657 113.063 1.594 19151 1782 1 3 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.731 -0.044 19151 1783 1 3 . 1 1 49 49 ASP C C 49 176.307 176.307 175.419 0.888 19151 1784 1 3 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.767 -2.032 19151 1785 1 3 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.206 -1.006 19151 1786 1 3 . 1 1 49 49 ASP H H 49 7.854 7.854 8.327 -0.473 19151 1787 1 3 . 1 1 50 50 LYS N N 50 123.514 123.514 118.879 4.635 19151 1788 1 3 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.659 -0.069 19151 1789 1 3 . 1 1 50 50 LYS C C 50 172.964 172.964 175.577 -2.613 19151 1790 1 3 . 1 1 50 50 LYS CA C 50 54.693 54.693 54.300 0.393 19151 1791 1 3 . 1 1 50 50 LYS CB C 50 33.500 33.500 35.032 -1.532 19151 1792 1 3 . 1 1 50 50 LYS H H 50 7.833 7.833 7.524 0.309 19151 1793 1 3 . 1 1 51 51 TYR N N 51 118.375 118.375 116.009 2.366 19151 1794 1 3 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.715 0.340 19151 1795 1 3 . 1 1 51 51 TYR C C 51 175.875 175.875 176.430 -0.555 19151 1796 1 3 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.549 0.872 19151 1797 1 3 . 1 1 51 51 TYR CB C 51 42.477 42.477 40.316 2.161 19151 1798 1 3 . 1 1 51 51 TYR H H 51 7.745 7.745 8.193 -0.448 19151 1799 1 3 . 1 1 52 52 VAL N N 52 112.527 112.527 114.700 -2.173 19151 1800 1 3 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.970 0.530 19151 1801 1 3 . 1 1 52 52 VAL C C 52 173.910 173.910 174.284 -0.374 19151 1802 1 3 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.768 -2.072 19151 1803 1 3 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.321 1.171 19151 1804 1 3 . 1 1 52 52 VAL H H 52 8.673 8.673 8.390 0.283 19151 1805 1 3 . 1 1 53 53 LEU N N 53 124.294 124.294 122.985 1.309 19151 1806 1 3 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.041 -0.141 19151 1807 1 3 . 1 1 53 53 LEU C C 53 175.070 175.070 174.365 0.705 19151 1808 1 3 . 1 1 53 53 LEU CA C 53 52.566 52.566 54.044 -1.478 19151 1809 1 3 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.479 -1.249 19151 1810 1 3 . 1 1 53 53 LEU H H 53 9.137 9.137 9.137 0.000 19151 1811 1 3 . 1 1 54 54 VAL N N 54 127.850 127.850 126.965 0.885 19151 1812 1 3 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.734 -0.224 19151 1813 1 3 . 1 1 54 54 VAL C C 54 174.030 174.030 174.416 -0.386 19151 1814 1 3 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.011 0.814 19151 1815 1 3 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.504 -0.813 19151 1816 1 3 . 1 1 54 54 VAL H H 54 8.619 8.619 8.903 -0.284 19151 1817 1 3 . 1 1 55 55 VAL N N 55 127.181 127.181 128.277 -1.096 19151 1818 1 3 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.779 0.306 19151 1819 1 3 . 1 1 55 55 VAL C C 55 174.942 174.942 174.697 0.245 19151 1820 1 3 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.616 -0.547 19151 1821 1 3 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.822 -0.600 19151 1822 1 3 . 1 1 55 55 VAL H H 55 8.578 8.578 9.054 -0.476 19151 1823 1 3 . 1 1 56 56 THR N N 56 117.420 117.420 118.813 -1.393 19151 1824 1 3 . 1 1 56 56 THR HA H 56 5.590 5.590 5.060 0.530 19151 1825 1 3 . 1 1 56 56 THR C C 56 172.640 172.640 174.741 -2.101 19151 1826 1 3 . 1 1 56 56 THR CA C 56 59.359 59.359 59.539 -0.180 19151 1827 1 3 . 1 1 56 56 THR CB C 56 70.715 70.715 70.202 0.513 19151 1828 1 3 . 1 1 56 56 THR H H 56 8.710 8.710 8.923 -0.213 19151 1829 1 3 . 1 1 57 57 SER HA H 57 5.250 5.250 4.445 0.805 19151 1830 1 3 . 1 1 57 57 SER CA C 57 57.730 57.730 61.676 -3.946 19151 1831 1 3 . 1 1 57 57 SER CB C 57 64.500 64.500 63.672 0.828 19151 1832 1 3 . 1 1 57 57 SER H H 57 8.075 8.075 9.170 -1.095 19151 1833 1 3 . 1 1 58 58 THR H H 58 7.900 7.900 7.795 0.105 19151 1834 1 3 . 1 1 59 59 THR HA H 59 4.900 4.900 3.952 0.948 19151 1835 1 3 . 1 1 59 59 THR CA C 59 61.200 61.200 62.637 -1.437 19151 1836 1 3 . 1 1 59 59 THR CB C 59 73.400 73.400 68.017 5.383 19151 1837 1 3 . 1 1 59 59 THR H H 59 9.230 9.230 8.097 1.133 19151 1838 1 3 . 1 1 60 60 GLY CA C 60 46.500 46.500 44.397 2.103 19151 1839 1 3 . 1 1 61 61 GLN HA H 61 4.406 4.406 3.704 0.702 19151 1840 1 3 . 1 1 61 61 GLN C C 61 175.950 175.950 176.051 -0.101 19151 1841 1 3 . 1 1 61 61 GLN CA C 61 55.350 55.350 56.696 -1.346 19151 1842 1 3 . 1 1 61 61 GLN CB C 61 29.160 29.160 26.571 2.589 19151 1843 1 3 . 1 1 62 62 GLY N N 62 108.420 108.420 104.213 4.207 19151 1844 1 3 . 1 1 62 62 GLY C C 62 173.134 173.134 173.682 -0.548 19151 1845 1 3 . 1 1 62 62 GLY CA C 62 45.784 45.784 45.050 0.734 19151 1846 1 3 . 1 1 62 62 GLY H H 62 8.073 8.073 8.089 -0.016 19151 1847 1 3 . 1 1 63 63 ASP N N 63 118.400 118.400 119.583 -1.183 19151 1848 1 3 . 1 1 63 63 ASP HA H 63 4.780 4.780 5.055 -0.275 19151 1849 1 3 . 1 1 63 63 ASP CA C 63 53.296 53.296 53.340 -0.044 19151 1850 1 3 . 1 1 63 63 ASP CB C 63 42.740 42.740 43.489 -0.748 19151 1851 1 3 . 1 1 63 63 ASP H H 63 7.248 7.248 7.837 -0.589 19151 1852 1 3 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.520 -0.120 19151 1853 1 3 . 1 1 64 64 LEU CA C 64 53.150 53.150 52.629 0.521 19151 1854 1 3 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.236 -0.549 19151 1855 1 3 . 1 1 64 64 LEU H H 64 8.445 8.445 8.242 0.203 19151 1856 1 3 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.624 -0.331 19151 1857 1 3 . 1 1 65 65 PRO CA C 65 62.344 62.344 61.881 0.463 19151 1858 1 3 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.813 -0.333 19151 1859 1 3 . 1 1 66 66 ASP N N 66 121.200 121.200 119.083 2.117 19151 1860 1 3 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.384 -0.124 19151 1861 1 3 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.299 1.331 19151 1862 1 3 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.497 0.303 19151 1863 1 3 . 1 1 66 66 ASP H H 66 8.605 8.605 8.647 -0.042 19151 1864 1 3 . 1 1 67 67 SER HA H 67 4.292 4.292 4.353 -0.061 19151 1865 1 3 . 1 1 67 67 SER C C 67 175.650 175.650 174.578 1.072 19151 1866 1 3 . 1 1 67 67 SER CA C 67 60.500 60.500 61.177 -0.677 19151 1867 1 3 . 1 1 67 67 SER CB C 67 63.530 63.530 63.710 -0.180 19151 1868 1 3 . 1 1 68 68 ILE N N 68 120.550 120.550 120.764 -0.214 19151 1869 1 3 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.440 0.670 19151 1870 1 3 . 1 1 68 68 ILE C C 68 174.713 174.713 176.375 -1.662 19151 1871 1 3 . 1 1 68 68 ILE CA C 68 60.400 60.400 61.128 -0.728 19151 1872 1 3 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.095 4.145 19151 1873 1 3 . 1 1 68 68 ILE H H 68 7.870 7.870 7.777 0.093 19151 1874 1 3 . 1 1 69 69 VAL N N 69 125.740 125.740 123.752 1.988 19151 1875 1 3 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.731 0.014 19151 1876 1 3 . 1 1 69 69 VAL C C 69 174.500 174.500 174.780 -0.280 19151 1877 1 3 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.574 -1.024 19151 1878 1 3 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.119 1.011 19151 1879 1 3 . 1 1 69 69 VAL H H 69 7.428 7.428 8.266 -0.838 19151 1880 1 3 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.310 -0.018 19151 1881 1 3 . 1 1 70 70 PRO C C 70 180.820 180.820 179.008 1.812 19151 1882 1 3 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.104 0.366 19151 1883 1 3 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.225 -0.568 19151 1884 1 3 . 1 1 71 71 LEU N N 71 119.467 119.467 120.486 -1.019 19151 1885 1 3 . 1 1 71 71 LEU HA H 71 3.845 3.845 3.987 -0.142 19151 1886 1 3 . 1 1 71 71 LEU C C 71 176.489 176.489 178.051 -1.562 19151 1887 1 3 . 1 1 71 71 LEU CA C 71 58.207 58.207 58.094 0.113 19151 1888 1 3 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.743 -0.257 19151 1889 1 3 . 1 1 71 71 LEU H H 71 7.918 7.918 7.393 0.525 19151 1890 1 3 . 1 1 72 72 PHE N N 72 119.361 119.361 119.348 0.013 19151 1891 1 3 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.329 -0.184 19151 1892 1 3 . 1 1 72 72 PHE C C 72 175.968 175.968 177.157 -1.189 19151 1893 1 3 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.687 0.134 19151 1894 1 3 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.642 0.905 19151 1895 1 3 . 1 1 72 72 PHE H H 72 7.903 7.903 8.608 -0.705 19151 1896 1 3 . 1 1 73 73 GLN N N 73 116.100 116.100 116.903 -0.803 19151 1897 1 3 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.793 -0.266 19151 1898 1 3 . 1 1 73 73 GLN C C 73 177.871 177.871 178.712 -0.841 19151 1899 1 3 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.885 -0.745 19151 1900 1 3 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.099 0.048 19151 1901 1 3 . 1 1 73 73 GLN H H 73 9.042 9.042 8.904 0.138 19151 1902 1 3 . 1 1 74 74 GLY N N 74 107.110 107.110 108.148 -1.038 19151 1903 1 3 . 1 1 74 74 GLY C C 74 175.894 175.894 176.496 -0.602 19151 1904 1 3 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.746 0.534 19151 1905 1 3 . 1 1 74 74 GLY H H 74 8.045 8.045 7.979 0.066 19151 1906 1 3 . 1 1 75 75 ILE N N 75 123.629 123.629 122.804 0.825 19151 1907 1 3 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.390 -0.340 19151 1908 1 3 . 1 1 75 75 ILE C C 75 178.622 178.622 177.061 1.561 19151 1909 1 3 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.744 0.513 19151 1910 1 3 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.425 0.543 19151 1911 1 3 . 1 1 75 75 ILE H H 75 8.174 8.174 8.127 0.047 19151 1912 1 3 . 1 1 76 76 LYS N N 76 119.363 119.363 118.508 0.855 19151 1913 1 3 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.807 -0.502 19151 1914 1 3 . 1 1 76 76 LYS C C 76 177.909 177.909 178.098 -0.189 19151 1915 1 3 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.223 0.482 19151 1916 1 3 . 1 1 76 76 LYS CB C 76 32.350 32.350 32.018 0.332 19151 1917 1 3 . 1 1 76 76 LYS H H 76 7.600 7.600 7.517 0.083 19151 1918 1 3 . 1 1 77 77 ASP N N 77 115.190 115.190 117.420 -2.230 19151 1919 1 3 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.638 -0.156 19151 1920 1 3 . 1 1 77 77 ASP C C 77 178.825 178.825 177.901 0.924 19151 1921 1 3 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.674 0.606 19151 1922 1 3 . 1 1 77 77 ASP CB C 77 41.190 41.190 42.031 -0.841 19151 1923 1 3 . 1 1 77 77 ASP H H 77 8.482 8.482 8.240 0.242 19151 1924 1 3 . 1 1 78 78 SER N N 78 112.576 112.576 116.228 -3.652 19151 1925 1 3 . 1 1 78 78 SER HA H 78 4.728 4.728 4.386 0.342 19151 1926 1 3 . 1 1 78 78 SER C C 78 174.556 174.556 175.093 -0.537 19151 1927 1 3 . 1 1 78 78 SER CA C 78 60.045 60.045 60.596 -0.551 19151 1928 1 3 . 1 1 78 78 SER CB C 78 64.643 64.643 63.956 0.687 19151 1929 1 3 . 1 1 78 78 SER H H 78 8.273 8.273 7.939 0.334 19151 1930 1 3 . 1 1 79 79 LEU N N 79 120.833 120.833 121.228 -0.395 19151 1931 1 3 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.382 0.433 19151 1932 1 3 . 1 1 79 79 LEU C C 79 176.251 176.251 178.809 -2.558 19151 1933 1 3 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.488 -2.528 19151 1934 1 3 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.177 -2.981 19151 1935 1 3 . 1 1 79 79 LEU H H 79 7.025 7.025 7.662 -0.637 19151 1936 1 3 . 1 1 80 80 GLY N N 80 108.861 108.861 106.916 1.945 19151 1937 1 3 . 1 1 80 80 GLY C C 80 173.623 173.623 173.663 -0.040 19151 1938 1 3 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.460 -0.231 19151 1939 1 3 . 1 1 80 80 GLY H H 80 7.499 7.499 8.162 -0.663 19151 1940 1 3 . 1 1 81 81 PHE N N 81 121.441 121.441 118.923 2.518 19151 1941 1 3 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.649 0.411 19151 1942 1 3 . 1 1 81 81 PHE C C 81 174.411 174.411 172.520 1.891 19151 1943 1 3 . 1 1 81 81 PHE CA C 81 57.211 57.211 56.924 0.287 19151 1944 1 3 . 1 1 81 81 PHE CB C 81 40.620 40.620 42.069 -1.449 19151 1945 1 3 . 1 1 81 81 PHE H H 81 8.018 8.018 7.385 0.633 19151 1946 1 3 . 1 1 82 82 GLN N N 82 126.480 126.480 121.289 5.191 19151 1947 1 3 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.563 0.327 19151 1948 1 3 . 1 1 82 82 GLN C C 82 172.700 172.700 173.348 -0.648 19151 1949 1 3 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.267 1.910 19151 1950 1 3 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.674 1.926 19151 1951 1 3 . 1 1 82 82 GLN H H 82 9.588 9.588 7.214 2.374 19151 1952 1 3 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.392 -0.019 19151 1953 1 3 . 1 1 83 83 PRO C C 83 178.163 178.163 176.674 1.489 19151 1954 1 3 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.005 -0.314 19151 1955 1 3 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.812 -0.947 19151 1956 1 3 . 1 1 84 84 ASN N N 84 116.900 116.900 114.221 2.679 19151 1957 1 3 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.899 -0.130 19151 1958 1 3 . 1 1 84 84 ASN C C 84 173.332 173.332 173.815 -0.483 19151 1959 1 3 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.691 -0.131 19151 1960 1 3 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.570 -1.310 19151 1961 1 3 . 1 1 84 84 ASN H H 84 8.578 8.578 8.179 0.399 19151 1962 1 3 . 1 1 85 85 LEU N N 85 124.380 124.380 123.004 1.376 19151 1963 1 3 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.402 -0.356 19151 1964 1 3 . 1 1 85 85 LEU C C 85 175.880 175.880 175.901 -0.021 19151 1965 1 3 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.830 1.012 19151 1966 1 3 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.199 -0.899 19151 1967 1 3 . 1 1 85 85 LEU H H 85 7.240 7.240 7.673 -0.433 19151 1968 1 3 . 1 1 86 86 ARG N N 86 128.715 128.715 124.753 3.962 19151 1969 1 3 . 1 1 86 86 ARG HA H 86 5.794 5.794 4.956 0.838 19151 1970 1 3 . 1 1 86 86 ARG C C 86 175.554 175.554 174.262 1.292 19151 1971 1 3 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.405 0.037 19151 1972 1 3 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.199 -1.326 19151 1973 1 3 . 1 1 86 86 ARG H H 86 7.732 7.732 8.354 -0.622 19151 1974 1 3 . 1 1 87 87 TYR N N 87 117.420 117.420 119.803 -2.383 19151 1975 1 3 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.576 1.189 19151 1976 1 3 . 1 1 87 87 TYR C C 87 172.931 172.931 173.222 -0.291 19151 1977 1 3 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.327 -1.066 19151 1978 1 3 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.958 2.980 19151 1979 1 3 . 1 1 87 87 TYR H H 87 8.783 8.783 8.116 0.667 19151 1980 1 3 . 1 1 88 88 GLY N N 88 107.765 107.765 105.654 2.111 19151 1981 1 3 . 1 1 88 88 GLY C C 88 172.621 172.621 171.255 1.366 19151 1982 1 3 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.701 1.160 19151 1983 1 3 . 1 1 88 88 GLY H H 88 8.905 8.905 8.515 0.390 19151 1984 1 3 . 1 1 89 89 VAL N N 89 118.180 118.180 118.352 -0.172 19151 1985 1 3 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.579 0.422 19151 1986 1 3 . 1 1 89 89 VAL C C 89 172.939 172.939 173.771 -0.832 19151 1987 1 3 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.798 0.201 19151 1988 1 3 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.266 1.132 19151 1989 1 3 . 1 1 89 89 VAL H H 89 7.499 7.499 7.926 -0.427 19151 1990 1 3 . 1 1 90 90 ILE N N 90 125.000 125.000 126.353 -1.353 19151 1991 1 3 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.073 0.054 19151 1992 1 3 . 1 1 90 90 ILE C C 90 173.099 173.099 173.600 -0.501 19151 1993 1 3 . 1 1 90 90 ILE CA C 90 60.488 60.488 60.114 0.374 19151 1994 1 3 . 1 1 90 90 ILE CB C 90 40.398 40.398 39.930 0.468 19151 1995 1 3 . 1 1 90 90 ILE H H 90 8.810 8.810 9.028 -0.218 19151 1996 1 3 . 1 1 91 91 ALA N N 91 129.036 129.036 129.824 -0.788 19151 1997 1 3 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.106 0.220 19151 1998 1 3 . 1 1 91 91 ALA C C 91 174.000 174.000 175.600 -1.600 19151 1999 1 3 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.840 -0.840 19151 2000 1 3 . 1 1 91 91 ALA CB C 91 22.100 22.100 20.902 1.198 19151 2001 1 3 . 1 1 91 91 ALA H H 91 9.253 9.253 8.837 0.416 19151 2002 1 3 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.146 -0.215 19151 2003 1 3 . 1 1 92 92 LEU C C 92 177.366 177.366 176.365 1.001 19151 2004 1 3 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.200 0.716 19151 2005 1 3 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.409 -3.009 19151 2006 1 3 . 1 1 93 93 GLY N N 93 110.663 110.663 107.749 2.914 19151 2007 1 3 . 1 1 93 93 GLY C C 93 172.029 172.029 172.028 0.001 19151 2008 1 3 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.891 -0.161 19151 2009 1 3 . 1 1 93 93 GLY H H 93 8.687 8.687 8.981 -0.294 19151 2010 1 3 . 1 1 94 94 ASP N N 94 119.304 119.304 120.566 -1.262 19151 2011 1 3 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.044 0.216 19151 2012 1 3 . 1 1 94 94 ASP C C 94 176.978 176.978 177.610 -0.632 19151 2013 1 3 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.173 1.434 19151 2014 1 3 . 1 1 94 94 ASP CB C 94 43.000 43.000 41.660 1.340 19151 2015 1 3 . 1 1 94 94 ASP H H 94 8.129 8.129 8.698 -0.569 19151 2016 1 3 . 1 1 95 95 SER N N 95 123.897 123.897 122.836 1.061 19151 2017 1 3 . 1 1 95 95 SER HA H 95 3.895 3.895 4.321 -0.426 19151 2018 1 3 . 1 1 95 95 SER C C 95 175.243 175.243 175.427 -0.184 19151 2019 1 3 . 1 1 95 95 SER CA C 95 60.183 60.183 59.880 0.303 19151 2020 1 3 . 1 1 95 95 SER CB C 95 61.700 61.700 62.590 -0.890 19151 2021 1 3 . 1 1 95 95 SER H H 95 8.878 8.878 8.848 0.030 19151 2022 1 3 . 1 1 96 96 SER N N 96 119.248 119.248 116.464 2.784 19151 2023 1 3 . 1 1 96 96 SER HA H 96 4.209 4.209 4.249 -0.040 19151 2024 1 3 . 1 1 96 96 SER C C 96 173.900 173.900 175.294 -1.394 19151 2025 1 3 . 1 1 96 96 SER CA C 96 60.197 60.197 59.574 0.623 19151 2026 1 3 . 1 1 96 96 SER CB C 96 63.000 63.000 63.420 -0.420 19151 2027 1 3 . 1 1 96 96 SER H H 96 9.124 9.124 8.169 0.955 19151 2028 1 3 . 1 1 97 97 TYR N N 97 120.889 120.889 120.750 0.139 19151 2029 1 3 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.428 0.461 19151 2030 1 3 . 1 1 97 97 TYR C C 97 175.972 175.972 176.113 -0.141 19151 2031 1 3 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.859 -3.110 19151 2032 1 3 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.078 0.742 19151 2033 1 3 . 1 1 97 97 TYR H H 97 7.664 7.664 7.736 -0.072 19151 2034 1 3 . 1 1 98 98 VAL N N 98 116.952 116.952 119.709 -2.757 19151 2035 1 3 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.924 0.136 19151 2036 1 3 . 1 1 98 98 VAL C C 98 175.969 175.969 176.187 -0.218 19151 2037 1 3 . 1 1 98 98 VAL CA C 98 62.840 62.840 62.596 0.244 19151 2038 1 3 . 1 1 98 98 VAL CB C 98 32.600 32.600 32.663 -0.064 19151 2039 1 3 . 1 1 98 98 VAL H H 98 7.970 7.970 8.249 -0.279 19151 2040 1 3 . 1 1 99 99 ASN N N 99 118.156 118.156 116.814 1.342 19151 2041 1 3 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.395 0.116 19151 2042 1 3 . 1 1 99 99 ASN C C 99 174.329 174.329 176.138 -1.809 19151 2043 1 3 . 1 1 99 99 ASN CA C 99 53.031 53.031 54.331 -1.300 19151 2044 1 3 . 1 1 99 99 ASN CB C 99 37.238 37.238 36.484 0.754 19151 2045 1 3 . 1 1 99 99 ASN H H 99 8.296 8.296 8.719 -0.423 19151 2046 1 3 . 1 1 100 100 PHE N N 100 118.649 118.649 119.181 -0.532 19151 2047 1 3 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.006 0.409 19151 2048 1 3 . 1 1 100 100 PHE C C 100 174.400 174.400 175.379 -0.979 19151 2049 1 3 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.235 -3.045 19151 2050 1 3 . 1 1 100 100 PHE CB C 100 39.679 39.679 38.098 1.581 19151 2051 1 3 . 1 1 100 100 PHE H H 100 7.855 7.855 8.405 -0.550 19151 2052 1 3 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.172 -0.587 19151 2053 1 3 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.910 4.830 19151 2054 1 3 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.037 -1.037 19151 2055 1 3 . 1 1 101 101 CYS H H 101 9.240 9.240 7.929 1.311 19151 2056 1 3 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.404 -0.184 19151 2057 1 3 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.090 1.110 19151 2058 1 3 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.422 0.178 19151 2059 1 3 . 1 1 102 102 ASN H H 102 8.300 8.300 8.362 -0.062 19151 2060 1 3 . 1 1 103 103 GLY C C 103 175.690 175.690 176.031 -0.341 19151 2061 1 3 . 1 1 103 103 GLY CA C 103 47.350 47.350 46.809 0.541 19151 2062 1 3 . 1 1 104 104 GLY N N 104 106.150 106.150 109.017 -2.867 19151 2063 1 3 . 1 1 104 104 GLY C C 104 174.570 174.570 176.063 -1.493 19151 2064 1 3 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.084 1.266 19151 2065 1 3 . 1 1 104 104 GLY H H 104 7.108 7.108 7.613 -0.505 19151 2066 1 3 . 1 1 105 105 LYS N N 105 120.732 120.732 122.134 -1.402 19151 2067 1 3 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.934 0.003 19151 2068 1 3 . 1 1 105 105 LYS C C 105 179.706 179.706 178.962 0.744 19151 2069 1 3 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.895 0.413 19151 2070 1 3 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.188 -0.391 19151 2071 1 3 . 1 1 105 105 LYS H H 105 7.708 7.708 7.412 0.296 19151 2072 1 3 . 1 1 106 106 GLN N N 106 119.087 119.087 118.432 0.655 19151 2073 1 3 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.106 0.036 19151 2074 1 3 . 1 1 106 106 GLN C C 106 179.418 179.418 178.652 0.766 19151 2075 1 3 . 1 1 106 106 GLN CA C 106 58.875 58.875 59.384 -0.509 19151 2076 1 3 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.714 0.045 19151 2077 1 3 . 1 1 106 106 GLN H H 106 8.738 8.738 8.613 0.125 19151 2078 1 3 . 1 1 107 107 PHE N N 107 123.088 123.088 118.504 4.584 19151 2079 1 3 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.344 -0.094 19151 2080 1 3 . 1 1 107 107 PHE C C 107 178.403 178.403 177.925 0.478 19151 2081 1 3 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.683 0.502 19151 2082 1 3 . 1 1 107 107 PHE CB C 107 39.451 39.451 39.021 0.430 19151 2083 1 3 . 1 1 107 107 PHE H H 107 7.922 7.922 7.640 0.282 19151 2084 1 3 . 1 1 108 108 ASP N N 108 117.118 117.118 120.530 -3.412 19151 2085 1 3 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.544 -0.170 19151 2086 1 3 . 1 1 108 108 ASP C C 108 176.973 176.973 178.088 -1.115 19151 2087 1 3 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.970 0.459 19151 2088 1 3 . 1 1 108 108 ASP CB C 108 44.123 44.123 40.980 3.143 19151 2089 1 3 . 1 1 108 108 ASP H H 108 8.305 8.305 8.333 -0.028 19151 2090 1 3 . 1 1 109 109 ALA N N 109 118.590 118.590 122.374 -3.784 19151 2091 1 3 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.100 -0.050 19151 2092 1 3 . 1 1 109 109 ALA C C 109 180.430 180.430 179.737 0.693 19151 2093 1 3 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.041 0.155 19151 2094 1 3 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.369 -0.262 19151 2095 1 3 . 1 1 109 109 ALA H H 109 8.332 8.332 8.202 0.130 19151 2096 1 3 . 1 1 110 110 LEU N N 110 120.402 120.402 120.285 0.117 19151 2097 1 3 . 1 1 110 110 LEU HA H 110 4.085 4.085 4.060 0.025 19151 2098 1 3 . 1 1 110 110 LEU C C 110 177.801 177.801 179.014 -1.213 19151 2099 1 3 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.496 0.144 19151 2100 1 3 . 1 1 110 110 LEU CB C 110 41.756 41.756 41.034 0.722 19151 2101 1 3 . 1 1 110 110 LEU H H 110 7.868 7.868 7.588 0.280 19151 2102 1 3 . 1 1 111 111 LEU N N 111 116.945 116.945 117.399 -0.454 19151 2103 1 3 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.789 -0.071 19151 2104 1 3 . 1 1 111 111 LEU C C 111 179.838 179.838 179.437 0.401 19151 2105 1 3 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.765 0.200 19151 2106 1 3 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.333 -2.473 19151 2107 1 3 . 1 1 111 111 LEU H H 111 7.704 7.704 7.618 0.086 19151 2108 1 3 . 1 1 112 112 GLN N N 112 118.484 118.484 116.727 1.757 19151 2109 1 3 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.121 0.020 19151 2110 1 3 . 1 1 112 112 GLN C C 112 181.218 181.218 178.079 3.139 19151 2111 1 3 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.552 1.414 19151 2112 1 3 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.181 1.079 19151 2113 1 3 . 1 1 112 112 GLN H H 112 8.441 8.441 8.035 0.406 19151 2114 1 3 . 1 1 113 113 GLU N N 113 122.905 122.905 117.580 5.325 19151 2115 1 3 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.141 0.040 19151 2116 1 3 . 1 1 113 113 GLU C C 113 178.001 178.001 177.331 0.670 19151 2117 1 3 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.957 1.028 19151 2118 1 3 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.494 -0.224 19151 2119 1 3 . 1 1 113 113 GLU H H 113 8.305 8.305 7.897 0.408 19151 2120 1 3 . 1 1 114 114 GLN N N 114 117.332 117.332 118.642 -1.310 19151 2121 1 3 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.317 0.278 19151 2122 1 3 . 1 1 114 114 GLN C C 114 174.538 174.538 176.778 -2.240 19151 2123 1 3 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.212 -0.794 19151 2124 1 3 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.476 -4.646 19151 2125 1 3 . 1 1 114 114 GLN H H 114 7.520 7.520 7.502 0.018 19151 2126 1 3 . 1 1 115 115 SER N N 115 109.100 109.100 110.093 -0.993 19151 2127 1 3 . 1 1 115 115 SER HA H 115 4.200 4.200 4.456 -0.256 19151 2128 1 3 . 1 1 115 115 SER C C 115 172.302 172.302 173.107 -0.805 19151 2129 1 3 . 1 1 115 115 SER CA C 115 60.400 60.400 58.516 1.885 19151 2130 1 3 . 1 1 115 115 SER CB C 115 61.325 61.325 65.051 -3.726 19151 2131 1 3 . 1 1 115 115 SER H H 115 7.950 7.950 8.013 -0.063 19151 2132 1 3 . 1 1 116 116 ALA N N 116 121.059 121.059 124.639 -3.580 19151 2133 1 3 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.313 0.481 19151 2134 1 3 . 1 1 116 116 ALA C C 116 176.774 176.774 176.129 0.645 19151 2135 1 3 . 1 1 116 116 ALA CA C 116 51.690 51.690 51.886 -0.196 19151 2136 1 3 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.473 0.892 19151 2137 1 3 . 1 1 116 116 ALA H H 116 7.813 7.813 7.922 -0.109 19151 2138 1 3 . 1 1 117 117 GLN N N 117 118.000 118.000 119.257 -1.257 19151 2139 1 3 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.600 0.018 19151 2140 1 3 . 1 1 117 117 GLN C C 117 173.769 173.769 174.845 -1.076 19151 2141 1 3 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.981 -0.425 19151 2142 1 3 . 1 1 117 117 GLN CB C 117 30.735 30.735 30.816 -0.081 19151 2143 1 3 . 1 1 117 117 GLN H H 117 8.591 8.591 8.314 0.277 19151 2144 1 3 . 1 1 118 118 ARG N N 118 127.947 127.947 120.251 7.696 19151 2145 1 3 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.022 -1.714 19151 2146 1 3 . 1 1 118 118 ARG C C 118 176.758 176.758 175.370 1.388 19151 2147 1 3 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.470 1.716 19151 2148 1 3 . 1 1 118 118 ARG CB C 118 30.310 30.310 33.805 -3.495 19151 2149 1 3 . 1 1 118 118 ARG H H 118 8.659 8.659 8.447 0.212 19151 2150 1 3 . 1 1 119 119 VAL N N 119 131.939 131.939 123.239 8.700 19151 2151 1 3 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.315 -0.202 19151 2152 1 3 . 1 1 119 119 VAL C C 119 176.775 176.775 176.353 0.422 19151 2153 1 3 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.430 0.744 19151 2154 1 3 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.262 -0.868 19151 2155 1 3 . 1 1 119 119 VAL H H 119 9.520 9.520 9.051 0.469 19151 2156 1 3 . 1 1 120 120 GLY N N 120 116.074 116.074 115.390 0.684 19151 2157 1 3 . 1 1 120 120 GLY C C 120 172.757 172.757 173.986 -1.229 19151 2158 1 3 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.844 -1.946 19151 2159 1 3 . 1 1 120 120 GLY H H 120 8.755 8.755 8.651 0.104 19151 2160 1 3 . 1 1 121 121 GLU N N 121 118.754 118.754 119.367 -0.613 19151 2161 1 3 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.972 -0.306 19151 2162 1 3 . 1 1 121 121 GLU C C 121 177.419 177.419 175.545 1.874 19151 2163 1 3 . 1 1 121 121 GLU CA C 121 54.491 54.491 55.249 -0.758 19151 2164 1 3 . 1 1 121 121 GLU CB C 121 31.498 31.498 32.330 -0.832 19151 2165 1 3 . 1 1 121 121 GLU H H 121 8.594 8.594 8.791 -0.197 19151 2166 1 3 . 1 1 122 122 MET N N 122 122.642 122.642 116.642 6.000 19151 2167 1 3 . 1 1 122 122 MET HA H 122 4.415 4.415 5.046 -0.631 19151 2168 1 3 . 1 1 122 122 MET C C 122 175.351 175.351 174.833 0.518 19151 2169 1 3 . 1 1 122 122 MET CA C 122 57.024 57.024 53.223 3.801 19151 2170 1 3 . 1 1 122 122 MET CB C 122 34.210 34.210 35.667 -1.457 19151 2171 1 3 . 1 1 122 122 MET H H 122 8.892 8.892 8.143 0.749 19151 2172 1 3 . 1 1 123 123 LEU N N 123 129.535 129.535 122.230 7.305 19151 2173 1 3 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.291 0.059 19151 2174 1 3 . 1 1 123 123 LEU C C 123 173.124 173.124 174.013 -0.889 19151 2175 1 3 . 1 1 123 123 LEU CA C 123 53.739 53.739 52.796 0.943 19151 2176 1 3 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.553 -1.474 19151 2177 1 3 . 1 1 123 123 LEU H H 123 7.868 7.868 7.765 0.103 19151 2178 1 3 . 1 1 124 124 LEU N N 124 127.120 127.120 125.357 1.763 19151 2179 1 3 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.737 0.318 19151 2180 1 3 . 1 1 124 124 LEU C C 124 176.379 176.379 176.065 0.314 19151 2181 1 3 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.203 0.347 19151 2182 1 3 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.893 -1.515 19151 2183 1 3 . 1 1 124 124 LEU H H 124 8.346 8.346 8.140 0.206 19151 2184 1 3 . 1 1 125 125 ILE N N 125 124.337 124.337 124.737 -0.400 19151 2185 1 3 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.337 -0.157 19151 2186 1 3 . 1 1 125 125 ILE C C 125 174.303 174.303 174.570 -0.267 19151 2187 1 3 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.322 0.778 19151 2188 1 3 . 1 1 125 125 ILE CB C 125 39.943 39.943 41.286 -1.343 19151 2189 1 3 . 1 1 125 125 ILE H H 125 8.974 8.974 8.731 0.243 19151 2190 1 3 . 1 1 126 126 ASP N N 126 127.113 127.113 127.502 -0.389 19151 2191 1 3 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.512 -0.397 19151 2192 1 3 . 1 1 126 126 ASP C C 126 176.766 176.766 176.666 0.100 19151 2193 1 3 . 1 1 126 126 ASP CA C 126 51.847 51.847 51.627 0.220 19151 2194 1 3 . 1 1 126 126 ASP CB C 126 41.100 41.100 40.081 1.020 19151 2195 1 3 . 1 1 126 126 ASP H H 126 9.397 9.397 8.844 0.553 19151 2196 1 3 . 1 1 127 127 ALA N N 127 131.178 131.178 128.706 2.472 19151 2197 1 3 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.400 -0.084 19151 2198 1 3 . 1 1 127 127 ALA C C 127 178.530 178.530 178.753 -0.223 19151 2199 1 3 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.171 -0.324 19151 2200 1 3 . 1 1 127 127 ALA CB C 127 18.792 18.792 18.748 0.044 19151 2201 1 3 . 1 1 127 127 ALA H H 127 9.696 9.696 8.915 0.781 19151 2202 1 3 . 1 1 128 128 SER N N 128 112.064 112.064 112.413 -0.349 19151 2203 1 3 . 1 1 128 128 SER HA H 128 4.224 4.224 4.213 0.011 19151 2204 1 3 . 1 1 128 128 SER C C 128 175.000 175.000 175.779 -0.779 19151 2205 1 3 . 1 1 128 128 SER CA C 128 61.246 61.246 60.782 0.463 19151 2206 1 3 . 1 1 128 128 SER CB C 128 63.310 63.310 63.419 -0.109 19151 2207 1 3 . 1 1 128 128 SER H H 128 8.373 8.373 8.209 0.164 19151 2208 1 3 . 1 1 129 129 GLU N N 129 119.468 119.468 118.277 1.191 19151 2209 1 3 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.438 -0.038 19151 2210 1 3 . 1 1 129 129 GLU C C 129 175.947 175.947 175.896 0.051 19151 2211 1 3 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.858 -0.443 19151 2212 1 3 . 1 1 129 129 GLU CB C 129 31.730 31.730 32.095 -0.365 19151 2213 1 3 . 1 1 129 129 GLU H H 129 7.267 7.267 7.755 -0.488 19151 2214 1 3 . 1 1 130 130 ASN N N 130 115.968 115.968 118.753 -2.785 19151 2215 1 3 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.127 0.039 19151 2216 1 3 . 1 1 130 130 ASN C C 130 172.000 172.000 173.979 -1.979 19151 2217 1 3 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.615 -0.392 19151 2218 1 3 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.886 -0.220 19151 2219 1 3 . 1 1 130 130 ASN H H 130 8.072 8.072 8.283 -0.211 19151 2220 1 3 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.490 0.060 19151 2221 1 3 . 1 1 131 131 PRO C C 131 176.400 176.400 176.102 0.298 19151 2222 1 3 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.772 -0.272 19151 2223 1 3 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.609 0.691 19151 2224 1 3 . 1 1 132 132 GLU N N 132 119.000 119.000 119.079 -0.079 19151 2225 1 3 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.791 0.229 19151 2226 1 3 . 1 1 132 132 GLU C C 132 174.200 174.200 175.192 -0.992 19151 2227 1 3 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.139 -0.139 19151 2228 1 3 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.325 0.375 19151 2229 1 3 . 1 1 132 132 GLU H H 132 7.690 7.690 8.077 -0.387 19151 2230 1 3 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.218 -0.218 19151 2231 1 3 . 1 1 133 133 PRO C C 133 177.391 177.391 178.177 -0.786 19151 2232 1 3 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.055 0.414 19151 2233 1 3 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.929 0.216 19151 2234 1 3 . 1 1 134 134 GLU N N 134 122.846 122.846 118.215 4.631 19151 2235 1 3 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.227 0.993 19151 2236 1 3 . 1 1 134 134 GLU C C 134 178.385 178.385 178.909 -0.524 19151 2237 1 3 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.146 -1.554 19151 2238 1 3 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.737 -2.147 19151 2239 1 3 . 1 1 134 134 GLU H H 134 10.707 10.707 8.893 1.814 19151 2240 1 3 . 1 1 135 135 THR N N 135 113.016 113.016 111.374 1.642 19151 2241 1 3 . 1 1 135 135 THR HA H 135 4.182 4.182 4.149 0.033 19151 2242 1 3 . 1 1 135 135 THR C C 135 176.460 176.460 175.777 0.683 19151 2243 1 3 . 1 1 135 135 THR CA C 135 64.752 64.752 64.972 -0.221 19151 2244 1 3 . 1 1 135 135 THR CB C 135 69.248 69.248 68.861 0.388 19151 2245 1 3 . 1 1 135 135 THR H H 135 8.168 8.168 8.328 -0.160 19151 2246 1 3 . 1 1 136 136 GLU N N 136 118.978 118.978 121.731 -2.753 19151 2247 1 3 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.415 0.149 19151 2248 1 3 . 1 1 136 136 GLU C C 136 178.370 178.370 178.600 -0.230 19151 2249 1 3 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.240 -1.327 19151 2250 1 3 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.224 1.876 19151 2251 1 3 . 1 1 136 136 GLU H H 136 7.680 7.680 7.811 -0.131 19151 2252 1 3 . 1 1 137 137 SER N N 137 116.501 116.501 115.506 0.995 19151 2253 1 3 . 1 1 137 137 SER HA H 137 4.033 4.033 4.268 -0.235 19151 2254 1 3 . 1 1 137 137 SER C C 137 175.670 175.670 176.679 -1.009 19151 2255 1 3 . 1 1 137 137 SER CA C 137 62.330 62.330 61.751 0.579 19151 2256 1 3 . 1 1 137 137 SER CB C 137 61.380 61.380 63.173 -1.793 19151 2257 1 3 . 1 1 137 137 SER H H 137 8.824 8.824 8.165 0.659 19151 2258 1 3 . 1 1 138 138 ASN N N 138 123.517 123.517 121.727 1.790 19151 2259 1 3 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.696 -0.105 19151 2260 1 3 . 1 1 138 138 ASN C C 138 175.700 175.700 175.085 0.615 19151 2261 1 3 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.129 0.357 19151 2262 1 3 . 1 1 138 138 ASN CB C 138 34.253 34.253 36.744 -2.491 19151 2263 1 3 . 1 1 138 138 ASN H H 138 8.564 8.564 8.506 0.058 19151 2264 1 3 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.399 0.056 19151 2265 1 3 . 1 1 139 139 PRO C C 139 180.033 180.033 178.834 1.199 19151 2266 1 3 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.308 0.302 19151 2267 1 3 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.265 -0.729 19151 2268 1 3 . 1 1 140 140 TRP N N 140 119.700 119.700 121.682 -1.982 19151 2269 1 3 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.433 -0.100 19151 2270 1 3 . 1 1 140 140 TRP C C 140 179.195 179.195 177.848 1.347 19151 2271 1 3 . 1 1 140 140 TRP CA C 140 62.180 62.180 62.365 -0.185 19151 2272 1 3 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.667 1.084 19151 2273 1 3 . 1 1 140 140 TRP H H 140 7.057 7.057 7.653 -0.596 19151 2274 1 3 . 1 1 141 141 VAL N N 141 122.879 122.879 119.135 3.744 19151 2275 1 3 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.682 0.054 19151 2276 1 3 . 1 1 141 141 VAL C C 141 177.416 177.416 178.456 -1.040 19151 2277 1 3 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.191 -0.475 19151 2278 1 3 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.716 -0.284 19151 2279 1 3 . 1 1 141 141 VAL H H 141 9.629 9.629 8.825 0.804 19151 2280 1 3 . 1 1 142 142 GLU N N 142 119.965 119.965 120.169 -0.204 19151 2281 1 3 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.926 -0.194 19151 2282 1 3 . 1 1 142 142 GLU C C 142 178.800 178.800 178.246 0.554 19151 2283 1 3 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.895 -0.563 19151 2284 1 3 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.785 -0.225 19151 2285 1 3 . 1 1 142 142 GLU H H 142 8.551 8.551 8.291 0.260 19151 2286 1 3 . 1 1 143 143 HIS N N 143 115.364 115.364 119.628 -4.264 19151 2287 1 3 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.198 0.092 19151 2288 1 3 . 1 1 143 143 HIS C C 143 177.840 177.840 176.805 1.035 19151 2289 1 3 . 1 1 143 143 HIS CA C 143 59.363 59.363 59.644 -0.281 19151 2290 1 3 . 1 1 143 143 HIS CB C 143 29.362 29.362 29.815 -0.453 19151 2291 1 3 . 1 1 143 143 HIS H H 143 7.380 7.380 7.923 -0.543 19151 2292 1 3 . 1 1 144 144 TRP N N 144 126.680 126.680 121.160 5.520 19151 2293 1 3 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.865 -0.531 19151 2294 1 3 . 1 1 144 144 TRP C C 144 178.200 178.200 178.503 -0.303 19151 2295 1 3 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.833 2.127 19151 2296 1 3 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.535 -0.010 19151 2297 1 3 . 1 1 144 144 TRP H H 144 9.215 9.215 8.545 0.670 19151 2298 1 3 . 1 1 145 145 GLY N N 145 100.130 100.130 105.428 -5.298 19151 2299 1 3 . 1 1 145 145 GLY C C 145 177.391 177.391 175.344 2.047 19151 2300 1 3 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.325 -0.565 19151 2301 1 3 . 1 1 145 145 GLY H H 145 8.834 8.834 8.544 0.290 19151 2302 1 3 . 1 1 146 146 THR N N 146 110.831 110.831 113.958 -3.127 19151 2303 1 3 . 1 1 146 146 THR HA H 146 4.319 4.319 4.019 0.300 19151 2304 1 3 . 1 1 146 146 THR C C 146 175.574 175.574 175.626 -0.052 19151 2305 1 3 . 1 1 146 146 THR CA C 146 63.260 63.260 63.998 -0.738 19151 2306 1 3 . 1 1 146 146 THR CB C 146 69.660 69.660 68.355 1.305 19151 2307 1 3 . 1 1 146 146 THR H H 146 7.594 7.594 7.411 0.183 19151 2308 1 3 . 1 1 147 147 LEU N N 147 120.678 120.678 119.612 1.066 19151 2309 1 3 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.067 -0.009 19151 2310 1 3 . 1 1 147 147 LEU C C 147 177.176 177.176 176.398 0.778 19151 2311 1 3 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.462 -1.148 19151 2312 1 3 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.309 -0.081 19151 2313 1 3 . 1 1 147 147 LEU H H 147 7.458 7.458 7.358 0.100 19151 2314 1 3 . 1 1 148 148 LEU N N 148 117.062 117.062 118.488 -1.426 19151 2315 1 3 . 1 1 148 148 LEU HA H 148 3.718 3.718 4.028 -0.310 19151 2316 1 3 . 1 1 148 148 LEU C C 148 175.570 175.570 176.637 -1.067 19151 2317 1 3 . 1 1 148 148 LEU CA C 148 53.951 53.951 53.845 0.106 19151 2318 1 3 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.232 -1.632 19151 2319 1 3 . 1 1 148 148 LEU H H 148 6.482 6.482 6.863 -0.381 19151 2320 1 4 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.831 -0.602 19151 2321 1 4 . 1 1 2 2 ALA C C 2 173.315 173.315 175.602 -2.287 19151 2322 1 4 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.561 0.019 19151 2323 1 4 . 1 1 2 2 ALA CB C 2 20.223 20.223 21.256 -1.033 19151 2324 1 4 . 1 1 3 3 GLU N N 3 121.874 121.874 122.473 -0.599 19151 2325 1 4 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.526 -0.252 19151 2326 1 4 . 1 1 3 3 GLU C C 3 174.545 174.545 175.114 -0.569 19151 2327 1 4 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.284 0.566 19151 2328 1 4 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.980 -1.260 19151 2329 1 4 . 1 1 3 3 GLU H H 3 8.696 8.696 8.677 0.019 19151 2330 1 4 . 1 1 4 4 ILE N N 4 120.672 120.672 125.005 -4.333 19151 2331 1 4 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.656 0.453 19151 2332 1 4 . 1 1 4 4 ILE C C 4 175.463 175.463 174.871 0.592 19151 2333 1 4 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.109 -0.276 19151 2334 1 4 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.076 3.594 19151 2335 1 4 . 1 1 4 4 ILE H H 4 8.860 8.860 9.216 -0.356 19151 2336 1 4 . 1 1 5 5 GLY N N 5 119.310 119.310 114.809 4.501 19151 2337 1 4 . 1 1 5 5 GLY C C 5 171.260 171.260 173.000 -1.740 19151 2338 1 4 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.671 0.149 19151 2339 1 4 . 1 1 5 5 GLY H H 5 8.469 8.469 8.001 0.468 19151 2340 1 4 . 1 1 6 6 ILE N N 6 126.915 126.915 126.209 0.706 19151 2341 1 4 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.097 0.093 19151 2342 1 4 . 1 1 6 6 ILE C C 6 173.901 173.901 174.491 -0.590 19151 2343 1 4 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.687 -0.687 19151 2344 1 4 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.920 -1.920 19151 2345 1 4 . 1 1 6 6 ILE H H 6 9.056 9.056 9.193 -0.137 19151 2346 1 4 . 1 1 7 7 PHE N N 7 127.354 127.354 127.622 -0.268 19151 2347 1 4 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.069 -0.557 19151 2348 1 4 . 1 1 7 7 PHE C C 7 174.230 174.230 174.351 -0.121 19151 2349 1 4 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.512 1.898 19151 2350 1 4 . 1 1 7 7 PHE CB C 7 41.728 41.728 41.176 0.552 19151 2351 1 4 . 1 1 7 7 PHE H H 7 8.960 8.960 9.589 -0.629 19151 2352 1 4 . 1 1 8 8 VAL N N 8 127.270 127.270 125.424 1.846 19151 2353 1 4 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.201 -0.141 19151 2354 1 4 . 1 1 8 8 VAL C C 8 175.450 175.450 174.644 0.806 19151 2355 1 4 . 1 1 8 8 VAL CA C 8 61.200 61.200 59.937 1.263 19151 2356 1 4 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.135 0.302 19151 2357 1 4 . 1 1 8 8 VAL H H 8 8.581 8.581 7.917 0.664 19151 2358 1 4 . 1 1 9 9 GLY N N 9 115.000 115.000 115.868 -0.868 19151 2359 1 4 . 1 1 9 9 GLY C C 9 173.150 173.150 172.100 1.050 19151 2360 1 4 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.187 0.813 19151 2361 1 4 . 1 1 9 9 GLY H H 9 9.393 9.393 9.014 0.379 19151 2362 1 4 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.591 0.104 19151 2363 1 4 . 1 1 12 12 TYR C C 12 176.560 176.560 177.937 -1.377 19151 2364 1 4 . 1 1 12 12 TYR CA C 12 57.750 57.750 57.237 0.513 19151 2365 1 4 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.317 -0.317 19151 2366 1 4 . 1 1 13 13 GLY N N 13 109.870 109.870 107.879 1.991 19151 2367 1 4 . 1 1 13 13 GLY C C 13 175.930 175.930 176.207 -0.277 19151 2368 1 4 . 1 1 13 13 GLY CA C 13 46.000 46.000 46.689 -0.689 19151 2369 1 4 . 1 1 13 13 GLY H H 13 8.500 8.500 8.314 0.186 19151 2370 1 4 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.019 0.211 19151 2371 1 4 . 1 1 17 17 LEU C C 17 179.210 179.210 178.386 0.824 19151 2372 1 4 . 1 1 17 17 LEU CA C 17 58.400 58.400 58.017 0.383 19151 2373 1 4 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.087 0.213 19151 2374 1 4 . 1 1 18 18 VAL N N 18 117.231 117.231 118.058 -0.827 19151 2375 1 4 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.690 -0.367 19151 2376 1 4 . 1 1 18 18 VAL C C 18 178.460 178.460 178.066 0.394 19151 2377 1 4 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.705 0.161 19151 2378 1 4 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.922 0.538 19151 2379 1 4 . 1 1 18 18 VAL H H 18 7.645 7.645 7.649 -0.004 19151 2380 1 4 . 1 1 19 19 ALA N N 19 121.820 121.820 122.300 -0.480 19151 2381 1 4 . 1 1 19 19 ALA HA H 19 3.816 3.816 4.000 -0.184 19151 2382 1 4 . 1 1 19 19 ALA C C 19 178.180 178.180 179.704 -1.524 19151 2383 1 4 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.363 0.213 19151 2384 1 4 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.006 1.994 19151 2385 1 4 . 1 1 19 19 ALA H H 19 8.010 8.010 7.614 0.396 19151 2386 1 4 . 1 1 20 20 GLU N N 20 118.960 118.960 118.248 0.712 19151 2387 1 4 . 1 1 20 20 GLU HA H 20 4.016 4.016 3.984 0.032 19151 2388 1 4 . 1 1 20 20 GLU C C 20 180.950 180.950 179.398 1.552 19151 2389 1 4 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.085 0.581 19151 2390 1 4 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.294 0.006 19151 2391 1 4 . 1 1 20 20 GLU H H 20 8.700 8.700 8.136 0.564 19151 2392 1 4 . 1 1 21 21 GLU N N 21 121.371 121.371 119.519 1.852 19151 2393 1 4 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.102 -0.058 19151 2394 1 4 . 1 1 21 21 GLU C C 21 179.419 179.419 178.889 0.530 19151 2395 1 4 . 1 1 21 21 GLU CA C 21 59.310 59.310 58.776 0.534 19151 2396 1 4 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.222 0.339 19151 2397 1 4 . 1 1 21 21 GLU H H 21 8.632 8.632 8.217 0.415 19151 2398 1 4 . 1 1 22 22 ALA N N 22 121.329 121.329 123.211 -1.882 19151 2399 1 4 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.011 0.047 19151 2400 1 4 . 1 1 22 22 ALA C C 22 178.823 178.823 179.437 -0.614 19151 2401 1 4 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.834 -1.157 19151 2402 1 4 . 1 1 22 22 ALA CB C 22 17.643 17.643 17.994 -0.351 19151 2403 1 4 . 1 1 22 22 ALA H H 22 8.182 8.182 8.678 -0.496 19151 2404 1 4 . 1 1 23 23 GLU N N 23 119.035 119.035 119.129 -0.094 19151 2405 1 4 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.034 -0.630 19151 2406 1 4 . 1 1 23 23 GLU C C 23 178.375 178.375 178.588 -0.213 19151 2407 1 4 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.698 0.610 19151 2408 1 4 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.568 -0.638 19151 2409 1 4 . 1 1 23 23 GLU H H 23 8.387 8.387 8.346 0.041 19151 2410 1 4 . 1 1 24 24 ALA N N 24 122.207 122.207 122.200 0.007 19151 2411 1 4 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.115 -0.085 19151 2412 1 4 . 1 1 24 24 ALA C C 24 181.132 181.132 179.967 1.165 19151 2413 1 4 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.049 0.438 19151 2414 1 4 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.647 -0.647 19151 2415 1 4 . 1 1 24 24 ALA H H 24 7.535 7.535 7.746 -0.211 19151 2416 1 4 . 1 1 25 25 ILE N N 25 121.059 121.059 120.196 0.863 19151 2417 1 4 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.724 -0.060 19151 2418 1 4 . 1 1 25 25 ILE C C 25 178.419 178.419 177.940 0.479 19151 2419 1 4 . 1 1 25 25 ILE CA C 25 65.108 65.108 65.915 -0.807 19151 2420 1 4 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.087 0.877 19151 2421 1 4 . 1 1 25 25 ILE H H 25 7.800 7.800 8.656 -0.856 19151 2422 1 4 . 1 1 26 26 LEU N N 26 119.307 119.307 120.536 -1.229 19151 2423 1 4 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.172 0.004 19151 2424 1 4 . 1 1 26 26 LEU C C 26 179.863 179.863 179.711 0.152 19151 2425 1 4 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.322 -0.376 19151 2426 1 4 . 1 1 26 26 LEU CB C 26 41.140 41.140 40.841 0.299 19151 2427 1 4 . 1 1 26 26 LEU H H 26 8.509 8.509 8.557 -0.048 19151 2428 1 4 . 1 1 27 27 THR N N 27 117.830 117.830 115.797 2.033 19151 2429 1 4 . 1 1 27 27 THR HA H 27 4.524 4.524 4.318 0.206 19151 2430 1 4 . 1 1 27 27 THR C C 27 179.027 179.027 176.146 2.881 19151 2431 1 4 . 1 1 27 27 THR CA C 27 66.000 66.000 66.439 -0.439 19151 2432 1 4 . 1 1 27 27 THR CB C 27 68.600 68.600 68.530 0.070 19151 2433 1 4 . 1 1 27 27 THR H H 27 8.796 8.796 8.305 0.491 19151 2434 1 4 . 1 1 28 28 ALA N N 28 126.313 126.313 122.032 4.281 19151 2435 1 4 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.150 0.055 19151 2436 1 4 . 1 1 28 28 ALA C C 28 179.360 179.360 179.513 -0.153 19151 2437 1 4 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.169 0.831 19151 2438 1 4 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.216 -0.566 19151 2439 1 4 . 1 1 28 28 ALA H H 28 7.832 7.832 7.726 0.106 19151 2440 1 4 . 1 1 29 29 GLN N N 29 115.527 115.527 116.309 -0.782 19151 2441 1 4 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.104 0.023 19151 2442 1 4 . 1 1 29 29 GLN C C 29 176.547 176.547 176.950 -0.403 19151 2443 1 4 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.280 -0.717 19151 2444 1 4 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.724 -0.314 19151 2445 1 4 . 1 1 29 29 GLN H H 29 7.353 7.353 8.295 -0.942 19151 2446 1 4 . 1 1 30 30 GLY N N 30 105.961 105.961 105.389 0.572 19151 2447 1 4 . 1 1 30 30 GLY C C 30 174.785 174.785 173.736 1.049 19151 2448 1 4 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.486 0.014 19151 2449 1 4 . 1 1 30 30 GLY H H 30 7.923 7.923 7.547 0.376 19151 2450 1 4 . 1 1 31 31 HIS N N 31 119.471 119.471 117.999 1.472 19151 2451 1 4 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.911 -0.076 19151 2452 1 4 . 1 1 31 31 HIS C C 31 174.665 174.665 173.812 0.853 19151 2453 1 4 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.281 1.561 19151 2454 1 4 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.667 0.333 19151 2455 1 4 . 1 1 31 31 HIS H H 31 7.558 7.558 7.794 -0.236 19151 2456 1 4 . 1 1 32 32 LYS N N 32 121.854 121.854 121.526 0.328 19151 2457 1 4 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.580 0.143 19151 2458 1 4 . 1 1 32 32 LYS C C 32 174.466 174.466 174.508 -0.042 19151 2459 1 4 . 1 1 32 32 LYS CA C 32 54.865 54.865 55.118 -0.253 19151 2460 1 4 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.415 0.545 19151 2461 1 4 . 1 1 32 32 LYS H H 32 8.665 8.665 8.566 0.099 19151 2462 1 4 . 1 1 33 33 ALA N N 33 130.188 130.188 129.892 0.296 19151 2463 1 4 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.687 0.131 19151 2464 1 4 . 1 1 33 33 ALA C C 33 175.567 175.567 176.508 -0.941 19151 2465 1 4 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.601 -0.625 19151 2466 1 4 . 1 1 33 33 ALA CB C 33 22.297 22.297 22.021 0.276 19151 2467 1 4 . 1 1 33 33 ALA H H 33 8.837 8.837 7.933 0.904 19151 2468 1 4 . 1 1 34 34 THR N N 34 117.164 117.164 116.071 1.093 19151 2469 1 4 . 1 1 34 34 THR HA H 34 4.359 4.359 4.581 -0.222 19151 2470 1 4 . 1 1 34 34 THR C C 34 171.315 171.315 172.771 -1.456 19151 2471 1 4 . 1 1 34 34 THR CA C 34 61.840 61.840 61.243 0.597 19151 2472 1 4 . 1 1 34 34 THR CB C 34 71.800 71.800 72.282 -0.482 19151 2473 1 4 . 1 1 34 34 THR H H 34 7.826 7.826 8.797 -0.971 19151 2474 1 4 . 1 1 35 35 VAL N N 35 126.650 126.650 123.055 3.595 19151 2475 1 4 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.450 -0.267 19151 2476 1 4 . 1 1 35 35 VAL C C 35 174.675 174.675 175.233 -0.558 19151 2477 1 4 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.667 0.261 19151 2478 1 4 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.239 0.411 19151 2479 1 4 . 1 1 35 35 VAL H H 35 8.496 8.496 8.414 0.082 19151 2480 1 4 . 1 1 36 36 PHE N N 36 127.630 127.630 126.431 1.199 19151 2481 1 4 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.681 -0.130 19151 2482 1 4 . 1 1 36 36 PHE C C 36 174.347 174.347 174.319 0.028 19151 2483 1 4 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.580 0.902 19151 2484 1 4 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.888 -0.723 19151 2485 1 4 . 1 1 36 36 PHE H H 36 9.164 9.164 9.188 -0.024 19151 2486 1 4 . 1 1 37 37 GLU N N 37 123.516 123.516 123.791 -0.275 19151 2487 1 4 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.483 -0.013 19151 2488 1 4 . 1 1 37 37 GLU C C 37 175.954 175.954 175.951 0.003 19151 2489 1 4 . 1 1 37 37 GLU CA C 37 55.719 55.719 55.843 -0.124 19151 2490 1 4 . 1 1 37 37 GLU CB C 37 31.460 31.460 31.279 0.181 19151 2491 1 4 . 1 1 37 37 GLU H H 37 8.455 8.455 8.666 -0.211 19151 2492 1 4 . 1 1 38 38 ASP N N 38 120.395 120.395 122.564 -2.169 19151 2493 1 4 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.403 0.430 19151 2494 1 4 . 1 1 38 38 ASP C C 38 173.920 173.920 174.629 -0.709 19151 2495 1 4 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.312 0.165 19151 2496 1 4 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.598 0.006 19151 2497 1 4 . 1 1 38 38 ASP H H 38 9.602 9.602 8.757 0.845 19151 2498 1 4 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.622 0.058 19151 2499 1 4 . 1 1 39 39 PRO C C 39 176.274 176.274 176.207 0.067 19151 2500 1 4 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.474 -0.490 19151 2501 1 4 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.216 1.184 19151 2502 1 4 . 1 1 40 40 GLU N N 40 119.026 119.026 121.291 -2.265 19151 2503 1 4 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.589 0.139 19151 2504 1 4 . 1 1 40 40 GLU C C 40 177.827 177.827 178.423 -0.596 19151 2505 1 4 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.418 -0.448 19151 2506 1 4 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.169 2.231 19151 2507 1 4 . 1 1 40 40 GLU H H 40 9.178 9.178 8.775 0.403 19151 2508 1 4 . 1 1 41 41 LEU N N 41 123.708 123.708 123.545 0.163 19151 2509 1 4 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.234 -0.340 19151 2510 1 4 . 1 1 41 41 LEU C C 41 178.730 178.730 177.964 0.766 19151 2511 1 4 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.499 0.908 19151 2512 1 4 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.823 -0.170 19151 2513 1 4 . 1 1 41 41 LEU H H 41 9.160 9.160 8.799 0.361 19151 2514 1 4 . 1 1 42 42 SER N N 42 110.500 110.500 113.847 -3.347 19151 2515 1 4 . 1 1 42 42 SER HA H 42 4.010 4.010 4.240 -0.230 19151 2516 1 4 . 1 1 42 42 SER C C 42 176.300 176.300 175.187 1.113 19151 2517 1 4 . 1 1 42 42 SER CA C 42 61.600 61.600 60.798 0.802 19151 2518 1 4 . 1 1 42 42 SER CB C 42 62.140 62.140 62.883 -0.743 19151 2519 1 4 . 1 1 42 42 SER H H 42 8.415 8.415 8.519 -0.104 19151 2520 1 4 . 1 1 43 43 ASP N N 43 119.770 119.770 120.639 -0.869 19151 2521 1 4 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.636 -0.179 19151 2522 1 4 . 1 1 43 43 ASP C C 43 176.150 176.150 176.261 -0.111 19151 2523 1 4 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.788 0.962 19151 2524 1 4 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.913 1.787 19151 2525 1 4 . 1 1 43 43 ASP H H 43 7.690 7.690 8.079 -0.389 19151 2526 1 4 . 1 1 44 44 TRP N N 44 118.500 118.500 121.187 -2.687 19151 2527 1 4 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.654 -0.444 19151 2528 1 4 . 1 1 44 44 TRP C C 44 177.150 177.150 177.594 -0.444 19151 2529 1 4 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.485 0.902 19151 2530 1 4 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.686 -0.376 19151 2531 1 4 . 1 1 44 44 TRP H H 44 7.464 7.464 7.408 0.056 19151 2532 1 4 . 1 1 45 45 LEU N N 45 114.100 114.100 120.767 -6.667 19151 2533 1 4 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.053 0.122 19151 2534 1 4 . 1 1 45 45 LEU C C 45 176.300 176.300 175.757 0.543 19151 2535 1 4 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.163 -0.603 19151 2536 1 4 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.354 -0.134 19151 2537 1 4 . 1 1 45 45 LEU H H 45 7.550 7.550 8.306 -0.756 19151 2538 1 4 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.113 0.267 19151 2539 1 4 . 1 1 46 46 PRO C C 46 176.799 176.799 177.319 -0.520 19151 2540 1 4 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.989 0.298 19151 2541 1 4 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.066 0.534 19151 2542 1 4 . 1 1 47 47 TYR N N 47 113.790 113.790 114.448 -0.658 19151 2543 1 4 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.661 -0.541 19151 2544 1 4 . 1 1 47 47 TYR C C 47 175.730 175.730 177.400 -1.670 19151 2545 1 4 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.032 2.168 19151 2546 1 4 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.720 0.296 19151 2547 1 4 . 1 1 47 47 TYR H H 47 8.291 8.291 8.094 0.197 19151 2548 1 4 . 1 1 48 48 GLN N N 48 116.524 116.524 120.168 -3.644 19151 2549 1 4 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.976 -0.091 19151 2550 1 4 . 1 1 48 48 GLN C C 48 174.381 174.381 175.894 -1.513 19151 2551 1 4 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.487 0.339 19151 2552 1 4 . 1 1 48 48 GLN CB C 48 31.000 31.000 29.106 1.894 19151 2553 1 4 . 1 1 48 48 GLN H H 48 7.300 7.300 7.559 -0.259 19151 2554 1 4 . 1 1 49 49 ASP N N 49 114.657 114.657 111.430 3.227 19151 2555 1 4 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.741 -0.054 19151 2556 1 4 . 1 1 49 49 ASP C C 49 176.307 176.307 175.683 0.624 19151 2557 1 4 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.341 -1.606 19151 2558 1 4 . 1 1 49 49 ASP CB C 49 40.200 40.200 40.426 -0.226 19151 2559 1 4 . 1 1 49 49 ASP H H 49 7.854 7.854 8.322 -0.468 19151 2560 1 4 . 1 1 50 50 LYS N N 50 123.514 123.514 119.640 3.874 19151 2561 1 4 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.162 0.428 19151 2562 1 4 . 1 1 50 50 LYS C C 50 172.964 172.964 174.573 -1.609 19151 2563 1 4 . 1 1 50 50 LYS CA C 50 54.693 54.693 54.926 -0.233 19151 2564 1 4 . 1 1 50 50 LYS CB C 50 33.500 33.500 35.450 -1.950 19151 2565 1 4 . 1 1 50 50 LYS H H 50 7.833 7.833 7.580 0.253 19151 2566 1 4 . 1 1 51 51 TYR N N 51 118.375 118.375 115.439 2.936 19151 2567 1 4 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.792 0.263 19151 2568 1 4 . 1 1 51 51 TYR C C 51 175.875 175.875 176.179 -0.304 19151 2569 1 4 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.476 0.945 19151 2570 1 4 . 1 1 51 51 TYR CB C 51 42.477 42.477 41.406 1.071 19151 2571 1 4 . 1 1 51 51 TYR H H 51 7.745 7.745 7.953 -0.208 19151 2572 1 4 . 1 1 52 52 VAL N N 52 112.527 112.527 114.010 -1.483 19151 2573 1 4 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.925 0.575 19151 2574 1 4 . 1 1 52 52 VAL C C 52 173.910 173.910 173.985 -0.075 19151 2575 1 4 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.441 -1.744 19151 2576 1 4 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.646 0.846 19151 2577 1 4 . 1 1 52 52 VAL H H 52 8.673 8.673 8.318 0.355 19151 2578 1 4 . 1 1 53 53 LEU N N 53 124.294 124.294 123.866 0.428 19151 2579 1 4 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.083 -0.183 19151 2580 1 4 . 1 1 53 53 LEU C C 53 175.070 175.070 174.368 0.702 19151 2581 1 4 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.735 -1.169 19151 2582 1 4 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.393 -1.163 19151 2583 1 4 . 1 1 53 53 LEU H H 53 9.137 9.137 9.139 -0.002 19151 2584 1 4 . 1 1 54 54 VAL N N 54 127.850 127.850 127.537 0.313 19151 2585 1 4 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.646 -0.136 19151 2586 1 4 . 1 1 54 54 VAL C C 54 174.030 174.030 174.265 -0.235 19151 2587 1 4 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.042 0.783 19151 2588 1 4 . 1 1 54 54 VAL CB C 54 32.691 32.691 32.864 -0.173 19151 2589 1 4 . 1 1 54 54 VAL H H 54 8.619 8.619 8.967 -0.348 19151 2590 1 4 . 1 1 55 55 VAL N N 55 127.181 127.181 129.169 -1.988 19151 2591 1 4 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.728 0.357 19151 2592 1 4 . 1 1 55 55 VAL C C 55 174.942 174.942 174.495 0.447 19151 2593 1 4 . 1 1 55 55 VAL CA C 55 60.069 60.069 61.332 -1.263 19151 2594 1 4 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.395 -0.173 19151 2595 1 4 . 1 1 55 55 VAL H H 55 8.578 8.578 8.991 -0.413 19151 2596 1 4 . 1 1 56 56 THR N N 56 117.420 117.420 123.156 -5.736 19151 2597 1 4 . 1 1 56 56 THR HA H 56 5.590 5.590 5.141 0.449 19151 2598 1 4 . 1 1 56 56 THR C C 56 172.640 172.640 173.453 -0.813 19151 2599 1 4 . 1 1 56 56 THR CA C 56 59.359 59.359 60.769 -1.410 19151 2600 1 4 . 1 1 56 56 THR CB C 56 70.715 70.715 70.152 0.563 19151 2601 1 4 . 1 1 56 56 THR H H 56 8.710 8.710 9.039 -0.329 19151 2602 1 4 . 1 1 57 57 SER HA H 57 5.250 5.250 5.036 0.214 19151 2603 1 4 . 1 1 57 57 SER CA C 57 57.730 57.730 58.093 -0.363 19151 2604 1 4 . 1 1 57 57 SER CB C 57 64.500 64.500 64.302 0.198 19151 2605 1 4 . 1 1 57 57 SER H H 57 8.075 8.075 8.962 -0.887 19151 2606 1 4 . 1 1 58 58 THR H H 58 7.900 7.900 8.426 -0.526 19151 2607 1 4 . 1 1 59 59 THR HA H 59 4.900 4.900 4.130 0.770 19151 2608 1 4 . 1 1 59 59 THR CA C 59 61.200 61.200 66.128 -4.928 19151 2609 1 4 . 1 1 59 59 THR CB C 59 73.400 73.400 69.320 4.080 19151 2610 1 4 . 1 1 59 59 THR H H 59 9.230 9.230 7.484 1.746 19151 2611 1 4 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.724 0.776 19151 2612 1 4 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.002 0.404 19151 2613 1 4 . 1 1 61 61 GLN C C 61 175.950 175.950 175.731 0.219 19151 2614 1 4 . 1 1 61 61 GLN CA C 61 55.350 55.350 56.933 -1.583 19151 2615 1 4 . 1 1 61 61 GLN CB C 61 29.160 29.160 28.885 0.275 19151 2616 1 4 . 1 1 62 62 GLY N N 62 108.420 108.420 104.717 3.703 19151 2617 1 4 . 1 1 62 62 GLY C C 62 173.134 173.134 173.238 -0.104 19151 2618 1 4 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.605 1.179 19151 2619 1 4 . 1 1 62 62 GLY H H 62 8.073 8.073 7.969 0.104 19151 2620 1 4 . 1 1 63 63 ASP N N 63 118.400 118.400 119.854 -1.454 19151 2621 1 4 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.810 -0.030 19151 2622 1 4 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.456 0.840 19151 2623 1 4 . 1 1 63 63 ASP CB C 63 42.740 42.740 43.175 -0.434 19151 2624 1 4 . 1 1 63 63 ASP H H 63 7.248 7.248 8.021 -0.773 19151 2625 1 4 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.546 -0.146 19151 2626 1 4 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.609 1.541 19151 2627 1 4 . 1 1 64 64 LEU CB C 64 41.687 41.687 44.106 -2.419 19151 2628 1 4 . 1 1 64 64 LEU H H 64 8.445 8.445 7.880 0.565 19151 2629 1 4 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.547 -0.254 19151 2630 1 4 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.129 0.215 19151 2631 1 4 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.609 -0.129 19151 2632 1 4 . 1 1 66 66 ASP N N 66 121.200 121.200 119.823 1.377 19151 2633 1 4 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.335 -0.075 19151 2634 1 4 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.525 1.105 19151 2635 1 4 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.146 0.654 19151 2636 1 4 . 1 1 66 66 ASP H H 66 8.605 8.605 8.702 -0.097 19151 2637 1 4 . 1 1 67 67 SER HA H 67 4.292 4.292 4.446 -0.154 19151 2638 1 4 . 1 1 67 67 SER C C 67 175.650 175.650 174.733 0.917 19151 2639 1 4 . 1 1 67 67 SER CA C 67 60.500 60.500 59.861 0.639 19151 2640 1 4 . 1 1 67 67 SER CB C 67 63.530 63.530 63.848 -0.318 19151 2641 1 4 . 1 1 68 68 ILE N N 68 120.550 120.550 121.186 -0.636 19151 2642 1 4 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.485 0.625 19151 2643 1 4 . 1 1 68 68 ILE C C 68 174.713 174.713 176.084 -1.371 19151 2644 1 4 . 1 1 68 68 ILE CA C 68 60.400 60.400 61.050 -0.650 19151 2645 1 4 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.398 3.842 19151 2646 1 4 . 1 1 68 68 ILE H H 68 7.870 7.870 7.714 0.156 19151 2647 1 4 . 1 1 69 69 VAL N N 69 125.740 125.740 123.755 1.985 19151 2648 1 4 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.739 0.006 19151 2649 1 4 . 1 1 69 69 VAL C C 69 174.500 174.500 174.752 -0.252 19151 2650 1 4 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.622 -1.072 19151 2651 1 4 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.135 0.995 19151 2652 1 4 . 1 1 69 69 VAL H H 69 7.428 7.428 8.196 -0.768 19151 2653 1 4 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.300 -0.008 19151 2654 1 4 . 1 1 70 70 PRO C C 70 180.820 180.820 179.042 1.778 19151 2655 1 4 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.096 0.374 19151 2656 1 4 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.242 -0.585 19151 2657 1 4 . 1 1 71 71 LEU N N 71 119.467 119.467 120.451 -0.984 19151 2658 1 4 . 1 1 71 71 LEU HA H 71 3.845 3.845 3.996 -0.151 19151 2659 1 4 . 1 1 71 71 LEU C C 71 176.489 176.489 178.072 -1.583 19151 2660 1 4 . 1 1 71 71 LEU CA C 71 58.207 58.207 58.159 0.048 19151 2661 1 4 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.768 -0.282 19151 2662 1 4 . 1 1 71 71 LEU H H 71 7.918 7.918 7.386 0.532 19151 2663 1 4 . 1 1 72 72 PHE N N 72 119.361 119.361 119.235 0.126 19151 2664 1 4 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.260 -0.115 19151 2665 1 4 . 1 1 72 72 PHE C C 72 175.968 175.968 177.125 -1.157 19151 2666 1 4 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.618 0.203 19151 2667 1 4 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.554 0.993 19151 2668 1 4 . 1 1 72 72 PHE H H 72 7.903 7.903 8.558 -0.655 19151 2669 1 4 . 1 1 73 73 GLN N N 73 116.100 116.100 117.194 -1.094 19151 2670 1 4 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.682 -0.155 19151 2671 1 4 . 1 1 73 73 GLN C C 73 177.871 177.871 178.668 -0.797 19151 2672 1 4 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.805 -0.665 19151 2673 1 4 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.083 0.064 19151 2674 1 4 . 1 1 73 73 GLN H H 73 9.042 9.042 8.746 0.296 19151 2675 1 4 . 1 1 74 74 GLY N N 74 107.110 107.110 108.159 -1.049 19151 2676 1 4 . 1 1 74 74 GLY C C 74 175.894 175.894 176.458 -0.564 19151 2677 1 4 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.758 0.522 19151 2678 1 4 . 1 1 74 74 GLY H H 74 8.045 8.045 8.127 -0.082 19151 2679 1 4 . 1 1 75 75 ILE N N 75 123.629 123.629 122.810 0.819 19151 2680 1 4 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.370 -0.320 19151 2681 1 4 . 1 1 75 75 ILE C C 75 178.622 178.622 177.048 1.574 19151 2682 1 4 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.778 0.479 19151 2683 1 4 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.404 0.564 19151 2684 1 4 . 1 1 75 75 ILE H H 75 8.174 8.174 8.098 0.076 19151 2685 1 4 . 1 1 76 76 LYS N N 76 119.363 119.363 118.479 0.884 19151 2686 1 4 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.790 -0.485 19151 2687 1 4 . 1 1 76 76 LYS C C 76 177.909 177.909 178.143 -0.234 19151 2688 1 4 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.203 0.502 19151 2689 1 4 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.980 0.370 19151 2690 1 4 . 1 1 76 76 LYS H H 76 7.600 7.600 7.447 0.153 19151 2691 1 4 . 1 1 77 77 ASP N N 77 115.190 115.190 117.765 -2.575 19151 2692 1 4 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.632 -0.150 19151 2693 1 4 . 1 1 77 77 ASP C C 77 178.825 178.825 178.017 0.808 19151 2694 1 4 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.794 0.486 19151 2695 1 4 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.892 -0.702 19151 2696 1 4 . 1 1 77 77 ASP H H 77 8.482 8.482 8.255 0.227 19151 2697 1 4 . 1 1 78 78 SER N N 78 112.576 112.576 115.984 -3.408 19151 2698 1 4 . 1 1 78 78 SER HA H 78 4.728 4.728 4.407 0.321 19151 2699 1 4 . 1 1 78 78 SER C C 78 174.556 174.556 175.005 -0.449 19151 2700 1 4 . 1 1 78 78 SER CA C 78 60.045 60.045 60.404 -0.359 19151 2701 1 4 . 1 1 78 78 SER CB C 78 64.643 64.643 64.083 0.560 19151 2702 1 4 . 1 1 78 78 SER H H 78 8.273 8.273 7.947 0.326 19151 2703 1 4 . 1 1 79 79 LEU N N 79 120.833 120.833 121.302 -0.469 19151 2704 1 4 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.384 0.431 19151 2705 1 4 . 1 1 79 79 LEU C C 79 176.251 176.251 178.808 -2.557 19151 2706 1 4 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.479 -2.519 19151 2707 1 4 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.141 -2.945 19151 2708 1 4 . 1 1 79 79 LEU H H 79 7.025 7.025 7.557 -0.532 19151 2709 1 4 . 1 1 80 80 GLY N N 80 108.861 108.861 106.881 1.980 19151 2710 1 4 . 1 1 80 80 GLY C C 80 173.623 173.623 173.630 -0.007 19151 2711 1 4 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.462 -0.233 19151 2712 1 4 . 1 1 80 80 GLY H H 80 7.499 7.499 8.094 -0.595 19151 2713 1 4 . 1 1 81 81 PHE N N 81 121.441 121.441 119.117 2.324 19151 2714 1 4 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.661 0.399 19151 2715 1 4 . 1 1 81 81 PHE C C 81 174.411 174.411 172.581 1.830 19151 2716 1 4 . 1 1 81 81 PHE CA C 81 57.211 57.211 56.841 0.370 19151 2717 1 4 . 1 1 81 81 PHE CB C 81 40.620 40.620 42.085 -1.465 19151 2718 1 4 . 1 1 81 81 PHE H H 81 8.018 8.018 7.487 0.531 19151 2719 1 4 . 1 1 82 82 GLN N N 82 126.480 126.480 121.600 4.880 19151 2720 1 4 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.589 0.301 19151 2721 1 4 . 1 1 82 82 GLN C C 82 172.700 172.700 173.425 -0.725 19151 2722 1 4 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.309 1.868 19151 2723 1 4 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.637 1.963 19151 2724 1 4 . 1 1 82 82 GLN H H 82 9.588 9.588 7.273 2.315 19151 2725 1 4 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.398 -0.025 19151 2726 1 4 . 1 1 83 83 PRO C C 83 178.163 178.163 176.707 1.456 19151 2727 1 4 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.059 -0.368 19151 2728 1 4 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.867 -1.002 19151 2729 1 4 . 1 1 84 84 ASN N N 84 116.900 116.900 114.202 2.698 19151 2730 1 4 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.894 -0.125 19151 2731 1 4 . 1 1 84 84 ASN C C 84 173.332 173.332 173.748 -0.416 19151 2732 1 4 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.695 -0.135 19151 2733 1 4 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.692 -1.432 19151 2734 1 4 . 1 1 84 84 ASN H H 84 8.578 8.578 7.989 0.589 19151 2735 1 4 . 1 1 85 85 LEU N N 85 124.380 124.380 123.047 1.333 19151 2736 1 4 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.391 -0.345 19151 2737 1 4 . 1 1 85 85 LEU C C 85 175.880 175.880 175.732 0.148 19151 2738 1 4 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.798 1.044 19151 2739 1 4 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.321 -1.020 19151 2740 1 4 . 1 1 85 85 LEU H H 85 7.240 7.240 7.669 -0.429 19151 2741 1 4 . 1 1 86 86 ARG N N 86 128.715 128.715 124.099 4.616 19151 2742 1 4 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.068 0.726 19151 2743 1 4 . 1 1 86 86 ARG C C 86 175.554 175.554 174.414 1.140 19151 2744 1 4 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.476 -0.034 19151 2745 1 4 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.431 -1.558 19151 2746 1 4 . 1 1 86 86 ARG H H 86 7.732 7.732 8.231 -0.499 19151 2747 1 4 . 1 1 87 87 TYR N N 87 117.420 117.420 119.738 -2.318 19151 2748 1 4 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.609 1.156 19151 2749 1 4 . 1 1 87 87 TYR C C 87 172.931 172.931 173.209 -0.278 19151 2750 1 4 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.387 -1.126 19151 2751 1 4 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.783 3.155 19151 2752 1 4 . 1 1 87 87 TYR H H 87 8.783 8.783 8.227 0.556 19151 2753 1 4 . 1 1 88 88 GLY N N 88 107.765 107.765 105.929 1.836 19151 2754 1 4 . 1 1 88 88 GLY C C 88 172.621 172.621 171.197 1.424 19151 2755 1 4 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.622 1.239 19151 2756 1 4 . 1 1 88 88 GLY H H 88 8.905 8.905 8.630 0.275 19151 2757 1 4 . 1 1 89 89 VAL N N 89 118.180 118.180 118.792 -0.612 19151 2758 1 4 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.616 0.385 19151 2759 1 4 . 1 1 89 89 VAL C C 89 172.939 172.939 173.675 -0.736 19151 2760 1 4 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.906 0.093 19151 2761 1 4 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.592 0.806 19151 2762 1 4 . 1 1 89 89 VAL H H 89 7.499 7.499 8.150 -0.651 19151 2763 1 4 . 1 1 90 90 ILE N N 90 125.000 125.000 125.997 -0.997 19151 2764 1 4 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.083 0.044 19151 2765 1 4 . 1 1 90 90 ILE C C 90 173.099 173.099 173.687 -0.588 19151 2766 1 4 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.740 0.748 19151 2767 1 4 . 1 1 90 90 ILE CB C 90 40.398 40.398 39.930 0.468 19151 2768 1 4 . 1 1 90 90 ILE H H 90 8.810 8.810 8.938 -0.128 19151 2769 1 4 . 1 1 91 91 ALA N N 91 129.036 129.036 129.840 -0.804 19151 2770 1 4 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.328 -0.002 19151 2771 1 4 . 1 1 91 91 ALA C C 91 174.000 174.000 175.764 -1.764 19151 2772 1 4 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.772 -0.772 19151 2773 1 4 . 1 1 91 91 ALA CB C 91 22.100 22.100 20.926 1.174 19151 2774 1 4 . 1 1 91 91 ALA H H 91 9.253 9.253 8.930 0.323 19151 2775 1 4 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.112 -0.181 19151 2776 1 4 . 1 1 92 92 LEU C C 92 177.366 177.366 176.550 0.816 19151 2777 1 4 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.205 0.712 19151 2778 1 4 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.150 -2.750 19151 2779 1 4 . 1 1 93 93 GLY N N 93 110.663 110.663 108.645 2.018 19151 2780 1 4 . 1 1 93 93 GLY C C 93 172.029 172.029 171.909 0.120 19151 2781 1 4 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.988 -0.258 19151 2782 1 4 . 1 1 93 93 GLY H H 93 8.687 8.687 8.874 -0.187 19151 2783 1 4 . 1 1 94 94 ASP N N 94 119.304 119.304 121.324 -2.020 19151 2784 1 4 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.423 -0.163 19151 2785 1 4 . 1 1 94 94 ASP C C 94 176.978 176.978 176.996 -0.018 19151 2786 1 4 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.003 1.604 19151 2787 1 4 . 1 1 94 94 ASP CB C 94 43.000 43.000 42.161 0.839 19151 2788 1 4 . 1 1 94 94 ASP H H 94 8.129 8.129 8.600 -0.471 19151 2789 1 4 . 1 1 95 95 SER N N 95 123.897 123.897 122.919 0.978 19151 2790 1 4 . 1 1 95 95 SER HA H 95 3.895 3.895 4.287 -0.392 19151 2791 1 4 . 1 1 95 95 SER C C 95 175.243 175.243 175.178 0.065 19151 2792 1 4 . 1 1 95 95 SER CA C 95 60.183 60.183 59.322 0.861 19151 2793 1 4 . 1 1 95 95 SER CB C 95 61.700 61.700 62.652 -0.952 19151 2794 1 4 . 1 1 95 95 SER H H 95 8.878 8.878 9.400 -0.522 19151 2795 1 4 . 1 1 96 96 SER N N 96 119.248 119.248 116.370 2.878 19151 2796 1 4 . 1 1 96 96 SER HA H 96 4.209 4.209 4.196 0.013 19151 2797 1 4 . 1 1 96 96 SER C C 96 173.900 173.900 175.397 -1.497 19151 2798 1 4 . 1 1 96 96 SER CA C 96 60.197 60.197 59.795 0.402 19151 2799 1 4 . 1 1 96 96 SER CB C 96 63.000 63.000 63.273 -0.273 19151 2800 1 4 . 1 1 96 96 SER H H 96 9.124 9.124 8.159 0.965 19151 2801 1 4 . 1 1 97 97 TYR N N 97 120.889 120.889 120.502 0.387 19151 2802 1 4 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.468 0.420 19151 2803 1 4 . 1 1 97 97 TYR C C 97 175.972 175.972 177.248 -1.276 19151 2804 1 4 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.455 -2.704 19151 2805 1 4 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.117 0.703 19151 2806 1 4 . 1 1 97 97 TYR H H 97 7.664 7.664 7.712 -0.048 19151 2807 1 4 . 1 1 98 98 VAL N N 98 116.952 116.952 120.323 -3.371 19151 2808 1 4 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.842 0.218 19151 2809 1 4 . 1 1 98 98 VAL C C 98 175.969 175.969 176.945 -0.976 19151 2810 1 4 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.142 -2.303 19151 2811 1 4 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.780 0.820 19151 2812 1 4 . 1 1 98 98 VAL H H 98 7.970 7.970 8.479 -0.509 19151 2813 1 4 . 1 1 99 99 ASN N N 99 118.156 118.156 119.265 -1.109 19151 2814 1 4 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.868 -0.357 19151 2815 1 4 . 1 1 99 99 ASN C C 99 174.329 174.329 173.989 0.340 19151 2816 1 4 . 1 1 99 99 ASN CA C 99 53.031 53.031 52.449 0.582 19151 2817 1 4 . 1 1 99 99 ASN CB C 99 37.238 37.238 37.137 0.101 19151 2818 1 4 . 1 1 99 99 ASN H H 99 8.296 8.296 8.424 -0.128 19151 2819 1 4 . 1 1 100 100 PHE N N 100 118.649 118.649 122.630 -3.981 19151 2820 1 4 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.343 0.072 19151 2821 1 4 . 1 1 100 100 PHE C C 100 174.400 174.400 176.018 -1.618 19151 2822 1 4 . 1 1 100 100 PHE CA C 100 58.190 58.190 60.264 -2.074 19151 2823 1 4 . 1 1 100 100 PHE CB C 100 39.679 39.679 39.573 0.106 19151 2824 1 4 . 1 1 100 100 PHE H H 100 7.855 7.855 7.730 0.125 19151 2825 1 4 . 1 1 101 101 CYS HA H 101 3.585 3.585 3.677 -0.092 19151 2826 1 4 . 1 1 101 101 CYS CA C 101 62.740 62.740 60.080 2.660 19151 2827 1 4 . 1 1 101 101 CYS CB C 101 26.000 26.000 25.575 0.425 19151 2828 1 4 . 1 1 101 101 CYS H H 101 9.240 9.240 8.617 0.623 19151 2829 1 4 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.430 -0.210 19151 2830 1 4 . 1 1 102 102 ASN CA C 102 57.200 57.200 55.537 1.663 19151 2831 1 4 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.620 -0.020 19151 2832 1 4 . 1 1 102 102 ASN H H 102 8.300 8.300 7.781 0.519 19151 2833 1 4 . 1 1 103 103 GLY C C 103 175.690 175.690 175.867 -0.177 19151 2834 1 4 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.219 0.130 19151 2835 1 4 . 1 1 104 104 GLY N N 104 106.150 106.150 109.218 -3.068 19151 2836 1 4 . 1 1 104 104 GLY C C 104 174.570 174.570 176.177 -1.607 19151 2837 1 4 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.088 1.262 19151 2838 1 4 . 1 1 104 104 GLY H H 104 7.108 7.108 7.586 -0.478 19151 2839 1 4 . 1 1 105 105 LYS N N 105 120.732 120.732 122.338 -1.606 19151 2840 1 4 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.962 -0.025 19151 2841 1 4 . 1 1 105 105 LYS C C 105 179.706 179.706 178.926 0.780 19151 2842 1 4 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.904 0.404 19151 2843 1 4 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.149 -0.352 19151 2844 1 4 . 1 1 105 105 LYS H H 105 7.708 7.708 7.500 0.208 19151 2845 1 4 . 1 1 106 106 GLN N N 106 119.087 119.087 117.875 1.212 19151 2846 1 4 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.154 -0.012 19151 2847 1 4 . 1 1 106 106 GLN C C 106 179.418 179.418 178.591 0.827 19151 2848 1 4 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.748 0.127 19151 2849 1 4 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.366 0.393 19151 2850 1 4 . 1 1 106 106 GLN H H 106 8.738 8.738 8.427 0.311 19151 2851 1 4 . 1 1 107 107 PHE N N 107 123.088 123.088 119.668 3.420 19151 2852 1 4 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.364 -0.114 19151 2853 1 4 . 1 1 107 107 PHE C C 107 178.403 178.403 177.921 0.482 19151 2854 1 4 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.944 0.241 19151 2855 1 4 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.877 0.574 19151 2856 1 4 . 1 1 107 107 PHE H H 107 7.922 7.922 7.623 0.299 19151 2857 1 4 . 1 1 108 108 ASP N N 108 117.118 117.118 120.202 -3.084 19151 2858 1 4 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.560 -0.186 19151 2859 1 4 . 1 1 108 108 ASP C C 108 176.973 176.973 178.099 -1.126 19151 2860 1 4 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.583 0.846 19151 2861 1 4 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.177 2.946 19151 2862 1 4 . 1 1 108 108 ASP H H 108 8.305 8.305 8.345 -0.040 19151 2863 1 4 . 1 1 109 109 ALA N N 109 118.590 118.590 123.098 -4.508 19151 2864 1 4 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.113 -0.063 19151 2865 1 4 . 1 1 109 109 ALA C C 109 180.430 180.430 179.811 0.619 19151 2866 1 4 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.000 0.196 19151 2867 1 4 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.323 -0.216 19151 2868 1 4 . 1 1 109 109 ALA H H 109 8.332 8.332 8.020 0.312 19151 2869 1 4 . 1 1 110 110 LEU N N 110 120.402 120.402 120.452 -0.050 19151 2870 1 4 . 1 1 110 110 LEU HA H 110 4.085 4.085 4.030 0.055 19151 2871 1 4 . 1 1 110 110 LEU C C 110 177.801 177.801 179.099 -1.298 19151 2872 1 4 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.566 0.074 19151 2873 1 4 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.926 0.830 19151 2874 1 4 . 1 1 110 110 LEU H H 110 7.868 7.868 7.685 0.183 19151 2875 1 4 . 1 1 111 111 LEU N N 111 116.945 116.945 117.432 -0.487 19151 2876 1 4 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.846 -0.128 19151 2877 1 4 . 1 1 111 111 LEU C C 111 179.838 179.838 179.206 0.632 19151 2878 1 4 . 1 1 111 111 LEU CA C 111 57.965 57.965 58.278 -0.312 19151 2879 1 4 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.064 -2.204 19151 2880 1 4 . 1 1 111 111 LEU H H 111 7.704 7.704 7.361 0.343 19151 2881 1 4 . 1 1 112 112 GLN N N 112 118.484 118.484 117.089 1.395 19151 2882 1 4 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.071 0.070 19151 2883 1 4 . 1 1 112 112 GLN C C 112 181.218 181.218 178.400 2.818 19151 2884 1 4 . 1 1 112 112 GLN CA C 112 58.966 58.966 58.299 0.667 19151 2885 1 4 . 1 1 112 112 GLN CB C 112 29.260 29.260 27.767 1.494 19151 2886 1 4 . 1 1 112 112 GLN H H 112 8.441 8.441 7.970 0.471 19151 2887 1 4 . 1 1 113 113 GLU N N 113 122.905 122.905 118.936 3.969 19151 2888 1 4 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.068 0.113 19151 2889 1 4 . 1 1 113 113 GLU C C 113 178.001 178.001 177.922 0.079 19151 2890 1 4 . 1 1 113 113 GLU CA C 113 58.985 58.985 58.395 0.590 19151 2891 1 4 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.412 -0.142 19151 2892 1 4 . 1 1 113 113 GLU H H 113 8.305 8.305 8.096 0.209 19151 2893 1 4 . 1 1 114 114 GLN N N 114 117.332 117.332 118.320 -0.988 19151 2894 1 4 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.243 0.352 19151 2895 1 4 . 1 1 114 114 GLN C C 114 174.538 174.538 177.283 -2.745 19151 2896 1 4 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.617 -1.200 19151 2897 1 4 . 1 1 114 114 GLN CB C 114 25.830 25.830 29.996 -4.166 19151 2898 1 4 . 1 1 114 114 GLN H H 114 7.520 7.520 7.470 0.050 19151 2899 1 4 . 1 1 115 115 SER N N 115 109.100 109.100 109.843 -0.743 19151 2900 1 4 . 1 1 115 115 SER HA H 115 4.200 4.200 4.423 -0.223 19151 2901 1 4 . 1 1 115 115 SER C C 115 172.302 172.302 173.066 -0.764 19151 2902 1 4 . 1 1 115 115 SER CA C 115 60.400 60.400 58.020 2.380 19151 2903 1 4 . 1 1 115 115 SER CB C 115 61.325 61.325 64.068 -2.743 19151 2904 1 4 . 1 1 115 115 SER H H 115 7.950 7.950 8.050 -0.100 19151 2905 1 4 . 1 1 116 116 ALA N N 116 121.059 121.059 125.339 -4.280 19151 2906 1 4 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.297 0.497 19151 2907 1 4 . 1 1 116 116 ALA C C 116 176.774 176.774 176.419 0.355 19151 2908 1 4 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.463 -0.773 19151 2909 1 4 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.385 0.980 19151 2910 1 4 . 1 1 116 116 ALA H H 116 7.813 7.813 7.889 -0.076 19151 2911 1 4 . 1 1 117 117 GLN N N 117 118.000 118.000 119.807 -1.807 19151 2912 1 4 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.518 0.100 19151 2913 1 4 . 1 1 117 117 GLN C C 117 173.769 173.769 175.728 -1.959 19151 2914 1 4 . 1 1 117 117 GLN CA C 117 54.556 54.556 55.474 -0.918 19151 2915 1 4 . 1 1 117 117 GLN CB C 117 30.735 30.735 30.630 0.105 19151 2916 1 4 . 1 1 117 117 GLN H H 117 8.591 8.591 8.592 -0.001 19151 2917 1 4 . 1 1 118 118 ARG N N 118 127.947 127.947 120.688 7.259 19151 2918 1 4 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.074 -1.766 19151 2919 1 4 . 1 1 118 118 ARG C C 118 176.758 176.758 175.188 1.570 19151 2920 1 4 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.708 1.478 19151 2921 1 4 . 1 1 118 118 ARG CB C 118 30.310 30.310 32.464 -2.154 19151 2922 1 4 . 1 1 118 118 ARG H H 118 8.659 8.659 8.537 0.122 19151 2923 1 4 . 1 1 119 119 VAL N N 119 131.939 131.939 124.184 7.755 19151 2924 1 4 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.314 -0.201 19151 2925 1 4 . 1 1 119 119 VAL C C 119 176.775 176.775 175.568 1.207 19151 2926 1 4 . 1 1 119 119 VAL CA C 119 62.174 62.174 60.464 1.710 19151 2927 1 4 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.896 -1.502 19151 2928 1 4 . 1 1 119 119 VAL H H 119 9.520 9.520 8.647 0.873 19151 2929 1 4 . 1 1 120 120 GLY N N 120 116.074 116.074 107.190 8.884 19151 2930 1 4 . 1 1 120 120 GLY C C 120 172.757 172.757 174.644 -1.887 19151 2931 1 4 . 1 1 120 120 GLY CA C 120 43.898 43.898 44.918 -1.020 19151 2932 1 4 . 1 1 120 120 GLY H H 120 8.755 8.755 8.163 0.592 19151 2933 1 4 . 1 1 121 121 GLU N N 121 118.754 118.754 123.391 -4.637 19151 2934 1 4 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.288 0.378 19151 2935 1 4 . 1 1 121 121 GLU C C 121 177.419 177.419 177.405 0.014 19151 2936 1 4 . 1 1 121 121 GLU CA C 121 54.491 54.491 56.679 -2.188 19151 2937 1 4 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.194 1.304 19151 2938 1 4 . 1 1 121 121 GLU H H 121 8.594 8.594 8.510 0.084 19151 2939 1 4 . 1 1 122 122 MET N N 122 122.642 122.642 120.141 2.501 19151 2940 1 4 . 1 1 122 122 MET HA H 122 4.415 4.415 4.777 -0.362 19151 2941 1 4 . 1 1 122 122 MET C C 122 175.351 175.351 175.608 -0.257 19151 2942 1 4 . 1 1 122 122 MET CA C 122 57.024 57.024 55.042 1.982 19151 2943 1 4 . 1 1 122 122 MET CB C 122 34.210 34.210 33.172 1.038 19151 2944 1 4 . 1 1 122 122 MET H H 122 8.892 8.892 8.498 0.394 19151 2945 1 4 . 1 1 123 123 LEU N N 123 129.535 129.535 122.819 6.716 19151 2946 1 4 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.441 -0.091 19151 2947 1 4 . 1 1 123 123 LEU C C 123 173.124 173.124 174.106 -0.982 19151 2948 1 4 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.247 0.492 19151 2949 1 4 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.674 -1.596 19151 2950 1 4 . 1 1 123 123 LEU H H 123 7.868 7.868 7.535 0.333 19151 2951 1 4 . 1 1 124 124 LEU N N 124 127.120 127.120 126.049 1.071 19151 2952 1 4 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.724 0.331 19151 2953 1 4 . 1 1 124 124 LEU C C 124 176.379 176.379 176.146 0.233 19151 2954 1 4 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.180 0.370 19151 2955 1 4 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.772 -1.394 19151 2956 1 4 . 1 1 124 124 LEU H H 124 8.346 8.346 8.234 0.112 19151 2957 1 4 . 1 1 125 125 ILE N N 125 124.337 124.337 124.977 -0.640 19151 2958 1 4 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.285 -0.105 19151 2959 1 4 . 1 1 125 125 ILE C C 125 174.303 174.303 174.763 -0.460 19151 2960 1 4 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.788 0.312 19151 2961 1 4 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.848 -0.905 19151 2962 1 4 . 1 1 125 125 ILE H H 125 8.974 8.974 8.621 0.353 19151 2963 1 4 . 1 1 126 126 ASP N N 126 127.113 127.113 128.338 -1.225 19151 2964 1 4 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.498 -0.383 19151 2965 1 4 . 1 1 126 126 ASP C C 126 176.766 176.766 176.564 0.202 19151 2966 1 4 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.258 -0.411 19151 2967 1 4 . 1 1 126 126 ASP CB C 126 41.100 41.100 41.803 -0.703 19151 2968 1 4 . 1 1 126 126 ASP H H 126 9.397 9.397 8.915 0.482 19151 2969 1 4 . 1 1 127 127 ALA N N 127 131.178 131.178 131.595 -0.417 19151 2970 1 4 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.494 -0.178 19151 2971 1 4 . 1 1 127 127 ALA C C 127 178.530 178.530 178.840 -0.310 19151 2972 1 4 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.023 -0.176 19151 2973 1 4 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.008 -0.215 19151 2974 1 4 . 1 1 127 127 ALA H H 127 9.696 9.696 9.210 0.486 19151 2975 1 4 . 1 1 128 128 SER N N 128 112.064 112.064 112.672 -0.608 19151 2976 1 4 . 1 1 128 128 SER HA H 128 4.224 4.224 4.216 0.008 19151 2977 1 4 . 1 1 128 128 SER C C 128 175.000 175.000 175.724 -0.724 19151 2978 1 4 . 1 1 128 128 SER CA C 128 61.246 61.246 60.744 0.502 19151 2979 1 4 . 1 1 128 128 SER CB C 128 63.310 63.310 63.565 -0.255 19151 2980 1 4 . 1 1 128 128 SER H H 128 8.373 8.373 8.285 0.088 19151 2981 1 4 . 1 1 129 129 GLU N N 129 119.468 119.468 118.494 0.974 19151 2982 1 4 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.425 -0.025 19151 2983 1 4 . 1 1 129 129 GLU C C 129 175.947 175.947 175.978 -0.031 19151 2984 1 4 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.888 -0.473 19151 2985 1 4 . 1 1 129 129 GLU CB C 129 31.730 31.730 32.063 -0.333 19151 2986 1 4 . 1 1 129 129 GLU H H 129 7.267 7.267 7.556 -0.289 19151 2987 1 4 . 1 1 130 130 ASN N N 130 115.968 115.968 118.431 -2.463 19151 2988 1 4 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.123 0.043 19151 2989 1 4 . 1 1 130 130 ASN C C 130 172.000 172.000 174.078 -2.078 19151 2990 1 4 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.793 -0.570 19151 2991 1 4 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.805 -0.139 19151 2992 1 4 . 1 1 130 130 ASN H H 130 8.072 8.072 8.283 -0.211 19151 2993 1 4 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.460 0.090 19151 2994 1 4 . 1 1 131 131 PRO C C 131 176.400 176.400 176.184 0.216 19151 2995 1 4 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.825 -0.325 19151 2996 1 4 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.696 0.604 19151 2997 1 4 . 1 1 132 132 GLU N N 132 119.000 119.000 119.435 -0.435 19151 2998 1 4 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.787 0.233 19151 2999 1 4 . 1 1 132 132 GLU C C 132 174.200 174.200 175.186 -0.986 19151 3000 1 4 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.065 -0.064 19151 3001 1 4 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.105 0.595 19151 3002 1 4 . 1 1 132 132 GLU H H 132 7.690 7.690 8.302 -0.612 19151 3003 1 4 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.234 -0.234 19151 3004 1 4 . 1 1 133 133 PRO C C 133 177.391 177.391 178.407 -1.016 19151 3005 1 4 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.271 0.198 19151 3006 1 4 . 1 1 133 133 PRO CB C 133 32.145 32.145 32.038 0.107 19151 3007 1 4 . 1 1 134 134 GLU N N 134 122.846 122.846 118.135 4.711 19151 3008 1 4 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.271 0.949 19151 3009 1 4 . 1 1 134 134 GLU C C 134 178.385 178.385 178.691 -0.306 19151 3010 1 4 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.163 -1.571 19151 3011 1 4 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.795 -2.205 19151 3012 1 4 . 1 1 134 134 GLU H H 134 10.707 10.707 8.828 1.879 19151 3013 1 4 . 1 1 135 135 THR N N 135 113.016 113.016 111.777 1.239 19151 3014 1 4 . 1 1 135 135 THR HA H 135 4.182 4.182 4.212 -0.030 19151 3015 1 4 . 1 1 135 135 THR C C 135 176.460 176.460 175.492 0.968 19151 3016 1 4 . 1 1 135 135 THR CA C 135 64.752 64.752 64.993 -0.241 19151 3017 1 4 . 1 1 135 135 THR CB C 135 69.248 69.248 68.785 0.463 19151 3018 1 4 . 1 1 135 135 THR H H 135 8.168 8.168 7.966 0.202 19151 3019 1 4 . 1 1 136 136 GLU N N 136 118.978 118.978 121.460 -2.482 19151 3020 1 4 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.512 0.052 19151 3021 1 4 . 1 1 136 136 GLU C C 136 178.370 178.370 178.604 -0.234 19151 3022 1 4 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.075 -1.162 19151 3023 1 4 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.887 1.212 19151 3024 1 4 . 1 1 136 136 GLU H H 136 7.680 7.680 7.634 0.046 19151 3025 1 4 . 1 1 137 137 SER N N 137 116.501 116.501 116.011 0.490 19151 3026 1 4 . 1 1 137 137 SER HA H 137 4.033 4.033 4.233 -0.200 19151 3027 1 4 . 1 1 137 137 SER C C 137 175.670 175.670 176.685 -1.015 19151 3028 1 4 . 1 1 137 137 SER CA C 137 62.330 62.330 61.938 0.392 19151 3029 1 4 . 1 1 137 137 SER CB C 137 61.380 61.380 63.098 -1.718 19151 3030 1 4 . 1 1 137 137 SER H H 137 8.824 8.824 8.489 0.335 19151 3031 1 4 . 1 1 138 138 ASN N N 138 123.517 123.517 121.217 2.300 19151 3032 1 4 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.723 -0.132 19151 3033 1 4 . 1 1 138 138 ASN C C 138 175.700 175.700 175.434 0.266 19151 3034 1 4 . 1 1 138 138 ASN CA C 138 57.486 57.486 56.722 0.764 19151 3035 1 4 . 1 1 138 138 ASN CB C 138 34.253 34.253 35.885 -1.632 19151 3036 1 4 . 1 1 138 138 ASN H H 138 8.564 8.564 8.380 0.184 19151 3037 1 4 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.181 0.274 19151 3038 1 4 . 1 1 139 139 PRO C C 139 180.033 180.033 178.158 1.875 19151 3039 1 4 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.208 0.402 19151 3040 1 4 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.229 -0.693 19151 3041 1 4 . 1 1 140 140 TRP N N 140 119.700 119.700 121.476 -1.776 19151 3042 1 4 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.326 0.007 19151 3043 1 4 . 1 1 140 140 TRP C C 140 179.195 179.195 178.178 1.017 19151 3044 1 4 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.589 0.591 19151 3045 1 4 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.412 1.339 19151 3046 1 4 . 1 1 140 140 TRP H H 140 7.057 7.057 7.511 -0.454 19151 3047 1 4 . 1 1 141 141 VAL N N 141 122.879 122.879 118.653 4.226 19151 3048 1 4 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.660 0.076 19151 3049 1 4 . 1 1 141 141 VAL C C 141 177.416 177.416 178.341 -0.925 19151 3050 1 4 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.308 -0.592 19151 3051 1 4 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.602 -0.170 19151 3052 1 4 . 1 1 141 141 VAL H H 141 9.629 9.629 8.775 0.854 19151 3053 1 4 . 1 1 142 142 GLU N N 142 119.965 119.965 118.839 1.126 19151 3054 1 4 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.051 -0.319 19151 3055 1 4 . 1 1 142 142 GLU C C 142 178.800 178.800 177.731 1.069 19151 3056 1 4 . 1 1 142 142 GLU CA C 142 59.332 59.332 58.813 0.519 19151 3057 1 4 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.712 -0.152 19151 3058 1 4 . 1 1 142 142 GLU H H 142 8.551 8.551 8.142 0.409 19151 3059 1 4 . 1 1 143 143 HIS N N 143 115.364 115.364 116.774 -1.410 19151 3060 1 4 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.375 -0.085 19151 3061 1 4 . 1 1 143 143 HIS C C 143 177.840 177.840 176.417 1.423 19151 3062 1 4 . 1 1 143 143 HIS CA C 143 59.363 59.363 57.355 2.007 19151 3063 1 4 . 1 1 143 143 HIS CB C 143 29.362 29.362 30.492 -1.130 19151 3064 1 4 . 1 1 143 143 HIS H H 143 7.380 7.380 7.553 -0.173 19151 3065 1 4 . 1 1 144 144 TRP N N 144 126.680 126.680 122.707 3.973 19151 3066 1 4 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.975 -0.641 19151 3067 1 4 . 1 1 144 144 TRP C C 144 178.200 178.200 178.342 -0.142 19151 3068 1 4 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.877 2.083 19151 3069 1 4 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.513 0.012 19151 3070 1 4 . 1 1 144 144 TRP H H 144 9.215 9.215 8.652 0.563 19151 3071 1 4 . 1 1 145 145 GLY N N 145 100.130 100.130 105.106 -4.976 19151 3072 1 4 . 1 1 145 145 GLY C C 145 177.391 177.391 175.510 1.881 19151 3073 1 4 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.253 -0.493 19151 3074 1 4 . 1 1 145 145 GLY H H 145 8.834 8.834 8.739 0.095 19151 3075 1 4 . 1 1 146 146 THR N N 146 110.831 110.831 114.584 -3.753 19151 3076 1 4 . 1 1 146 146 THR HA H 146 4.319 4.319 4.118 0.201 19151 3077 1 4 . 1 1 146 146 THR C C 146 175.574 175.574 175.513 0.061 19151 3078 1 4 . 1 1 146 146 THR CA C 146 63.260 63.260 64.384 -1.124 19151 3079 1 4 . 1 1 146 146 THR CB C 146 69.660 69.660 68.472 1.188 19151 3080 1 4 . 1 1 146 146 THR H H 146 7.594 7.594 7.568 0.026 19151 3081 1 4 . 1 1 147 147 LEU N N 147 120.678 120.678 119.475 1.203 19151 3082 1 4 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.170 -0.112 19151 3083 1 4 . 1 1 147 147 LEU C C 147 177.176 177.176 176.142 1.034 19151 3084 1 4 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.555 -1.241 19151 3085 1 4 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.017 0.211 19151 3086 1 4 . 1 1 147 147 LEU H H 147 7.458 7.458 7.555 -0.097 19151 3087 1 4 . 1 1 148 148 LEU N N 148 117.062 117.062 118.640 -1.578 19151 3088 1 4 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.714 0.004 19151 3089 1 4 . 1 1 148 148 LEU C C 148 175.570 175.570 176.427 -0.857 19151 3090 1 4 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.588 -0.637 19151 3091 1 4 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.133 -1.534 19151 3092 1 4 . 1 1 148 148 LEU H H 148 6.482 6.482 6.826 -0.344 19151 3093 1 5 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.462 -0.233 19151 3094 1 5 . 1 1 2 2 ALA C C 2 173.315 173.315 175.490 -2.175 19151 3095 1 5 . 1 1 2 2 ALA CA C 2 51.580 51.580 52.308 -0.728 19151 3096 1 5 . 1 1 2 2 ALA CB C 2 20.223 20.223 19.977 0.246 19151 3097 1 5 . 1 1 3 3 GLU N N 3 121.874 121.874 120.640 1.234 19151 3098 1 5 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.285 -0.011 19151 3099 1 5 . 1 1 3 3 GLU C C 3 174.545 174.545 175.349 -0.804 19151 3100 1 5 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.358 0.492 19151 3101 1 5 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.321 -0.601 19151 3102 1 5 . 1 1 3 3 GLU H H 3 8.696 8.696 8.468 0.228 19151 3103 1 5 . 1 1 4 4 ILE N N 4 120.672 120.672 125.337 -4.665 19151 3104 1 5 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.718 0.392 19151 3105 1 5 . 1 1 4 4 ILE C C 4 175.463 175.463 175.077 0.386 19151 3106 1 5 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.155 -0.322 19151 3107 1 5 . 1 1 4 4 ILE CB C 4 43.670 43.670 39.963 3.707 19151 3108 1 5 . 1 1 4 4 ILE H H 4 8.860 8.860 8.897 -0.037 19151 3109 1 5 . 1 1 5 5 GLY N N 5 119.310 119.310 115.197 4.113 19151 3110 1 5 . 1 1 5 5 GLY C C 5 171.260 171.260 172.859 -1.599 19151 3111 1 5 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.562 0.258 19151 3112 1 5 . 1 1 5 5 GLY H H 5 8.469 8.469 8.345 0.124 19151 3113 1 5 . 1 1 6 6 ILE N N 6 126.915 126.915 126.202 0.713 19151 3114 1 5 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.109 0.081 19151 3115 1 5 . 1 1 6 6 ILE C C 6 173.901 173.901 174.430 -0.529 19151 3116 1 5 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.606 -0.606 19151 3117 1 5 . 1 1 6 6 ILE CB C 6 38.000 38.000 40.044 -2.045 19151 3118 1 5 . 1 1 6 6 ILE H H 6 9.056 9.056 9.117 -0.061 19151 3119 1 5 . 1 1 7 7 PHE N N 7 127.354 127.354 127.235 0.119 19151 3120 1 5 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.058 -0.546 19151 3121 1 5 . 1 1 7 7 PHE C C 7 174.230 174.230 174.420 -0.190 19151 3122 1 5 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.552 1.858 19151 3123 1 5 . 1 1 7 7 PHE CB C 7 41.728 41.728 41.333 0.395 19151 3124 1 5 . 1 1 7 7 PHE H H 7 8.960 8.960 9.546 -0.586 19151 3125 1 5 . 1 1 8 8 VAL N N 8 127.270 127.270 124.442 2.828 19151 3126 1 5 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.158 -0.098 19151 3127 1 5 . 1 1 8 8 VAL C C 8 175.450 175.450 175.663 -0.213 19151 3128 1 5 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.201 0.999 19151 3129 1 5 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.793 0.644 19151 3130 1 5 . 1 1 8 8 VAL H H 8 8.581 8.581 7.857 0.724 19151 3131 1 5 . 1 1 9 9 GLY N N 9 115.000 115.000 117.734 -2.734 19151 3132 1 5 . 1 1 9 9 GLY C C 9 173.150 173.150 172.108 1.042 19151 3133 1 5 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.417 0.583 19151 3134 1 5 . 1 1 9 9 GLY H H 9 9.393 9.393 9.143 0.250 19151 3135 1 5 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.723 -0.028 19151 3136 1 5 . 1 1 12 12 TYR C C 12 176.560 176.560 176.230 0.330 19151 3137 1 5 . 1 1 12 12 TYR CA C 12 57.750 57.750 57.255 0.495 19151 3138 1 5 . 1 1 12 12 TYR CB C 12 38.000 38.000 39.851 -1.851 19151 3139 1 5 . 1 1 13 13 GLY N N 13 109.870 109.870 109.571 0.299 19151 3140 1 5 . 1 1 13 13 GLY C C 13 175.930 175.930 173.661 2.269 19151 3141 1 5 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.689 1.311 19151 3142 1 5 . 1 1 13 13 GLY H H 13 8.500 8.500 8.558 -0.058 19151 3143 1 5 . 1 1 17 17 LEU HA H 17 4.230 4.230 3.767 0.463 19151 3144 1 5 . 1 1 17 17 LEU C C 17 179.210 179.210 177.930 1.280 19151 3145 1 5 . 1 1 17 17 LEU CA C 17 58.400 58.400 58.074 0.326 19151 3146 1 5 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.748 -0.448 19151 3147 1 5 . 1 1 18 18 VAL N N 18 117.231 117.231 117.461 -0.230 19151 3148 1 5 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.611 -0.288 19151 3149 1 5 . 1 1 18 18 VAL C C 18 178.460 178.460 178.090 0.370 19151 3150 1 5 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.049 0.817 19151 3151 1 5 . 1 1 18 18 VAL CB C 18 31.460 31.460 31.317 0.143 19151 3152 1 5 . 1 1 18 18 VAL H H 18 7.645 7.645 8.022 -0.377 19151 3153 1 5 . 1 1 19 19 ALA N N 19 121.820 121.820 121.242 0.578 19151 3154 1 5 . 1 1 19 19 ALA HA H 19 3.816 3.816 4.020 -0.204 19151 3155 1 5 . 1 1 19 19 ALA C C 19 178.180 178.180 179.470 -1.290 19151 3156 1 5 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.589 -0.013 19151 3157 1 5 . 1 1 19 19 ALA CB C 19 20.000 20.000 17.982 2.018 19151 3158 1 5 . 1 1 19 19 ALA H H 19 8.010 8.010 7.855 0.155 19151 3159 1 5 . 1 1 20 20 GLU N N 20 118.960 118.960 118.361 0.599 19151 3160 1 5 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.027 -0.011 19151 3161 1 5 . 1 1 20 20 GLU C C 20 180.950 180.950 179.424 1.526 19151 3162 1 5 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.107 0.559 19151 3163 1 5 . 1 1 20 20 GLU CB C 20 29.300 29.300 28.914 0.386 19151 3164 1 5 . 1 1 20 20 GLU H H 20 8.700 8.700 7.858 0.842 19151 3165 1 5 . 1 1 21 21 GLU N N 21 121.371 121.371 119.837 1.534 19151 3166 1 5 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.118 -0.074 19151 3167 1 5 . 1 1 21 21 GLU C C 21 179.419 179.419 178.919 0.500 19151 3168 1 5 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.196 0.114 19151 3169 1 5 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.361 0.200 19151 3170 1 5 . 1 1 21 21 GLU H H 21 8.632 8.632 8.133 0.499 19151 3171 1 5 . 1 1 22 22 ALA N N 22 121.329 121.329 122.675 -1.346 19151 3172 1 5 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.073 -0.015 19151 3173 1 5 . 1 1 22 22 ALA C C 22 178.823 178.823 179.359 -0.536 19151 3174 1 5 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.608 -0.931 19151 3175 1 5 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.133 -0.490 19151 3176 1 5 . 1 1 22 22 ALA H H 22 8.182 8.182 8.652 -0.470 19151 3177 1 5 . 1 1 23 23 GLU N N 23 119.035 119.035 119.198 -0.163 19151 3178 1 5 . 1 1 23 23 GLU HA H 23 3.404 3.404 3.990 -0.586 19151 3179 1 5 . 1 1 23 23 GLU C C 23 178.375 178.375 178.629 -0.254 19151 3180 1 5 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.645 0.663 19151 3181 1 5 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.604 -0.674 19151 3182 1 5 . 1 1 23 23 GLU H H 23 8.387 8.387 8.152 0.235 19151 3183 1 5 . 1 1 24 24 ALA N N 24 122.207 122.207 122.056 0.151 19151 3184 1 5 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.098 -0.068 19151 3185 1 5 . 1 1 24 24 ALA C C 24 181.132 181.132 179.852 1.280 19151 3186 1 5 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.116 0.371 19151 3187 1 5 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.627 -0.627 19151 3188 1 5 . 1 1 24 24 ALA H H 24 7.535 7.535 7.626 -0.091 19151 3189 1 5 . 1 1 25 25 ILE N N 25 121.059 121.059 119.847 1.212 19151 3190 1 5 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.665 -0.001 19151 3191 1 5 . 1 1 25 25 ILE C C 25 178.419 178.419 177.848 0.571 19151 3192 1 5 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.291 -1.183 19151 3193 1 5 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.203 0.760 19151 3194 1 5 . 1 1 25 25 ILE H H 25 7.800 7.800 8.568 -0.768 19151 3195 1 5 . 1 1 26 26 LEU N N 26 119.307 119.307 120.378 -1.071 19151 3196 1 5 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.166 0.010 19151 3197 1 5 . 1 1 26 26 LEU C C 26 179.863 179.863 179.736 0.127 19151 3198 1 5 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.298 -0.352 19151 3199 1 5 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.324 -0.184 19151 3200 1 5 . 1 1 26 26 LEU H H 26 8.509 8.509 8.352 0.157 19151 3201 1 5 . 1 1 27 27 THR N N 27 117.830 117.830 116.219 1.611 19151 3202 1 5 . 1 1 27 27 THR HA H 27 4.524 4.524 4.340 0.184 19151 3203 1 5 . 1 1 27 27 THR C C 27 179.027 179.027 176.324 2.703 19151 3204 1 5 . 1 1 27 27 THR CA C 27 66.000 66.000 66.583 -0.583 19151 3205 1 5 . 1 1 27 27 THR CB C 27 68.600 68.600 68.519 0.081 19151 3206 1 5 . 1 1 27 27 THR H H 27 8.796 8.796 8.485 0.311 19151 3207 1 5 . 1 1 28 28 ALA N N 28 126.313 126.313 122.631 3.682 19151 3208 1 5 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.170 0.035 19151 3209 1 5 . 1 1 28 28 ALA C C 28 179.360 179.360 179.568 -0.208 19151 3210 1 5 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.369 0.631 19151 3211 1 5 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.247 -0.597 19151 3212 1 5 . 1 1 28 28 ALA H H 28 7.832 7.832 7.954 -0.122 19151 3213 1 5 . 1 1 29 29 GLN N N 29 115.527 115.527 116.598 -1.071 19151 3214 1 5 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.146 -0.019 19151 3215 1 5 . 1 1 29 29 GLN C C 29 176.547 176.547 176.870 -0.323 19151 3216 1 5 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.965 -0.402 19151 3217 1 5 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.684 -0.274 19151 3218 1 5 . 1 1 29 29 GLN H H 29 7.353 7.353 8.279 -0.926 19151 3219 1 5 . 1 1 30 30 GLY N N 30 105.961 105.961 106.415 -0.454 19151 3220 1 5 . 1 1 30 30 GLY C C 30 174.785 174.785 173.507 1.278 19151 3221 1 5 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.491 0.009 19151 3222 1 5 . 1 1 30 30 GLY H H 30 7.923 7.923 7.656 0.267 19151 3223 1 5 . 1 1 31 31 HIS N N 31 119.471 119.471 116.795 2.676 19151 3224 1 5 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.843 -0.008 19151 3225 1 5 . 1 1 31 31 HIS C C 31 174.665 174.665 174.141 0.524 19151 3226 1 5 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.472 1.370 19151 3227 1 5 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.958 0.042 19151 3228 1 5 . 1 1 31 31 HIS H H 31 7.558 7.558 8.097 -0.539 19151 3229 1 5 . 1 1 32 32 LYS N N 32 121.854 121.854 123.478 -1.624 19151 3230 1 5 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.421 0.302 19151 3231 1 5 . 1 1 32 32 LYS C C 32 174.466 174.466 174.738 -0.272 19151 3232 1 5 . 1 1 32 32 LYS CA C 32 54.865 54.865 55.159 -0.294 19151 3233 1 5 . 1 1 32 32 LYS CB C 32 32.960 32.960 30.862 2.098 19151 3234 1 5 . 1 1 32 32 LYS H H 32 8.665 8.665 8.900 -0.235 19151 3235 1 5 . 1 1 33 33 ALA N N 33 130.188 130.188 128.356 1.832 19151 3236 1 5 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.385 0.433 19151 3237 1 5 . 1 1 33 33 ALA C C 33 175.567 175.567 177.074 -1.507 19151 3238 1 5 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.984 -1.008 19151 3239 1 5 . 1 1 33 33 ALA CB C 33 22.297 22.297 20.487 1.810 19151 3240 1 5 . 1 1 33 33 ALA H H 33 8.837 8.837 7.922 0.915 19151 3241 1 5 . 1 1 34 34 THR N N 34 117.164 117.164 119.279 -2.115 19151 3242 1 5 . 1 1 34 34 THR HA H 34 4.359 4.359 4.639 -0.280 19151 3243 1 5 . 1 1 34 34 THR C C 34 171.315 171.315 172.978 -1.663 19151 3244 1 5 . 1 1 34 34 THR CA C 34 61.840 61.840 61.628 0.212 19151 3245 1 5 . 1 1 34 34 THR CB C 34 71.800 71.800 72.193 -0.393 19151 3246 1 5 . 1 1 34 34 THR H H 34 7.826 7.826 8.969 -1.143 19151 3247 1 5 . 1 1 35 35 VAL N N 35 126.650 126.650 126.516 0.134 19151 3248 1 5 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.509 -0.326 19151 3249 1 5 . 1 1 35 35 VAL C C 35 174.675 174.675 174.206 0.469 19151 3250 1 5 . 1 1 35 35 VAL CA C 35 61.928 61.928 60.125 1.803 19151 3251 1 5 . 1 1 35 35 VAL CB C 35 32.650 32.650 33.421 -0.771 19151 3252 1 5 . 1 1 35 35 VAL H H 35 8.496 8.496 8.298 0.198 19151 3253 1 5 . 1 1 36 36 PHE N N 36 127.630 127.630 128.167 -0.537 19151 3254 1 5 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.723 -0.172 19151 3255 1 5 . 1 1 36 36 PHE C C 36 174.347 174.347 174.441 -0.094 19151 3256 1 5 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.714 0.768 19151 3257 1 5 . 1 1 36 36 PHE CB C 36 40.165 40.165 41.226 -1.061 19151 3258 1 5 . 1 1 36 36 PHE H H 36 9.164 9.164 9.140 0.024 19151 3259 1 5 . 1 1 37 37 GLU N N 37 123.516 123.516 123.917 -0.401 19151 3260 1 5 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.474 -0.004 19151 3261 1 5 . 1 1 37 37 GLU C C 37 175.954 175.954 176.115 -0.161 19151 3262 1 5 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.047 -0.328 19151 3263 1 5 . 1 1 37 37 GLU CB C 37 31.460 31.460 31.173 0.287 19151 3264 1 5 . 1 1 37 37 GLU H H 37 8.455 8.455 8.582 -0.127 19151 3265 1 5 . 1 1 38 38 ASP N N 38 120.395 120.395 122.029 -1.634 19151 3266 1 5 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.444 0.389 19151 3267 1 5 . 1 1 38 38 ASP C C 38 173.920 173.920 174.660 -0.740 19151 3268 1 5 . 1 1 38 38 ASP CA C 38 54.477 54.477 53.886 0.591 19151 3269 1 5 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.717 -0.113 19151 3270 1 5 . 1 1 38 38 ASP H H 38 9.602 9.602 8.646 0.956 19151 3271 1 5 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.592 0.088 19151 3272 1 5 . 1 1 39 39 PRO C C 39 176.274 176.274 176.403 -0.129 19151 3273 1 5 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.195 -0.211 19151 3274 1 5 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.945 1.455 19151 3275 1 5 . 1 1 40 40 GLU N N 40 119.026 119.026 120.832 -1.806 19151 3276 1 5 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.651 0.077 19151 3277 1 5 . 1 1 40 40 GLU C C 40 177.827 177.827 178.390 -0.563 19151 3278 1 5 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.044 -0.074 19151 3279 1 5 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.355 2.045 19151 3280 1 5 . 1 1 40 40 GLU H H 40 9.178 9.178 8.892 0.286 19151 3281 1 5 . 1 1 41 41 LEU N N 41 123.708 123.708 123.633 0.075 19151 3282 1 5 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.253 -0.359 19151 3283 1 5 . 1 1 41 41 LEU C C 41 178.730 178.730 177.530 1.200 19151 3284 1 5 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.397 1.010 19151 3285 1 5 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.715 -0.062 19151 3286 1 5 . 1 1 41 41 LEU H H 41 9.160 9.160 8.658 0.502 19151 3287 1 5 . 1 1 42 42 SER N N 42 110.500 110.500 113.888 -3.388 19151 3288 1 5 . 1 1 42 42 SER HA H 42 4.010 4.010 4.235 -0.225 19151 3289 1 5 . 1 1 42 42 SER C C 42 176.300 176.300 175.187 1.113 19151 3290 1 5 . 1 1 42 42 SER CA C 42 61.600 61.600 60.827 0.773 19151 3291 1 5 . 1 1 42 42 SER CB C 42 62.140 62.140 62.886 -0.746 19151 3292 1 5 . 1 1 42 42 SER H H 42 8.415 8.415 8.524 -0.109 19151 3293 1 5 . 1 1 43 43 ASP N N 43 119.770 119.770 120.527 -0.757 19151 3294 1 5 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.617 -0.160 19151 3295 1 5 . 1 1 43 43 ASP C C 43 176.150 176.150 176.260 -0.110 19151 3296 1 5 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.757 0.993 19151 3297 1 5 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.882 1.818 19151 3298 1 5 . 1 1 43 43 ASP H H 43 7.690 7.690 8.020 -0.330 19151 3299 1 5 . 1 1 44 44 TRP N N 44 118.500 118.500 121.151 -2.651 19151 3300 1 5 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.641 -0.431 19151 3301 1 5 . 1 1 44 44 TRP C C 44 177.150 177.150 177.682 -0.532 19151 3302 1 5 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.499 0.888 19151 3303 1 5 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.694 -0.384 19151 3304 1 5 . 1 1 44 44 TRP H H 44 7.464 7.464 7.438 0.026 19151 3305 1 5 . 1 1 45 45 LEU N N 45 114.100 114.100 120.815 -6.715 19151 3306 1 5 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.053 0.122 19151 3307 1 5 . 1 1 45 45 LEU C C 45 176.300 176.300 175.851 0.449 19151 3308 1 5 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.200 -0.640 19151 3309 1 5 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.322 -0.102 19151 3310 1 5 . 1 1 45 45 LEU H H 45 7.550 7.550 8.308 -0.758 19151 3311 1 5 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.102 0.278 19151 3312 1 5 . 1 1 46 46 PRO C C 46 176.799 176.799 177.566 -0.767 19151 3313 1 5 . 1 1 46 46 PRO CA C 46 65.287 65.287 65.075 0.212 19151 3314 1 5 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.159 0.441 19151 3315 1 5 . 1 1 47 47 TYR N N 47 113.790 113.790 114.542 -0.752 19151 3316 1 5 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.581 -0.461 19151 3317 1 5 . 1 1 47 47 TYR C C 47 175.730 175.730 178.148 -2.418 19151 3318 1 5 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.452 1.748 19151 3319 1 5 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.767 0.249 19151 3320 1 5 . 1 1 47 47 TYR H H 47 8.291 8.291 8.053 0.238 19151 3321 1 5 . 1 1 48 48 GLN N N 48 116.524 116.524 120.249 -3.725 19151 3322 1 5 . 1 1 48 48 GLN HA H 48 3.885 3.885 4.018 -0.133 19151 3323 1 5 . 1 1 48 48 GLN C C 48 174.381 174.381 176.069 -1.688 19151 3324 1 5 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.488 0.338 19151 3325 1 5 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.785 2.215 19151 3326 1 5 . 1 1 48 48 GLN H H 48 7.300 7.300 7.521 -0.221 19151 3327 1 5 . 1 1 49 49 ASP N N 49 114.657 114.657 114.192 0.465 19151 3328 1 5 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.755 -0.068 19151 3329 1 5 . 1 1 49 49 ASP C C 49 176.307 176.307 175.454 0.853 19151 3330 1 5 . 1 1 49 49 ASP CA C 49 51.735 51.735 54.144 -2.409 19151 3331 1 5 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.477 -1.277 19151 3332 1 5 . 1 1 49 49 ASP H H 49 7.854 7.854 8.408 -0.554 19151 3333 1 5 . 1 1 50 50 LYS N N 50 123.514 123.514 119.788 3.726 19151 3334 1 5 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.680 -0.090 19151 3335 1 5 . 1 1 50 50 LYS C C 50 172.964 172.964 175.370 -2.406 19151 3336 1 5 . 1 1 50 50 LYS CA C 50 54.693 54.693 54.283 0.410 19151 3337 1 5 . 1 1 50 50 LYS CB C 50 33.500 33.500 34.791 -1.292 19151 3338 1 5 . 1 1 50 50 LYS H H 50 7.833 7.833 7.621 0.212 19151 3339 1 5 . 1 1 51 51 TYR N N 51 118.375 118.375 115.858 2.517 19151 3340 1 5 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.699 0.356 19151 3341 1 5 . 1 1 51 51 TYR C C 51 175.875 175.875 176.245 -0.370 19151 3342 1 5 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.441 0.980 19151 3343 1 5 . 1 1 51 51 TYR CB C 51 42.477 42.477 40.536 1.941 19151 3344 1 5 . 1 1 51 51 TYR H H 51 7.745 7.745 8.110 -0.365 19151 3345 1 5 . 1 1 52 52 VAL N N 52 112.527 112.527 115.086 -2.559 19151 3346 1 5 . 1 1 52 52 VAL HA H 52 5.500 5.500 5.059 0.441 19151 3347 1 5 . 1 1 52 52 VAL C C 52 173.910 173.910 174.204 -0.294 19151 3348 1 5 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.461 -1.765 19151 3349 1 5 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.513 0.979 19151 3350 1 5 . 1 1 52 52 VAL H H 52 8.673 8.673 8.466 0.207 19151 3351 1 5 . 1 1 53 53 LEU N N 53 124.294 124.294 124.501 -0.207 19151 3352 1 5 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.266 -0.366 19151 3353 1 5 . 1 1 53 53 LEU C C 53 175.070 175.070 174.464 0.606 19151 3354 1 5 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.453 -0.887 19151 3355 1 5 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.180 -0.950 19151 3356 1 5 . 1 1 53 53 LEU H H 53 9.137 9.137 9.258 -0.121 19151 3357 1 5 . 1 1 54 54 VAL N N 54 127.850 127.850 127.504 0.346 19151 3358 1 5 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.622 -0.112 19151 3359 1 5 . 1 1 54 54 VAL C C 54 174.030 174.030 174.554 -0.524 19151 3360 1 5 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.487 0.338 19151 3361 1 5 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.470 -0.779 19151 3362 1 5 . 1 1 54 54 VAL H H 54 8.619 8.619 8.925 -0.306 19151 3363 1 5 . 1 1 55 55 VAL N N 55 127.181 127.181 128.216 -1.035 19151 3364 1 5 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.797 0.288 19151 3365 1 5 . 1 1 55 55 VAL C C 55 174.942 174.942 174.389 0.553 19151 3366 1 5 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.734 -0.665 19151 3367 1 5 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.451 -0.229 19151 3368 1 5 . 1 1 55 55 VAL H H 55 8.578 8.578 9.062 -0.484 19151 3369 1 5 . 1 1 56 56 THR N N 56 117.420 117.420 122.869 -5.449 19151 3370 1 5 . 1 1 56 56 THR HA H 56 5.590 5.590 5.075 0.515 19151 3371 1 5 . 1 1 56 56 THR C C 56 172.640 172.640 172.825 -0.185 19151 3372 1 5 . 1 1 56 56 THR CA C 56 59.359 59.359 60.989 -1.630 19151 3373 1 5 . 1 1 56 56 THR CB C 56 70.715 70.715 71.070 -0.355 19151 3374 1 5 . 1 1 56 56 THR H H 56 8.710 8.710 9.075 -0.365 19151 3375 1 5 . 1 1 57 57 SER HA H 57 5.250 5.250 5.228 0.022 19151 3376 1 5 . 1 1 57 57 SER CA C 57 57.730 57.730 57.439 0.291 19151 3377 1 5 . 1 1 57 57 SER CB C 57 64.500 64.500 65.334 -0.834 19151 3378 1 5 . 1 1 57 57 SER H H 57 8.075 8.075 9.033 -0.958 19151 3379 1 5 . 1 1 58 58 THR H H 58 7.900 7.900 8.748 -0.848 19151 3380 1 5 . 1 1 59 59 THR HA H 59 4.900 4.900 4.038 0.862 19151 3381 1 5 . 1 1 59 59 THR CA C 59 61.200 61.200 66.093 -4.893 19151 3382 1 5 . 1 1 59 59 THR CB C 59 73.400 73.400 69.221 4.179 19151 3383 1 5 . 1 1 59 59 THR H H 59 9.230 9.230 7.922 1.308 19151 3384 1 5 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.953 0.548 19151 3385 1 5 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.223 0.183 19151 3386 1 5 . 1 1 61 61 GLN C C 61 175.950 175.950 176.579 -0.629 19151 3387 1 5 . 1 1 61 61 GLN CA C 61 55.350 55.350 55.702 -0.352 19151 3388 1 5 . 1 1 61 61 GLN CB C 61 29.160 29.160 29.240 -0.080 19151 3389 1 5 . 1 1 62 62 GLY N N 62 108.420 108.420 107.905 0.515 19151 3390 1 5 . 1 1 62 62 GLY C C 62 173.134 173.134 173.502 -0.368 19151 3391 1 5 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.962 0.822 19151 3392 1 5 . 1 1 62 62 GLY H H 62 8.073 8.073 8.022 0.051 19151 3393 1 5 . 1 1 63 63 ASP N N 63 118.400 118.400 118.465 -0.065 19151 3394 1 5 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.881 -0.101 19151 3395 1 5 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.321 0.975 19151 3396 1 5 . 1 1 63 63 ASP CB C 63 42.740 42.740 43.106 -0.366 19151 3397 1 5 . 1 1 63 63 ASP H H 63 7.248 7.248 8.373 -1.125 19151 3398 1 5 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.590 -0.190 19151 3399 1 5 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.753 1.397 19151 3400 1 5 . 1 1 64 64 LEU CB C 64 41.687 41.687 43.723 -2.036 19151 3401 1 5 . 1 1 64 64 LEU H H 64 8.445 8.445 8.025 0.420 19151 3402 1 5 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.391 -0.098 19151 3403 1 5 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.991 -0.647 19151 3404 1 5 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.557 -0.077 19151 3405 1 5 . 1 1 66 66 ASP N N 66 121.200 121.200 122.784 -1.584 19151 3406 1 5 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.376 -0.116 19151 3407 1 5 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.229 1.401 19151 3408 1 5 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.889 -0.089 19151 3409 1 5 . 1 1 66 66 ASP H H 66 8.605 8.605 8.530 0.075 19151 3410 1 5 . 1 1 67 67 SER HA H 67 4.292 4.292 4.364 -0.072 19151 3411 1 5 . 1 1 67 67 SER C C 67 175.650 175.650 174.850 0.800 19151 3412 1 5 . 1 1 67 67 SER CA C 67 60.500 60.500 60.275 0.225 19151 3413 1 5 . 1 1 67 67 SER CB C 67 63.530 63.530 63.850 -0.320 19151 3414 1 5 . 1 1 68 68 ILE N N 68 120.550 120.550 120.376 0.174 19151 3415 1 5 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.470 0.640 19151 3416 1 5 . 1 1 68 68 ILE C C 68 174.713 174.713 176.488 -1.775 19151 3417 1 5 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.882 -0.482 19151 3418 1 5 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.856 3.384 19151 3419 1 5 . 1 1 68 68 ILE H H 68 7.870 7.870 7.614 0.256 19151 3420 1 5 . 1 1 69 69 VAL N N 69 125.740 125.740 123.436 2.304 19151 3421 1 5 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.788 -0.043 19151 3422 1 5 . 1 1 69 69 VAL C C 69 174.500 174.500 174.920 -0.420 19151 3423 1 5 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.244 -0.694 19151 3424 1 5 . 1 1 69 69 VAL CB C 69 30.130 30.130 28.741 1.389 19151 3425 1 5 . 1 1 69 69 VAL H H 69 7.428 7.428 8.551 -1.123 19151 3426 1 5 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.331 -0.039 19151 3427 1 5 . 1 1 70 70 PRO C C 70 180.820 180.820 179.169 1.651 19151 3428 1 5 . 1 1 70 70 PRO CA C 70 66.470 66.470 65.930 0.540 19151 3429 1 5 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.277 -0.620 19151 3430 1 5 . 1 1 71 71 LEU N N 71 119.467 119.467 120.359 -0.892 19151 3431 1 5 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.004 -0.159 19151 3432 1 5 . 1 1 71 71 LEU C C 71 176.489 176.489 178.091 -1.602 19151 3433 1 5 . 1 1 71 71 LEU CA C 71 58.207 58.207 58.121 0.086 19151 3434 1 5 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.796 -0.310 19151 3435 1 5 . 1 1 71 71 LEU H H 71 7.918 7.918 7.370 0.548 19151 3436 1 5 . 1 1 72 72 PHE N N 72 119.361 119.361 119.259 0.102 19151 3437 1 5 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.343 -0.198 19151 3438 1 5 . 1 1 72 72 PHE C C 72 175.968 175.968 177.184 -1.216 19151 3439 1 5 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.717 0.104 19151 3440 1 5 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.702 0.845 19151 3441 1 5 . 1 1 72 72 PHE H H 72 7.903 7.903 8.704 -0.801 19151 3442 1 5 . 1 1 73 73 GLN N N 73 116.100 116.100 116.875 -0.775 19151 3443 1 5 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.756 -0.229 19151 3444 1 5 . 1 1 73 73 GLN C C 73 177.871 177.871 178.581 -0.710 19151 3445 1 5 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.826 -0.686 19151 3446 1 5 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.528 -0.381 19151 3447 1 5 . 1 1 73 73 GLN H H 73 9.042 9.042 8.705 0.337 19151 3448 1 5 . 1 1 74 74 GLY N N 74 107.110 107.110 108.612 -1.502 19151 3449 1 5 . 1 1 74 74 GLY C C 74 175.894 175.894 176.104 -0.210 19151 3450 1 5 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.815 0.466 19151 3451 1 5 . 1 1 74 74 GLY H H 74 8.045 8.045 7.954 0.091 19151 3452 1 5 . 1 1 75 75 ILE N N 75 123.629 123.629 122.815 0.814 19151 3453 1 5 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.367 -0.317 19151 3454 1 5 . 1 1 75 75 ILE C C 75 178.622 178.622 177.083 1.539 19151 3455 1 5 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.823 0.434 19151 3456 1 5 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.414 0.553 19151 3457 1 5 . 1 1 75 75 ILE H H 75 8.174 8.174 8.131 0.043 19151 3458 1 5 . 1 1 76 76 LYS N N 76 119.363 119.363 118.397 0.966 19151 3459 1 5 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.793 -0.488 19151 3460 1 5 . 1 1 76 76 LYS C C 76 177.909 177.909 178.235 -0.326 19151 3461 1 5 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.208 0.497 19151 3462 1 5 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.954 0.396 19151 3463 1 5 . 1 1 76 76 LYS H H 76 7.600 7.600 7.462 0.138 19151 3464 1 5 . 1 1 77 77 ASP N N 77 115.190 115.190 117.620 -2.430 19151 3465 1 5 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.612 -0.130 19151 3466 1 5 . 1 1 77 77 ASP C C 77 178.825 178.825 177.986 0.839 19151 3467 1 5 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.900 0.380 19151 3468 1 5 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.940 -0.750 19151 3469 1 5 . 1 1 77 77 ASP H H 77 8.482 8.482 8.235 0.247 19151 3470 1 5 . 1 1 78 78 SER N N 78 112.576 112.576 115.929 -3.353 19151 3471 1 5 . 1 1 78 78 SER HA H 78 4.728 4.728 4.419 0.309 19151 3472 1 5 . 1 1 78 78 SER C C 78 174.556 174.556 174.801 -0.245 19151 3473 1 5 . 1 1 78 78 SER CA C 78 60.045 60.045 60.346 -0.301 19151 3474 1 5 . 1 1 78 78 SER CB C 78 64.643 64.643 64.006 0.637 19151 3475 1 5 . 1 1 78 78 SER H H 78 8.273 8.273 7.955 0.318 19151 3476 1 5 . 1 1 79 79 LEU N N 79 120.833 120.833 121.194 -0.361 19151 3477 1 5 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.398 0.417 19151 3478 1 5 . 1 1 79 79 LEU C C 79 176.251 176.251 178.822 -2.571 19151 3479 1 5 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.430 -2.470 19151 3480 1 5 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.357 -3.161 19151 3481 1 5 . 1 1 79 79 LEU H H 79 7.025 7.025 7.442 -0.417 19151 3482 1 5 . 1 1 80 80 GLY N N 80 108.861 108.861 106.886 1.975 19151 3483 1 5 . 1 1 80 80 GLY C C 80 173.623 173.623 173.628 -0.005 19151 3484 1 5 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.489 -0.260 19151 3485 1 5 . 1 1 80 80 GLY H H 80 7.499 7.499 8.127 -0.628 19151 3486 1 5 . 1 1 81 81 PHE N N 81 121.441 121.441 119.428 2.013 19151 3487 1 5 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.770 0.290 19151 3488 1 5 . 1 1 81 81 PHE C C 81 174.411 174.411 172.492 1.919 19151 3489 1 5 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.181 0.030 19151 3490 1 5 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.348 -0.728 19151 3491 1 5 . 1 1 81 81 PHE H H 81 8.018 8.018 7.448 0.570 19151 3492 1 5 . 1 1 82 82 GLN N N 82 126.480 126.480 122.818 3.662 19151 3493 1 5 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.597 0.293 19151 3494 1 5 . 1 1 82 82 GLN C C 82 172.700 172.700 173.284 -0.584 19151 3495 1 5 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.007 2.170 19151 3496 1 5 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.890 1.710 19151 3497 1 5 . 1 1 82 82 GLN H H 82 9.588 9.588 7.406 2.182 19151 3498 1 5 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.389 -0.016 19151 3499 1 5 . 1 1 83 83 PRO C C 83 178.163 178.163 176.652 1.511 19151 3500 1 5 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.081 -0.390 19151 3501 1 5 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.737 -0.872 19151 3502 1 5 . 1 1 84 84 ASN N N 84 116.900 116.900 114.176 2.724 19151 3503 1 5 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.900 -0.131 19151 3504 1 5 . 1 1 84 84 ASN C C 84 173.332 173.332 174.011 -0.679 19151 3505 1 5 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.526 0.034 19151 3506 1 5 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.313 -1.053 19151 3507 1 5 . 1 1 84 84 ASN H H 84 8.578 8.578 8.259 0.319 19151 3508 1 5 . 1 1 85 85 LEU N N 85 124.380 124.380 123.091 1.289 19151 3509 1 5 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.343 -0.297 19151 3510 1 5 . 1 1 85 85 LEU C C 85 175.880 175.880 175.945 -0.065 19151 3511 1 5 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.986 0.856 19151 3512 1 5 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.172 -0.872 19151 3513 1 5 . 1 1 85 85 LEU H H 85 7.240 7.240 7.652 -0.412 19151 3514 1 5 . 1 1 86 86 ARG N N 86 128.715 128.715 124.420 4.295 19151 3515 1 5 . 1 1 86 86 ARG HA H 86 5.794 5.794 4.983 0.811 19151 3516 1 5 . 1 1 86 86 ARG C C 86 175.554 175.554 174.296 1.258 19151 3517 1 5 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.417 0.025 19151 3518 1 5 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.344 -1.471 19151 3519 1 5 . 1 1 86 86 ARG H H 86 7.732 7.732 8.291 -0.559 19151 3520 1 5 . 1 1 87 87 TYR N N 87 117.420 117.420 119.903 -2.483 19151 3521 1 5 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.601 1.164 19151 3522 1 5 . 1 1 87 87 TYR C C 87 172.931 172.931 173.248 -0.317 19151 3523 1 5 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.412 -1.151 19151 3524 1 5 . 1 1 87 87 TYR CB C 87 44.938 44.938 42.155 2.783 19151 3525 1 5 . 1 1 87 87 TYR H H 87 8.783 8.783 8.189 0.594 19151 3526 1 5 . 1 1 88 88 GLY N N 88 107.765 107.765 105.684 2.081 19151 3527 1 5 . 1 1 88 88 GLY C C 88 172.621 172.621 170.923 1.698 19151 3528 1 5 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.619 1.242 19151 3529 1 5 . 1 1 88 88 GLY H H 88 8.905 8.905 8.818 0.087 19151 3530 1 5 . 1 1 89 89 VAL N N 89 118.180 118.180 118.156 0.024 19151 3531 1 5 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.952 0.049 19151 3532 1 5 . 1 1 89 89 VAL C C 89 172.939 172.939 172.751 0.188 19151 3533 1 5 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.060 0.939 19151 3534 1 5 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.120 1.278 19151 3535 1 5 . 1 1 89 89 VAL H H 89 7.499 7.499 8.141 -0.642 19151 3536 1 5 . 1 1 90 90 ILE N N 90 125.000 125.000 126.198 -1.198 19151 3537 1 5 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.075 0.052 19151 3538 1 5 . 1 1 90 90 ILE C C 90 173.099 173.099 173.402 -0.303 19151 3539 1 5 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.922 0.566 19151 3540 1 5 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.619 -0.221 19151 3541 1 5 . 1 1 90 90 ILE H H 90 8.810 8.810 8.880 -0.070 19151 3542 1 5 . 1 1 91 91 ALA N N 91 129.036 129.036 129.928 -0.892 19151 3543 1 5 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.385 -0.059 19151 3544 1 5 . 1 1 91 91 ALA C C 91 174.000 174.000 175.610 -1.610 19151 3545 1 5 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.627 -0.626 19151 3546 1 5 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.096 1.004 19151 3547 1 5 . 1 1 91 91 ALA H H 91 9.253 9.253 8.879 0.374 19151 3548 1 5 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.155 -0.224 19151 3549 1 5 . 1 1 92 92 LEU C C 92 177.366 177.366 176.810 0.556 19151 3550 1 5 . 1 1 92 92 LEU CA C 92 54.917 54.917 53.984 0.933 19151 3551 1 5 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.129 -2.729 19151 3552 1 5 . 1 1 93 93 GLY N N 93 110.663 110.663 107.395 3.268 19151 3553 1 5 . 1 1 93 93 GLY C C 93 172.029 172.029 171.747 0.282 19151 3554 1 5 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.471 0.259 19151 3555 1 5 . 1 1 93 93 GLY H H 93 8.687 8.687 8.454 0.233 19151 3556 1 5 . 1 1 94 94 ASP N N 94 119.304 119.304 121.591 -2.287 19151 3557 1 5 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.266 -0.006 19151 3558 1 5 . 1 1 94 94 ASP C C 94 176.978 176.978 178.036 -1.058 19151 3559 1 5 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.989 0.618 19151 3560 1 5 . 1 1 94 94 ASP CB C 94 43.000 43.000 41.442 1.558 19151 3561 1 5 . 1 1 94 94 ASP H H 94 8.129 8.129 8.366 -0.237 19151 3562 1 5 . 1 1 95 95 SER N N 95 123.897 123.897 124.003 -0.106 19151 3563 1 5 . 1 1 95 95 SER HA H 95 3.895 3.895 4.322 -0.427 19151 3564 1 5 . 1 1 95 95 SER C C 95 175.243 175.243 176.553 -1.310 19151 3565 1 5 . 1 1 95 95 SER CA C 95 60.183 60.183 61.270 -1.087 19151 3566 1 5 . 1 1 95 95 SER CB C 95 61.700 61.700 62.631 -0.931 19151 3567 1 5 . 1 1 95 95 SER H H 95 8.878 8.878 9.516 -0.638 19151 3568 1 5 . 1 1 96 96 SER N N 96 119.248 119.248 117.640 1.608 19151 3569 1 5 . 1 1 96 96 SER HA H 96 4.209 4.209 4.248 -0.039 19151 3570 1 5 . 1 1 96 96 SER C C 96 173.900 173.900 175.737 -1.837 19151 3571 1 5 . 1 1 96 96 SER CA C 96 60.197 60.197 60.095 0.102 19151 3572 1 5 . 1 1 96 96 SER CB C 96 63.000 63.000 63.083 -0.083 19151 3573 1 5 . 1 1 96 96 SER H H 96 9.124 9.124 8.681 0.443 19151 3574 1 5 . 1 1 97 97 TYR N N 97 120.889 120.889 119.535 1.354 19151 3575 1 5 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.502 0.386 19151 3576 1 5 . 1 1 97 97 TYR C C 97 175.972 175.972 174.762 1.210 19151 3577 1 5 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.026 -2.276 19151 3578 1 5 . 1 1 97 97 TYR CB C 97 39.820 39.820 37.931 1.889 19151 3579 1 5 . 1 1 97 97 TYR H H 97 7.664 7.664 7.922 -0.258 19151 3580 1 5 . 1 1 98 98 VAL N N 98 116.952 116.952 116.791 0.161 19151 3581 1 5 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.662 0.398 19151 3582 1 5 . 1 1 98 98 VAL C C 98 175.969 175.969 175.314 0.655 19151 3583 1 5 . 1 1 98 98 VAL CA C 98 62.840 62.840 63.660 -0.820 19151 3584 1 5 . 1 1 98 98 VAL CB C 98 32.600 32.600 32.309 0.291 19151 3585 1 5 . 1 1 98 98 VAL H H 98 7.970 7.970 7.424 0.546 19151 3586 1 5 . 1 1 99 99 ASN N N 99 118.156 118.156 115.506 2.650 19151 3587 1 5 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.308 0.203 19151 3588 1 5 . 1 1 99 99 ASN C C 99 174.329 174.329 175.759 -1.430 19151 3589 1 5 . 1 1 99 99 ASN CA C 99 53.031 53.031 54.432 -1.401 19151 3590 1 5 . 1 1 99 99 ASN CB C 99 37.238 37.238 37.351 -0.113 19151 3591 1 5 . 1 1 99 99 ASN H H 99 8.296 8.296 8.622 -0.326 19151 3592 1 5 . 1 1 100 100 PHE N N 100 118.649 118.649 118.063 0.586 19151 3593 1 5 . 1 1 100 100 PHE HA H 100 4.415 4.415 3.969 0.446 19151 3594 1 5 . 1 1 100 100 PHE C C 100 174.400 174.400 174.857 -0.457 19151 3595 1 5 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.191 -3.001 19151 3596 1 5 . 1 1 100 100 PHE CB C 100 39.679 39.679 38.262 1.417 19151 3597 1 5 . 1 1 100 100 PHE H H 100 7.855 7.855 8.812 -0.957 19151 3598 1 5 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.303 -0.718 19151 3599 1 5 . 1 1 101 101 CYS CA C 101 62.740 62.740 56.241 6.499 19151 3600 1 5 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.137 -1.137 19151 3601 1 5 . 1 1 101 101 CYS H H 101 9.240 9.240 7.795 1.445 19151 3602 1 5 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.423 -0.203 19151 3603 1 5 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.997 0.203 19151 3604 1 5 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.339 0.261 19151 3605 1 5 . 1 1 102 102 ASN H H 102 8.300 8.300 8.792 -0.492 19151 3606 1 5 . 1 1 103 103 GLY C C 103 175.690 175.690 175.759 -0.069 19151 3607 1 5 . 1 1 103 103 GLY CA C 103 47.350 47.350 46.852 0.498 19151 3608 1 5 . 1 1 104 104 GLY N N 104 106.150 106.150 109.092 -2.942 19151 3609 1 5 . 1 1 104 104 GLY C C 104 174.570 174.570 176.142 -1.572 19151 3610 1 5 . 1 1 104 104 GLY CA C 104 47.350 47.350 45.857 1.493 19151 3611 1 5 . 1 1 104 104 GLY H H 104 7.108 7.108 7.763 -0.655 19151 3612 1 5 . 1 1 105 105 LYS N N 105 120.732 120.732 122.019 -1.287 19151 3613 1 5 . 1 1 105 105 LYS HA H 105 3.937 3.937 4.025 -0.088 19151 3614 1 5 . 1 1 105 105 LYS C C 105 179.706 179.706 178.900 0.806 19151 3615 1 5 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.547 0.761 19151 3616 1 5 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.202 -0.405 19151 3617 1 5 . 1 1 105 105 LYS H H 105 7.708 7.708 7.683 0.025 19151 3618 1 5 . 1 1 106 106 GLN N N 106 119.087 119.087 117.657 1.430 19151 3619 1 5 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.212 -0.070 19151 3620 1 5 . 1 1 106 106 GLN C C 106 179.418 179.418 178.417 1.001 19151 3621 1 5 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.429 0.446 19151 3622 1 5 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.336 0.423 19151 3623 1 5 . 1 1 106 106 GLN H H 106 8.738 8.738 8.440 0.298 19151 3624 1 5 . 1 1 107 107 PHE N N 107 123.088 123.088 119.649 3.439 19151 3625 1 5 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.312 -0.062 19151 3626 1 5 . 1 1 107 107 PHE C C 107 178.403 178.403 177.690 0.713 19151 3627 1 5 . 1 1 107 107 PHE CA C 107 62.185 62.185 62.050 0.135 19151 3628 1 5 . 1 1 107 107 PHE CB C 107 39.451 39.451 39.049 0.402 19151 3629 1 5 . 1 1 107 107 PHE H H 107 7.922 7.922 8.078 -0.156 19151 3630 1 5 . 1 1 108 108 ASP N N 108 117.118 117.118 120.582 -3.464 19151 3631 1 5 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.563 -0.189 19151 3632 1 5 . 1 1 108 108 ASP C C 108 176.973 176.973 178.014 -1.041 19151 3633 1 5 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.871 0.558 19151 3634 1 5 . 1 1 108 108 ASP CB C 108 44.123 44.123 40.980 3.143 19151 3635 1 5 . 1 1 108 108 ASP H H 108 8.305 8.305 7.894 0.411 19151 3636 1 5 . 1 1 109 109 ALA N N 109 118.590 118.590 122.376 -3.786 19151 3637 1 5 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.105 -0.055 19151 3638 1 5 . 1 1 109 109 ALA C C 109 180.430 180.430 179.731 0.699 19151 3639 1 5 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.013 0.183 19151 3640 1 5 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.384 -0.277 19151 3641 1 5 . 1 1 109 109 ALA H H 109 8.332 8.332 7.991 0.341 19151 3642 1 5 . 1 1 110 110 LEU N N 110 120.402 120.402 120.152 0.250 19151 3643 1 5 . 1 1 110 110 LEU HA H 110 4.085 4.085 4.046 0.039 19151 3644 1 5 . 1 1 110 110 LEU C C 110 177.801 177.801 179.007 -1.206 19151 3645 1 5 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.525 0.115 19151 3646 1 5 . 1 1 110 110 LEU CB C 110 41.756 41.756 41.014 0.743 19151 3647 1 5 . 1 1 110 110 LEU H H 110 7.868 7.868 7.702 0.166 19151 3648 1 5 . 1 1 111 111 LEU N N 111 116.945 116.945 117.305 -0.360 19151 3649 1 5 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.818 -0.100 19151 3650 1 5 . 1 1 111 111 LEU C C 111 179.838 179.838 179.456 0.382 19151 3651 1 5 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.770 0.195 19151 3652 1 5 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.398 -2.538 19151 3653 1 5 . 1 1 111 111 LEU H H 111 7.704 7.704 7.443 0.261 19151 3654 1 5 . 1 1 112 112 GLN N N 112 118.484 118.484 116.755 1.729 19151 3655 1 5 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.131 0.010 19151 3656 1 5 . 1 1 112 112 GLN C C 112 181.218 181.218 178.124 3.094 19151 3657 1 5 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.581 1.385 19151 3658 1 5 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.185 1.075 19151 3659 1 5 . 1 1 112 112 GLN H H 112 8.441 8.441 7.977 0.464 19151 3660 1 5 . 1 1 113 113 GLU N N 113 122.905 122.905 117.652 5.253 19151 3661 1 5 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.144 0.037 19151 3662 1 5 . 1 1 113 113 GLU C C 113 178.001 178.001 177.311 0.690 19151 3663 1 5 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.968 1.017 19151 3664 1 5 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.502 -0.232 19151 3665 1 5 . 1 1 113 113 GLU H H 113 8.305 8.305 7.909 0.396 19151 3666 1 5 . 1 1 114 114 GLN N N 114 117.332 117.332 118.672 -1.340 19151 3667 1 5 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.328 0.267 19151 3668 1 5 . 1 1 114 114 GLN C C 114 174.538 174.538 176.806 -2.268 19151 3669 1 5 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.187 -0.770 19151 3670 1 5 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.439 -4.609 19151 3671 1 5 . 1 1 114 114 GLN H H 114 7.520 7.520 7.508 0.012 19151 3672 1 5 . 1 1 115 115 SER N N 115 109.100 109.100 110.133 -1.033 19151 3673 1 5 . 1 1 115 115 SER HA H 115 4.200 4.200 4.465 -0.265 19151 3674 1 5 . 1 1 115 115 SER C C 115 172.302 172.302 173.124 -0.822 19151 3675 1 5 . 1 1 115 115 SER CA C 115 60.400 60.400 58.494 1.906 19151 3676 1 5 . 1 1 115 115 SER CB C 115 61.325 61.325 65.098 -3.773 19151 3677 1 5 . 1 1 115 115 SER H H 115 7.950 7.950 8.026 -0.076 19151 3678 1 5 . 1 1 116 116 ALA N N 116 121.059 121.059 124.870 -3.811 19151 3679 1 5 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.304 0.490 19151 3680 1 5 . 1 1 116 116 ALA C C 116 176.774 176.774 176.239 0.535 19151 3681 1 5 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.063 -0.373 19151 3682 1 5 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.395 0.970 19151 3683 1 5 . 1 1 116 116 ALA H H 116 7.813 7.813 7.936 -0.123 19151 3684 1 5 . 1 1 117 117 GLN N N 117 118.000 118.000 119.657 -1.657 19151 3685 1 5 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.582 0.036 19151 3686 1 5 . 1 1 117 117 GLN C C 117 173.769 173.769 175.047 -1.278 19151 3687 1 5 . 1 1 117 117 GLN CA C 117 54.556 54.556 55.093 -0.537 19151 3688 1 5 . 1 1 117 117 GLN CB C 117 30.735 30.735 30.545 0.190 19151 3689 1 5 . 1 1 117 117 GLN H H 117 8.591 8.591 8.317 0.274 19151 3690 1 5 . 1 1 118 118 ARG N N 118 127.947 127.947 120.067 7.880 19151 3691 1 5 . 1 1 118 118 ARG HA H 118 3.308 3.308 4.905 -1.597 19151 3692 1 5 . 1 1 118 118 ARG C C 118 176.758 176.758 175.088 1.670 19151 3693 1 5 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.397 1.789 19151 3694 1 5 . 1 1 118 118 ARG CB C 118 30.310 30.310 33.357 -3.047 19151 3695 1 5 . 1 1 118 118 ARG H H 118 8.659 8.659 8.494 0.165 19151 3696 1 5 . 1 1 119 119 VAL N N 119 131.939 131.939 121.028 10.911 19151 3697 1 5 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.335 -0.222 19151 3698 1 5 . 1 1 119 119 VAL C C 119 176.775 176.775 175.642 1.133 19151 3699 1 5 . 1 1 119 119 VAL CA C 119 62.174 62.174 60.518 1.656 19151 3700 1 5 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.657 -1.264 19151 3701 1 5 . 1 1 119 119 VAL H H 119 9.520 9.520 8.788 0.732 19151 3702 1 5 . 1 1 120 120 GLY N N 120 116.074 116.074 107.070 9.004 19151 3703 1 5 . 1 1 120 120 GLY C C 120 172.757 172.757 174.271 -1.514 19151 3704 1 5 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.006 -1.108 19151 3705 1 5 . 1 1 120 120 GLY H H 120 8.755 8.755 8.218 0.537 19151 3706 1 5 . 1 1 121 121 GLU N N 121 118.754 118.754 121.949 -3.195 19151 3707 1 5 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.218 0.448 19151 3708 1 5 . 1 1 121 121 GLU C C 121 177.419 177.419 177.173 0.246 19151 3709 1 5 . 1 1 121 121 GLU CA C 121 54.491 54.491 56.591 -2.100 19151 3710 1 5 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.476 1.022 19151 3711 1 5 . 1 1 121 121 GLU H H 121 8.594 8.594 8.544 0.050 19151 3712 1 5 . 1 1 122 122 MET N N 122 122.642 122.642 119.667 2.975 19151 3713 1 5 . 1 1 122 122 MET HA H 122 4.415 4.415 4.899 -0.484 19151 3714 1 5 . 1 1 122 122 MET C C 122 175.351 175.351 175.161 0.190 19151 3715 1 5 . 1 1 122 122 MET CA C 122 57.024 57.024 54.559 2.465 19151 3716 1 5 . 1 1 122 122 MET CB C 122 34.210 34.210 33.259 0.951 19151 3717 1 5 . 1 1 122 122 MET H H 122 8.892 8.892 8.455 0.437 19151 3718 1 5 . 1 1 123 123 LEU N N 123 129.535 129.535 122.045 7.490 19151 3719 1 5 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.371 -0.021 19151 3720 1 5 . 1 1 123 123 LEU C C 123 173.124 173.124 174.604 -1.480 19151 3721 1 5 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.252 0.487 19151 3722 1 5 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.529 -1.451 19151 3723 1 5 . 1 1 123 123 LEU H H 123 7.868 7.868 7.391 0.477 19151 3724 1 5 . 1 1 124 124 LEU N N 124 127.120 127.120 125.819 1.301 19151 3725 1 5 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.677 0.378 19151 3726 1 5 . 1 1 124 124 LEU C C 124 176.379 176.379 176.249 0.130 19151 3727 1 5 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.160 0.390 19151 3728 1 5 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.395 -1.017 19151 3729 1 5 . 1 1 124 124 LEU H H 124 8.346 8.346 8.211 0.135 19151 3730 1 5 . 1 1 125 125 ILE N N 125 124.337 124.337 125.236 -0.899 19151 3731 1 5 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.170 0.010 19151 3732 1 5 . 1 1 125 125 ILE C C 125 174.303 174.303 174.790 -0.487 19151 3733 1 5 . 1 1 125 125 ILE CA C 125 61.100 61.100 61.224 -0.124 19151 3734 1 5 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.257 -0.314 19151 3735 1 5 . 1 1 125 125 ILE H H 125 8.974 8.974 8.671 0.303 19151 3736 1 5 . 1 1 126 126 ASP N N 126 127.113 127.113 128.640 -1.527 19151 3737 1 5 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.557 -0.442 19151 3738 1 5 . 1 1 126 126 ASP C C 126 176.766 176.766 176.605 0.161 19151 3739 1 5 . 1 1 126 126 ASP CA C 126 51.847 51.847 51.916 -0.069 19151 3740 1 5 . 1 1 126 126 ASP CB C 126 41.100 41.100 41.840 -0.740 19151 3741 1 5 . 1 1 126 126 ASP H H 126 9.397 9.397 8.844 0.553 19151 3742 1 5 . 1 1 127 127 ALA N N 127 131.178 131.178 131.519 -0.341 19151 3743 1 5 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.524 -0.208 19151 3744 1 5 . 1 1 127 127 ALA C C 127 178.530 178.530 178.930 -0.400 19151 3745 1 5 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.007 -0.160 19151 3746 1 5 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.003 -0.211 19151 3747 1 5 . 1 1 127 127 ALA H H 127 9.696 9.696 9.018 0.678 19151 3748 1 5 . 1 1 128 128 SER N N 128 112.064 112.064 113.289 -1.225 19151 3749 1 5 . 1 1 128 128 SER HA H 128 4.224 4.224 4.219 0.005 19151 3750 1 5 . 1 1 128 128 SER C C 128 175.000 175.000 175.679 -0.679 19151 3751 1 5 . 1 1 128 128 SER CA C 128 61.246 61.246 60.490 0.756 19151 3752 1 5 . 1 1 128 128 SER CB C 128 63.310 63.310 63.435 -0.125 19151 3753 1 5 . 1 1 128 128 SER H H 128 8.373 8.373 8.348 0.025 19151 3754 1 5 . 1 1 129 129 GLU N N 129 119.468 119.468 118.091 1.377 19151 3755 1 5 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.398 0.002 19151 3756 1 5 . 1 1 129 129 GLU C C 129 175.947 175.947 175.995 -0.048 19151 3757 1 5 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.718 -0.303 19151 3758 1 5 . 1 1 129 129 GLU CB C 129 31.730 31.730 32.376 -0.646 19151 3759 1 5 . 1 1 129 129 GLU H H 129 7.267 7.267 7.617 -0.350 19151 3760 1 5 . 1 1 130 130 ASN N N 130 115.968 115.968 118.337 -2.369 19151 3761 1 5 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.122 0.044 19151 3762 1 5 . 1 1 130 130 ASN C C 130 172.000 172.000 174.107 -2.107 19151 3763 1 5 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.778 -0.555 19151 3764 1 5 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.973 -0.307 19151 3765 1 5 . 1 1 130 130 ASN H H 130 8.072 8.072 8.241 -0.169 19151 3766 1 5 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.478 0.072 19151 3767 1 5 . 1 1 131 131 PRO C C 131 176.400 176.400 176.158 0.242 19151 3768 1 5 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.851 -0.351 19151 3769 1 5 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.673 0.627 19151 3770 1 5 . 1 1 132 132 GLU N N 132 119.000 119.000 119.156 -0.156 19151 3771 1 5 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.808 0.212 19151 3772 1 5 . 1 1 132 132 GLU C C 132 174.200 174.200 175.197 -0.997 19151 3773 1 5 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.236 -0.236 19151 3774 1 5 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.437 0.263 19151 3775 1 5 . 1 1 132 132 GLU H H 132 7.690 7.690 8.046 -0.356 19151 3776 1 5 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.231 -0.231 19151 3777 1 5 . 1 1 133 133 PRO C C 133 177.391 177.391 178.199 -0.808 19151 3778 1 5 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.156 0.312 19151 3779 1 5 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.983 0.162 19151 3780 1 5 . 1 1 134 134 GLU N N 134 122.846 122.846 117.826 5.020 19151 3781 1 5 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.314 0.906 19151 3782 1 5 . 1 1 134 134 GLU C C 134 178.385 178.385 178.743 -0.358 19151 3783 1 5 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.086 -1.494 19151 3784 1 5 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.565 -1.975 19151 3785 1 5 . 1 1 134 134 GLU H H 134 10.707 10.707 8.827 1.880 19151 3786 1 5 . 1 1 135 135 THR N N 135 113.016 113.016 111.396 1.620 19151 3787 1 5 . 1 1 135 135 THR HA H 135 4.182 4.182 4.191 -0.009 19151 3788 1 5 . 1 1 135 135 THR C C 135 176.460 176.460 175.624 0.836 19151 3789 1 5 . 1 1 135 135 THR CA C 135 64.752 64.752 64.926 -0.174 19151 3790 1 5 . 1 1 135 135 THR CB C 135 69.248 69.248 68.899 0.349 19151 3791 1 5 . 1 1 135 135 THR H H 135 8.168 8.168 8.111 0.057 19151 3792 1 5 . 1 1 136 136 GLU N N 136 118.978 118.978 121.177 -2.199 19151 3793 1 5 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.493 0.071 19151 3794 1 5 . 1 1 136 136 GLU C C 136 178.370 178.370 178.458 -0.088 19151 3795 1 5 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.067 -1.154 19151 3796 1 5 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.717 1.383 19151 3797 1 5 . 1 1 136 136 GLU H H 136 7.680 7.680 7.763 -0.083 19151 3798 1 5 . 1 1 137 137 SER N N 137 116.501 116.501 115.865 0.636 19151 3799 1 5 . 1 1 137 137 SER HA H 137 4.033 4.033 4.282 -0.249 19151 3800 1 5 . 1 1 137 137 SER C C 137 175.670 175.670 176.647 -0.977 19151 3801 1 5 . 1 1 137 137 SER CA C 137 62.330 62.330 61.815 0.515 19151 3802 1 5 . 1 1 137 137 SER CB C 137 61.380 61.380 63.223 -1.843 19151 3803 1 5 . 1 1 137 137 SER H H 137 8.824 8.824 8.423 0.401 19151 3804 1 5 . 1 1 138 138 ASN N N 138 123.517 123.517 121.365 2.152 19151 3805 1 5 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.751 -0.160 19151 3806 1 5 . 1 1 138 138 ASN C C 138 175.700 175.700 175.449 0.251 19151 3807 1 5 . 1 1 138 138 ASN CA C 138 57.486 57.486 56.892 0.594 19151 3808 1 5 . 1 1 138 138 ASN CB C 138 34.253 34.253 35.983 -1.730 19151 3809 1 5 . 1 1 138 138 ASN H H 138 8.564 8.564 8.376 0.188 19151 3810 1 5 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.366 0.089 19151 3811 1 5 . 1 1 139 139 PRO C C 139 180.033 180.033 178.508 1.525 19151 3812 1 5 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.367 0.243 19151 3813 1 5 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.442 -0.906 19151 3814 1 5 . 1 1 140 140 TRP N N 140 119.700 119.700 121.618 -1.918 19151 3815 1 5 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.504 -0.171 19151 3816 1 5 . 1 1 140 140 TRP C C 140 179.195 179.195 178.076 1.119 19151 3817 1 5 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.571 0.609 19151 3818 1 5 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.685 1.066 19151 3819 1 5 . 1 1 140 140 TRP H H 140 7.057 7.057 7.481 -0.424 19151 3820 1 5 . 1 1 141 141 VAL N N 141 122.879 122.879 119.337 3.542 19151 3821 1 5 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.787 -0.051 19151 3822 1 5 . 1 1 141 141 VAL C C 141 177.416 177.416 178.838 -1.422 19151 3823 1 5 . 1 1 141 141 VAL CA C 141 66.716 66.716 66.853 -0.137 19151 3824 1 5 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.045 0.387 19151 3825 1 5 . 1 1 141 141 VAL H H 141 9.629 9.629 8.945 0.684 19151 3826 1 5 . 1 1 142 142 GLU N N 142 119.965 119.965 118.853 1.112 19151 3827 1 5 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.075 -0.343 19151 3828 1 5 . 1 1 142 142 GLU C C 142 178.800 178.800 177.999 0.801 19151 3829 1 5 . 1 1 142 142 GLU CA C 142 59.332 59.332 58.934 0.398 19151 3830 1 5 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.611 -0.051 19151 3831 1 5 . 1 1 142 142 GLU H H 142 8.551 8.551 8.226 0.325 19151 3832 1 5 . 1 1 143 143 HIS N N 143 115.364 115.364 118.940 -3.576 19151 3833 1 5 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.377 -0.087 19151 3834 1 5 . 1 1 143 143 HIS C C 143 177.840 177.840 176.624 1.216 19151 3835 1 5 . 1 1 143 143 HIS CA C 143 59.363 59.363 58.943 0.420 19151 3836 1 5 . 1 1 143 143 HIS CB C 143 29.362 29.362 30.733 -1.371 19151 3837 1 5 . 1 1 143 143 HIS H H 143 7.380 7.380 7.786 -0.406 19151 3838 1 5 . 1 1 144 144 TRP N N 144 126.680 126.680 122.240 4.440 19151 3839 1 5 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.812 -0.478 19151 3840 1 5 . 1 1 144 144 TRP C C 144 178.200 178.200 178.375 -0.175 19151 3841 1 5 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.655 2.305 19151 3842 1 5 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.280 0.245 19151 3843 1 5 . 1 1 144 144 TRP H H 144 9.215 9.215 8.682 0.533 19151 3844 1 5 . 1 1 145 145 GLY N N 145 100.130 100.130 105.453 -5.323 19151 3845 1 5 . 1 1 145 145 GLY C C 145 177.391 177.391 175.383 2.008 19151 3846 1 5 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.014 -0.254 19151 3847 1 5 . 1 1 145 145 GLY H H 145 8.834 8.834 8.553 0.281 19151 3848 1 5 . 1 1 146 146 THR N N 146 110.831 110.831 112.909 -2.078 19151 3849 1 5 . 1 1 146 146 THR HA H 146 4.319 4.319 4.038 0.281 19151 3850 1 5 . 1 1 146 146 THR C C 146 175.574 175.574 175.408 0.166 19151 3851 1 5 . 1 1 146 146 THR CA C 146 63.260 63.260 64.258 -0.998 19151 3852 1 5 . 1 1 146 146 THR CB C 146 69.660 69.660 68.574 1.086 19151 3853 1 5 . 1 1 146 146 THR H H 146 7.594 7.594 7.520 0.074 19151 3854 1 5 . 1 1 147 147 LEU N N 147 120.678 120.678 119.917 0.761 19151 3855 1 5 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.131 -0.073 19151 3856 1 5 . 1 1 147 147 LEU C C 147 177.176 177.176 176.253 0.923 19151 3857 1 5 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.333 -1.019 19151 3858 1 5 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.168 0.060 19151 3859 1 5 . 1 1 147 147 LEU H H 147 7.458 7.458 7.430 0.028 19151 3860 1 5 . 1 1 148 148 LEU N N 148 117.062 117.062 118.660 -1.598 19151 3861 1 5 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.841 -0.123 19151 3862 1 5 . 1 1 148 148 LEU C C 148 175.570 175.570 177.194 -1.624 19151 3863 1 5 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.390 -0.439 19151 3864 1 5 . 1 1 148 148 LEU CB C 148 39.600 39.600 40.776 -1.176 19151 3865 1 5 . 1 1 148 148 LEU H H 148 6.482 6.482 6.961 -0.479 19151 3866 1 6 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.724 -0.495 19151 3867 1 6 . 1 1 2 2 ALA C C 2 173.315 173.315 174.564 -1.249 19151 3868 1 6 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.678 -0.098 19151 3869 1 6 . 1 1 2 2 ALA CB C 2 20.223 20.223 22.799 -2.576 19151 3870 1 6 . 1 1 3 3 GLU N N 3 121.874 121.874 119.438 2.436 19151 3871 1 6 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.513 -0.239 19151 3872 1 6 . 1 1 3 3 GLU C C 3 174.545 174.545 175.501 -0.956 19151 3873 1 6 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.612 0.237 19151 3874 1 6 . 1 1 3 3 GLU CB C 3 31.720 31.720 31.715 0.005 19151 3875 1 6 . 1 1 3 3 GLU H H 3 8.696 8.696 8.501 0.195 19151 3876 1 6 . 1 1 4 4 ILE N N 4 120.672 120.672 125.242 -4.570 19151 3877 1 6 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.660 0.449 19151 3878 1 6 . 1 1 4 4 ILE C C 4 175.463 175.463 175.063 0.400 19151 3879 1 6 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.263 -0.430 19151 3880 1 6 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.105 3.565 19151 3881 1 6 . 1 1 4 4 ILE H H 4 8.860 8.860 9.108 -0.248 19151 3882 1 6 . 1 1 5 5 GLY N N 5 119.310 119.310 114.938 4.372 19151 3883 1 6 . 1 1 5 5 GLY C C 5 171.260 171.260 172.942 -1.682 19151 3884 1 6 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.601 0.219 19151 3885 1 6 . 1 1 5 5 GLY H H 5 8.469 8.469 8.242 0.227 19151 3886 1 6 . 1 1 6 6 ILE N N 6 126.915 126.915 126.399 0.516 19151 3887 1 6 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.049 0.141 19151 3888 1 6 . 1 1 6 6 ILE C C 6 173.901 173.901 174.469 -0.568 19151 3889 1 6 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.644 -0.644 19151 3890 1 6 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.672 -1.672 19151 3891 1 6 . 1 1 6 6 ILE H H 6 9.056 9.056 9.225 -0.169 19151 3892 1 6 . 1 1 7 7 PHE N N 7 127.354 127.354 127.826 -0.472 19151 3893 1 6 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.201 -0.689 19151 3894 1 6 . 1 1 7 7 PHE C C 7 174.230 174.230 174.490 -0.260 19151 3895 1 6 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.495 1.915 19151 3896 1 6 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.920 0.808 19151 3897 1 6 . 1 1 7 7 PHE H H 7 8.960 8.960 9.575 -0.615 19151 3898 1 6 . 1 1 8 8 VAL N N 8 127.270 127.270 125.517 1.753 19151 3899 1 6 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.069 -0.009 19151 3900 1 6 . 1 1 8 8 VAL C C 8 175.450 175.450 175.486 -0.036 19151 3901 1 6 . 1 1 8 8 VAL CA C 8 61.200 61.200 59.995 1.205 19151 3902 1 6 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.584 0.853 19151 3903 1 6 . 1 1 8 8 VAL H H 8 8.581 8.581 7.958 0.623 19151 3904 1 6 . 1 1 9 9 GLY N N 9 115.000 115.000 117.591 -2.591 19151 3905 1 6 . 1 1 9 9 GLY C C 9 173.150 173.150 172.547 0.603 19151 3906 1 6 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.498 0.502 19151 3907 1 6 . 1 1 9 9 GLY H H 9 9.393 9.393 9.052 0.341 19151 3908 1 6 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.205 0.490 19151 3909 1 6 . 1 1 12 12 TYR C C 12 176.560 176.560 176.935 -0.375 19151 3910 1 6 . 1 1 12 12 TYR CA C 12 57.750 57.750 59.508 -1.758 19151 3911 1 6 . 1 1 12 12 TYR CB C 12 38.000 38.000 39.082 -1.082 19151 3912 1 6 . 1 1 13 13 GLY N N 13 109.870 109.870 114.421 -4.551 19151 3913 1 6 . 1 1 13 13 GLY C C 13 175.930 175.930 174.126 1.804 19151 3914 1 6 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.673 1.327 19151 3915 1 6 . 1 1 13 13 GLY H H 13 8.500 8.500 7.973 0.527 19151 3916 1 6 . 1 1 17 17 LEU HA H 17 4.230 4.230 3.914 0.316 19151 3917 1 6 . 1 1 17 17 LEU C C 17 179.210 179.210 177.460 1.750 19151 3918 1 6 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.786 0.614 19151 3919 1 6 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.694 -0.395 19151 3920 1 6 . 1 1 18 18 VAL N N 18 117.231 117.231 117.568 -0.337 19151 3921 1 6 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.562 -0.239 19151 3922 1 6 . 1 1 18 18 VAL C C 18 178.460 178.460 177.786 0.674 19151 3923 1 6 . 1 1 18 18 VAL CA C 18 66.866 66.866 65.548 1.318 19151 3924 1 6 . 1 1 18 18 VAL CB C 18 31.460 31.460 31.308 0.152 19151 3925 1 6 . 1 1 18 18 VAL H H 18 7.645 7.645 7.737 -0.092 19151 3926 1 6 . 1 1 19 19 ALA N N 19 121.820 121.820 121.870 -0.050 19151 3927 1 6 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.915 -0.099 19151 3928 1 6 . 1 1 19 19 ALA C C 19 178.180 178.180 179.375 -1.195 19151 3929 1 6 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.600 -0.024 19151 3930 1 6 . 1 1 19 19 ALA CB C 19 20.000 20.000 17.925 2.075 19151 3931 1 6 . 1 1 19 19 ALA H H 19 8.010 8.010 8.011 -0.001 19151 3932 1 6 . 1 1 20 20 GLU N N 20 118.960 118.960 118.087 0.873 19151 3933 1 6 . 1 1 20 20 GLU HA H 20 4.016 4.016 3.984 0.032 19151 3934 1 6 . 1 1 20 20 GLU C C 20 180.950 180.950 179.437 1.513 19151 3935 1 6 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.333 0.333 19151 3936 1 6 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.341 -0.041 19151 3937 1 6 . 1 1 20 20 GLU H H 20 8.700 8.700 8.106 0.594 19151 3938 1 6 . 1 1 21 21 GLU N N 21 121.371 121.371 119.757 1.614 19151 3939 1 6 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.112 -0.068 19151 3940 1 6 . 1 1 21 21 GLU C C 21 179.419 179.419 178.871 0.548 19151 3941 1 6 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.202 0.109 19151 3942 1 6 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.323 0.238 19151 3943 1 6 . 1 1 21 21 GLU H H 21 8.632 8.632 7.840 0.792 19151 3944 1 6 . 1 1 22 22 ALA N N 22 121.329 121.329 122.917 -1.588 19151 3945 1 6 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.081 -0.023 19151 3946 1 6 . 1 1 22 22 ALA C C 22 178.823 178.823 179.376 -0.553 19151 3947 1 6 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.575 -0.899 19151 3948 1 6 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.171 -0.527 19151 3949 1 6 . 1 1 22 22 ALA H H 22 8.182 8.182 8.634 -0.452 19151 3950 1 6 . 1 1 23 23 GLU N N 23 119.035 119.035 119.222 -0.187 19151 3951 1 6 . 1 1 23 23 GLU HA H 23 3.404 3.404 3.982 -0.578 19151 3952 1 6 . 1 1 23 23 GLU C C 23 178.375 178.375 178.556 -0.181 19151 3953 1 6 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.724 0.584 19151 3954 1 6 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.617 -0.688 19151 3955 1 6 . 1 1 23 23 GLU H H 23 8.387 8.387 8.383 0.004 19151 3956 1 6 . 1 1 24 24 ALA N N 24 122.207 122.207 121.848 0.359 19151 3957 1 6 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.107 -0.077 19151 3958 1 6 . 1 1 24 24 ALA C C 24 181.132 181.132 179.857 1.275 19151 3959 1 6 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.103 0.384 19151 3960 1 6 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.657 -0.657 19151 3961 1 6 . 1 1 24 24 ALA H H 24 7.535 7.535 7.626 -0.091 19151 3962 1 6 . 1 1 25 25 ILE N N 25 121.059 121.059 120.172 0.887 19151 3963 1 6 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.715 -0.051 19151 3964 1 6 . 1 1 25 25 ILE C C 25 178.419 178.419 177.938 0.481 19151 3965 1 6 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.013 -0.905 19151 3966 1 6 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.117 0.846 19151 3967 1 6 . 1 1 25 25 ILE H H 25 7.800 7.800 8.574 -0.774 19151 3968 1 6 . 1 1 26 26 LEU N N 26 119.307 119.307 120.527 -1.220 19151 3969 1 6 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.133 0.043 19151 3970 1 6 . 1 1 26 26 LEU C C 26 179.863 179.863 179.589 0.274 19151 3971 1 6 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.387 -0.441 19151 3972 1 6 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.235 -0.095 19151 3973 1 6 . 1 1 26 26 LEU H H 26 8.509 8.509 8.637 -0.128 19151 3974 1 6 . 1 1 27 27 THR N N 27 117.830 117.830 115.826 2.004 19151 3975 1 6 . 1 1 27 27 THR HA H 27 4.524 4.524 4.306 0.218 19151 3976 1 6 . 1 1 27 27 THR C C 27 179.027 179.027 176.401 2.626 19151 3977 1 6 . 1 1 27 27 THR CA C 27 66.000 66.000 66.453 -0.453 19151 3978 1 6 . 1 1 27 27 THR CB C 27 68.600 68.600 68.891 -0.291 19151 3979 1 6 . 1 1 27 27 THR H H 27 8.796 8.796 8.340 0.456 19151 3980 1 6 . 1 1 28 28 ALA N N 28 126.313 126.313 122.248 4.065 19151 3981 1 6 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.150 0.055 19151 3982 1 6 . 1 1 28 28 ALA C C 28 179.360 179.360 179.407 -0.047 19151 3983 1 6 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.173 0.827 19151 3984 1 6 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.288 -0.638 19151 3985 1 6 . 1 1 28 28 ALA H H 28 7.832 7.832 7.824 0.008 19151 3986 1 6 . 1 1 29 29 GLN N N 29 115.527 115.527 115.794 -0.267 19151 3987 1 6 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.155 -0.028 19151 3988 1 6 . 1 1 29 29 GLN C C 29 176.547 176.547 176.581 -0.034 19151 3989 1 6 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.938 -0.375 19151 3990 1 6 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.736 -0.326 19151 3991 1 6 . 1 1 29 29 GLN H H 29 7.353 7.353 8.342 -0.989 19151 3992 1 6 . 1 1 30 30 GLY N N 30 105.961 105.961 105.537 0.424 19151 3993 1 6 . 1 1 30 30 GLY C C 30 174.785 174.785 173.277 1.508 19151 3994 1 6 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.544 -0.044 19151 3995 1 6 . 1 1 30 30 GLY H H 30 7.923 7.923 7.288 0.635 19151 3996 1 6 . 1 1 31 31 HIS N N 31 119.471 119.471 117.485 1.986 19151 3997 1 6 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.973 -0.138 19151 3998 1 6 . 1 1 31 31 HIS C C 31 174.665 174.665 173.334 1.331 19151 3999 1 6 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.525 1.317 19151 4000 1 6 . 1 1 31 31 HIS CB C 31 32.000 32.000 32.619 -0.619 19151 4001 1 6 . 1 1 31 31 HIS H H 31 7.558 7.558 8.060 -0.502 19151 4002 1 6 . 1 1 32 32 LYS N N 32 121.854 121.854 121.397 0.457 19151 4003 1 6 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.591 0.132 19151 4004 1 6 . 1 1 32 32 LYS C C 32 174.466 174.466 174.482 -0.016 19151 4005 1 6 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.766 0.099 19151 4006 1 6 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.341 0.619 19151 4007 1 6 . 1 1 32 32 LYS H H 32 8.665 8.665 8.967 -0.302 19151 4008 1 6 . 1 1 33 33 ALA N N 33 130.188 130.188 129.718 0.470 19151 4009 1 6 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.691 0.127 19151 4010 1 6 . 1 1 33 33 ALA C C 33 175.567 175.567 176.657 -1.090 19151 4011 1 6 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.355 -0.379 19151 4012 1 6 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.581 0.716 19151 4013 1 6 . 1 1 33 33 ALA H H 33 8.837 8.837 7.973 0.864 19151 4014 1 6 . 1 1 34 34 THR N N 34 117.164 117.164 117.284 -0.120 19151 4015 1 6 . 1 1 34 34 THR HA H 34 4.359 4.359 4.711 -0.352 19151 4016 1 6 . 1 1 34 34 THR C C 34 171.315 171.315 173.194 -1.879 19151 4017 1 6 . 1 1 34 34 THR CA C 34 61.840 61.840 61.491 0.349 19151 4018 1 6 . 1 1 34 34 THR CB C 34 71.800 71.800 72.500 -0.700 19151 4019 1 6 . 1 1 34 34 THR H H 34 7.826 7.826 8.753 -0.927 19151 4020 1 6 . 1 1 35 35 VAL N N 35 126.650 126.650 124.193 2.457 19151 4021 1 6 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.365 -0.182 19151 4022 1 6 . 1 1 35 35 VAL C C 35 174.675 174.675 175.488 -0.813 19151 4023 1 6 . 1 1 35 35 VAL CA C 35 61.928 61.928 62.019 -0.091 19151 4024 1 6 . 1 1 35 35 VAL CB C 35 32.650 32.650 31.922 0.728 19151 4025 1 6 . 1 1 35 35 VAL H H 35 8.496 8.496 8.796 -0.300 19151 4026 1 6 . 1 1 36 36 PHE N N 36 127.630 127.630 126.685 0.945 19151 4027 1 6 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.667 -0.116 19151 4028 1 6 . 1 1 36 36 PHE C C 36 174.347 174.347 174.368 -0.021 19151 4029 1 6 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.464 1.018 19151 4030 1 6 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.213 -0.048 19151 4031 1 6 . 1 1 36 36 PHE H H 36 9.164 9.164 9.219 -0.055 19151 4032 1 6 . 1 1 37 37 GLU N N 37 123.516 123.516 124.145 -0.629 19151 4033 1 6 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.388 0.082 19151 4034 1 6 . 1 1 37 37 GLU C C 37 175.954 175.954 176.307 -0.353 19151 4035 1 6 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.238 -0.519 19151 4036 1 6 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.674 0.786 19151 4037 1 6 . 1 1 37 37 GLU H H 37 8.455 8.455 8.669 -0.214 19151 4038 1 6 . 1 1 38 38 ASP N N 38 120.395 120.395 121.787 -1.392 19151 4039 1 6 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.486 0.347 19151 4040 1 6 . 1 1 38 38 ASP C C 38 173.920 173.920 174.718 -0.798 19151 4041 1 6 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.085 0.392 19151 4042 1 6 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.485 0.119 19151 4043 1 6 . 1 1 38 38 ASP H H 38 9.602 9.602 8.712 0.890 19151 4044 1 6 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.410 0.270 19151 4045 1 6 . 1 1 39 39 PRO C C 39 176.274 176.274 176.226 0.048 19151 4046 1 6 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.974 -0.990 19151 4047 1 6 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.887 1.513 19151 4048 1 6 . 1 1 40 40 GLU N N 40 119.026 119.026 122.458 -3.432 19151 4049 1 6 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.526 0.202 19151 4050 1 6 . 1 1 40 40 GLU C C 40 177.827 177.827 177.421 0.406 19151 4051 1 6 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.050 -1.080 19151 4052 1 6 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.265 2.135 19151 4053 1 6 . 1 1 40 40 GLU H H 40 9.178 9.178 8.634 0.544 19151 4054 1 6 . 1 1 41 41 LEU N N 41 123.708 123.708 124.769 -1.061 19151 4055 1 6 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.196 -0.302 19151 4056 1 6 . 1 1 41 41 LEU C C 41 178.730 178.730 178.167 0.563 19151 4057 1 6 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.954 0.453 19151 4058 1 6 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.904 -0.251 19151 4059 1 6 . 1 1 41 41 LEU H H 41 9.160 9.160 8.862 0.298 19151 4060 1 6 . 1 1 42 42 SER N N 42 110.500 110.500 113.669 -3.169 19151 4061 1 6 . 1 1 42 42 SER HA H 42 4.010 4.010 4.233 -0.223 19151 4062 1 6 . 1 1 42 42 SER C C 42 176.300 176.300 175.039 1.261 19151 4063 1 6 . 1 1 42 42 SER CA C 42 61.600 61.600 60.858 0.741 19151 4064 1 6 . 1 1 42 42 SER CB C 42 62.140 62.140 62.821 -0.681 19151 4065 1 6 . 1 1 42 42 SER H H 42 8.415 8.415 8.486 -0.071 19151 4066 1 6 . 1 1 43 43 ASP N N 43 119.770 119.770 120.952 -1.182 19151 4067 1 6 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.702 -0.245 19151 4068 1 6 . 1 1 43 43 ASP C C 43 176.150 176.150 176.446 -0.296 19151 4069 1 6 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.435 1.315 19151 4070 1 6 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.038 1.662 19151 4071 1 6 . 1 1 43 43 ASP H H 43 7.690 7.690 7.832 -0.142 19151 4072 1 6 . 1 1 44 44 TRP N N 44 118.500 118.500 121.214 -2.714 19151 4073 1 6 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.424 -0.214 19151 4074 1 6 . 1 1 44 44 TRP C C 44 177.150 177.150 177.636 -0.486 19151 4075 1 6 . 1 1 44 44 TRP CA C 44 59.387 59.387 59.131 0.256 19151 4076 1 6 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.407 -0.097 19151 4077 1 6 . 1 1 44 44 TRP H H 44 7.464 7.464 7.577 -0.113 19151 4078 1 6 . 1 1 45 45 LEU N N 45 114.100 114.100 120.583 -6.483 19151 4079 1 6 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.046 0.129 19151 4080 1 6 . 1 1 45 45 LEU C C 45 176.300 176.300 175.805 0.495 19151 4081 1 6 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.149 -0.589 19151 4082 1 6 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.329 -0.109 19151 4083 1 6 . 1 1 45 45 LEU H H 45 7.550 7.550 8.403 -0.853 19151 4084 1 6 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.142 0.238 19151 4085 1 6 . 1 1 46 46 PRO C C 46 176.799 176.799 177.053 -0.254 19151 4086 1 6 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.836 0.451 19151 4087 1 6 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.274 0.326 19151 4088 1 6 . 1 1 47 47 TYR N N 47 113.790 113.790 113.843 -0.053 19151 4089 1 6 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.662 -0.542 19151 4090 1 6 . 1 1 47 47 TYR C C 47 175.730 175.730 177.138 -1.408 19151 4091 1 6 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.259 1.941 19151 4092 1 6 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.840 0.176 19151 4093 1 6 . 1 1 47 47 TYR H H 47 8.291 8.291 8.001 0.290 19151 4094 1 6 . 1 1 48 48 GLN N N 48 116.524 116.524 120.344 -3.820 19151 4095 1 6 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.925 -0.040 19151 4096 1 6 . 1 1 48 48 GLN C C 48 174.381 174.381 175.730 -1.349 19151 4097 1 6 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.867 -0.042 19151 4098 1 6 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.919 2.081 19151 4099 1 6 . 1 1 48 48 GLN H H 48 7.300 7.300 7.561 -0.261 19151 4100 1 6 . 1 1 49 49 ASP N N 49 114.657 114.657 111.693 2.964 19151 4101 1 6 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.740 -0.053 19151 4102 1 6 . 1 1 49 49 ASP C C 49 176.307 176.307 175.731 0.576 19151 4103 1 6 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.443 -1.708 19151 4104 1 6 . 1 1 49 49 ASP CB C 49 40.200 40.200 40.522 -0.322 19151 4105 1 6 . 1 1 49 49 ASP H H 49 7.854 7.854 8.374 -0.520 19151 4106 1 6 . 1 1 50 50 LYS N N 50 123.514 123.514 119.106 4.408 19151 4107 1 6 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.571 0.019 19151 4108 1 6 . 1 1 50 50 LYS C C 50 172.964 172.964 174.885 -1.921 19151 4109 1 6 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.279 -0.586 19151 4110 1 6 . 1 1 50 50 LYS CB C 50 33.500 33.500 36.081 -2.581 19151 4111 1 6 . 1 1 50 50 LYS H H 50 7.833 7.833 7.622 0.211 19151 4112 1 6 . 1 1 51 51 TYR N N 51 118.375 118.375 115.967 2.408 19151 4113 1 6 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.758 0.297 19151 4114 1 6 . 1 1 51 51 TYR C C 51 175.875 175.875 176.131 -0.256 19151 4115 1 6 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.468 0.953 19151 4116 1 6 . 1 1 51 51 TYR CB C 51 42.477 42.477 40.712 1.765 19151 4117 1 6 . 1 1 51 51 TYR H H 51 7.745 7.745 8.006 -0.261 19151 4118 1 6 . 1 1 52 52 VAL N N 52 112.527 112.527 115.361 -2.834 19151 4119 1 6 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.973 0.527 19151 4120 1 6 . 1 1 52 52 VAL C C 52 173.910 173.910 174.199 -0.289 19151 4121 1 6 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.841 -2.145 19151 4122 1 6 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.263 1.229 19151 4123 1 6 . 1 1 52 52 VAL H H 52 8.673 8.673 8.415 0.258 19151 4124 1 6 . 1 1 53 53 LEU N N 53 124.294 124.294 123.920 0.374 19151 4125 1 6 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.195 -0.295 19151 4126 1 6 . 1 1 53 53 LEU C C 53 175.070 175.070 174.603 0.467 19151 4127 1 6 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.738 -1.172 19151 4128 1 6 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.436 -1.206 19151 4129 1 6 . 1 1 53 53 LEU H H 53 9.137 9.137 9.211 -0.074 19151 4130 1 6 . 1 1 54 54 VAL N N 54 127.850 127.850 127.333 0.517 19151 4131 1 6 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.618 -0.108 19151 4132 1 6 . 1 1 54 54 VAL C C 54 174.030 174.030 174.431 -0.401 19151 4133 1 6 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.535 0.290 19151 4134 1 6 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.300 -0.609 19151 4135 1 6 . 1 1 54 54 VAL H H 54 8.619 8.619 8.978 -0.359 19151 4136 1 6 . 1 1 55 55 VAL N N 55 127.181 127.181 128.459 -1.278 19151 4137 1 6 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.828 0.257 19151 4138 1 6 . 1 1 55 55 VAL C C 55 174.942 174.942 174.516 0.426 19151 4139 1 6 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.729 -0.660 19151 4140 1 6 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.468 -0.246 19151 4141 1 6 . 1 1 55 55 VAL H H 55 8.578 8.578 8.621 -0.043 19151 4142 1 6 . 1 1 56 56 THR N N 56 117.420 117.420 122.838 -5.418 19151 4143 1 6 . 1 1 56 56 THR HA H 56 5.590 5.590 5.076 0.514 19151 4144 1 6 . 1 1 56 56 THR C C 56 172.640 172.640 172.526 0.114 19151 4145 1 6 . 1 1 56 56 THR CA C 56 59.359 59.359 60.922 -1.563 19151 4146 1 6 . 1 1 56 56 THR CB C 56 70.715 70.715 70.661 0.054 19151 4147 1 6 . 1 1 56 56 THR H H 56 8.710 8.710 8.905 -0.195 19151 4148 1 6 . 1 1 57 57 SER HA H 57 5.250 5.250 4.955 0.295 19151 4149 1 6 . 1 1 57 57 SER CA C 57 57.730 57.730 56.711 1.019 19151 4150 1 6 . 1 1 57 57 SER CB C 57 64.500 64.500 64.102 0.398 19151 4151 1 6 . 1 1 57 57 SER H H 57 8.075 8.075 8.254 -0.179 19151 4152 1 6 . 1 1 58 58 THR H H 58 7.900 7.900 8.571 -0.671 19151 4153 1 6 . 1 1 59 59 THR HA H 59 4.900 4.900 4.098 0.802 19151 4154 1 6 . 1 1 59 59 THR CA C 59 61.200 61.200 66.436 -5.236 19151 4155 1 6 . 1 1 59 59 THR CB C 59 73.400 73.400 69.120 4.280 19151 4156 1 6 . 1 1 59 59 THR H H 59 9.230 9.230 7.470 1.760 19151 4157 1 6 . 1 1 60 60 GLY CA C 60 46.500 46.500 46.071 0.429 19151 4158 1 6 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.071 0.335 19151 4159 1 6 . 1 1 61 61 GLN C C 61 175.950 175.950 176.561 -0.611 19151 4160 1 6 . 1 1 61 61 GLN CA C 61 55.350 55.350 57.171 -1.821 19151 4161 1 6 . 1 1 61 61 GLN CB C 61 29.160 29.160 28.708 0.452 19151 4162 1 6 . 1 1 62 62 GLY N N 62 108.420 108.420 105.690 2.730 19151 4163 1 6 . 1 1 62 62 GLY C C 62 173.134 173.134 173.431 -0.297 19151 4164 1 6 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.488 1.296 19151 4165 1 6 . 1 1 62 62 GLY H H 62 8.073 8.073 8.025 0.048 19151 4166 1 6 . 1 1 63 63 ASP N N 63 118.400 118.400 119.938 -1.538 19151 4167 1 6 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.776 0.004 19151 4168 1 6 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.748 0.548 19151 4169 1 6 . 1 1 63 63 ASP CB C 63 42.740 42.740 42.539 0.201 19151 4170 1 6 . 1 1 63 63 ASP H H 63 7.248 7.248 7.685 -0.437 19151 4171 1 6 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.530 -0.130 19151 4172 1 6 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.873 1.277 19151 4173 1 6 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.745 -1.058 19151 4174 1 6 . 1 1 64 64 LEU H H 64 8.445 8.445 8.034 0.411 19151 4175 1 6 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.609 -0.316 19151 4176 1 6 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.120 0.224 19151 4177 1 6 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.648 -0.168 19151 4178 1 6 . 1 1 66 66 ASP N N 66 121.200 121.200 120.583 0.617 19151 4179 1 6 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.377 -0.117 19151 4180 1 6 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.211 1.419 19151 4181 1 6 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.523 0.278 19151 4182 1 6 . 1 1 66 66 ASP H H 66 8.605 8.605 8.676 -0.071 19151 4183 1 6 . 1 1 67 67 SER HA H 67 4.292 4.292 4.412 -0.120 19151 4184 1 6 . 1 1 67 67 SER C C 67 175.650 175.650 175.213 0.437 19151 4185 1 6 . 1 1 67 67 SER CA C 67 60.500 60.500 60.259 0.241 19151 4186 1 6 . 1 1 67 67 SER CB C 67 63.530 63.530 63.885 -0.355 19151 4187 1 6 . 1 1 68 68 ILE N N 68 120.550 120.550 120.276 0.274 19151 4188 1 6 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.501 0.609 19151 4189 1 6 . 1 1 68 68 ILE C C 68 174.713 174.713 176.395 -1.682 19151 4190 1 6 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.750 -0.350 19151 4191 1 6 . 1 1 68 68 ILE CB C 68 43.240 43.240 40.174 3.066 19151 4192 1 6 . 1 1 68 68 ILE H H 68 7.870 7.870 7.651 0.219 19151 4193 1 6 . 1 1 69 69 VAL N N 69 125.740 125.740 123.441 2.299 19151 4194 1 6 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.778 -0.033 19151 4195 1 6 . 1 1 69 69 VAL C C 69 174.500 174.500 175.103 -0.603 19151 4196 1 6 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.281 -0.731 19151 4197 1 6 . 1 1 69 69 VAL CB C 69 30.130 30.130 28.856 1.274 19151 4198 1 6 . 1 1 69 69 VAL H H 69 7.428 7.428 8.358 -0.930 19151 4199 1 6 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.343 -0.051 19151 4200 1 6 . 1 1 70 70 PRO C C 70 180.820 180.820 179.132 1.688 19151 4201 1 6 . 1 1 70 70 PRO CA C 70 66.470 66.470 65.883 0.587 19151 4202 1 6 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.260 -0.603 19151 4203 1 6 . 1 1 71 71 LEU N N 71 119.467 119.467 120.750 -1.283 19151 4204 1 6 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.004 -0.159 19151 4205 1 6 . 1 1 71 71 LEU C C 71 176.489 176.489 178.363 -1.874 19151 4206 1 6 . 1 1 71 71 LEU CA C 71 58.207 58.207 58.032 0.175 19151 4207 1 6 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.634 -0.148 19151 4208 1 6 . 1 1 71 71 LEU H H 71 7.918 7.918 7.687 0.231 19151 4209 1 6 . 1 1 72 72 PHE N N 72 119.361 119.361 119.318 0.043 19151 4210 1 6 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.249 -0.104 19151 4211 1 6 . 1 1 72 72 PHE C C 72 175.968 175.968 177.118 -1.150 19151 4212 1 6 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.631 0.190 19151 4213 1 6 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.628 0.919 19151 4214 1 6 . 1 1 72 72 PHE H H 72 7.903 7.903 8.652 -0.749 19151 4215 1 6 . 1 1 73 73 GLN N N 73 116.100 116.100 116.919 -0.819 19151 4216 1 6 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.632 -0.105 19151 4217 1 6 . 1 1 73 73 GLN C C 73 177.871 177.871 178.495 -0.624 19151 4218 1 6 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.678 -0.538 19151 4219 1 6 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.505 -0.358 19151 4220 1 6 . 1 1 73 73 GLN H H 73 9.042 9.042 8.615 0.427 19151 4221 1 6 . 1 1 74 74 GLY N N 74 107.110 107.110 108.577 -1.467 19151 4222 1 6 . 1 1 74 74 GLY C C 74 175.894 175.894 176.060 -0.166 19151 4223 1 6 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.793 0.487 19151 4224 1 6 . 1 1 74 74 GLY H H 74 8.045 8.045 8.004 0.041 19151 4225 1 6 . 1 1 75 75 ILE N N 75 123.629 123.629 122.895 0.734 19151 4226 1 6 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.349 -0.299 19151 4227 1 6 . 1 1 75 75 ILE C C 75 178.622 178.622 177.088 1.534 19151 4228 1 6 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.870 0.388 19151 4229 1 6 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.429 0.539 19151 4230 1 6 . 1 1 75 75 ILE H H 75 8.174 8.174 8.115 0.059 19151 4231 1 6 . 1 1 76 76 LYS N N 76 119.363 119.363 118.291 1.072 19151 4232 1 6 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.780 -0.475 19151 4233 1 6 . 1 1 76 76 LYS C C 76 177.909 177.909 178.250 -0.341 19151 4234 1 6 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.223 0.482 19151 4235 1 6 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.910 0.440 19151 4236 1 6 . 1 1 76 76 LYS H H 76 7.600 7.600 7.378 0.222 19151 4237 1 6 . 1 1 77 77 ASP N N 77 115.190 115.190 118.005 -2.815 19151 4238 1 6 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.632 -0.150 19151 4239 1 6 . 1 1 77 77 ASP C C 77 178.825 178.825 177.872 0.953 19151 4240 1 6 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.670 0.610 19151 4241 1 6 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.809 -0.619 19151 4242 1 6 . 1 1 77 77 ASP H H 77 8.482 8.482 8.159 0.323 19151 4243 1 6 . 1 1 78 78 SER N N 78 112.576 112.576 115.527 -2.951 19151 4244 1 6 . 1 1 78 78 SER HA H 78 4.728 4.728 4.409 0.319 19151 4245 1 6 . 1 1 78 78 SER C C 78 174.556 174.556 174.915 -0.359 19151 4246 1 6 . 1 1 78 78 SER CA C 78 60.045 60.045 59.603 0.442 19151 4247 1 6 . 1 1 78 78 SER CB C 78 64.643 64.643 64.113 0.530 19151 4248 1 6 . 1 1 78 78 SER H H 78 8.273 8.273 7.923 0.350 19151 4249 1 6 . 1 1 79 79 LEU N N 79 120.833 120.833 120.894 -0.061 19151 4250 1 6 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.425 0.390 19151 4251 1 6 . 1 1 79 79 LEU C C 79 176.251 176.251 178.777 -2.526 19151 4252 1 6 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.302 -2.342 19151 4253 1 6 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.380 -3.184 19151 4254 1 6 . 1 1 79 79 LEU H H 79 7.025 7.025 7.495 -0.470 19151 4255 1 6 . 1 1 80 80 GLY N N 80 108.861 108.861 107.003 1.858 19151 4256 1 6 . 1 1 80 80 GLY C C 80 173.623 173.623 173.585 0.038 19151 4257 1 6 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.490 -0.261 19151 4258 1 6 . 1 1 80 80 GLY H H 80 7.499 7.499 8.127 -0.628 19151 4259 1 6 . 1 1 81 81 PHE N N 81 121.441 121.441 119.900 1.541 19151 4260 1 6 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.664 0.396 19151 4261 1 6 . 1 1 81 81 PHE C C 81 174.411 174.411 172.480 1.931 19151 4262 1 6 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.304 -0.093 19151 4263 1 6 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.723 -1.103 19151 4264 1 6 . 1 1 81 81 PHE H H 81 8.018 8.018 7.520 0.498 19151 4265 1 6 . 1 1 82 82 GLN N N 82 126.480 126.480 122.251 4.229 19151 4266 1 6 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.771 0.119 19151 4267 1 6 . 1 1 82 82 GLN C C 82 172.700 172.700 173.869 -1.169 19151 4268 1 6 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.374 1.803 19151 4269 1 6 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.790 1.810 19151 4270 1 6 . 1 1 82 82 GLN H H 82 9.588 9.588 7.370 2.218 19151 4271 1 6 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.407 -0.034 19151 4272 1 6 . 1 1 83 83 PRO C C 83 178.163 178.163 176.752 1.411 19151 4273 1 6 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.408 -0.717 19151 4274 1 6 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.628 -0.763 19151 4275 1 6 . 1 1 84 84 ASN N N 84 116.900 116.900 115.619 1.281 19151 4276 1 6 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.822 -0.053 19151 4277 1 6 . 1 1 84 84 ASN C C 84 173.332 173.332 173.740 -0.408 19151 4278 1 6 . 1 1 84 84 ASN CA C 84 52.560 52.560 53.168 -0.608 19151 4279 1 6 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.135 -0.875 19151 4280 1 6 . 1 1 84 84 ASN H H 84 8.578 8.578 7.957 0.621 19151 4281 1 6 . 1 1 85 85 LEU N N 85 124.380 124.380 122.317 2.063 19151 4282 1 6 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.384 -0.338 19151 4283 1 6 . 1 1 85 85 LEU C C 85 175.880 175.880 175.711 0.169 19151 4284 1 6 . 1 1 85 85 LEU CA C 85 55.842 55.842 55.046 0.796 19151 4285 1 6 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.095 -0.795 19151 4286 1 6 . 1 1 85 85 LEU H H 85 7.240 7.240 7.630 -0.390 19151 4287 1 6 . 1 1 86 86 ARG N N 86 128.715 128.715 124.225 4.490 19151 4288 1 6 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.005 0.789 19151 4289 1 6 . 1 1 86 86 ARG C C 86 175.554 175.554 174.269 1.285 19151 4290 1 6 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.518 -0.076 19151 4291 1 6 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.564 -1.691 19151 4292 1 6 . 1 1 86 86 ARG H H 86 7.732 7.732 8.294 -0.562 19151 4293 1 6 . 1 1 87 87 TYR N N 87 117.420 117.420 119.969 -2.549 19151 4294 1 6 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.602 1.163 19151 4295 1 6 . 1 1 87 87 TYR C C 87 172.931 172.931 173.203 -0.272 19151 4296 1 6 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.370 -1.109 19151 4297 1 6 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.908 3.030 19151 4298 1 6 . 1 1 87 87 TYR H H 87 8.783 8.783 8.134 0.649 19151 4299 1 6 . 1 1 88 88 GLY N N 88 107.765 107.765 106.151 1.614 19151 4300 1 6 . 1 1 88 88 GLY C C 88 172.621 172.621 171.093 1.528 19151 4301 1 6 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.676 1.185 19151 4302 1 6 . 1 1 88 88 GLY H H 88 8.905 8.905 8.619 0.286 19151 4303 1 6 . 1 1 89 89 VAL N N 89 118.180 118.180 118.596 -0.416 19151 4304 1 6 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.647 0.354 19151 4305 1 6 . 1 1 89 89 VAL C C 89 172.939 172.939 173.886 -0.947 19151 4306 1 6 . 1 1 89 89 VAL CA C 89 60.999 60.999 61.536 -0.537 19151 4307 1 6 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.851 0.547 19151 4308 1 6 . 1 1 89 89 VAL H H 89 7.499 7.499 8.198 -0.699 19151 4309 1 6 . 1 1 90 90 ILE N N 90 125.000 125.000 126.533 -1.533 19151 4310 1 6 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.057 0.070 19151 4311 1 6 . 1 1 90 90 ILE C C 90 173.099 173.099 173.724 -0.625 19151 4312 1 6 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.848 0.640 19151 4313 1 6 . 1 1 90 90 ILE CB C 90 40.398 40.398 39.654 0.744 19151 4314 1 6 . 1 1 90 90 ILE H H 90 8.810 8.810 8.944 -0.134 19151 4315 1 6 . 1 1 91 91 ALA N N 91 129.036 129.036 129.789 -0.753 19151 4316 1 6 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.331 -0.005 19151 4317 1 6 . 1 1 91 91 ALA C C 91 174.000 174.000 175.772 -1.772 19151 4318 1 6 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.779 -0.779 19151 4319 1 6 . 1 1 91 91 ALA CB C 91 22.100 22.100 20.931 1.169 19151 4320 1 6 . 1 1 91 91 ALA H H 91 9.253 9.253 8.826 0.427 19151 4321 1 6 . 1 1 92 92 LEU HA H 92 4.931 4.931 4.989 -0.058 19151 4322 1 6 . 1 1 92 92 LEU C C 92 177.366 177.366 176.125 1.241 19151 4323 1 6 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.248 0.669 19151 4324 1 6 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.163 -2.763 19151 4325 1 6 . 1 1 93 93 GLY N N 93 110.663 110.663 107.276 3.387 19151 4326 1 6 . 1 1 93 93 GLY C C 93 172.029 172.029 172.090 -0.061 19151 4327 1 6 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.590 0.140 19151 4328 1 6 . 1 1 93 93 GLY H H 93 8.687 8.687 8.907 -0.220 19151 4329 1 6 . 1 1 94 94 ASP N N 94 119.304 119.304 119.365 -0.061 19151 4330 1 6 . 1 1 94 94 ASP HA H 94 5.260 5.260 4.742 0.518 19151 4331 1 6 . 1 1 94 94 ASP C C 94 176.978 176.978 177.478 -0.500 19151 4332 1 6 . 1 1 94 94 ASP CA C 94 53.607 53.607 53.958 -0.351 19151 4333 1 6 . 1 1 94 94 ASP CB C 94 43.000 43.000 40.347 2.653 19151 4334 1 6 . 1 1 94 94 ASP H H 94 8.129 8.129 8.550 -0.421 19151 4335 1 6 . 1 1 95 95 SER N N 95 123.897 123.897 118.396 5.501 19151 4336 1 6 . 1 1 95 95 SER HA H 95 3.895 3.895 4.417 -0.522 19151 4337 1 6 . 1 1 95 95 SER C C 95 175.243 175.243 175.749 -0.506 19151 4338 1 6 . 1 1 95 95 SER CA C 95 60.183 60.183 59.583 0.600 19151 4339 1 6 . 1 1 95 95 SER CB C 95 61.700 61.700 62.920 -1.220 19151 4340 1 6 . 1 1 95 95 SER H H 95 8.878 8.878 8.029 0.849 19151 4341 1 6 . 1 1 96 96 SER N N 96 119.248 119.248 116.840 2.408 19151 4342 1 6 . 1 1 96 96 SER HA H 96 4.209 4.209 4.212 -0.003 19151 4343 1 6 . 1 1 96 96 SER C C 96 173.900 173.900 174.982 -1.082 19151 4344 1 6 . 1 1 96 96 SER CA C 96 60.197 60.197 59.793 0.404 19151 4345 1 6 . 1 1 96 96 SER CB C 96 63.000 63.000 63.417 -0.417 19151 4346 1 6 . 1 1 96 96 SER H H 96 9.124 9.124 7.723 1.401 19151 4347 1 6 . 1 1 97 97 TYR N N 97 120.889 120.889 121.115 -0.226 19151 4348 1 6 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.546 0.342 19151 4349 1 6 . 1 1 97 97 TYR C C 97 175.972 175.972 177.345 -1.373 19151 4350 1 6 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.135 -2.385 19151 4351 1 6 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.614 0.206 19151 4352 1 6 . 1 1 97 97 TYR H H 97 7.664 7.664 7.634 0.030 19151 4353 1 6 . 1 1 98 98 VAL N N 98 116.952 116.952 121.608 -4.656 19151 4354 1 6 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.790 0.270 19151 4355 1 6 . 1 1 98 98 VAL C C 98 175.969 175.969 176.634 -0.665 19151 4356 1 6 . 1 1 98 98 VAL CA C 98 62.840 62.840 64.957 -2.117 19151 4357 1 6 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.828 0.771 19151 4358 1 6 . 1 1 98 98 VAL H H 98 7.970 7.970 8.614 -0.644 19151 4359 1 6 . 1 1 99 99 ASN N N 99 118.156 118.156 117.241 0.915 19151 4360 1 6 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.887 -0.376 19151 4361 1 6 . 1 1 99 99 ASN C C 99 174.329 174.329 175.887 -1.558 19151 4362 1 6 . 1 1 99 99 ASN CA C 99 53.031 53.031 53.202 -0.171 19151 4363 1 6 . 1 1 99 99 ASN CB C 99 37.238 37.238 38.355 -1.117 19151 4364 1 6 . 1 1 99 99 ASN H H 99 8.296 8.296 8.073 0.223 19151 4365 1 6 . 1 1 100 100 PHE N N 100 118.649 118.649 119.783 -1.134 19151 4366 1 6 . 1 1 100 100 PHE HA H 100 4.415 4.415 3.960 0.455 19151 4367 1 6 . 1 1 100 100 PHE C C 100 174.400 174.400 175.204 -0.804 19151 4368 1 6 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.977 -3.787 19151 4369 1 6 . 1 1 100 100 PHE CB C 100 39.679 39.679 37.925 1.754 19151 4370 1 6 . 1 1 100 100 PHE H H 100 7.855 7.855 7.704 0.151 19151 4371 1 6 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.261 -0.676 19151 4372 1 6 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.626 5.114 19151 4373 1 6 . 1 1 101 101 CYS CB C 101 26.000 26.000 26.768 -0.768 19151 4374 1 6 . 1 1 101 101 CYS H H 101 9.240 9.240 7.988 1.252 19151 4375 1 6 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.351 -0.131 19151 4376 1 6 . 1 1 102 102 ASN CA C 102 57.200 57.200 55.900 1.300 19151 4377 1 6 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.520 0.080 19151 4378 1 6 . 1 1 102 102 ASN H H 102 8.300 8.300 8.776 -0.476 19151 4379 1 6 . 1 1 103 103 GLY C C 103 175.690 175.690 175.915 -0.225 19151 4380 1 6 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.165 0.185 19151 4381 1 6 . 1 1 104 104 GLY N N 104 106.150 106.150 109.085 -2.935 19151 4382 1 6 . 1 1 104 104 GLY C C 104 174.570 174.570 176.190 -1.620 19151 4383 1 6 . 1 1 104 104 GLY CA C 104 47.350 47.350 45.951 1.399 19151 4384 1 6 . 1 1 104 104 GLY H H 104 7.108 7.108 7.625 -0.517 19151 4385 1 6 . 1 1 105 105 LYS N N 105 120.732 120.732 122.444 -1.712 19151 4386 1 6 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.957 -0.020 19151 4387 1 6 . 1 1 105 105 LYS C C 105 179.706 179.706 179.088 0.618 19151 4388 1 6 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.928 0.380 19151 4389 1 6 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.179 -0.382 19151 4390 1 6 . 1 1 105 105 LYS H H 105 7.708 7.708 7.505 0.203 19151 4391 1 6 . 1 1 106 106 GLN N N 106 119.087 119.087 117.503 1.584 19151 4392 1 6 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.184 -0.042 19151 4393 1 6 . 1 1 106 106 GLN C C 106 179.418 179.418 178.529 0.889 19151 4394 1 6 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.653 0.222 19151 4395 1 6 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.331 0.428 19151 4396 1 6 . 1 1 106 106 GLN H H 106 8.738 8.738 8.540 0.198 19151 4397 1 6 . 1 1 107 107 PHE N N 107 123.088 123.088 119.978 3.110 19151 4398 1 6 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.366 -0.116 19151 4399 1 6 . 1 1 107 107 PHE C C 107 178.403 178.403 177.757 0.646 19151 4400 1 6 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.994 0.191 19151 4401 1 6 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.944 0.507 19151 4402 1 6 . 1 1 107 107 PHE H H 107 7.922 7.922 7.799 0.123 19151 4403 1 6 . 1 1 108 108 ASP N N 108 117.118 117.118 120.335 -3.217 19151 4404 1 6 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.648 -0.274 19151 4405 1 6 . 1 1 108 108 ASP C C 108 176.973 176.973 178.163 -1.190 19151 4406 1 6 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.411 1.018 19151 4407 1 6 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.208 2.915 19151 4408 1 6 . 1 1 108 108 ASP H H 108 8.305 8.305 8.251 0.054 19151 4409 1 6 . 1 1 109 109 ALA N N 109 118.590 118.590 123.195 -4.605 19151 4410 1 6 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.116 -0.066 19151 4411 1 6 . 1 1 109 109 ALA C C 109 180.430 180.430 179.790 0.640 19151 4412 1 6 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.018 0.178 19151 4413 1 6 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.309 -0.202 19151 4414 1 6 . 1 1 109 109 ALA H H 109 8.332 8.332 7.993 0.339 19151 4415 1 6 . 1 1 110 110 LEU N N 110 120.402 120.402 120.516 -0.114 19151 4416 1 6 . 1 1 110 110 LEU HA H 110 4.085 4.085 4.028 0.057 19151 4417 1 6 . 1 1 110 110 LEU C C 110 177.801 177.801 179.138 -1.337 19151 4418 1 6 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.566 0.075 19151 4419 1 6 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.910 0.846 19151 4420 1 6 . 1 1 110 110 LEU H H 110 7.868 7.868 7.664 0.204 19151 4421 1 6 . 1 1 111 111 LEU N N 111 116.945 116.945 116.654 0.291 19151 4422 1 6 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.796 -0.078 19151 4423 1 6 . 1 1 111 111 LEU C C 111 179.838 179.838 178.811 1.027 19151 4424 1 6 . 1 1 111 111 LEU CA C 111 57.965 57.965 58.395 -0.430 19151 4425 1 6 . 1 1 111 111 LEU CB C 111 38.860 38.860 40.948 -2.088 19151 4426 1 6 . 1 1 111 111 LEU H H 111 7.704 7.704 7.430 0.274 19151 4427 1 6 . 1 1 112 112 GLN N N 112 118.484 118.484 117.049 1.435 19151 4428 1 6 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.061 0.080 19151 4429 1 6 . 1 1 112 112 GLN C C 112 181.218 181.218 178.579 2.639 19151 4430 1 6 . 1 1 112 112 GLN CA C 112 58.966 58.966 58.316 0.650 19151 4431 1 6 . 1 1 112 112 GLN CB C 112 29.260 29.260 27.891 1.369 19151 4432 1 6 . 1 1 112 112 GLN H H 112 8.441 8.441 7.893 0.548 19151 4433 1 6 . 1 1 113 113 GLU N N 113 122.905 122.905 118.782 4.123 19151 4434 1 6 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.069 0.112 19151 4435 1 6 . 1 1 113 113 GLU C C 113 178.001 178.001 177.989 0.012 19151 4436 1 6 . 1 1 113 113 GLU CA C 113 58.985 58.985 58.324 0.661 19151 4437 1 6 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.381 -0.111 19151 4438 1 6 . 1 1 113 113 GLU H H 113 8.305 8.305 8.162 0.143 19151 4439 1 6 . 1 1 114 114 GLN N N 114 117.332 117.332 117.849 -0.517 19151 4440 1 6 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.243 0.352 19151 4441 1 6 . 1 1 114 114 GLN C C 114 174.538 174.538 177.281 -2.743 19151 4442 1 6 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.724 -1.307 19151 4443 1 6 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.055 -4.224 19151 4444 1 6 . 1 1 114 114 GLN H H 114 7.520 7.520 7.554 -0.034 19151 4445 1 6 . 1 1 115 115 SER N N 115 109.100 109.100 108.596 0.504 19151 4446 1 6 . 1 1 115 115 SER HA H 115 4.200 4.200 4.455 -0.255 19151 4447 1 6 . 1 1 115 115 SER C C 115 172.302 172.302 173.714 -1.412 19151 4448 1 6 . 1 1 115 115 SER CA C 115 60.400 60.400 58.303 2.098 19151 4449 1 6 . 1 1 115 115 SER CB C 115 61.325 61.325 64.388 -3.063 19151 4450 1 6 . 1 1 115 115 SER H H 115 7.950 7.950 8.237 -0.287 19151 4451 1 6 . 1 1 116 116 ALA N N 116 121.059 121.059 126.267 -5.208 19151 4452 1 6 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.200 0.594 19151 4453 1 6 . 1 1 116 116 ALA C C 116 176.774 176.774 176.624 0.150 19151 4454 1 6 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.763 -1.073 19151 4455 1 6 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.084 1.280 19151 4456 1 6 . 1 1 116 116 ALA H H 116 7.813 7.813 7.721 0.092 19151 4457 1 6 . 1 1 117 117 GLN N N 117 118.000 118.000 120.580 -2.580 19151 4458 1 6 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.443 0.175 19151 4459 1 6 . 1 1 117 117 GLN C C 117 173.769 173.769 175.226 -1.457 19151 4460 1 6 . 1 1 117 117 GLN CA C 117 54.556 54.556 55.568 -1.012 19151 4461 1 6 . 1 1 117 117 GLN CB C 117 30.735 30.735 30.482 0.253 19151 4462 1 6 . 1 1 117 117 GLN H H 117 8.591 8.591 8.409 0.182 19151 4463 1 6 . 1 1 118 118 ARG N N 118 127.947 127.947 119.860 8.087 19151 4464 1 6 . 1 1 118 118 ARG HA H 118 3.308 3.308 4.962 -1.654 19151 4465 1 6 . 1 1 118 118 ARG C C 118 176.758 176.758 175.737 1.021 19151 4466 1 6 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.610 1.576 19151 4467 1 6 . 1 1 118 118 ARG CB C 118 30.310 30.310 32.977 -2.667 19151 4468 1 6 . 1 1 118 118 ARG H H 118 8.659 8.659 8.502 0.157 19151 4469 1 6 . 1 1 119 119 VAL N N 119 131.939 131.939 122.997 8.942 19151 4470 1 6 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.154 -0.041 19151 4471 1 6 . 1 1 119 119 VAL C C 119 176.775 176.775 175.552 1.223 19151 4472 1 6 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.212 0.962 19151 4473 1 6 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.434 -1.040 19151 4474 1 6 . 1 1 119 119 VAL H H 119 9.520 9.520 8.845 0.675 19151 4475 1 6 . 1 1 120 120 GLY N N 120 116.074 116.074 107.232 8.842 19151 4476 1 6 . 1 1 120 120 GLY C C 120 172.757 172.757 174.281 -1.524 19151 4477 1 6 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.031 -1.133 19151 4478 1 6 . 1 1 120 120 GLY H H 120 8.755 8.755 8.307 0.448 19151 4479 1 6 . 1 1 121 121 GLU N N 121 118.754 118.754 121.671 -2.917 19151 4480 1 6 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.264 0.402 19151 4481 1 6 . 1 1 121 121 GLU C C 121 177.419 177.419 177.097 0.322 19151 4482 1 6 . 1 1 121 121 GLU CA C 121 54.491 54.491 57.511 -3.020 19151 4483 1 6 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.473 1.025 19151 4484 1 6 . 1 1 121 121 GLU H H 121 8.594 8.594 8.608 -0.014 19151 4485 1 6 . 1 1 122 122 MET N N 122 122.642 122.642 121.494 1.148 19151 4486 1 6 . 1 1 122 122 MET HA H 122 4.415 4.415 4.722 -0.307 19151 4487 1 6 . 1 1 122 122 MET C C 122 175.351 175.351 175.372 -0.021 19151 4488 1 6 . 1 1 122 122 MET CA C 122 57.024 57.024 54.980 2.044 19151 4489 1 6 . 1 1 122 122 MET CB C 122 34.210 34.210 33.142 1.068 19151 4490 1 6 . 1 1 122 122 MET H H 122 8.892 8.892 8.449 0.443 19151 4491 1 6 . 1 1 123 123 LEU N N 123 129.535 129.535 122.713 6.822 19151 4492 1 6 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.415 -0.065 19151 4493 1 6 . 1 1 123 123 LEU C C 123 173.124 173.124 174.068 -0.944 19151 4494 1 6 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.173 0.566 19151 4495 1 6 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.691 -1.613 19151 4496 1 6 . 1 1 123 123 LEU H H 123 7.868 7.868 7.548 0.320 19151 4497 1 6 . 1 1 124 124 LEU N N 124 127.120 127.120 125.907 1.213 19151 4498 1 6 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.707 0.348 19151 4499 1 6 . 1 1 124 124 LEU C C 124 176.379 176.379 176.053 0.326 19151 4500 1 6 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.155 0.395 19151 4501 1 6 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.893 -1.515 19151 4502 1 6 . 1 1 124 124 LEU H H 124 8.346 8.346 8.213 0.133 19151 4503 1 6 . 1 1 125 125 ILE N N 125 124.337 124.337 125.102 -0.765 19151 4504 1 6 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.328 -0.148 19151 4505 1 6 . 1 1 125 125 ILE C C 125 174.303 174.303 174.894 -0.591 19151 4506 1 6 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.370 0.730 19151 4507 1 6 . 1 1 125 125 ILE CB C 125 39.943 39.943 41.514 -1.571 19151 4508 1 6 . 1 1 125 125 ILE H H 125 8.974 8.974 8.619 0.355 19151 4509 1 6 . 1 1 126 126 ASP N N 126 127.113 127.113 128.792 -1.679 19151 4510 1 6 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.541 -0.426 19151 4511 1 6 . 1 1 126 126 ASP C C 126 176.766 176.766 176.582 0.184 19151 4512 1 6 . 1 1 126 126 ASP CA C 126 51.847 51.847 53.939 -2.092 19151 4513 1 6 . 1 1 126 126 ASP CB C 126 41.100 41.100 40.201 0.899 19151 4514 1 6 . 1 1 126 126 ASP H H 126 9.397 9.397 9.043 0.354 19151 4515 1 6 . 1 1 127 127 ALA N N 127 131.178 131.178 130.164 1.014 19151 4516 1 6 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.550 -0.234 19151 4517 1 6 . 1 1 127 127 ALA C C 127 178.530 178.530 178.428 0.102 19151 4518 1 6 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.174 -0.327 19151 4519 1 6 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.129 -0.337 19151 4520 1 6 . 1 1 127 127 ALA H H 127 9.696 9.696 8.823 0.873 19151 4521 1 6 . 1 1 128 128 SER N N 128 112.064 112.064 113.471 -1.407 19151 4522 1 6 . 1 1 128 128 SER HA H 128 4.224 4.224 4.313 -0.089 19151 4523 1 6 . 1 1 128 128 SER C C 128 175.000 175.000 175.404 -0.404 19151 4524 1 6 . 1 1 128 128 SER CA C 128 61.246 61.246 60.652 0.594 19151 4525 1 6 . 1 1 128 128 SER CB C 128 63.310 63.310 63.502 -0.192 19151 4526 1 6 . 1 1 128 128 SER H H 128 8.373 8.373 8.374 -0.001 19151 4527 1 6 . 1 1 129 129 GLU N N 129 119.468 119.468 118.971 0.497 19151 4528 1 6 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.492 -0.092 19151 4529 1 6 . 1 1 129 129 GLU C C 129 175.947 175.947 175.940 0.007 19151 4530 1 6 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.795 -0.380 19151 4531 1 6 . 1 1 129 129 GLU CB C 129 31.730 31.730 32.178 -0.448 19151 4532 1 6 . 1 1 129 129 GLU H H 129 7.267 7.267 7.663 -0.396 19151 4533 1 6 . 1 1 130 130 ASN N N 130 115.968 115.968 118.703 -2.735 19151 4534 1 6 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.132 0.034 19151 4535 1 6 . 1 1 130 130 ASN C C 130 172.000 172.000 173.870 -1.870 19151 4536 1 6 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.747 -0.524 19151 4537 1 6 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.951 -0.285 19151 4538 1 6 . 1 1 130 130 ASN H H 130 8.072 8.072 8.411 -0.339 19151 4539 1 6 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.518 0.032 19151 4540 1 6 . 1 1 131 131 PRO C C 131 176.400 176.400 176.093 0.307 19151 4541 1 6 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.767 -0.267 19151 4542 1 6 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.608 0.692 19151 4543 1 6 . 1 1 132 132 GLU N N 132 119.000 119.000 118.786 0.214 19151 4544 1 6 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.900 0.120 19151 4545 1 6 . 1 1 132 132 GLU C C 132 174.200 174.200 175.269 -1.069 19151 4546 1 6 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.042 -0.042 19151 4547 1 6 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.116 0.584 19151 4548 1 6 . 1 1 132 132 GLU H H 132 7.690 7.690 8.119 -0.429 19151 4549 1 6 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.224 -0.224 19151 4550 1 6 . 1 1 133 133 PRO C C 133 177.391 177.391 178.117 -0.726 19151 4551 1 6 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.202 0.267 19151 4552 1 6 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.967 0.178 19151 4553 1 6 . 1 1 134 134 GLU N N 134 122.846 122.846 118.102 4.744 19151 4554 1 6 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.289 0.931 19151 4555 1 6 . 1 1 134 134 GLU C C 134 178.385 178.385 178.733 -0.348 19151 4556 1 6 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.282 -1.690 19151 4557 1 6 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.268 -1.678 19151 4558 1 6 . 1 1 134 134 GLU H H 134 10.707 10.707 8.875 1.832 19151 4559 1 6 . 1 1 135 135 THR N N 135 113.016 113.016 111.397 1.619 19151 4560 1 6 . 1 1 135 135 THR HA H 135 4.182 4.182 4.256 -0.074 19151 4561 1 6 . 1 1 135 135 THR C C 135 176.460 176.460 175.506 0.954 19151 4562 1 6 . 1 1 135 135 THR CA C 135 64.752 64.752 64.959 -0.207 19151 4563 1 6 . 1 1 135 135 THR CB C 135 69.248 69.248 68.887 0.361 19151 4564 1 6 . 1 1 135 135 THR H H 135 8.168 8.168 8.056 0.112 19151 4565 1 6 . 1 1 136 136 GLU N N 136 118.978 118.978 121.339 -2.361 19151 4566 1 6 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.542 0.022 19151 4567 1 6 . 1 1 136 136 GLU C C 136 178.370 178.370 178.587 -0.217 19151 4568 1 6 . 1 1 136 136 GLU CA C 136 56.913 56.913 57.916 -1.003 19151 4569 1 6 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.960 1.140 19151 4570 1 6 . 1 1 136 136 GLU H H 136 7.680 7.680 7.652 0.028 19151 4571 1 6 . 1 1 137 137 SER N N 137 116.501 116.501 115.958 0.543 19151 4572 1 6 . 1 1 137 137 SER HA H 137 4.033 4.033 4.261 -0.228 19151 4573 1 6 . 1 1 137 137 SER C C 137 175.670 175.670 176.659 -0.989 19151 4574 1 6 . 1 1 137 137 SER CA C 137 62.330 62.330 61.926 0.404 19151 4575 1 6 . 1 1 137 137 SER CB C 137 61.380 61.380 63.128 -1.748 19151 4576 1 6 . 1 1 137 137 SER H H 137 8.824 8.824 8.561 0.263 19151 4577 1 6 . 1 1 138 138 ASN N N 138 123.517 123.517 121.307 2.210 19151 4578 1 6 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.740 -0.149 19151 4579 1 6 . 1 1 138 138 ASN C C 138 175.700 175.700 175.485 0.215 19151 4580 1 6 . 1 1 138 138 ASN CA C 138 57.486 57.486 56.870 0.617 19151 4581 1 6 . 1 1 138 138 ASN CB C 138 34.253 34.253 35.950 -1.697 19151 4582 1 6 . 1 1 138 138 ASN H H 138 8.564 8.564 8.165 0.399 19151 4583 1 6 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.409 0.046 19151 4584 1 6 . 1 1 139 139 PRO C C 139 180.033 180.033 178.753 1.280 19151 4585 1 6 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.464 0.146 19151 4586 1 6 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.505 -0.969 19151 4587 1 6 . 1 1 140 140 TRP N N 140 119.700 119.700 122.036 -2.336 19151 4588 1 6 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.448 -0.115 19151 4589 1 6 . 1 1 140 140 TRP C C 140 179.195 179.195 178.060 1.135 19151 4590 1 6 . 1 1 140 140 TRP CA C 140 62.180 62.180 62.059 0.120 19151 4591 1 6 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.500 1.251 19151 4592 1 6 . 1 1 140 140 TRP H H 140 7.057 7.057 7.571 -0.514 19151 4593 1 6 . 1 1 141 141 VAL N N 141 122.879 122.879 118.770 4.109 19151 4594 1 6 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.649 0.087 19151 4595 1 6 . 1 1 141 141 VAL C C 141 177.416 177.416 178.468 -1.052 19151 4596 1 6 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.078 -0.362 19151 4597 1 6 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.613 -0.180 19151 4598 1 6 . 1 1 141 141 VAL H H 141 9.629 9.629 8.872 0.757 19151 4599 1 6 . 1 1 142 142 GLU N N 142 119.965 119.965 119.564 0.401 19151 4600 1 6 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.068 -0.336 19151 4601 1 6 . 1 1 142 142 GLU C C 142 178.800 178.800 178.051 0.749 19151 4602 1 6 . 1 1 142 142 GLU CA C 142 59.332 59.332 58.981 0.351 19151 4603 1 6 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.715 -0.155 19151 4604 1 6 . 1 1 142 142 GLU H H 142 8.551 8.551 8.206 0.345 19151 4605 1 6 . 1 1 143 143 HIS N N 143 115.364 115.364 117.805 -2.441 19151 4606 1 6 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.423 -0.133 19151 4607 1 6 . 1 1 143 143 HIS C C 143 177.840 177.840 176.288 1.552 19151 4608 1 6 . 1 1 143 143 HIS CA C 143 59.363 59.363 59.617 -0.254 19151 4609 1 6 . 1 1 143 143 HIS CB C 143 29.362 29.362 30.232 -0.870 19151 4610 1 6 . 1 1 143 143 HIS H H 143 7.380 7.380 7.620 -0.240 19151 4611 1 6 . 1 1 144 144 TRP N N 144 126.680 126.680 122.475 4.205 19151 4612 1 6 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.983 -0.649 19151 4613 1 6 . 1 1 144 144 TRP C C 144 178.200 178.200 178.341 -0.141 19151 4614 1 6 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.814 2.146 19151 4615 1 6 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.460 0.064 19151 4616 1 6 . 1 1 144 144 TRP H H 144 9.215 9.215 8.626 0.589 19151 4617 1 6 . 1 1 145 145 GLY N N 145 100.130 100.130 105.541 -5.411 19151 4618 1 6 . 1 1 145 145 GLY C C 145 177.391 177.391 175.712 1.679 19151 4619 1 6 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.236 -0.476 19151 4620 1 6 . 1 1 145 145 GLY H H 145 8.834 8.834 8.657 0.177 19151 4621 1 6 . 1 1 146 146 THR N N 146 110.831 110.831 114.446 -3.615 19151 4622 1 6 . 1 1 146 146 THR HA H 146 4.319 4.319 4.111 0.208 19151 4623 1 6 . 1 1 146 146 THR C C 146 175.574 175.574 175.591 -0.017 19151 4624 1 6 . 1 1 146 146 THR CA C 146 63.260 63.260 64.203 -0.943 19151 4625 1 6 . 1 1 146 146 THR CB C 146 69.660 69.660 68.335 1.325 19151 4626 1 6 . 1 1 146 146 THR H H 146 7.594 7.594 7.634 -0.040 19151 4627 1 6 . 1 1 147 147 LEU N N 147 120.678 120.678 120.262 0.416 19151 4628 1 6 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.150 -0.092 19151 4629 1 6 . 1 1 147 147 LEU C C 147 177.176 177.176 176.545 0.631 19151 4630 1 6 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.411 -1.097 19151 4631 1 6 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.521 -0.293 19151 4632 1 6 . 1 1 147 147 LEU H H 147 7.458 7.458 7.475 -0.017 19151 4633 1 6 . 1 1 148 148 LEU N N 148 117.062 117.062 118.771 -1.709 19151 4634 1 6 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.916 -0.198 19151 4635 1 6 . 1 1 148 148 LEU C C 148 175.570 175.570 176.588 -1.018 19151 4636 1 6 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.333 -0.382 19151 4637 1 6 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.149 -1.549 19151 4638 1 6 . 1 1 148 148 LEU H H 148 6.482 6.482 6.939 -0.457 19151 4639 1 7 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.667 -0.438 19151 4640 1 7 . 1 1 2 2 ALA C C 2 173.315 173.315 174.879 -1.564 19151 4641 1 7 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.702 -0.121 19151 4642 1 7 . 1 1 2 2 ALA CB C 2 20.223 20.223 22.153 -1.930 19151 4643 1 7 . 1 1 3 3 GLU N N 3 121.874 121.874 120.441 1.433 19151 4644 1 7 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.177 0.097 19151 4645 1 7 . 1 1 3 3 GLU C C 3 174.545 174.545 175.052 -0.507 19151 4646 1 7 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.435 0.415 19151 4647 1 7 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.637 -0.917 19151 4648 1 7 . 1 1 3 3 GLU H H 3 8.696 8.696 8.547 0.149 19151 4649 1 7 . 1 1 4 4 ILE N N 4 120.672 120.672 124.952 -4.280 19151 4650 1 7 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.841 0.268 19151 4651 1 7 . 1 1 4 4 ILE C C 4 175.463 175.463 175.010 0.453 19151 4652 1 7 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.207 -0.374 19151 4653 1 7 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.361 3.309 19151 4654 1 7 . 1 1 4 4 ILE H H 4 8.860 8.860 8.900 -0.040 19151 4655 1 7 . 1 1 5 5 GLY N N 5 119.310 119.310 114.858 4.452 19151 4656 1 7 . 1 1 5 5 GLY C C 5 171.260 171.260 172.913 -1.653 19151 4657 1 7 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.548 0.272 19151 4658 1 7 . 1 1 5 5 GLY H H 5 8.469 8.469 8.075 0.394 19151 4659 1 7 . 1 1 6 6 ILE N N 6 126.915 126.915 126.402 0.513 19151 4660 1 7 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.006 0.184 19151 4661 1 7 . 1 1 6 6 ILE C C 6 173.901 173.901 174.458 -0.557 19151 4662 1 7 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.652 -0.652 19151 4663 1 7 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.361 -1.361 19151 4664 1 7 . 1 1 6 6 ILE H H 6 9.056 9.056 9.164 -0.108 19151 4665 1 7 . 1 1 7 7 PHE N N 7 127.354 127.354 127.488 -0.134 19151 4666 1 7 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.250 -0.738 19151 4667 1 7 . 1 1 7 7 PHE C C 7 174.230 174.230 174.706 -0.476 19151 4668 1 7 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.465 1.946 19151 4669 1 7 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.756 0.972 19151 4670 1 7 . 1 1 7 7 PHE H H 7 8.960 8.960 9.581 -0.621 19151 4671 1 7 . 1 1 8 8 VAL N N 8 127.270 127.270 124.144 3.126 19151 4672 1 7 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.141 -0.081 19151 4673 1 7 . 1 1 8 8 VAL C C 8 175.450 175.450 175.536 -0.086 19151 4674 1 7 . 1 1 8 8 VAL CA C 8 61.200 61.200 59.914 1.286 19151 4675 1 7 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.317 0.120 19151 4676 1 7 . 1 1 8 8 VAL H H 8 8.581 8.581 7.942 0.639 19151 4677 1 7 . 1 1 9 9 GLY N N 9 115.000 115.000 115.916 -0.916 19151 4678 1 7 . 1 1 9 9 GLY C C 9 173.150 173.150 171.985 1.165 19151 4679 1 7 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.165 0.835 19151 4680 1 7 . 1 1 9 9 GLY H H 9 9.393 9.393 9.078 0.315 19151 4681 1 7 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.611 0.084 19151 4682 1 7 . 1 1 12 12 TYR C C 12 176.560 176.560 174.277 2.283 19151 4683 1 7 . 1 1 12 12 TYR CA C 12 57.750 57.750 58.285 -0.535 19151 4684 1 7 . 1 1 12 12 TYR CB C 12 38.000 38.000 41.187 -3.187 19151 4685 1 7 . 1 1 13 13 GLY N N 13 109.870 109.870 113.537 -3.667 19151 4686 1 7 . 1 1 13 13 GLY C C 13 175.930 175.930 172.661 3.269 19151 4687 1 7 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.523 1.477 19151 4688 1 7 . 1 1 13 13 GLY H H 13 8.500 8.500 7.537 0.963 19151 4689 1 7 . 1 1 17 17 LEU HA H 17 4.230 4.230 3.960 0.270 19151 4690 1 7 . 1 1 17 17 LEU C C 17 179.210 179.210 177.910 1.300 19151 4691 1 7 . 1 1 17 17 LEU CA C 17 58.400 58.400 58.016 0.384 19151 4692 1 7 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.656 -0.356 19151 4693 1 7 . 1 1 18 18 VAL N N 18 117.231 117.231 117.498 -0.267 19151 4694 1 7 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.651 -0.328 19151 4695 1 7 . 1 1 18 18 VAL C C 18 178.460 178.460 178.049 0.411 19151 4696 1 7 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.459 0.407 19151 4697 1 7 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.996 0.464 19151 4698 1 7 . 1 1 18 18 VAL H H 18 7.645 7.645 8.028 -0.383 19151 4699 1 7 . 1 1 19 19 ALA N N 19 121.820 121.820 121.733 0.087 19151 4700 1 7 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.980 -0.164 19151 4701 1 7 . 1 1 19 19 ALA C C 19 178.180 178.180 179.477 -1.297 19151 4702 1 7 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.593 -0.017 19151 4703 1 7 . 1 1 19 19 ALA CB C 19 20.000 20.000 17.938 2.062 19151 4704 1 7 . 1 1 19 19 ALA H H 19 8.010 8.010 7.804 0.206 19151 4705 1 7 . 1 1 20 20 GLU N N 20 118.960 118.960 118.455 0.505 19151 4706 1 7 . 1 1 20 20 GLU HA H 20 4.016 4.016 3.988 0.028 19151 4707 1 7 . 1 1 20 20 GLU C C 20 180.950 180.950 179.374 1.576 19151 4708 1 7 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.300 0.366 19151 4709 1 7 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.238 0.062 19151 4710 1 7 . 1 1 20 20 GLU H H 20 8.700 8.700 7.959 0.741 19151 4711 1 7 . 1 1 21 21 GLU N N 21 121.371 121.371 119.860 1.511 19151 4712 1 7 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.097 -0.053 19151 4713 1 7 . 1 1 21 21 GLU C C 21 179.419 179.419 178.899 0.520 19151 4714 1 7 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.270 0.040 19151 4715 1 7 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.314 0.247 19151 4716 1 7 . 1 1 21 21 GLU H H 21 8.632 8.632 8.213 0.419 19151 4717 1 7 . 1 1 22 22 ALA N N 22 121.329 121.329 122.828 -1.499 19151 4718 1 7 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.066 -0.008 19151 4719 1 7 . 1 1 22 22 ALA C C 22 178.823 178.823 179.374 -0.551 19151 4720 1 7 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.608 -0.931 19151 4721 1 7 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.137 -0.494 19151 4722 1 7 . 1 1 22 22 ALA H H 22 8.182 8.182 8.526 -0.344 19151 4723 1 7 . 1 1 23 23 GLU N N 23 119.035 119.035 119.188 -0.153 19151 4724 1 7 . 1 1 23 23 GLU HA H 23 3.404 3.404 3.982 -0.578 19151 4725 1 7 . 1 1 23 23 GLU C C 23 178.375 178.375 178.615 -0.240 19151 4726 1 7 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.731 0.577 19151 4727 1 7 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.625 -0.695 19151 4728 1 7 . 1 1 23 23 GLU H H 23 8.387 8.387 8.434 -0.047 19151 4729 1 7 . 1 1 24 24 ALA N N 24 122.207 122.207 121.833 0.374 19151 4730 1 7 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.106 -0.076 19151 4731 1 7 . 1 1 24 24 ALA C C 24 181.132 181.132 179.881 1.251 19151 4732 1 7 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.121 0.366 19151 4733 1 7 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.635 -0.635 19151 4734 1 7 . 1 1 24 24 ALA H H 24 7.535 7.535 7.731 -0.196 19151 4735 1 7 . 1 1 25 25 ILE N N 25 121.059 121.059 120.257 0.802 19151 4736 1 7 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.739 -0.075 19151 4737 1 7 . 1 1 25 25 ILE C C 25 178.419 178.419 177.921 0.498 19151 4738 1 7 . 1 1 25 25 ILE CA C 25 65.108 65.108 65.971 -0.863 19151 4739 1 7 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.168 0.795 19151 4740 1 7 . 1 1 25 25 ILE H H 25 7.800 7.800 8.520 -0.720 19151 4741 1 7 . 1 1 26 26 LEU N N 26 119.307 119.307 120.750 -1.443 19151 4742 1 7 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.136 0.040 19151 4743 1 7 . 1 1 26 26 LEU C C 26 179.863 179.863 179.675 0.188 19151 4744 1 7 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.377 -0.430 19151 4745 1 7 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.149 -0.009 19151 4746 1 7 . 1 1 26 26 LEU H H 26 8.509 8.509 8.741 -0.232 19151 4747 1 7 . 1 1 27 27 THR N N 27 117.830 117.830 116.096 1.734 19151 4748 1 7 . 1 1 27 27 THR HA H 27 4.524 4.524 4.278 0.246 19151 4749 1 7 . 1 1 27 27 THR C C 27 179.027 179.027 176.374 2.653 19151 4750 1 7 . 1 1 27 27 THR CA C 27 66.000 66.000 66.695 -0.695 19151 4751 1 7 . 1 1 27 27 THR CB C 27 68.600 68.600 68.698 -0.098 19151 4752 1 7 . 1 1 27 27 THR H H 27 8.796 8.796 8.366 0.430 19151 4753 1 7 . 1 1 28 28 ALA N N 28 126.313 126.313 122.664 3.649 19151 4754 1 7 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.151 0.054 19151 4755 1 7 . 1 1 28 28 ALA C C 28 179.360 179.360 179.588 -0.228 19151 4756 1 7 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.271 0.729 19151 4757 1 7 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.236 -0.586 19151 4758 1 7 . 1 1 28 28 ALA H H 28 7.832 7.832 7.907 -0.075 19151 4759 1 7 . 1 1 29 29 GLN N N 29 115.527 115.527 116.388 -0.861 19151 4760 1 7 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.182 -0.055 19151 4761 1 7 . 1 1 29 29 GLN C C 29 176.547 176.547 176.919 -0.372 19151 4762 1 7 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.688 -0.125 19151 4763 1 7 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.707 -0.297 19151 4764 1 7 . 1 1 29 29 GLN H H 29 7.353 7.353 8.314 -0.961 19151 4765 1 7 . 1 1 30 30 GLY N N 30 105.961 105.961 106.899 -0.938 19151 4766 1 7 . 1 1 30 30 GLY C C 30 174.785 174.785 173.095 1.690 19151 4767 1 7 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.567 -0.067 19151 4768 1 7 . 1 1 30 30 GLY H H 30 7.923 7.923 7.747 0.176 19151 4769 1 7 . 1 1 31 31 HIS N N 31 119.471 119.471 117.702 1.769 19151 4770 1 7 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.965 -0.130 19151 4771 1 7 . 1 1 31 31 HIS C C 31 174.665 174.665 174.931 -0.266 19151 4772 1 7 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.059 1.782 19151 4773 1 7 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.979 0.021 19151 4774 1 7 . 1 1 31 31 HIS H H 31 7.558 7.558 8.189 -0.631 19151 4775 1 7 . 1 1 32 32 LYS N N 32 121.854 121.854 122.563 -0.709 19151 4776 1 7 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.518 0.205 19151 4777 1 7 . 1 1 32 32 LYS C C 32 174.466 174.466 175.341 -0.875 19151 4778 1 7 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.924 -0.059 19151 4779 1 7 . 1 1 32 32 LYS CB C 32 32.960 32.960 30.520 2.439 19151 4780 1 7 . 1 1 32 32 LYS H H 32 8.665 8.665 8.797 -0.132 19151 4781 1 7 . 1 1 33 33 ALA N N 33 130.188 130.188 126.966 3.222 19151 4782 1 7 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.355 0.463 19151 4783 1 7 . 1 1 33 33 ALA C C 33 175.567 175.567 177.047 -1.480 19151 4784 1 7 . 1 1 33 33 ALA CA C 33 49.976 49.976 51.126 -1.150 19151 4785 1 7 . 1 1 33 33 ALA CB C 33 22.297 22.297 20.652 1.645 19151 4786 1 7 . 1 1 33 33 ALA H H 33 8.837 8.837 8.006 0.831 19151 4787 1 7 . 1 1 34 34 THR N N 34 117.164 117.164 117.948 -0.784 19151 4788 1 7 . 1 1 34 34 THR HA H 34 4.359 4.359 4.713 -0.354 19151 4789 1 7 . 1 1 34 34 THR C C 34 171.315 171.315 173.498 -2.183 19151 4790 1 7 . 1 1 34 34 THR CA C 34 61.840 61.840 61.609 0.231 19151 4791 1 7 . 1 1 34 34 THR CB C 34 71.800 71.800 72.712 -0.912 19151 4792 1 7 . 1 1 34 34 THR H H 34 7.826 7.826 8.839 -1.013 19151 4793 1 7 . 1 1 35 35 VAL N N 35 126.650 126.650 124.427 2.223 19151 4794 1 7 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.357 -0.174 19151 4795 1 7 . 1 1 35 35 VAL C C 35 174.675 174.675 175.162 -0.487 19151 4796 1 7 . 1 1 35 35 VAL CA C 35 61.928 61.928 62.130 -0.202 19151 4797 1 7 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.548 0.102 19151 4798 1 7 . 1 1 35 35 VAL H H 35 8.496 8.496 8.703 -0.207 19151 4799 1 7 . 1 1 36 36 PHE N N 36 127.630 127.630 126.929 0.701 19151 4800 1 7 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.643 -0.092 19151 4801 1 7 . 1 1 36 36 PHE C C 36 174.347 174.347 174.460 -0.113 19151 4802 1 7 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.528 0.954 19151 4803 1 7 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.128 0.037 19151 4804 1 7 . 1 1 36 36 PHE H H 36 9.164 9.164 9.162 0.002 19151 4805 1 7 . 1 1 37 37 GLU N N 37 123.516 123.516 124.137 -0.621 19151 4806 1 7 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.464 0.006 19151 4807 1 7 . 1 1 37 37 GLU C C 37 175.954 175.954 176.188 -0.234 19151 4808 1 7 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.285 -0.566 19151 4809 1 7 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.788 0.672 19151 4810 1 7 . 1 1 37 37 GLU H H 37 8.455 8.455 8.611 -0.156 19151 4811 1 7 . 1 1 38 38 ASP N N 38 120.395 120.395 120.694 -0.299 19151 4812 1 7 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.477 0.356 19151 4813 1 7 . 1 1 38 38 ASP C C 38 173.920 173.920 174.529 -0.609 19151 4814 1 7 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.340 0.137 19151 4815 1 7 . 1 1 38 38 ASP CB C 38 40.604 40.604 39.834 0.770 19151 4816 1 7 . 1 1 38 38 ASP H H 38 9.602 9.602 8.581 1.021 19151 4817 1 7 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.449 0.231 19151 4818 1 7 . 1 1 39 39 PRO C C 39 176.274 176.274 176.187 0.087 19151 4819 1 7 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.640 -0.656 19151 4820 1 7 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.626 1.774 19151 4821 1 7 . 1 1 40 40 GLU N N 40 119.026 119.026 122.198 -3.172 19151 4822 1 7 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.523 0.205 19151 4823 1 7 . 1 1 40 40 GLU C C 40 177.827 177.827 177.389 0.438 19151 4824 1 7 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.983 -1.013 19151 4825 1 7 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.302 2.098 19151 4826 1 7 . 1 1 40 40 GLU H H 40 9.178 9.178 8.670 0.508 19151 4827 1 7 . 1 1 41 41 LEU N N 41 123.708 123.708 124.744 -1.036 19151 4828 1 7 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.159 -0.265 19151 4829 1 7 . 1 1 41 41 LEU C C 41 178.730 178.730 178.140 0.590 19151 4830 1 7 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.914 0.493 19151 4831 1 7 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.895 -0.242 19151 4832 1 7 . 1 1 41 41 LEU H H 41 9.160 9.160 8.846 0.314 19151 4833 1 7 . 1 1 42 42 SER N N 42 110.500 110.500 113.608 -3.108 19151 4834 1 7 . 1 1 42 42 SER HA H 42 4.010 4.010 4.234 -0.224 19151 4835 1 7 . 1 1 42 42 SER C C 42 176.300 176.300 175.045 1.255 19151 4836 1 7 . 1 1 42 42 SER CA C 42 61.600 61.600 60.834 0.765 19151 4837 1 7 . 1 1 42 42 SER CB C 42 62.140 62.140 62.826 -0.686 19151 4838 1 7 . 1 1 42 42 SER H H 42 8.415 8.415 8.473 -0.058 19151 4839 1 7 . 1 1 43 43 ASP N N 43 119.770 119.770 120.893 -1.123 19151 4840 1 7 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.744 -0.287 19151 4841 1 7 . 1 1 43 43 ASP C C 43 176.150 176.150 176.383 -0.233 19151 4842 1 7 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.396 1.354 19151 4843 1 7 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.121 1.579 19151 4844 1 7 . 1 1 43 43 ASP H H 43 7.690 7.690 7.844 -0.154 19151 4845 1 7 . 1 1 44 44 TRP N N 44 118.500 118.500 121.182 -2.682 19151 4846 1 7 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.373 -0.163 19151 4847 1 7 . 1 1 44 44 TRP C C 44 177.150 177.150 177.612 -0.462 19151 4848 1 7 . 1 1 44 44 TRP CA C 44 59.387 59.387 59.089 0.298 19151 4849 1 7 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.412 -0.102 19151 4850 1 7 . 1 1 44 44 TRP H H 44 7.464 7.464 7.561 -0.097 19151 4851 1 7 . 1 1 45 45 LEU N N 45 114.100 114.100 120.650 -6.550 19151 4852 1 7 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.056 0.119 19151 4853 1 7 . 1 1 45 45 LEU C C 45 176.300 176.300 175.817 0.483 19151 4854 1 7 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.188 -0.628 19151 4855 1 7 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.348 -0.128 19151 4856 1 7 . 1 1 45 45 LEU H H 45 7.550 7.550 8.412 -0.862 19151 4857 1 7 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.123 0.257 19151 4858 1 7 . 1 1 46 46 PRO C C 46 176.799 176.799 177.551 -0.752 19151 4859 1 7 . 1 1 46 46 PRO CA C 46 65.287 65.287 65.350 -0.063 19151 4860 1 7 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.138 0.462 19151 4861 1 7 . 1 1 47 47 TYR N N 47 113.790 113.790 115.288 -1.498 19151 4862 1 7 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.648 -0.528 19151 4863 1 7 . 1 1 47 47 TYR C C 47 175.730 175.730 177.984 -2.254 19151 4864 1 7 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.411 1.789 19151 4865 1 7 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.792 0.224 19151 4866 1 7 . 1 1 47 47 TYR H H 47 8.291 8.291 8.274 0.017 19151 4867 1 7 . 1 1 48 48 GLN N N 48 116.524 116.524 120.587 -4.063 19151 4868 1 7 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.953 -0.068 19151 4869 1 7 . 1 1 48 48 GLN C C 48 174.381 174.381 175.926 -1.545 19151 4870 1 7 . 1 1 48 48 GLN CA C 48 59.826 59.826 60.001 -0.175 19151 4871 1 7 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.890 2.110 19151 4872 1 7 . 1 1 48 48 GLN H H 48 7.300 7.300 7.490 -0.190 19151 4873 1 7 . 1 1 49 49 ASP N N 49 114.657 114.657 114.548 0.109 19151 4874 1 7 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.750 -0.063 19151 4875 1 7 . 1 1 49 49 ASP C C 49 176.307 176.307 175.589 0.718 19151 4876 1 7 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.938 -2.203 19151 4877 1 7 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.126 -0.926 19151 4878 1 7 . 1 1 49 49 ASP H H 49 7.854 7.854 8.404 -0.550 19151 4879 1 7 . 1 1 50 50 LYS N N 50 123.514 123.514 119.581 3.933 19151 4880 1 7 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.560 0.030 19151 4881 1 7 . 1 1 50 50 LYS C C 50 172.964 172.964 175.106 -2.142 19151 4882 1 7 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.031 -0.338 19151 4883 1 7 . 1 1 50 50 LYS CB C 50 33.500 33.500 35.513 -2.013 19151 4884 1 7 . 1 1 50 50 LYS H H 50 7.833 7.833 7.607 0.226 19151 4885 1 7 . 1 1 51 51 TYR N N 51 118.375 118.375 115.596 2.779 19151 4886 1 7 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.855 0.200 19151 4887 1 7 . 1 1 51 51 TYR C C 51 175.875 175.875 176.122 -0.247 19151 4888 1 7 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.713 0.708 19151 4889 1 7 . 1 1 51 51 TYR CB C 51 42.477 42.477 41.025 1.452 19151 4890 1 7 . 1 1 51 51 TYR H H 51 7.745 7.745 7.857 -0.112 19151 4891 1 7 . 1 1 52 52 VAL N N 52 112.527 112.527 114.850 -2.323 19151 4892 1 7 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.889 0.611 19151 4893 1 7 . 1 1 52 52 VAL C C 52 173.910 173.910 174.225 -0.315 19151 4894 1 7 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.980 -2.284 19151 4895 1 7 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.410 1.083 19151 4896 1 7 . 1 1 52 52 VAL H H 52 8.673 8.673 8.473 0.200 19151 4897 1 7 . 1 1 53 53 LEU N N 53 124.294 124.294 123.700 0.594 19151 4898 1 7 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.141 -0.241 19151 4899 1 7 . 1 1 53 53 LEU C C 53 175.070 175.070 174.373 0.697 19151 4900 1 7 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.795 -1.229 19151 4901 1 7 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.581 -1.351 19151 4902 1 7 . 1 1 53 53 LEU H H 53 9.137 9.137 9.223 -0.086 19151 4903 1 7 . 1 1 54 54 VAL N N 54 127.850 127.850 127.999 -0.149 19151 4904 1 7 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.797 -0.287 19151 4905 1 7 . 1 1 54 54 VAL C C 54 174.030 174.030 174.456 -0.426 19151 4906 1 7 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.300 0.525 19151 4907 1 7 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.619 -0.928 19151 4908 1 7 . 1 1 54 54 VAL H H 54 8.619 8.619 9.000 -0.381 19151 4909 1 7 . 1 1 55 55 VAL N N 55 127.181 127.181 129.119 -1.938 19151 4910 1 7 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.896 0.189 19151 4911 1 7 . 1 1 55 55 VAL C C 55 174.942 174.942 174.714 0.228 19151 4912 1 7 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.834 -0.765 19151 4913 1 7 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.699 -0.477 19151 4914 1 7 . 1 1 55 55 VAL H H 55 8.578 8.578 8.747 -0.169 19151 4915 1 7 . 1 1 56 56 THR N N 56 117.420 117.420 118.513 -1.093 19151 4916 1 7 . 1 1 56 56 THR HA H 56 5.590 5.590 5.082 0.508 19151 4917 1 7 . 1 1 56 56 THR C C 56 172.640 172.640 174.624 -1.984 19151 4918 1 7 . 1 1 56 56 THR CA C 56 59.359 59.359 59.979 -0.620 19151 4919 1 7 . 1 1 56 56 THR CB C 56 70.715 70.715 70.251 0.464 19151 4920 1 7 . 1 1 56 56 THR H H 56 8.710 8.710 8.939 -0.229 19151 4921 1 7 . 1 1 57 57 SER HA H 57 5.250 5.250 4.700 0.550 19151 4922 1 7 . 1 1 57 57 SER CA C 57 57.730 57.730 58.973 -1.243 19151 4923 1 7 . 1 1 57 57 SER CB C 57 64.500 64.500 64.077 0.423 19151 4924 1 7 . 1 1 57 57 SER H H 57 8.075 8.075 9.059 -0.984 19151 4925 1 7 . 1 1 58 58 THR H H 58 7.900 7.900 7.894 0.006 19151 4926 1 7 . 1 1 59 59 THR HA H 59 4.900 4.900 4.087 0.813 19151 4927 1 7 . 1 1 59 59 THR CA C 59 61.200 61.200 66.213 -5.013 19151 4928 1 7 . 1 1 59 59 THR CB C 59 73.400 73.400 69.156 4.244 19151 4929 1 7 . 1 1 59 59 THR H H 59 9.230 9.230 8.015 1.215 19151 4930 1 7 . 1 1 60 60 GLY CA C 60 46.500 46.500 46.654 -0.153 19151 4931 1 7 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.150 0.256 19151 4932 1 7 . 1 1 61 61 GLN C C 61 175.950 175.950 176.541 -0.591 19151 4933 1 7 . 1 1 61 61 GLN CA C 61 55.350 55.350 56.757 -1.407 19151 4934 1 7 . 1 1 61 61 GLN CB C 61 29.160 29.160 29.182 -0.022 19151 4935 1 7 . 1 1 62 62 GLY N N 62 108.420 108.420 106.224 2.196 19151 4936 1 7 . 1 1 62 62 GLY C C 62 173.134 173.134 172.940 0.194 19151 4937 1 7 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.806 0.978 19151 4938 1 7 . 1 1 62 62 GLY H H 62 8.073 8.073 7.848 0.225 19151 4939 1 7 . 1 1 63 63 ASP N N 63 118.400 118.400 118.157 0.243 19151 4940 1 7 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.347 0.433 19151 4941 1 7 . 1 1 63 63 ASP CA C 63 53.296 53.296 54.998 -1.702 19151 4942 1 7 . 1 1 63 63 ASP CB C 63 42.740 42.740 41.233 1.507 19151 4943 1 7 . 1 1 63 63 ASP H H 63 7.248 7.248 8.282 -1.034 19151 4944 1 7 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.497 -0.097 19151 4945 1 7 . 1 1 64 64 LEU CA C 64 53.150 53.150 52.820 0.330 19151 4946 1 7 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.298 -0.611 19151 4947 1 7 . 1 1 64 64 LEU H H 64 8.445 8.445 8.142 0.303 19151 4948 1 7 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.574 -0.281 19151 4949 1 7 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.086 0.258 19151 4950 1 7 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.825 -0.345 19151 4951 1 7 . 1 1 66 66 ASP N N 66 121.200 121.200 120.737 0.463 19151 4952 1 7 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.424 -0.164 19151 4953 1 7 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.290 1.340 19151 4954 1 7 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.871 -0.071 19151 4955 1 7 . 1 1 66 66 ASP H H 66 8.605 8.605 8.636 -0.031 19151 4956 1 7 . 1 1 67 67 SER HA H 67 4.292 4.292 4.326 -0.034 19151 4957 1 7 . 1 1 67 67 SER C C 67 175.650 175.650 175.823 -0.173 19151 4958 1 7 . 1 1 67 67 SER CA C 67 60.500 60.500 60.689 -0.189 19151 4959 1 7 . 1 1 67 67 SER CB C 67 63.530 63.530 63.770 -0.240 19151 4960 1 7 . 1 1 68 68 ILE N N 68 120.550 120.550 121.299 -0.749 19151 4961 1 7 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.438 0.672 19151 4962 1 7 . 1 1 68 68 ILE C C 68 174.713 174.713 176.617 -1.904 19151 4963 1 7 . 1 1 68 68 ILE CA C 68 60.400 60.400 61.294 -0.894 19151 4964 1 7 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.343 3.897 19151 4965 1 7 . 1 1 68 68 ILE H H 68 7.870 7.870 7.629 0.241 19151 4966 1 7 . 1 1 69 69 VAL N N 69 125.740 125.740 123.261 2.479 19151 4967 1 7 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.721 0.024 19151 4968 1 7 . 1 1 69 69 VAL C C 69 174.500 174.500 174.918 -0.418 19151 4969 1 7 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.493 -0.943 19151 4970 1 7 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.204 0.926 19151 4971 1 7 . 1 1 69 69 VAL H H 69 7.428 7.428 8.465 -1.037 19151 4972 1 7 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.335 -0.043 19151 4973 1 7 . 1 1 70 70 PRO C C 70 180.820 180.820 179.020 1.800 19151 4974 1 7 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.058 0.412 19151 4975 1 7 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.285 -0.628 19151 4976 1 7 . 1 1 71 71 LEU N N 71 119.467 119.467 120.443 -0.976 19151 4977 1 7 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.012 -0.167 19151 4978 1 7 . 1 1 71 71 LEU C C 71 176.489 176.489 178.330 -1.841 19151 4979 1 7 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.915 0.292 19151 4980 1 7 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.737 -0.251 19151 4981 1 7 . 1 1 71 71 LEU H H 71 7.918 7.918 7.369 0.549 19151 4982 1 7 . 1 1 72 72 PHE N N 72 119.361 119.361 119.457 -0.096 19151 4983 1 7 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.312 -0.167 19151 4984 1 7 . 1 1 72 72 PHE C C 72 175.968 175.968 177.108 -1.140 19151 4985 1 7 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.717 0.104 19151 4986 1 7 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.668 0.879 19151 4987 1 7 . 1 1 72 72 PHE H H 72 7.903 7.903 8.754 -0.851 19151 4988 1 7 . 1 1 73 73 GLN N N 73 116.100 116.100 116.968 -0.868 19151 4989 1 7 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.780 -0.253 19151 4990 1 7 . 1 1 73 73 GLN C C 73 177.871 177.871 178.715 -0.844 19151 4991 1 7 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.844 -0.704 19151 4992 1 7 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.139 0.008 19151 4993 1 7 . 1 1 73 73 GLN H H 73 9.042 9.042 8.725 0.317 19151 4994 1 7 . 1 1 74 74 GLY N N 74 107.110 107.110 108.047 -0.937 19151 4995 1 7 . 1 1 74 74 GLY C C 74 175.894 175.894 176.458 -0.564 19151 4996 1 7 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.724 0.556 19151 4997 1 7 . 1 1 74 74 GLY H H 74 8.045 8.045 8.122 -0.077 19151 4998 1 7 . 1 1 75 75 ILE N N 75 123.629 123.629 122.906 0.723 19151 4999 1 7 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.360 -0.310 19151 5000 1 7 . 1 1 75 75 ILE C C 75 178.622 178.622 177.025 1.597 19151 5001 1 7 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.820 0.437 19151 5002 1 7 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.433 0.535 19151 5003 1 7 . 1 1 75 75 ILE H H 75 8.174 8.174 8.105 0.069 19151 5004 1 7 . 1 1 76 76 LYS N N 76 119.363 119.363 118.381 0.982 19151 5005 1 7 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.782 -0.477 19151 5006 1 7 . 1 1 76 76 LYS C C 76 177.909 177.909 178.201 -0.292 19151 5007 1 7 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.240 0.465 19151 5008 1 7 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.937 0.413 19151 5009 1 7 . 1 1 76 76 LYS H H 76 7.600 7.600 7.481 0.119 19151 5010 1 7 . 1 1 77 77 ASP N N 77 115.190 115.190 117.660 -2.470 19151 5011 1 7 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.608 -0.126 19151 5012 1 7 . 1 1 77 77 ASP C C 77 178.825 178.825 177.755 1.070 19151 5013 1 7 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.735 0.545 19151 5014 1 7 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.810 -0.620 19151 5015 1 7 . 1 1 77 77 ASP H H 77 8.482 8.482 8.163 0.319 19151 5016 1 7 . 1 1 78 78 SER N N 78 112.576 112.576 115.743 -3.167 19151 5017 1 7 . 1 1 78 78 SER HA H 78 4.728 4.728 4.386 0.342 19151 5018 1 7 . 1 1 78 78 SER C C 78 174.556 174.556 174.942 -0.386 19151 5019 1 7 . 1 1 78 78 SER CA C 78 60.045 60.045 59.785 0.260 19151 5020 1 7 . 1 1 78 78 SER CB C 78 64.643 64.643 63.995 0.648 19151 5021 1 7 . 1 1 78 78 SER H H 78 8.273 8.273 7.917 0.356 19151 5022 1 7 . 1 1 79 79 LEU N N 79 120.833 120.833 120.993 -0.160 19151 5023 1 7 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.397 0.418 19151 5024 1 7 . 1 1 79 79 LEU C C 79 176.251 176.251 178.811 -2.560 19151 5025 1 7 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.343 -2.383 19151 5026 1 7 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.335 -3.139 19151 5027 1 7 . 1 1 79 79 LEU H H 79 7.025 7.025 7.422 -0.397 19151 5028 1 7 . 1 1 80 80 GLY N N 80 108.861 108.861 107.004 1.857 19151 5029 1 7 . 1 1 80 80 GLY C C 80 173.623 173.623 173.625 -0.002 19151 5030 1 7 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.501 -0.272 19151 5031 1 7 . 1 1 80 80 GLY H H 80 7.499 7.499 8.149 -0.650 19151 5032 1 7 . 1 1 81 81 PHE N N 81 121.441 121.441 119.462 1.979 19151 5033 1 7 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.755 0.305 19151 5034 1 7 . 1 1 81 81 PHE C C 81 174.411 174.411 172.486 1.925 19151 5035 1 7 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.200 0.011 19151 5036 1 7 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.345 -0.725 19151 5037 1 7 . 1 1 81 81 PHE H H 81 8.018 8.018 7.459 0.559 19151 5038 1 7 . 1 1 82 82 GLN N N 82 126.480 126.480 123.274 3.206 19151 5039 1 7 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.621 0.269 19151 5040 1 7 . 1 1 82 82 GLN C C 82 172.700 172.700 173.337 -0.637 19151 5041 1 7 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.007 2.170 19151 5042 1 7 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.785 1.815 19151 5043 1 7 . 1 1 82 82 GLN H H 82 9.588 9.588 7.490 2.098 19151 5044 1 7 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.373 0.000 19151 5045 1 7 . 1 1 83 83 PRO C C 83 178.163 178.163 176.665 1.498 19151 5046 1 7 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.101 -0.410 19151 5047 1 7 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.730 -0.865 19151 5048 1 7 . 1 1 84 84 ASN N N 84 116.900 116.900 114.067 2.833 19151 5049 1 7 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.896 -0.127 19151 5050 1 7 . 1 1 84 84 ASN C C 84 173.332 173.332 173.864 -0.532 19151 5051 1 7 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.529 0.031 19151 5052 1 7 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.484 -1.224 19151 5053 1 7 . 1 1 84 84 ASN H H 84 8.578 8.578 8.244 0.334 19151 5054 1 7 . 1 1 85 85 LEU N N 85 124.380 124.380 123.213 1.167 19151 5055 1 7 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.448 -0.402 19151 5056 1 7 . 1 1 85 85 LEU C C 85 175.880 175.880 175.669 0.211 19151 5057 1 7 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.735 1.107 19151 5058 1 7 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.332 -1.032 19151 5059 1 7 . 1 1 85 85 LEU H H 85 7.240 7.240 7.661 -0.421 19151 5060 1 7 . 1 1 86 86 ARG N N 86 128.715 128.715 124.027 4.688 19151 5061 1 7 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.063 0.731 19151 5062 1 7 . 1 1 86 86 ARG C C 86 175.554 175.554 174.565 0.989 19151 5063 1 7 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.363 0.079 19151 5064 1 7 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.214 -1.341 19151 5065 1 7 . 1 1 86 86 ARG H H 86 7.732 7.732 8.259 -0.527 19151 5066 1 7 . 1 1 87 87 TYR N N 87 117.420 117.420 119.594 -2.174 19151 5067 1 7 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.587 1.178 19151 5068 1 7 . 1 1 87 87 TYR C C 87 172.931 172.931 173.192 -0.261 19151 5069 1 7 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.477 -1.216 19151 5070 1 7 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.687 3.251 19151 5071 1 7 . 1 1 87 87 TYR H H 87 8.783 8.783 8.155 0.628 19151 5072 1 7 . 1 1 88 88 GLY N N 88 107.765 107.765 106.508 1.257 19151 5073 1 7 . 1 1 88 88 GLY C C 88 172.621 172.621 171.279 1.342 19151 5074 1 7 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.652 1.209 19151 5075 1 7 . 1 1 88 88 GLY H H 88 8.905 8.905 8.682 0.223 19151 5076 1 7 . 1 1 89 89 VAL N N 89 118.180 118.180 118.740 -0.560 19151 5077 1 7 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.678 0.323 19151 5078 1 7 . 1 1 89 89 VAL C C 89 172.939 172.939 173.965 -1.026 19151 5079 1 7 . 1 1 89 89 VAL CA C 89 60.999 60.999 61.586 -0.586 19151 5080 1 7 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.670 0.728 19151 5081 1 7 . 1 1 89 89 VAL H H 89 7.499 7.499 8.204 -0.705 19151 5082 1 7 . 1 1 90 90 ILE N N 90 125.000 125.000 126.288 -1.288 19151 5083 1 7 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.225 -0.098 19151 5084 1 7 . 1 1 90 90 ILE C C 90 173.099 173.099 173.676 -0.577 19151 5085 1 7 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.984 0.504 19151 5086 1 7 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.707 -0.309 19151 5087 1 7 . 1 1 90 90 ILE H H 90 8.810 8.810 8.893 -0.083 19151 5088 1 7 . 1 1 91 91 ALA N N 91 129.036 129.036 129.729 -0.693 19151 5089 1 7 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.410 -0.084 19151 5090 1 7 . 1 1 91 91 ALA C C 91 174.000 174.000 175.358 -1.358 19151 5091 1 7 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.314 -0.314 19151 5092 1 7 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.820 0.280 19151 5093 1 7 . 1 1 91 91 ALA H H 91 9.253 9.253 9.024 0.229 19151 5094 1 7 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.162 -0.231 19151 5095 1 7 . 1 1 92 92 LEU C C 92 177.366 177.366 176.804 0.562 19151 5096 1 7 . 1 1 92 92 LEU CA C 92 54.917 54.917 53.393 1.524 19151 5097 1 7 . 1 1 92 92 LEU CB C 92 43.400 43.400 45.535 -2.135 19151 5098 1 7 . 1 1 93 93 GLY N N 93 110.663 110.663 107.555 3.108 19151 5099 1 7 . 1 1 93 93 GLY C C 93 172.029 172.029 172.044 -0.015 19151 5100 1 7 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.626 0.104 19151 5101 1 7 . 1 1 93 93 GLY H H 93 8.687 8.687 8.683 0.004 19151 5102 1 7 . 1 1 94 94 ASP N N 94 119.304 119.304 119.007 0.297 19151 5103 1 7 . 1 1 94 94 ASP HA H 94 5.260 5.260 4.841 0.419 19151 5104 1 7 . 1 1 94 94 ASP C C 94 176.978 176.978 176.913 0.065 19151 5105 1 7 . 1 1 94 94 ASP CA C 94 53.607 53.607 53.611 -0.004 19151 5106 1 7 . 1 1 94 94 ASP CB C 94 43.000 43.000 40.093 2.906 19151 5107 1 7 . 1 1 94 94 ASP H H 94 8.129 8.129 8.551 -0.422 19151 5108 1 7 . 1 1 95 95 SER N N 95 123.897 123.897 120.299 3.598 19151 5109 1 7 . 1 1 95 95 SER HA H 95 3.895 3.895 4.115 -0.220 19151 5110 1 7 . 1 1 95 95 SER C C 95 175.243 175.243 175.261 -0.018 19151 5111 1 7 . 1 1 95 95 SER CA C 95 60.183 60.183 59.423 0.760 19151 5112 1 7 . 1 1 95 95 SER CB C 95 61.700 61.700 62.620 -0.920 19151 5113 1 7 . 1 1 95 95 SER H H 95 8.878 8.878 8.605 0.273 19151 5114 1 7 . 1 1 96 96 SER N N 96 119.248 119.248 115.649 3.599 19151 5115 1 7 . 1 1 96 96 SER HA H 96 4.209 4.209 4.125 0.084 19151 5116 1 7 . 1 1 96 96 SER C C 96 173.900 173.900 174.440 -0.540 19151 5117 1 7 . 1 1 96 96 SER CA C 96 60.197 60.197 60.102 0.095 19151 5118 1 7 . 1 1 96 96 SER CB C 96 63.000 63.000 63.450 -0.450 19151 5119 1 7 . 1 1 96 96 SER H H 96 9.124 9.124 7.652 1.472 19151 5120 1 7 . 1 1 97 97 TYR N N 97 120.889 120.889 118.416 2.473 19151 5121 1 7 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.606 0.281 19151 5122 1 7 . 1 1 97 97 TYR C C 97 175.972 175.972 175.203 0.769 19151 5123 1 7 . 1 1 97 97 TYR CA C 97 55.750 55.750 56.885 -1.135 19151 5124 1 7 . 1 1 97 97 TYR CB C 97 39.820 39.820 40.115 -0.295 19151 5125 1 7 . 1 1 97 97 TYR H H 97 7.664 7.664 7.722 -0.058 19151 5126 1 7 . 1 1 98 98 VAL N N 98 116.952 116.952 116.503 0.449 19151 5127 1 7 . 1 1 98 98 VAL HA H 98 4.060 4.060 4.071 -0.011 19151 5128 1 7 . 1 1 98 98 VAL C C 98 175.969 175.969 176.648 -0.679 19151 5129 1 7 . 1 1 98 98 VAL CA C 98 62.840 62.840 62.956 -0.116 19151 5130 1 7 . 1 1 98 98 VAL CB C 98 32.600 32.600 33.176 -0.576 19151 5131 1 7 . 1 1 98 98 VAL H H 98 7.970 7.970 8.364 -0.394 19151 5132 1 7 . 1 1 99 99 ASN N N 99 118.156 118.156 115.364 2.792 19151 5133 1 7 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.364 0.147 19151 5134 1 7 . 1 1 99 99 ASN C C 99 174.329 174.329 176.291 -1.962 19151 5135 1 7 . 1 1 99 99 ASN CA C 99 53.031 53.031 54.515 -1.484 19151 5136 1 7 . 1 1 99 99 ASN CB C 99 37.238 37.238 37.420 -0.182 19151 5137 1 7 . 1 1 99 99 ASN H H 99 8.296 8.296 8.633 -0.337 19151 5138 1 7 . 1 1 100 100 PHE N N 100 118.649 118.649 119.939 -1.290 19151 5139 1 7 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.047 0.368 19151 5140 1 7 . 1 1 100 100 PHE C C 100 174.400 174.400 175.770 -1.370 19151 5141 1 7 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.304 -3.114 19151 5142 1 7 . 1 1 100 100 PHE CB C 100 39.679 39.679 38.657 1.022 19151 5143 1 7 . 1 1 100 100 PHE H H 100 7.855 7.855 8.623 -0.768 19151 5144 1 7 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.241 -0.656 19151 5145 1 7 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.561 5.179 19151 5146 1 7 . 1 1 101 101 CYS CB C 101 26.000 26.000 26.675 -0.675 19151 5147 1 7 . 1 1 101 101 CYS H H 101 9.240 9.240 7.988 1.252 19151 5148 1 7 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.409 -0.189 19151 5149 1 7 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.717 0.483 19151 5150 1 7 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.585 0.015 19151 5151 1 7 . 1 1 102 102 ASN H H 102 8.300 8.300 8.190 0.110 19151 5152 1 7 . 1 1 103 103 GLY C C 103 175.690 175.690 176.027 -0.337 19151 5153 1 7 . 1 1 103 103 GLY CA C 103 47.350 47.350 46.823 0.527 19151 5154 1 7 . 1 1 104 104 GLY N N 104 106.150 106.150 110.003 -3.853 19151 5155 1 7 . 1 1 104 104 GLY C C 104 174.570 174.570 176.259 -1.689 19151 5156 1 7 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.597 0.753 19151 5157 1 7 . 1 1 104 104 GLY H H 104 7.108 7.108 7.765 -0.657 19151 5158 1 7 . 1 1 105 105 LYS N N 105 120.732 120.732 122.271 -1.539 19151 5159 1 7 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.947 -0.010 19151 5160 1 7 . 1 1 105 105 LYS C C 105 179.706 179.706 178.966 0.740 19151 5161 1 7 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.982 0.326 19151 5162 1 7 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.204 -0.407 19151 5163 1 7 . 1 1 105 105 LYS H H 105 7.708 7.708 7.472 0.236 19151 5164 1 7 . 1 1 106 106 GLN N N 106 119.087 119.087 118.967 0.120 19151 5165 1 7 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.075 0.067 19151 5166 1 7 . 1 1 106 106 GLN C C 106 179.418 179.418 178.635 0.783 19151 5167 1 7 . 1 1 106 106 GLN CA C 106 58.875 58.875 59.295 -0.420 19151 5168 1 7 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.629 0.130 19151 5169 1 7 . 1 1 106 106 GLN H H 106 8.738 8.738 8.526 0.212 19151 5170 1 7 . 1 1 107 107 PHE N N 107 123.088 123.088 119.110 3.978 19151 5171 1 7 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.322 -0.072 19151 5172 1 7 . 1 1 107 107 PHE C C 107 178.403 178.403 177.618 0.785 19151 5173 1 7 . 1 1 107 107 PHE CA C 107 62.185 62.185 62.230 -0.045 19151 5174 1 7 . 1 1 107 107 PHE CB C 107 39.451 39.451 39.119 0.332 19151 5175 1 7 . 1 1 107 107 PHE H H 107 7.922 7.922 8.177 -0.255 19151 5176 1 7 . 1 1 108 108 ASP N N 108 117.118 117.118 120.496 -3.378 19151 5177 1 7 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.596 -0.222 19151 5178 1 7 . 1 1 108 108 ASP C C 108 176.973 176.973 178.265 -1.292 19151 5179 1 7 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.834 0.595 19151 5180 1 7 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.245 2.878 19151 5181 1 7 . 1 1 108 108 ASP H H 108 8.305 8.305 8.554 -0.249 19151 5182 1 7 . 1 1 109 109 ALA N N 109 118.590 118.590 122.810 -4.220 19151 5183 1 7 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.120 -0.070 19151 5184 1 7 . 1 1 109 109 ALA C C 109 180.430 180.430 179.875 0.555 19151 5185 1 7 . 1 1 109 109 ALA CA C 109 55.196 55.196 54.961 0.235 19151 5186 1 7 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.342 -0.235 19151 5187 1 7 . 1 1 109 109 ALA H H 109 8.332 8.332 7.978 0.354 19151 5188 1 7 . 1 1 110 110 LEU N N 110 120.402 120.402 120.363 0.039 19151 5189 1 7 . 1 1 110 110 LEU HA H 110 4.085 4.085 4.072 0.013 19151 5190 1 7 . 1 1 110 110 LEU C C 110 177.801 177.801 179.038 -1.237 19151 5191 1 7 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.513 0.127 19151 5192 1 7 . 1 1 110 110 LEU CB C 110 41.756 41.756 41.010 0.746 19151 5193 1 7 . 1 1 110 110 LEU H H 110 7.868 7.868 7.543 0.325 19151 5194 1 7 . 1 1 111 111 LEU N N 111 116.945 116.945 117.324 -0.379 19151 5195 1 7 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.800 -0.082 19151 5196 1 7 . 1 1 111 111 LEU C C 111 179.838 179.838 179.421 0.417 19151 5197 1 7 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.854 0.111 19151 5198 1 7 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.373 -2.513 19151 5199 1 7 . 1 1 111 111 LEU H H 111 7.704 7.704 7.554 0.150 19151 5200 1 7 . 1 1 112 112 GLN N N 112 118.484 118.484 116.531 1.953 19151 5201 1 7 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.120 0.021 19151 5202 1 7 . 1 1 112 112 GLN C C 112 181.218 181.218 178.208 3.010 19151 5203 1 7 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.736 1.230 19151 5204 1 7 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.295 0.965 19151 5205 1 7 . 1 1 112 112 GLN H H 112 8.441 8.441 7.689 0.752 19151 5206 1 7 . 1 1 113 113 GLU N N 113 122.905 122.905 118.152 4.753 19151 5207 1 7 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.126 0.055 19151 5208 1 7 . 1 1 113 113 GLU C C 113 178.001 178.001 177.337 0.664 19151 5209 1 7 . 1 1 113 113 GLU CA C 113 58.985 58.985 58.150 0.835 19151 5210 1 7 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.468 -0.198 19151 5211 1 7 . 1 1 113 113 GLU H H 113 8.305 8.305 7.960 0.345 19151 5212 1 7 . 1 1 114 114 GLN N N 114 117.332 117.332 119.321 -1.989 19151 5213 1 7 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.295 0.300 19151 5214 1 7 . 1 1 114 114 GLN C C 114 174.538 174.538 177.109 -2.571 19151 5215 1 7 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.398 -0.981 19151 5216 1 7 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.344 -4.514 19151 5217 1 7 . 1 1 114 114 GLN H H 114 7.520 7.520 7.444 0.075 19151 5218 1 7 . 1 1 115 115 SER N N 115 109.100 109.100 110.222 -1.122 19151 5219 1 7 . 1 1 115 115 SER HA H 115 4.200 4.200 4.428 -0.228 19151 5220 1 7 . 1 1 115 115 SER C C 115 172.302 172.302 173.144 -0.842 19151 5221 1 7 . 1 1 115 115 SER CA C 115 60.400 60.400 58.060 2.340 19151 5222 1 7 . 1 1 115 115 SER CB C 115 61.325 61.325 64.079 -2.754 19151 5223 1 7 . 1 1 115 115 SER H H 115 7.950 7.950 8.017 -0.067 19151 5224 1 7 . 1 1 116 116 ALA N N 116 121.059 121.059 125.385 -4.326 19151 5225 1 7 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.316 0.478 19151 5226 1 7 . 1 1 116 116 ALA C C 116 176.774 176.774 176.413 0.361 19151 5227 1 7 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.433 -0.743 19151 5228 1 7 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.393 0.972 19151 5229 1 7 . 1 1 116 116 ALA H H 116 7.813 7.813 7.846 -0.033 19151 5230 1 7 . 1 1 117 117 GLN N N 117 118.000 118.000 119.791 -1.791 19151 5231 1 7 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.540 0.078 19151 5232 1 7 . 1 1 117 117 GLN C C 117 173.769 173.769 175.865 -2.096 19151 5233 1 7 . 1 1 117 117 GLN CA C 117 54.556 54.556 55.383 -0.827 19151 5234 1 7 . 1 1 117 117 GLN CB C 117 30.735 30.735 30.701 0.034 19151 5235 1 7 . 1 1 117 117 GLN H H 117 8.591 8.591 8.695 -0.104 19151 5236 1 7 . 1 1 118 118 ARG N N 118 127.947 127.947 120.321 7.626 19151 5237 1 7 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.196 -1.888 19151 5238 1 7 . 1 1 118 118 ARG C C 118 176.758 176.758 175.650 1.108 19151 5239 1 7 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.812 1.374 19151 5240 1 7 . 1 1 118 118 ARG CB C 118 30.310 30.310 33.103 -2.793 19151 5241 1 7 . 1 1 118 118 ARG H H 118 8.659 8.659 8.566 0.093 19151 5242 1 7 . 1 1 119 119 VAL N N 119 131.939 131.939 122.380 9.559 19151 5243 1 7 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.357 -0.244 19151 5244 1 7 . 1 1 119 119 VAL C C 119 176.775 176.775 176.172 0.603 19151 5245 1 7 . 1 1 119 119 VAL CA C 119 62.174 62.174 60.846 1.328 19151 5246 1 7 . 1 1 119 119 VAL CB C 119 32.394 32.394 34.053 -1.659 19151 5247 1 7 . 1 1 119 119 VAL H H 119 9.520 9.520 8.887 0.633 19151 5248 1 7 . 1 1 120 120 GLY N N 120 116.074 116.074 116.103 -0.029 19151 5249 1 7 . 1 1 120 120 GLY C C 120 172.757 172.757 173.309 -0.552 19151 5250 1 7 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.646 -1.748 19151 5251 1 7 . 1 1 120 120 GLY H H 120 8.755 8.755 8.555 0.200 19151 5252 1 7 . 1 1 121 121 GLU N N 121 118.754 118.754 119.962 -1.208 19151 5253 1 7 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.634 0.032 19151 5254 1 7 . 1 1 121 121 GLU C C 121 177.419 177.419 176.397 1.022 19151 5255 1 7 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.415 0.076 19151 5256 1 7 . 1 1 121 121 GLU CB C 121 31.498 31.498 31.943 -0.445 19151 5257 1 7 . 1 1 121 121 GLU H H 121 8.594 8.594 8.541 0.053 19151 5258 1 7 . 1 1 122 122 MET N N 122 122.642 122.642 121.080 1.562 19151 5259 1 7 . 1 1 122 122 MET HA H 122 4.415 4.415 4.923 -0.508 19151 5260 1 7 . 1 1 122 122 MET C C 122 175.351 175.351 175.153 0.198 19151 5261 1 7 . 1 1 122 122 MET CA C 122 57.024 57.024 55.242 1.782 19151 5262 1 7 . 1 1 122 122 MET CB C 122 34.210 34.210 33.086 1.124 19151 5263 1 7 . 1 1 122 122 MET H H 122 8.892 8.892 8.658 0.234 19151 5264 1 7 . 1 1 123 123 LEU N N 123 129.535 129.535 123.192 6.343 19151 5265 1 7 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.475 -0.125 19151 5266 1 7 . 1 1 123 123 LEU C C 123 173.124 173.124 174.305 -1.181 19151 5267 1 7 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.208 0.531 19151 5268 1 7 . 1 1 123 123 LEU CB C 123 41.078 41.078 43.034 -1.956 19151 5269 1 7 . 1 1 123 123 LEU H H 123 7.868 7.868 7.794 0.074 19151 5270 1 7 . 1 1 124 124 LEU N N 124 127.120 127.120 126.492 0.628 19151 5271 1 7 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.717 0.338 19151 5272 1 7 . 1 1 124 124 LEU C C 124 176.379 176.379 176.213 0.166 19151 5273 1 7 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.225 0.325 19151 5274 1 7 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.571 -1.193 19151 5275 1 7 . 1 1 124 124 LEU H H 124 8.346 8.346 8.313 0.033 19151 5276 1 7 . 1 1 125 125 ILE N N 125 124.337 124.337 125.789 -1.452 19151 5277 1 7 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.216 -0.036 19151 5278 1 7 . 1 1 125 125 ILE C C 125 174.303 174.303 174.840 -0.537 19151 5279 1 7 . 1 1 125 125 ILE CA C 125 61.100 61.100 61.270 -0.170 19151 5280 1 7 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.283 -0.340 19151 5281 1 7 . 1 1 125 125 ILE H H 125 8.974 8.974 8.819 0.155 19151 5282 1 7 . 1 1 126 126 ASP N N 126 127.113 127.113 128.075 -0.962 19151 5283 1 7 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.552 -0.437 19151 5284 1 7 . 1 1 126 126 ASP C C 126 176.766 176.766 176.622 0.144 19151 5285 1 7 . 1 1 126 126 ASP CA C 126 51.847 51.847 51.517 0.330 19151 5286 1 7 . 1 1 126 126 ASP CB C 126 41.100 41.100 39.787 1.313 19151 5287 1 7 . 1 1 126 126 ASP H H 126 9.397 9.397 8.832 0.565 19151 5288 1 7 . 1 1 127 127 ALA N N 127 131.178 131.178 127.895 3.283 19151 5289 1 7 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.391 -0.075 19151 5290 1 7 . 1 1 127 127 ALA C C 127 178.530 178.530 178.628 -0.098 19151 5291 1 7 . 1 1 127 127 ALA CA C 127 53.847 53.847 53.990 -0.143 19151 5292 1 7 . 1 1 127 127 ALA CB C 127 18.792 18.792 18.959 -0.167 19151 5293 1 7 . 1 1 127 127 ALA H H 127 9.696 9.696 8.844 0.852 19151 5294 1 7 . 1 1 128 128 SER N N 128 112.064 112.064 112.859 -0.795 19151 5295 1 7 . 1 1 128 128 SER HA H 128 4.224 4.224 4.272 -0.048 19151 5296 1 7 . 1 1 128 128 SER C C 128 175.000 175.000 175.565 -0.565 19151 5297 1 7 . 1 1 128 128 SER CA C 128 61.246 61.246 60.784 0.462 19151 5298 1 7 . 1 1 128 128 SER CB C 128 63.310 63.310 63.405 -0.095 19151 5299 1 7 . 1 1 128 128 SER H H 128 8.373 8.373 8.512 -0.139 19151 5300 1 7 . 1 1 129 129 GLU N N 129 119.468 119.468 117.997 1.471 19151 5301 1 7 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.511 -0.111 19151 5302 1 7 . 1 1 129 129 GLU C C 129 175.947 175.947 175.981 -0.034 19151 5303 1 7 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.587 -0.173 19151 5304 1 7 . 1 1 129 129 GLU CB C 129 31.730 31.730 32.603 -0.873 19151 5305 1 7 . 1 1 129 129 GLU H H 129 7.267 7.267 7.869 -0.602 19151 5306 1 7 . 1 1 130 130 ASN N N 130 115.968 115.968 118.878 -2.910 19151 5307 1 7 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.146 0.020 19151 5308 1 7 . 1 1 130 130 ASN C C 130 172.000 172.000 174.002 -2.002 19151 5309 1 7 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.588 -0.365 19151 5310 1 7 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.970 -0.304 19151 5311 1 7 . 1 1 130 130 ASN H H 130 8.072 8.072 8.332 -0.260 19151 5312 1 7 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.510 0.040 19151 5313 1 7 . 1 1 131 131 PRO C C 131 176.400 176.400 176.125 0.275 19151 5314 1 7 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.818 -0.318 19151 5315 1 7 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.648 0.652 19151 5316 1 7 . 1 1 132 132 GLU N N 132 119.000 119.000 119.254 -0.254 19151 5317 1 7 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.809 0.211 19151 5318 1 7 . 1 1 132 132 GLU C C 132 174.200 174.200 175.203 -1.003 19151 5319 1 7 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.258 -0.258 19151 5320 1 7 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.387 0.312 19151 5321 1 7 . 1 1 132 132 GLU H H 132 7.690 7.690 8.061 -0.371 19151 5322 1 7 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.238 -0.238 19151 5323 1 7 . 1 1 133 133 PRO C C 133 177.391 177.391 178.178 -0.787 19151 5324 1 7 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.102 0.367 19151 5325 1 7 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.962 0.183 19151 5326 1 7 . 1 1 134 134 GLU N N 134 122.846 122.846 117.950 4.896 19151 5327 1 7 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.306 0.913 19151 5328 1 7 . 1 1 134 134 GLU C C 134 178.385 178.385 178.738 -0.353 19151 5329 1 7 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.098 -1.506 19151 5330 1 7 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.575 -1.984 19151 5331 1 7 . 1 1 134 134 GLU H H 134 10.707 10.707 8.804 1.903 19151 5332 1 7 . 1 1 135 135 THR N N 135 113.016 113.016 111.461 1.555 19151 5333 1 7 . 1 1 135 135 THR HA H 135 4.182 4.182 4.186 -0.004 19151 5334 1 7 . 1 1 135 135 THR C C 135 176.460 176.460 175.648 0.812 19151 5335 1 7 . 1 1 135 135 THR CA C 135 64.752 64.752 64.959 -0.207 19151 5336 1 7 . 1 1 135 135 THR CB C 135 69.248 69.248 68.876 0.372 19151 5337 1 7 . 1 1 135 135 THR H H 135 8.168 8.168 8.129 0.039 19151 5338 1 7 . 1 1 136 136 GLU N N 136 118.978 118.978 121.294 -2.316 19151 5339 1 7 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.498 0.066 19151 5340 1 7 . 1 1 136 136 GLU C C 136 178.370 178.370 178.500 -0.130 19151 5341 1 7 . 1 1 136 136 GLU CA C 136 56.913 56.913 57.895 -0.982 19151 5342 1 7 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.564 1.536 19151 5343 1 7 . 1 1 136 136 GLU H H 136 7.680 7.680 7.653 0.027 19151 5344 1 7 . 1 1 137 137 SER N N 137 116.501 116.501 115.918 0.583 19151 5345 1 7 . 1 1 137 137 SER HA H 137 4.033 4.033 4.257 -0.224 19151 5346 1 7 . 1 1 137 137 SER C C 137 175.670 175.670 176.680 -1.010 19151 5347 1 7 . 1 1 137 137 SER CA C 137 62.330 62.330 61.808 0.522 19151 5348 1 7 . 1 1 137 137 SER CB C 137 61.380 61.380 63.150 -1.770 19151 5349 1 7 . 1 1 137 137 SER H H 137 8.824 8.824 8.448 0.376 19151 5350 1 7 . 1 1 138 138 ASN N N 138 123.517 123.517 121.284 2.233 19151 5351 1 7 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.762 -0.171 19151 5352 1 7 . 1 1 138 138 ASN C C 138 175.700 175.700 175.422 0.278 19151 5353 1 7 . 1 1 138 138 ASN CA C 138 57.486 57.486 56.853 0.633 19151 5354 1 7 . 1 1 138 138 ASN CB C 138 34.253 34.253 36.003 -1.750 19151 5355 1 7 . 1 1 138 138 ASN H H 138 8.564 8.564 8.389 0.175 19151 5356 1 7 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.426 0.029 19151 5357 1 7 . 1 1 139 139 PRO C C 139 180.033 180.033 178.523 1.510 19151 5358 1 7 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.442 0.168 19151 5359 1 7 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.369 -0.834 19151 5360 1 7 . 1 1 140 140 TRP N N 140 119.700 119.700 121.859 -2.159 19151 5361 1 7 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.475 -0.142 19151 5362 1 7 . 1 1 140 140 TRP C C 140 179.195 179.195 178.112 1.083 19151 5363 1 7 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.903 0.277 19151 5364 1 7 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.471 1.280 19151 5365 1 7 . 1 1 140 140 TRP H H 140 7.057 7.057 7.510 -0.453 19151 5366 1 7 . 1 1 141 141 VAL N N 141 122.879 122.879 119.072 3.807 19151 5367 1 7 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.770 -0.034 19151 5368 1 7 . 1 1 141 141 VAL C C 141 177.416 177.416 178.602 -1.186 19151 5369 1 7 . 1 1 141 141 VAL CA C 141 66.716 66.716 66.801 -0.085 19151 5370 1 7 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.386 0.046 19151 5371 1 7 . 1 1 141 141 VAL H H 141 9.629 9.629 8.843 0.786 19151 5372 1 7 . 1 1 142 142 GLU N N 142 119.965 119.965 120.233 -0.268 19151 5373 1 7 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.900 -0.168 19151 5374 1 7 . 1 1 142 142 GLU C C 142 178.800 178.800 178.209 0.591 19151 5375 1 7 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.898 -0.566 19151 5376 1 7 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.811 -0.251 19151 5377 1 7 . 1 1 142 142 GLU H H 142 8.551 8.551 8.230 0.321 19151 5378 1 7 . 1 1 143 143 HIS N N 143 115.364 115.364 119.050 -3.686 19151 5379 1 7 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.212 0.078 19151 5380 1 7 . 1 1 143 143 HIS C C 143 177.840 177.840 176.947 0.893 19151 5381 1 7 . 1 1 143 143 HIS CA C 143 59.363 59.363 59.398 -0.035 19151 5382 1 7 . 1 1 143 143 HIS CB C 143 29.362 29.362 30.254 -0.892 19151 5383 1 7 . 1 1 143 143 HIS H H 143 7.380 7.380 7.979 -0.599 19151 5384 1 7 . 1 1 144 144 TRP N N 144 126.680 126.680 121.710 4.970 19151 5385 1 7 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.835 -0.501 19151 5386 1 7 . 1 1 144 144 TRP C C 144 178.200 178.200 178.348 -0.148 19151 5387 1 7 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.764 2.196 19151 5388 1 7 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.219 0.306 19151 5389 1 7 . 1 1 144 144 TRP H H 144 9.215 9.215 8.693 0.522 19151 5390 1 7 . 1 1 145 145 GLY N N 145 100.130 100.130 105.205 -5.075 19151 5391 1 7 . 1 1 145 145 GLY C C 145 177.391 177.391 175.400 1.991 19151 5392 1 7 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.294 -0.534 19151 5393 1 7 . 1 1 145 145 GLY H H 145 8.834 8.834 8.471 0.363 19151 5394 1 7 . 1 1 146 146 THR N N 146 110.831 110.831 113.976 -3.145 19151 5395 1 7 . 1 1 146 146 THR HA H 146 4.319 4.319 4.016 0.303 19151 5396 1 7 . 1 1 146 146 THR C C 146 175.574 175.574 175.617 -0.043 19151 5397 1 7 . 1 1 146 146 THR CA C 146 63.260 63.260 63.990 -0.730 19151 5398 1 7 . 1 1 146 146 THR CB C 146 69.660 69.660 68.394 1.266 19151 5399 1 7 . 1 1 146 146 THR H H 146 7.594 7.594 7.407 0.187 19151 5400 1 7 . 1 1 147 147 LEU N N 147 120.678 120.678 119.518 1.160 19151 5401 1 7 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.055 0.003 19151 5402 1 7 . 1 1 147 147 LEU C C 147 177.176 177.176 176.318 0.858 19151 5403 1 7 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.435 -1.121 19151 5404 1 7 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.298 -0.070 19151 5405 1 7 . 1 1 147 147 LEU H H 147 7.458 7.458 7.432 0.026 19151 5406 1 7 . 1 1 148 148 LEU N N 148 117.062 117.062 117.883 -0.821 19151 5407 1 7 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.861 -0.143 19151 5408 1 7 . 1 1 148 148 LEU C C 148 175.570 175.570 176.711 -1.141 19151 5409 1 7 . 1 1 148 148 LEU CA C 148 53.951 53.951 53.803 0.148 19151 5410 1 7 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.143 -1.543 19151 5411 1 7 . 1 1 148 148 LEU H H 148 6.482 6.482 6.770 -0.288 19151 5412 1 8 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.720 -0.491 19151 5413 1 8 . 1 1 2 2 ALA C C 2 173.315 173.315 174.655 -1.340 19151 5414 1 8 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.799 -0.219 19151 5415 1 8 . 1 1 2 2 ALA CB C 2 20.223 20.223 22.650 -2.427 19151 5416 1 8 . 1 1 3 3 GLU N N 3 121.874 121.874 119.567 2.307 19151 5417 1 8 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.430 -0.156 19151 5418 1 8 . 1 1 3 3 GLU C C 3 174.545 174.545 175.170 -0.625 19151 5419 1 8 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.307 0.543 19151 5420 1 8 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.510 -0.789 19151 5421 1 8 . 1 1 3 3 GLU H H 3 8.696 8.696 8.448 0.248 19151 5422 1 8 . 1 1 4 4 ILE N N 4 120.672 120.672 125.049 -4.377 19151 5423 1 8 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.643 0.466 19151 5424 1 8 . 1 1 4 4 ILE C C 4 175.463 175.463 174.878 0.585 19151 5425 1 8 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.142 -0.309 19151 5426 1 8 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.191 3.479 19151 5427 1 8 . 1 1 4 4 ILE H H 4 8.860 8.860 9.196 -0.336 19151 5428 1 8 . 1 1 5 5 GLY N N 5 119.310 119.310 114.824 4.486 19151 5429 1 8 . 1 1 5 5 GLY C C 5 171.260 171.260 172.969 -1.709 19151 5430 1 8 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.599 0.221 19151 5431 1 8 . 1 1 5 5 GLY H H 5 8.469 8.469 8.033 0.436 19151 5432 1 8 . 1 1 6 6 ILE N N 6 126.915 126.915 126.116 0.799 19151 5433 1 8 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.094 0.096 19151 5434 1 8 . 1 1 6 6 ILE C C 6 173.901 173.901 174.486 -0.585 19151 5435 1 8 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.652 -0.652 19151 5436 1 8 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.911 -1.911 19151 5437 1 8 . 1 1 6 6 ILE H H 6 9.056 9.056 9.278 -0.222 19151 5438 1 8 . 1 1 7 7 PHE N N 7 127.354 127.354 127.719 -0.365 19151 5439 1 8 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.223 -0.711 19151 5440 1 8 . 1 1 7 7 PHE C C 7 174.230 174.230 174.506 -0.276 19151 5441 1 8 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.497 1.913 19151 5442 1 8 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.825 0.902 19151 5443 1 8 . 1 1 7 7 PHE H H 7 8.960 8.960 9.637 -0.677 19151 5444 1 8 . 1 1 8 8 VAL N N 8 127.270 127.270 124.425 2.845 19151 5445 1 8 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.040 0.020 19151 5446 1 8 . 1 1 8 8 VAL C C 8 175.450 175.450 176.658 -1.208 19151 5447 1 8 . 1 1 8 8 VAL CA C 8 61.200 61.200 59.573 1.627 19151 5448 1 8 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.416 0.021 19151 5449 1 8 . 1 1 8 8 VAL H H 8 8.581 8.581 8.221 0.360 19151 5450 1 8 . 1 1 9 9 GLY N N 9 115.000 115.000 118.686 -3.686 19151 5451 1 8 . 1 1 9 9 GLY C C 9 173.150 173.150 173.303 -0.153 19151 5452 1 8 . 1 1 9 9 GLY CA C 9 45.000 45.000 45.390 -0.390 19151 5453 1 8 . 1 1 9 9 GLY H H 9 9.393 9.393 8.904 0.489 19151 5454 1 8 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.698 -0.003 19151 5455 1 8 . 1 1 12 12 TYR C C 12 176.560 176.560 175.277 1.283 19151 5456 1 8 . 1 1 12 12 TYR CA C 12 57.750 57.750 57.675 0.075 19151 5457 1 8 . 1 1 12 12 TYR CB C 12 38.000 38.000 41.288 -3.288 19151 5458 1 8 . 1 1 13 13 GLY N N 13 109.870 109.870 108.878 0.992 19151 5459 1 8 . 1 1 13 13 GLY C C 13 175.930 175.930 175.008 0.922 19151 5460 1 8 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.807 1.193 19151 5461 1 8 . 1 1 13 13 GLY H H 13 8.500 8.500 8.544 -0.044 19151 5462 1 8 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.040 0.190 19151 5463 1 8 . 1 1 17 17 LEU C C 17 179.210 179.210 178.594 0.616 19151 5464 1 8 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.783 0.617 19151 5465 1 8 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.650 -0.350 19151 5466 1 8 . 1 1 18 18 VAL N N 18 117.231 117.231 117.716 -0.485 19151 5467 1 8 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.661 -0.338 19151 5468 1 8 . 1 1 18 18 VAL C C 18 178.460 178.460 178.121 0.339 19151 5469 1 8 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.081 0.785 19151 5470 1 8 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.514 0.946 19151 5471 1 8 . 1 1 18 18 VAL H H 18 7.645 7.645 8.202 -0.557 19151 5472 1 8 . 1 1 19 19 ALA N N 19 121.820 121.820 122.024 -0.204 19151 5473 1 8 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.981 -0.165 19151 5474 1 8 . 1 1 19 19 ALA C C 19 178.180 178.180 179.426 -1.246 19151 5475 1 8 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.615 -0.039 19151 5476 1 8 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.074 1.926 19151 5477 1 8 . 1 1 19 19 ALA H H 19 8.010 8.010 7.777 0.233 19151 5478 1 8 . 1 1 20 20 GLU N N 20 118.960 118.960 118.365 0.595 19151 5479 1 8 . 1 1 20 20 GLU HA H 20 4.016 4.016 3.991 0.025 19151 5480 1 8 . 1 1 20 20 GLU C C 20 180.950 180.950 179.431 1.519 19151 5481 1 8 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.322 0.344 19151 5482 1 8 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.281 0.019 19151 5483 1 8 . 1 1 20 20 GLU H H 20 8.700 8.700 7.925 0.775 19151 5484 1 8 . 1 1 21 21 GLU N N 21 121.371 121.371 119.787 1.584 19151 5485 1 8 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.119 -0.075 19151 5486 1 8 . 1 1 21 21 GLU C C 21 179.419 179.419 178.872 0.547 19151 5487 1 8 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.220 0.090 19151 5488 1 8 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.359 0.202 19151 5489 1 8 . 1 1 21 21 GLU H H 21 8.632 8.632 8.064 0.568 19151 5490 1 8 . 1 1 22 22 ALA N N 22 121.329 121.329 122.942 -1.613 19151 5491 1 8 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.078 -0.020 19151 5492 1 8 . 1 1 22 22 ALA C C 22 178.823 178.823 179.399 -0.576 19151 5493 1 8 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.589 -0.912 19151 5494 1 8 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.169 -0.526 19151 5495 1 8 . 1 1 22 22 ALA H H 22 8.182 8.182 8.589 -0.407 19151 5496 1 8 . 1 1 23 23 GLU N N 23 119.035 119.035 119.135 -0.100 19151 5497 1 8 . 1 1 23 23 GLU HA H 23 3.404 3.404 3.992 -0.588 19151 5498 1 8 . 1 1 23 23 GLU C C 23 178.375 178.375 178.600 -0.225 19151 5499 1 8 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.743 0.565 19151 5500 1 8 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.627 -0.697 19151 5501 1 8 . 1 1 23 23 GLU H H 23 8.387 8.387 8.502 -0.115 19151 5502 1 8 . 1 1 24 24 ALA N N 24 122.207 122.207 121.887 0.320 19151 5503 1 8 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.111 -0.081 19151 5504 1 8 . 1 1 24 24 ALA C C 24 181.132 181.132 179.874 1.258 19151 5505 1 8 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.072 0.416 19151 5506 1 8 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.634 -0.634 19151 5507 1 8 . 1 1 24 24 ALA H H 24 7.535 7.535 7.593 -0.058 19151 5508 1 8 . 1 1 25 25 ILE N N 25 121.059 121.059 119.889 1.170 19151 5509 1 8 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.657 0.007 19151 5510 1 8 . 1 1 25 25 ILE C C 25 178.419 178.419 177.868 0.551 19151 5511 1 8 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.256 -1.148 19151 5512 1 8 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.179 0.784 19151 5513 1 8 . 1 1 25 25 ILE H H 25 7.800 7.800 8.552 -0.752 19151 5514 1 8 . 1 1 26 26 LEU N N 26 119.307 119.307 120.491 -1.184 19151 5515 1 8 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.149 0.027 19151 5516 1 8 . 1 1 26 26 LEU C C 26 179.863 179.863 179.733 0.130 19151 5517 1 8 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.307 -0.361 19151 5518 1 8 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.249 -0.109 19151 5519 1 8 . 1 1 26 26 LEU H H 26 8.509 8.509 8.603 -0.094 19151 5520 1 8 . 1 1 27 27 THR N N 27 117.830 117.830 116.064 1.766 19151 5521 1 8 . 1 1 27 27 THR HA H 27 4.524 4.524 4.292 0.232 19151 5522 1 8 . 1 1 27 27 THR C C 27 179.027 179.027 176.445 2.582 19151 5523 1 8 . 1 1 27 27 THR CA C 27 66.000 66.000 66.699 -0.699 19151 5524 1 8 . 1 1 27 27 THR CB C 27 68.600 68.600 68.690 -0.090 19151 5525 1 8 . 1 1 27 27 THR H H 27 8.796 8.796 8.440 0.356 19151 5526 1 8 . 1 1 28 28 ALA N N 28 126.313 126.313 122.972 3.341 19151 5527 1 8 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.149 0.056 19151 5528 1 8 . 1 1 28 28 ALA C C 28 179.360 179.360 179.647 -0.287 19151 5529 1 8 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.375 0.625 19151 5530 1 8 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.237 -0.587 19151 5531 1 8 . 1 1 28 28 ALA H H 28 7.832 7.832 7.987 -0.155 19151 5532 1 8 . 1 1 29 29 GLN N N 29 115.527 115.527 116.520 -0.993 19151 5533 1 8 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.131 -0.004 19151 5534 1 8 . 1 1 29 29 GLN C C 29 176.547 176.547 176.905 -0.358 19151 5535 1 8 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.972 -0.409 19151 5536 1 8 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.695 -0.285 19151 5537 1 8 . 1 1 29 29 GLN H H 29 7.353 7.353 8.192 -0.839 19151 5538 1 8 . 1 1 30 30 GLY N N 30 105.961 105.961 106.545 -0.584 19151 5539 1 8 . 1 1 30 30 GLY C C 30 174.785 174.785 173.255 1.530 19151 5540 1 8 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.508 -0.007 19151 5541 1 8 . 1 1 30 30 GLY H H 30 7.923 7.923 7.748 0.175 19151 5542 1 8 . 1 1 31 31 HIS N N 31 119.471 119.471 117.767 1.704 19151 5543 1 8 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.924 -0.089 19151 5544 1 8 . 1 1 31 31 HIS C C 31 174.665 174.665 173.760 0.905 19151 5545 1 8 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.485 1.357 19151 5546 1 8 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.869 0.132 19151 5547 1 8 . 1 1 31 31 HIS H H 31 7.558 7.558 8.148 -0.590 19151 5548 1 8 . 1 1 32 32 LYS N N 32 121.854 121.854 122.887 -1.033 19151 5549 1 8 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.420 0.303 19151 5550 1 8 . 1 1 32 32 LYS C C 32 174.466 174.466 174.828 -0.362 19151 5551 1 8 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.823 0.042 19151 5552 1 8 . 1 1 32 32 LYS CB C 32 32.960 32.960 31.609 1.351 19151 5553 1 8 . 1 1 32 32 LYS H H 32 8.665 8.665 8.705 -0.040 19151 5554 1 8 . 1 1 33 33 ALA N N 33 130.188 130.188 129.466 0.722 19151 5555 1 8 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.624 0.194 19151 5556 1 8 . 1 1 33 33 ALA C C 33 175.567 175.567 176.669 -1.102 19151 5557 1 8 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.606 -0.630 19151 5558 1 8 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.678 0.619 19151 5559 1 8 . 1 1 33 33 ALA H H 33 8.837 8.837 7.996 0.841 19151 5560 1 8 . 1 1 34 34 THR N N 34 117.164 117.164 117.761 -0.597 19151 5561 1 8 . 1 1 34 34 THR HA H 34 4.359 4.359 4.705 -0.346 19151 5562 1 8 . 1 1 34 34 THR C C 34 171.315 171.315 173.032 -1.717 19151 5563 1 8 . 1 1 34 34 THR CA C 34 61.840 61.840 61.515 0.325 19151 5564 1 8 . 1 1 34 34 THR CB C 34 71.800 71.800 72.616 -0.816 19151 5565 1 8 . 1 1 34 34 THR H H 34 7.826 7.826 8.804 -0.978 19151 5566 1 8 . 1 1 35 35 VAL N N 35 126.650 126.650 124.891 1.759 19151 5567 1 8 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.319 -0.136 19151 5568 1 8 . 1 1 35 35 VAL C C 35 174.675 174.675 175.290 -0.615 19151 5569 1 8 . 1 1 35 35 VAL CA C 35 61.928 61.928 62.139 -0.211 19151 5570 1 8 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.257 0.393 19151 5571 1 8 . 1 1 35 35 VAL H H 35 8.496 8.496 8.604 -0.108 19151 5572 1 8 . 1 1 36 36 PHE N N 36 127.630 127.630 127.155 0.475 19151 5573 1 8 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.688 -0.137 19151 5574 1 8 . 1 1 36 36 PHE C C 36 174.347 174.347 174.445 -0.098 19151 5575 1 8 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.492 0.990 19151 5576 1 8 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.720 -0.555 19151 5577 1 8 . 1 1 36 36 PHE H H 36 9.164 9.164 9.207 -0.043 19151 5578 1 8 . 1 1 37 37 GLU N N 37 123.516 123.516 123.793 -0.277 19151 5579 1 8 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.385 0.085 19151 5580 1 8 . 1 1 37 37 GLU C C 37 175.954 175.954 176.187 -0.233 19151 5581 1 8 . 1 1 37 37 GLU CA C 37 55.719 55.719 55.919 -0.200 19151 5582 1 8 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.826 0.634 19151 5583 1 8 . 1 1 37 37 GLU H H 37 8.455 8.455 8.637 -0.182 19151 5584 1 8 . 1 1 38 38 ASP N N 38 120.395 120.395 122.433 -2.038 19151 5585 1 8 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.375 0.458 19151 5586 1 8 . 1 1 38 38 ASP C C 38 173.920 173.920 174.512 -0.592 19151 5587 1 8 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.172 0.305 19151 5588 1 8 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.637 -0.033 19151 5589 1 8 . 1 1 38 38 ASP H H 38 9.602 9.602 8.240 1.362 19151 5590 1 8 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.593 0.087 19151 5591 1 8 . 1 1 39 39 PRO C C 39 176.274 176.274 176.337 -0.063 19151 5592 1 8 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.118 -0.134 19151 5593 1 8 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.960 1.440 19151 5594 1 8 . 1 1 40 40 GLU N N 40 119.026 119.026 120.325 -1.299 19151 5595 1 8 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.667 0.061 19151 5596 1 8 . 1 1 40 40 GLU C C 40 177.827 177.827 178.389 -0.562 19151 5597 1 8 . 1 1 40 40 GLU CA C 40 53.970 53.970 53.987 -0.017 19151 5598 1 8 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.439 1.961 19151 5599 1 8 . 1 1 40 40 GLU H H 40 9.178 9.178 8.924 0.254 19151 5600 1 8 . 1 1 41 41 LEU N N 41 123.708 123.708 123.919 -0.211 19151 5601 1 8 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.285 -0.391 19151 5602 1 8 . 1 1 41 41 LEU C C 41 178.730 178.730 177.483 1.247 19151 5603 1 8 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.466 0.941 19151 5604 1 8 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.615 0.038 19151 5605 1 8 . 1 1 41 41 LEU H H 41 9.160 9.160 8.642 0.518 19151 5606 1 8 . 1 1 42 42 SER N N 42 110.500 110.500 112.350 -1.850 19151 5607 1 8 . 1 1 42 42 SER HA H 42 4.010 4.010 4.258 -0.248 19151 5608 1 8 . 1 1 42 42 SER C C 42 176.300 176.300 175.388 0.912 19151 5609 1 8 . 1 1 42 42 SER CA C 42 61.600 61.600 60.648 0.952 19151 5610 1 8 . 1 1 42 42 SER CB C 42 62.140 62.140 62.763 -0.623 19151 5611 1 8 . 1 1 42 42 SER H H 42 8.415 8.415 8.400 0.015 19151 5612 1 8 . 1 1 43 43 ASP N N 43 119.770 119.770 121.630 -1.860 19151 5613 1 8 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.608 -0.151 19151 5614 1 8 . 1 1 43 43 ASP C C 43 176.150 176.150 176.215 -0.065 19151 5615 1 8 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.544 1.206 19151 5616 1 8 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.894 1.806 19151 5617 1 8 . 1 1 43 43 ASP H H 43 7.690 7.690 8.038 -0.348 19151 5618 1 8 . 1 1 44 44 TRP N N 44 118.500 118.500 121.132 -2.632 19151 5619 1 8 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.642 -0.432 19151 5620 1 8 . 1 1 44 44 TRP C C 44 177.150 177.150 177.657 -0.507 19151 5621 1 8 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.457 0.930 19151 5622 1 8 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.589 -0.279 19151 5623 1 8 . 1 1 44 44 TRP H H 44 7.464 7.464 7.366 0.098 19151 5624 1 8 . 1 1 45 45 LEU N N 45 114.100 114.100 120.753 -6.653 19151 5625 1 8 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.048 0.127 19151 5626 1 8 . 1 1 45 45 LEU C C 45 176.300 176.300 175.802 0.498 19151 5627 1 8 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.214 -0.654 19151 5628 1 8 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.344 -0.124 19151 5629 1 8 . 1 1 45 45 LEU H H 45 7.550 7.550 8.261 -0.711 19151 5630 1 8 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.174 0.206 19151 5631 1 8 . 1 1 46 46 PRO C C 46 176.799 176.799 177.022 -0.223 19151 5632 1 8 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.695 0.592 19151 5633 1 8 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.333 0.267 19151 5634 1 8 . 1 1 47 47 TYR N N 47 113.790 113.790 114.147 -0.357 19151 5635 1 8 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.606 -0.486 19151 5636 1 8 . 1 1 47 47 TYR C C 47 175.730 175.730 176.917 -1.187 19151 5637 1 8 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.289 1.911 19151 5638 1 8 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.701 0.315 19151 5639 1 8 . 1 1 47 47 TYR H H 47 8.291 8.291 7.982 0.309 19151 5640 1 8 . 1 1 48 48 GLN N N 48 116.524 116.524 120.277 -3.753 19151 5641 1 8 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.910 -0.025 19151 5642 1 8 . 1 1 48 48 GLN C C 48 174.381 174.381 175.815 -1.434 19151 5643 1 8 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.832 -0.006 19151 5644 1 8 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.861 2.139 19151 5645 1 8 . 1 1 48 48 GLN H H 48 7.300 7.300 7.555 -0.255 19151 5646 1 8 . 1 1 49 49 ASP N N 49 114.657 114.657 112.003 2.654 19151 5647 1 8 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.686 0.001 19151 5648 1 8 . 1 1 49 49 ASP C C 49 176.307 176.307 175.909 0.398 19151 5649 1 8 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.611 -1.876 19151 5650 1 8 . 1 1 49 49 ASP CB C 49 40.200 40.200 40.763 -0.563 19151 5651 1 8 . 1 1 49 49 ASP H H 49 7.854 7.854 8.326 -0.472 19151 5652 1 8 . 1 1 50 50 LYS N N 50 123.514 123.514 119.363 4.151 19151 5653 1 8 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.622 -0.032 19151 5654 1 8 . 1 1 50 50 LYS C C 50 172.964 172.964 174.886 -1.922 19151 5655 1 8 . 1 1 50 50 LYS CA C 50 54.693 54.693 54.546 0.147 19151 5656 1 8 . 1 1 50 50 LYS CB C 50 33.500 33.500 35.397 -1.897 19151 5657 1 8 . 1 1 50 50 LYS H H 50 7.833 7.833 7.637 0.196 19151 5658 1 8 . 1 1 51 51 TYR N N 51 118.375 118.375 115.986 2.389 19151 5659 1 8 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.731 0.324 19151 5660 1 8 . 1 1 51 51 TYR C C 51 175.875 175.875 176.226 -0.351 19151 5661 1 8 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.397 1.024 19151 5662 1 8 . 1 1 51 51 TYR CB C 51 42.477 42.477 40.686 1.791 19151 5663 1 8 . 1 1 51 51 TYR H H 51 7.745 7.745 8.017 -0.272 19151 5664 1 8 . 1 1 52 52 VAL N N 52 112.527 112.527 114.447 -1.920 19151 5665 1 8 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.957 0.543 19151 5666 1 8 . 1 1 52 52 VAL C C 52 173.910 173.910 174.094 -0.184 19151 5667 1 8 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.473 -1.777 19151 5668 1 8 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.427 1.065 19151 5669 1 8 . 1 1 52 52 VAL H H 52 8.673 8.673 8.394 0.279 19151 5670 1 8 . 1 1 53 53 LEU N N 53 124.294 124.294 123.812 0.482 19151 5671 1 8 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.239 -0.339 19151 5672 1 8 . 1 1 53 53 LEU C C 53 175.070 175.070 174.440 0.630 19151 5673 1 8 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.561 -0.995 19151 5674 1 8 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.264 -1.034 19151 5675 1 8 . 1 1 53 53 LEU H H 53 9.137 9.137 9.253 -0.116 19151 5676 1 8 . 1 1 54 54 VAL N N 54 127.850 127.850 127.594 0.256 19151 5677 1 8 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.666 -0.156 19151 5678 1 8 . 1 1 54 54 VAL C C 54 174.030 174.030 174.510 -0.480 19151 5679 1 8 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.365 0.460 19151 5680 1 8 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.346 -0.655 19151 5681 1 8 . 1 1 54 54 VAL H H 54 8.619 8.619 9.152 -0.533 19151 5682 1 8 . 1 1 55 55 VAL N N 55 127.181 127.181 128.308 -1.127 19151 5683 1 8 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.830 0.255 19151 5684 1 8 . 1 1 55 55 VAL C C 55 174.942 174.942 174.497 0.445 19151 5685 1 8 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.815 -0.746 19151 5686 1 8 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.109 0.113 19151 5687 1 8 . 1 1 55 55 VAL H H 55 8.578 8.578 8.952 -0.374 19151 5688 1 8 . 1 1 56 56 THR N N 56 117.420 117.420 121.309 -3.889 19151 5689 1 8 . 1 1 56 56 THR HA H 56 5.590 5.590 4.642 0.948 19151 5690 1 8 . 1 1 56 56 THR C C 56 172.640 172.640 172.455 0.185 19151 5691 1 8 . 1 1 56 56 THR CA C 56 59.359 59.359 60.725 -1.366 19151 5692 1 8 . 1 1 56 56 THR CB C 56 70.715 70.715 70.582 0.133 19151 5693 1 8 . 1 1 56 56 THR H H 56 8.710 8.710 8.838 -0.128 19151 5694 1 8 . 1 1 57 57 SER HA H 57 5.250 5.250 4.877 0.373 19151 5695 1 8 . 1 1 57 57 SER CA C 57 57.730 57.730 56.531 1.199 19151 5696 1 8 . 1 1 57 57 SER CB C 57 64.500 64.500 64.103 0.397 19151 5697 1 8 . 1 1 57 57 SER H H 57 8.075 8.075 8.757 -0.682 19151 5698 1 8 . 1 1 58 58 THR H H 58 7.900 7.900 8.766 -0.866 19151 5699 1 8 . 1 1 59 59 THR HA H 59 4.900 4.900 3.881 1.019 19151 5700 1 8 . 1 1 59 59 THR CA C 59 61.200 61.200 65.466 -4.266 19151 5701 1 8 . 1 1 59 59 THR CB C 59 73.400 73.400 68.461 4.939 19151 5702 1 8 . 1 1 59 59 THR H H 59 9.230 9.230 8.232 0.998 19151 5703 1 8 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.701 0.799 19151 5704 1 8 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.259 0.147 19151 5705 1 8 . 1 1 61 61 GLN C C 61 175.950 175.950 176.222 -0.272 19151 5706 1 8 . 1 1 61 61 GLN CA C 61 55.350 55.350 55.383 -0.034 19151 5707 1 8 . 1 1 61 61 GLN CB C 61 29.160 29.160 27.988 1.172 19151 5708 1 8 . 1 1 62 62 GLY N N 62 108.420 108.420 107.798 0.622 19151 5709 1 8 . 1 1 62 62 GLY C C 62 173.134 173.134 173.499 -0.365 19151 5710 1 8 . 1 1 62 62 GLY CA C 62 45.784 45.784 45.193 0.591 19151 5711 1 8 . 1 1 62 62 GLY H H 62 8.073 8.073 7.801 0.272 19151 5712 1 8 . 1 1 63 63 ASP N N 63 118.400 118.400 119.143 -0.743 19151 5713 1 8 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.894 -0.114 19151 5714 1 8 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.169 1.127 19151 5715 1 8 . 1 1 63 63 ASP CB C 63 42.740 42.740 43.895 -1.155 19151 5716 1 8 . 1 1 63 63 ASP H H 63 7.248 7.248 8.271 -1.023 19151 5717 1 8 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.631 -0.231 19151 5718 1 8 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.505 1.645 19151 5719 1 8 . 1 1 64 64 LEU CB C 64 41.687 41.687 43.511 -1.824 19151 5720 1 8 . 1 1 64 64 LEU H H 64 8.445 8.445 8.043 0.402 19151 5721 1 8 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.512 -0.219 19151 5722 1 8 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.140 0.204 19151 5723 1 8 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.828 -0.348 19151 5724 1 8 . 1 1 66 66 ASP N N 66 121.200 121.200 120.492 0.708 19151 5725 1 8 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.387 -0.127 19151 5726 1 8 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.374 1.256 19151 5727 1 8 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.961 -0.161 19151 5728 1 8 . 1 1 66 66 ASP H H 66 8.605 8.605 8.734 -0.129 19151 5729 1 8 . 1 1 67 67 SER HA H 67 4.292 4.292 4.404 -0.112 19151 5730 1 8 . 1 1 67 67 SER C C 67 175.650 175.650 174.796 0.854 19151 5731 1 8 . 1 1 67 67 SER CA C 67 60.500 60.500 60.223 0.277 19151 5732 1 8 . 1 1 67 67 SER CB C 67 63.530 63.530 63.655 -0.125 19151 5733 1 8 . 1 1 68 68 ILE N N 68 120.550 120.550 121.209 -0.659 19151 5734 1 8 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.454 0.656 19151 5735 1 8 . 1 1 68 68 ILE C C 68 174.713 174.713 176.478 -1.765 19151 5736 1 8 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.862 -0.462 19151 5737 1 8 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.611 3.629 19151 5738 1 8 . 1 1 68 68 ILE H H 68 7.870 7.870 7.621 0.249 19151 5739 1 8 . 1 1 69 69 VAL N N 69 125.740 125.740 123.429 2.311 19151 5740 1 8 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.673 0.072 19151 5741 1 8 . 1 1 69 69 VAL C C 69 174.500 174.500 174.978 -0.478 19151 5742 1 8 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.589 -1.039 19151 5743 1 8 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.492 0.638 19151 5744 1 8 . 1 1 69 69 VAL H H 69 7.428 7.428 8.431 -1.003 19151 5745 1 8 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.293 -0.001 19151 5746 1 8 . 1 1 70 70 PRO C C 70 180.820 180.820 178.750 2.070 19151 5747 1 8 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.083 0.387 19151 5748 1 8 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.167 -0.510 19151 5749 1 8 . 1 1 71 71 LEU N N 71 119.467 119.467 120.702 -1.235 19151 5750 1 8 . 1 1 71 71 LEU HA H 71 3.845 3.845 3.978 -0.133 19151 5751 1 8 . 1 1 71 71 LEU C C 71 176.489 176.489 178.083 -1.594 19151 5752 1 8 . 1 1 71 71 LEU CA C 71 58.207 58.207 58.062 0.145 19151 5753 1 8 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.654 -0.168 19151 5754 1 8 . 1 1 71 71 LEU H H 71 7.918 7.918 7.722 0.196 19151 5755 1 8 . 1 1 72 72 PHE N N 72 119.361 119.361 119.265 0.096 19151 5756 1 8 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.298 -0.153 19151 5757 1 8 . 1 1 72 72 PHE C C 72 175.968 175.968 177.180 -1.212 19151 5758 1 8 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.695 0.126 19151 5759 1 8 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.678 0.869 19151 5760 1 8 . 1 1 72 72 PHE H H 72 7.903 7.903 8.652 -0.749 19151 5761 1 8 . 1 1 73 73 GLN N N 73 116.100 116.100 116.909 -0.809 19151 5762 1 8 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.674 -0.147 19151 5763 1 8 . 1 1 73 73 GLN C C 73 177.871 177.871 178.506 -0.635 19151 5764 1 8 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.716 -0.576 19151 5765 1 8 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.510 -0.363 19151 5766 1 8 . 1 1 73 73 GLN H H 73 9.042 9.042 8.797 0.245 19151 5767 1 8 . 1 1 74 74 GLY N N 74 107.110 107.110 108.611 -1.501 19151 5768 1 8 . 1 1 74 74 GLY C C 74 175.894 175.894 176.103 -0.209 19151 5769 1 8 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.804 0.476 19151 5770 1 8 . 1 1 74 74 GLY H H 74 8.045 8.045 7.975 0.070 19151 5771 1 8 . 1 1 75 75 ILE N N 75 123.629 123.629 122.844 0.785 19151 5772 1 8 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.381 -0.331 19151 5773 1 8 . 1 1 75 75 ILE C C 75 178.622 178.622 177.083 1.539 19151 5774 1 8 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.812 0.445 19151 5775 1 8 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.444 0.524 19151 5776 1 8 . 1 1 75 75 ILE H H 75 8.174 8.174 8.129 0.045 19151 5777 1 8 . 1 1 76 76 LYS N N 76 119.363 119.363 118.314 1.049 19151 5778 1 8 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.797 -0.492 19151 5779 1 8 . 1 1 76 76 LYS C C 76 177.909 177.909 178.249 -0.340 19151 5780 1 8 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.218 0.487 19151 5781 1 8 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.946 0.404 19151 5782 1 8 . 1 1 76 76 LYS H H 76 7.600 7.600 7.465 0.135 19151 5783 1 8 . 1 1 77 77 ASP N N 77 115.190 115.190 117.943 -2.753 19151 5784 1 8 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.639 -0.157 19151 5785 1 8 . 1 1 77 77 ASP C C 77 178.825 178.825 178.100 0.725 19151 5786 1 8 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.880 0.400 19151 5787 1 8 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.916 -0.726 19151 5788 1 8 . 1 1 77 77 ASP H H 77 8.482 8.482 8.248 0.234 19151 5789 1 8 . 1 1 78 78 SER N N 78 112.576 112.576 115.982 -3.406 19151 5790 1 8 . 1 1 78 78 SER HA H 78 4.728 4.728 4.410 0.318 19151 5791 1 8 . 1 1 78 78 SER C C 78 174.556 174.556 174.992 -0.436 19151 5792 1 8 . 1 1 78 78 SER CA C 78 60.045 60.045 60.464 -0.419 19151 5793 1 8 . 1 1 78 78 SER CB C 78 64.643 64.643 64.008 0.635 19151 5794 1 8 . 1 1 78 78 SER H H 78 8.273 8.273 7.925 0.348 19151 5795 1 8 . 1 1 79 79 LEU N N 79 120.833 120.833 120.920 -0.087 19151 5796 1 8 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.455 0.360 19151 5797 1 8 . 1 1 79 79 LEU C C 79 176.251 176.251 178.949 -2.698 19151 5798 1 8 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.336 -2.376 19151 5799 1 8 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.308 -3.112 19151 5800 1 8 . 1 1 79 79 LEU H H 79 7.025 7.025 7.495 -0.470 19151 5801 1 8 . 1 1 80 80 GLY N N 80 108.861 108.861 107.177 1.684 19151 5802 1 8 . 1 1 80 80 GLY C C 80 173.623 173.623 173.606 0.017 19151 5803 1 8 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.577 -0.348 19151 5804 1 8 . 1 1 80 80 GLY H H 80 7.499 7.499 8.220 -0.721 19151 5805 1 8 . 1 1 81 81 PHE N N 81 121.441 121.441 119.547 1.894 19151 5806 1 8 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.781 0.279 19151 5807 1 8 . 1 1 81 81 PHE C C 81 174.411 174.411 172.520 1.891 19151 5808 1 8 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.114 0.097 19151 5809 1 8 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.355 -0.735 19151 5810 1 8 . 1 1 81 81 PHE H H 81 8.018 8.018 7.515 0.503 19151 5811 1 8 . 1 1 82 82 GLN N N 82 126.480 126.480 122.934 3.546 19151 5812 1 8 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.582 0.308 19151 5813 1 8 . 1 1 82 82 GLN C C 82 172.700 172.700 173.264 -0.564 19151 5814 1 8 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.031 2.146 19151 5815 1 8 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.846 1.754 19151 5816 1 8 . 1 1 82 82 GLN H H 82 9.588 9.588 7.412 2.176 19151 5817 1 8 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.399 -0.026 19151 5818 1 8 . 1 1 83 83 PRO C C 83 178.163 178.163 176.715 1.448 19151 5819 1 8 . 1 1 83 83 PRO CA C 83 63.691 63.691 63.924 -0.233 19151 5820 1 8 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.802 -0.937 19151 5821 1 8 . 1 1 84 84 ASN N N 84 116.900 116.900 115.654 1.246 19151 5822 1 8 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.848 -0.079 19151 5823 1 8 . 1 1 84 84 ASN C C 84 173.332 173.332 173.747 -0.415 19151 5824 1 8 . 1 1 84 84 ASN CA C 84 52.560 52.560 53.069 -0.509 19151 5825 1 8 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.628 -1.368 19151 5826 1 8 . 1 1 84 84 ASN H H 84 8.578 8.578 8.366 0.212 19151 5827 1 8 . 1 1 85 85 LEU N N 85 124.380 124.380 123.201 1.179 19151 5828 1 8 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.540 -0.494 19151 5829 1 8 . 1 1 85 85 LEU C C 85 175.880 175.880 175.388 0.492 19151 5830 1 8 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.544 1.298 19151 5831 1 8 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.462 -1.163 19151 5832 1 8 . 1 1 85 85 LEU H H 85 7.240 7.240 7.686 -0.446 19151 5833 1 8 . 1 1 86 86 ARG N N 86 128.715 128.715 124.366 4.349 19151 5834 1 8 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.010 0.784 19151 5835 1 8 . 1 1 86 86 ARG C C 86 175.554 175.554 174.691 0.863 19151 5836 1 8 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.245 0.197 19151 5837 1 8 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.433 -1.560 19151 5838 1 8 . 1 1 86 86 ARG H H 86 7.732 7.732 8.303 -0.571 19151 5839 1 8 . 1 1 87 87 TYR N N 87 117.420 117.420 118.480 -1.060 19151 5840 1 8 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.607 1.158 19151 5841 1 8 . 1 1 87 87 TYR C C 87 172.931 172.931 173.323 -0.392 19151 5842 1 8 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.710 -1.449 19151 5843 1 8 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.498 3.440 19151 5844 1 8 . 1 1 87 87 TYR H H 87 8.783 8.783 8.706 0.077 19151 5845 1 8 . 1 1 88 88 GLY N N 88 107.765 107.765 106.087 1.678 19151 5846 1 8 . 1 1 88 88 GLY C C 88 172.621 172.621 171.313 1.308 19151 5847 1 8 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.850 1.011 19151 5848 1 8 . 1 1 88 88 GLY H H 88 8.905 8.905 8.620 0.285 19151 5849 1 8 . 1 1 89 89 VAL N N 89 118.180 118.180 116.645 1.535 19151 5850 1 8 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.919 0.082 19151 5851 1 8 . 1 1 89 89 VAL C C 89 172.939 172.939 174.010 -1.071 19151 5852 1 8 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.564 0.435 19151 5853 1 8 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.349 1.050 19151 5854 1 8 . 1 1 89 89 VAL H H 89 7.499 7.499 8.130 -0.631 19151 5855 1 8 . 1 1 90 90 ILE N N 90 125.000 125.000 124.370 0.630 19151 5856 1 8 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.047 0.080 19151 5857 1 8 . 1 1 90 90 ILE C C 90 173.099 173.099 173.876 -0.777 19151 5858 1 8 . 1 1 90 90 ILE CA C 90 60.488 60.488 60.041 0.447 19151 5859 1 8 . 1 1 90 90 ILE CB C 90 40.398 40.398 39.706 0.692 19151 5860 1 8 . 1 1 90 90 ILE H H 90 8.810 8.810 8.882 -0.072 19151 5861 1 8 . 1 1 91 91 ALA N N 91 129.036 129.036 129.811 -0.775 19151 5862 1 8 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.421 -0.095 19151 5863 1 8 . 1 1 91 91 ALA C C 91 174.000 174.000 175.789 -1.789 19151 5864 1 8 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.807 -0.807 19151 5865 1 8 . 1 1 91 91 ALA CB C 91 22.100 22.100 20.911 1.189 19151 5866 1 8 . 1 1 91 91 ALA H H 91 9.253 9.253 8.819 0.434 19151 5867 1 8 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.105 -0.174 19151 5868 1 8 . 1 1 92 92 LEU C C 92 177.366 177.366 176.342 1.024 19151 5869 1 8 . 1 1 92 92 LEU CA C 92 54.917 54.917 53.886 1.031 19151 5870 1 8 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.513 -3.113 19151 5871 1 8 . 1 1 93 93 GLY N N 93 110.663 110.663 106.730 3.933 19151 5872 1 8 . 1 1 93 93 GLY C C 93 172.029 172.029 171.951 0.078 19151 5873 1 8 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.552 0.178 19151 5874 1 8 . 1 1 93 93 GLY H H 93 8.687 8.687 8.424 0.263 19151 5875 1 8 . 1 1 94 94 ASP N N 94 119.304 119.304 120.634 -1.330 19151 5876 1 8 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.387 -0.127 19151 5877 1 8 . 1 1 94 94 ASP C C 94 176.978 176.978 177.257 -0.279 19151 5878 1 8 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.127 1.480 19151 5879 1 8 . 1 1 94 94 ASP CB C 94 43.000 43.000 41.648 1.352 19151 5880 1 8 . 1 1 94 94 ASP H H 94 8.129 8.129 8.626 -0.497 19151 5881 1 8 . 1 1 95 95 SER N N 95 123.897 123.897 123.597 0.300 19151 5882 1 8 . 1 1 95 95 SER HA H 95 3.895 3.895 4.352 -0.457 19151 5883 1 8 . 1 1 95 95 SER C C 95 175.243 175.243 175.410 -0.167 19151 5884 1 8 . 1 1 95 95 SER CA C 95 60.183 60.183 59.633 0.550 19151 5885 1 8 . 1 1 95 95 SER CB C 95 61.700 61.700 62.840 -1.140 19151 5886 1 8 . 1 1 95 95 SER H H 95 8.878 8.878 9.493 -0.615 19151 5887 1 8 . 1 1 96 96 SER N N 96 119.248 119.248 116.592 2.656 19151 5888 1 8 . 1 1 96 96 SER HA H 96 4.209 4.209 4.190 0.019 19151 5889 1 8 . 1 1 96 96 SER C C 96 173.900 173.900 175.207 -1.307 19151 5890 1 8 . 1 1 96 96 SER CA C 96 60.197 60.197 59.840 0.357 19151 5891 1 8 . 1 1 96 96 SER CB C 96 63.000 63.000 63.280 -0.280 19151 5892 1 8 . 1 1 96 96 SER H H 96 9.124 9.124 8.136 0.988 19151 5893 1 8 . 1 1 97 97 TYR N N 97 120.889 120.889 119.773 1.116 19151 5894 1 8 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.539 0.349 19151 5895 1 8 . 1 1 97 97 TYR C C 97 175.972 175.972 175.613 0.359 19151 5896 1 8 . 1 1 97 97 TYR CA C 97 55.750 55.750 57.896 -2.146 19151 5897 1 8 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.588 0.232 19151 5898 1 8 . 1 1 97 97 TYR H H 97 7.664 7.664 7.784 -0.120 19151 5899 1 8 . 1 1 98 98 VAL N N 98 116.952 116.952 117.947 -0.995 19151 5900 1 8 . 1 1 98 98 VAL HA H 98 4.060 4.060 4.019 0.041 19151 5901 1 8 . 1 1 98 98 VAL C C 98 175.969 175.969 175.971 -0.002 19151 5902 1 8 . 1 1 98 98 VAL CA C 98 62.840 62.840 62.377 0.463 19151 5903 1 8 . 1 1 98 98 VAL CB C 98 32.600 32.600 32.974 -0.374 19151 5904 1 8 . 1 1 98 98 VAL H H 98 7.970 7.970 8.269 -0.299 19151 5905 1 8 . 1 1 99 99 ASN N N 99 118.156 118.156 115.540 2.616 19151 5906 1 8 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.421 0.090 19151 5907 1 8 . 1 1 99 99 ASN C C 99 174.329 174.329 175.668 -1.339 19151 5908 1 8 . 1 1 99 99 ASN CA C 99 53.031 53.031 54.411 -1.380 19151 5909 1 8 . 1 1 99 99 ASN CB C 99 37.238 37.238 36.961 0.277 19151 5910 1 8 . 1 1 99 99 ASN H H 99 8.296 8.296 8.627 -0.331 19151 5911 1 8 . 1 1 100 100 PHE N N 100 118.649 118.649 118.020 0.629 19151 5912 1 8 . 1 1 100 100 PHE HA H 100 4.415 4.415 3.938 0.477 19151 5913 1 8 . 1 1 100 100 PHE C C 100 174.400 174.400 175.352 -0.952 19151 5914 1 8 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.251 -3.061 19151 5915 1 8 . 1 1 100 100 PHE CB C 100 39.679 39.679 37.712 1.966 19151 5916 1 8 . 1 1 100 100 PHE H H 100 7.855 7.855 8.366 -0.511 19151 5917 1 8 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.240 -0.655 19151 5918 1 8 . 1 1 101 101 CYS CA C 101 62.740 62.740 56.117 6.623 19151 5919 1 8 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.256 -1.256 19151 5920 1 8 . 1 1 101 101 CYS H H 101 9.240 9.240 7.609 1.631 19151 5921 1 8 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.423 -0.203 19151 5922 1 8 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.769 0.431 19151 5923 1 8 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.217 0.383 19151 5924 1 8 . 1 1 102 102 ASN H H 102 8.300 8.300 8.829 -0.529 19151 5925 1 8 . 1 1 103 103 GLY C C 103 175.690 175.690 175.890 -0.200 19151 5926 1 8 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.014 0.336 19151 5927 1 8 . 1 1 104 104 GLY N N 104 106.150 106.150 109.123 -2.973 19151 5928 1 8 . 1 1 104 104 GLY C C 104 174.570 174.570 176.101 -1.531 19151 5929 1 8 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.046 1.304 19151 5930 1 8 . 1 1 104 104 GLY H H 104 7.108 7.108 7.715 -0.607 19151 5931 1 8 . 1 1 105 105 LYS N N 105 120.732 120.732 122.246 -1.514 19151 5932 1 8 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.994 -0.057 19151 5933 1 8 . 1 1 105 105 LYS C C 105 179.706 179.706 178.928 0.778 19151 5934 1 8 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.815 0.493 19151 5935 1 8 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.179 -0.382 19151 5936 1 8 . 1 1 105 105 LYS H H 105 7.708 7.708 7.461 0.247 19151 5937 1 8 . 1 1 106 106 GLN N N 106 119.087 119.087 117.579 1.508 19151 5938 1 8 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.188 -0.046 19151 5939 1 8 . 1 1 106 106 GLN C C 106 179.418 179.418 178.406 1.012 19151 5940 1 8 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.614 0.261 19151 5941 1 8 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.367 0.392 19151 5942 1 8 . 1 1 106 106 GLN H H 106 8.738 8.738 8.534 0.204 19151 5943 1 8 . 1 1 107 107 PHE N N 107 123.088 123.088 119.589 3.499 19151 5944 1 8 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.280 -0.030 19151 5945 1 8 . 1 1 107 107 PHE C C 107 178.403 178.403 177.709 0.694 19151 5946 1 8 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.809 0.377 19151 5947 1 8 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.945 0.506 19151 5948 1 8 . 1 1 107 107 PHE H H 107 7.922 7.922 7.851 0.071 19151 5949 1 8 . 1 1 108 108 ASP N N 108 117.118 117.118 120.330 -3.212 19151 5950 1 8 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.583 -0.209 19151 5951 1 8 . 1 1 108 108 ASP C C 108 176.973 176.973 178.063 -1.090 19151 5952 1 8 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.703 0.726 19151 5953 1 8 . 1 1 108 108 ASP CB C 108 44.123 44.123 40.979 3.144 19151 5954 1 8 . 1 1 108 108 ASP H H 108 8.305 8.305 8.158 0.147 19151 5955 1 8 . 1 1 109 109 ALA N N 109 118.590 118.590 122.567 -3.977 19151 5956 1 8 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.088 -0.038 19151 5957 1 8 . 1 1 109 109 ALA C C 109 180.430 180.430 179.710 0.720 19151 5958 1 8 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.063 0.133 19151 5959 1 8 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.356 -0.249 19151 5960 1 8 . 1 1 109 109 ALA H H 109 8.332 8.332 8.075 0.257 19151 5961 1 8 . 1 1 110 110 LEU N N 110 120.402 120.402 120.117 0.285 19151 5962 1 8 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.853 0.232 19151 5963 1 8 . 1 1 110 110 LEU C C 110 177.801 177.801 179.066 -1.265 19151 5964 1 8 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.571 0.070 19151 5965 1 8 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.877 0.879 19151 5966 1 8 . 1 1 110 110 LEU H H 110 7.868 7.868 7.715 0.153 19151 5967 1 8 . 1 1 111 111 LEU N N 111 116.945 116.945 117.271 -0.326 19151 5968 1 8 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.836 -0.118 19151 5969 1 8 . 1 1 111 111 LEU C C 111 179.838 179.838 179.435 0.403 19151 5970 1 8 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.855 0.111 19151 5971 1 8 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.417 -2.558 19151 5972 1 8 . 1 1 111 111 LEU H H 111 7.704 7.704 7.386 0.318 19151 5973 1 8 . 1 1 112 112 GLN N N 112 118.484 118.484 117.209 1.275 19151 5974 1 8 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.132 0.009 19151 5975 1 8 . 1 1 112 112 GLN C C 112 181.218 181.218 178.518 2.700 19151 5976 1 8 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.950 1.016 19151 5977 1 8 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.069 1.191 19151 5978 1 8 . 1 1 112 112 GLN H H 112 8.441 8.441 7.723 0.718 19151 5979 1 8 . 1 1 113 113 GLU N N 113 122.905 122.905 118.568 4.337 19151 5980 1 8 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.115 0.066 19151 5981 1 8 . 1 1 113 113 GLU C C 113 178.001 178.001 177.856 0.145 19151 5982 1 8 . 1 1 113 113 GLU CA C 113 58.985 58.985 58.356 0.629 19151 5983 1 8 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.370 -0.100 19151 5984 1 8 . 1 1 113 113 GLU H H 113 8.305 8.305 8.049 0.256 19151 5985 1 8 . 1 1 114 114 GLN N N 114 117.332 117.332 117.357 -0.025 19151 5986 1 8 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.298 0.297 19151 5987 1 8 . 1 1 114 114 GLN C C 114 174.538 174.538 177.042 -2.504 19151 5988 1 8 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.709 -1.292 19151 5989 1 8 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.031 -4.201 19151 5990 1 8 . 1 1 114 114 GLN H H 114 7.520 7.520 7.538 -0.018 19151 5991 1 8 . 1 1 115 115 SER N N 115 109.100 109.100 109.342 -0.242 19151 5992 1 8 . 1 1 115 115 SER HA H 115 4.200 4.200 4.463 -0.263 19151 5993 1 8 . 1 1 115 115 SER C C 115 172.302 172.302 173.041 -0.739 19151 5994 1 8 . 1 1 115 115 SER CA C 115 60.400 60.400 58.530 1.870 19151 5995 1 8 . 1 1 115 115 SER CB C 115 61.325 61.325 64.978 -3.654 19151 5996 1 8 . 1 1 115 115 SER H H 115 7.950 7.950 8.096 -0.146 19151 5997 1 8 . 1 1 116 116 ALA N N 116 121.059 121.059 124.939 -3.880 19151 5998 1 8 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.344 0.450 19151 5999 1 8 . 1 1 116 116 ALA C C 116 176.774 176.774 176.381 0.393 19151 6000 1 8 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.173 -0.483 19151 6001 1 8 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.378 0.987 19151 6002 1 8 . 1 1 116 116 ALA H H 116 7.813 7.813 7.897 -0.084 19151 6003 1 8 . 1 1 117 117 GLN N N 117 118.000 118.000 119.960 -1.960 19151 6004 1 8 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.479 0.139 19151 6005 1 8 . 1 1 117 117 GLN C C 117 173.769 173.769 175.832 -2.063 19151 6006 1 8 . 1 1 117 117 GLN CA C 117 54.556 54.556 55.683 -1.127 19151 6007 1 8 . 1 1 117 117 GLN CB C 117 30.735 30.735 30.607 0.128 19151 6008 1 8 . 1 1 117 117 GLN H H 117 8.591 8.591 8.814 -0.223 19151 6009 1 8 . 1 1 118 118 ARG N N 118 127.947 127.947 119.780 8.167 19151 6010 1 8 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.146 -1.838 19151 6011 1 8 . 1 1 118 118 ARG C C 118 176.758 176.758 175.200 1.558 19151 6012 1 8 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.681 1.506 19151 6013 1 8 . 1 1 118 118 ARG CB C 118 30.310 30.310 33.713 -3.403 19151 6014 1 8 . 1 1 118 118 ARG H H 118 8.659 8.659 8.503 0.156 19151 6015 1 8 . 1 1 119 119 VAL N N 119 131.939 131.939 121.973 9.966 19151 6016 1 8 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.363 -0.250 19151 6017 1 8 . 1 1 119 119 VAL C C 119 176.775 176.775 176.099 0.676 19151 6018 1 8 . 1 1 119 119 VAL CA C 119 62.174 62.174 60.567 1.607 19151 6019 1 8 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.349 -0.954 19151 6020 1 8 . 1 1 119 119 VAL H H 119 9.520 9.520 8.755 0.765 19151 6021 1 8 . 1 1 120 120 GLY N N 120 116.074 116.074 116.832 -0.758 19151 6022 1 8 . 1 1 120 120 GLY C C 120 172.757 172.757 173.381 -0.624 19151 6023 1 8 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.319 -1.421 19151 6024 1 8 . 1 1 120 120 GLY H H 120 8.755 8.755 8.511 0.244 19151 6025 1 8 . 1 1 121 121 GLU N N 121 118.754 118.754 119.882 -1.128 19151 6026 1 8 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.798 -0.132 19151 6027 1 8 . 1 1 121 121 GLU C C 121 177.419 177.419 176.653 0.766 19151 6028 1 8 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.679 -0.188 19151 6029 1 8 . 1 1 121 121 GLU CB C 121 31.498 31.498 31.015 0.483 19151 6030 1 8 . 1 1 121 121 GLU H H 121 8.594 8.594 8.563 0.031 19151 6031 1 8 . 1 1 122 122 MET N N 122 122.642 122.642 121.105 1.537 19151 6032 1 8 . 1 1 122 122 MET HA H 122 4.415 4.415 4.779 -0.364 19151 6033 1 8 . 1 1 122 122 MET C C 122 175.351 175.351 175.367 -0.016 19151 6034 1 8 . 1 1 122 122 MET CA C 122 57.024 57.024 54.453 2.571 19151 6035 1 8 . 1 1 122 122 MET CB C 122 34.210 34.210 33.288 0.922 19151 6036 1 8 . 1 1 122 122 MET H H 122 8.892 8.892 8.563 0.329 19151 6037 1 8 . 1 1 123 123 LEU N N 123 129.535 129.535 122.692 6.843 19151 6038 1 8 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.363 -0.013 19151 6039 1 8 . 1 1 123 123 LEU C C 123 173.124 173.124 174.225 -1.101 19151 6040 1 8 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.546 0.193 19151 6041 1 8 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.551 -1.473 19151 6042 1 8 . 1 1 123 123 LEU H H 123 7.868 7.868 7.491 0.377 19151 6043 1 8 . 1 1 124 124 LEU N N 124 127.120 127.120 126.034 1.086 19151 6044 1 8 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.740 0.315 19151 6045 1 8 . 1 1 124 124 LEU C C 124 176.379 176.379 176.139 0.240 19151 6046 1 8 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.131 0.419 19151 6047 1 8 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.709 -1.331 19151 6048 1 8 . 1 1 124 124 LEU H H 124 8.346 8.346 8.166 0.180 19151 6049 1 8 . 1 1 125 125 ILE N N 125 124.337 124.337 124.733 -0.396 19151 6050 1 8 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.237 -0.057 19151 6051 1 8 . 1 1 125 125 ILE C C 125 174.303 174.303 174.496 -0.193 19151 6052 1 8 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.973 0.127 19151 6053 1 8 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.733 -0.790 19151 6054 1 8 . 1 1 125 125 ILE H H 125 8.974 8.974 8.679 0.295 19151 6055 1 8 . 1 1 126 126 ASP N N 126 127.113 127.113 128.005 -0.892 19151 6056 1 8 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.580 -0.465 19151 6057 1 8 . 1 1 126 126 ASP C C 126 176.766 176.766 176.576 0.190 19151 6058 1 8 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.085 -0.238 19151 6059 1 8 . 1 1 126 126 ASP CB C 126 41.100 41.100 42.241 -1.141 19151 6060 1 8 . 1 1 126 126 ASP H H 126 9.397 9.397 8.993 0.404 19151 6061 1 8 . 1 1 127 127 ALA N N 127 131.178 131.178 131.088 0.090 19151 6062 1 8 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.447 -0.131 19151 6063 1 8 . 1 1 127 127 ALA C C 127 178.530 178.530 178.857 -0.327 19151 6064 1 8 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.180 -0.333 19151 6065 1 8 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.035 -0.243 19151 6066 1 8 . 1 1 127 127 ALA H H 127 9.696 9.696 9.170 0.526 19151 6067 1 8 . 1 1 128 128 SER N N 128 112.064 112.064 113.269 -1.205 19151 6068 1 8 . 1 1 128 128 SER HA H 128 4.224 4.224 4.288 -0.064 19151 6069 1 8 . 1 1 128 128 SER C C 128 175.000 175.000 175.611 -0.611 19151 6070 1 8 . 1 1 128 128 SER CA C 128 61.246 61.246 61.088 0.158 19151 6071 1 8 . 1 1 128 128 SER CB C 128 63.310 63.310 63.620 -0.310 19151 6072 1 8 . 1 1 128 128 SER H H 128 8.373 8.373 8.266 0.107 19151 6073 1 8 . 1 1 129 129 GLU N N 129 119.468 119.468 118.726 0.742 19151 6074 1 8 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.448 -0.048 19151 6075 1 8 . 1 1 129 129 GLU C C 129 175.947 175.947 176.045 -0.098 19151 6076 1 8 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.966 -0.551 19151 6077 1 8 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.764 -0.034 19151 6078 1 8 . 1 1 129 129 GLU H H 129 7.267 7.267 7.580 -0.313 19151 6079 1 8 . 1 1 130 130 ASN N N 130 115.968 115.968 118.358 -2.390 19151 6080 1 8 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.130 0.036 19151 6081 1 8 . 1 1 130 130 ASN C C 130 172.000 172.000 174.016 -2.016 19151 6082 1 8 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.773 -0.550 19151 6083 1 8 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.825 -0.159 19151 6084 1 8 . 1 1 130 130 ASN H H 130 8.072 8.072 8.261 -0.189 19151 6085 1 8 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.485 0.065 19151 6086 1 8 . 1 1 131 131 PRO C C 131 176.400 176.400 176.169 0.231 19151 6087 1 8 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.898 -0.398 19151 6088 1 8 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.677 0.623 19151 6089 1 8 . 1 1 132 132 GLU N N 132 119.000 119.000 119.110 -0.110 19151 6090 1 8 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.825 0.195 19151 6091 1 8 . 1 1 132 132 GLU C C 132 174.200 174.200 175.317 -1.117 19151 6092 1 8 . 1 1 132 132 GLU CA C 132 53.000 53.000 52.820 0.180 19151 6093 1 8 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.301 0.399 19151 6094 1 8 . 1 1 132 132 GLU H H 132 7.690 7.690 8.139 -0.449 19151 6095 1 8 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.189 -0.189 19151 6096 1 8 . 1 1 133 133 PRO C C 133 177.391 177.391 178.352 -0.961 19151 6097 1 8 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.195 0.274 19151 6098 1 8 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.859 0.286 19151 6099 1 8 . 1 1 134 134 GLU N N 134 122.846 122.846 117.891 4.955 19151 6100 1 8 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.237 0.983 19151 6101 1 8 . 1 1 134 134 GLU C C 134 178.385 178.385 178.546 -0.161 19151 6102 1 8 . 1 1 134 134 GLU CA C 134 57.592 57.592 58.849 -1.257 19151 6103 1 8 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.234 -1.644 19151 6104 1 8 . 1 1 134 134 GLU H H 134 10.707 10.707 8.714 1.993 19151 6105 1 8 . 1 1 135 135 THR N N 135 113.016 113.016 110.235 2.781 19151 6106 1 8 . 1 1 135 135 THR HA H 135 4.182 4.182 4.222 -0.040 19151 6107 1 8 . 1 1 135 135 THR C C 135 176.460 176.460 175.747 0.713 19151 6108 1 8 . 1 1 135 135 THR CA C 135 64.752 64.752 64.750 0.002 19151 6109 1 8 . 1 1 135 135 THR CB C 135 69.248 69.248 68.901 0.347 19151 6110 1 8 . 1 1 135 135 THR H H 135 8.168 8.168 8.150 0.018 19151 6111 1 8 . 1 1 136 136 GLU N N 136 118.978 118.978 121.517 -2.539 19151 6112 1 8 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.516 0.048 19151 6113 1 8 . 1 1 136 136 GLU C C 136 178.370 178.370 178.522 -0.152 19151 6114 1 8 . 1 1 136 136 GLU CA C 136 56.913 56.913 57.883 -0.970 19151 6115 1 8 . 1 1 136 136 GLU CB C 136 32.100 32.100 31.032 1.068 19151 6116 1 8 . 1 1 136 136 GLU H H 136 7.680 7.680 7.619 0.061 19151 6117 1 8 . 1 1 137 137 SER N N 137 116.501 116.501 116.006 0.495 19151 6118 1 8 . 1 1 137 137 SER HA H 137 4.033 4.033 4.270 -0.237 19151 6119 1 8 . 1 1 137 137 SER C C 137 175.670 175.670 176.693 -1.023 19151 6120 1 8 . 1 1 137 137 SER CA C 137 62.330 62.330 61.971 0.360 19151 6121 1 8 . 1 1 137 137 SER CB C 137 61.380 61.380 63.161 -1.782 19151 6122 1 8 . 1 1 137 137 SER H H 137 8.824 8.824 8.564 0.260 19151 6123 1 8 . 1 1 138 138 ASN N N 138 123.517 123.517 121.310 2.207 19151 6124 1 8 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.764 -0.173 19151 6125 1 8 . 1 1 138 138 ASN C C 138 175.700 175.700 175.476 0.224 19151 6126 1 8 . 1 1 138 138 ASN CA C 138 57.486 57.486 56.830 0.656 19151 6127 1 8 . 1 1 138 138 ASN CB C 138 34.253 34.253 35.964 -1.710 19151 6128 1 8 . 1 1 138 138 ASN H H 138 8.564 8.564 8.213 0.351 19151 6129 1 8 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.413 0.042 19151 6130 1 8 . 1 1 139 139 PRO C C 139 180.033 180.033 178.758 1.275 19151 6131 1 8 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.454 0.157 19151 6132 1 8 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.522 -0.986 19151 6133 1 8 . 1 1 140 140 TRP N N 140 119.700 119.700 122.049 -2.349 19151 6134 1 8 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.463 -0.130 19151 6135 1 8 . 1 1 140 140 TRP C C 140 179.195 179.195 178.106 1.089 19151 6136 1 8 . 1 1 140 140 TRP CA C 140 62.180 62.180 62.038 0.142 19151 6137 1 8 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.512 1.239 19151 6138 1 8 . 1 1 140 140 TRP H H 140 7.057 7.057 7.619 -0.562 19151 6139 1 8 . 1 1 141 141 VAL N N 141 122.879 122.879 119.385 3.494 19151 6140 1 8 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.637 0.099 19151 6141 1 8 . 1 1 141 141 VAL C C 141 177.416 177.416 178.569 -1.153 19151 6142 1 8 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.115 -0.398 19151 6143 1 8 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.568 -0.136 19151 6144 1 8 . 1 1 141 141 VAL H H 141 9.629 9.629 8.933 0.696 19151 6145 1 8 . 1 1 142 142 GLU N N 142 119.965 119.965 119.824 0.141 19151 6146 1 8 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.086 -0.354 19151 6147 1 8 . 1 1 142 142 GLU C C 142 178.800 178.800 178.589 0.211 19151 6148 1 8 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.056 0.276 19151 6149 1 8 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.454 0.106 19151 6150 1 8 . 1 1 142 142 GLU H H 142 8.551 8.551 8.120 0.431 19151 6151 1 8 . 1 1 143 143 HIS N N 143 115.364 115.364 118.564 -3.200 19151 6152 1 8 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.417 -0.127 19151 6153 1 8 . 1 1 143 143 HIS C C 143 177.840 177.840 176.828 1.012 19151 6154 1 8 . 1 1 143 143 HIS CA C 143 59.363 59.363 59.445 -0.082 19151 6155 1 8 . 1 1 143 143 HIS CB C 143 29.362 29.362 30.082 -0.720 19151 6156 1 8 . 1 1 143 143 HIS H H 143 7.380 7.380 7.717 -0.337 19151 6157 1 8 . 1 1 144 144 TRP N N 144 126.680 126.680 122.341 4.339 19151 6158 1 8 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.968 -0.634 19151 6159 1 8 . 1 1 144 144 TRP C C 144 178.200 178.200 178.344 -0.144 19151 6160 1 8 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.753 2.207 19151 6161 1 8 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.372 0.153 19151 6162 1 8 . 1 1 144 144 TRP H H 144 9.215 9.215 8.585 0.630 19151 6163 1 8 . 1 1 145 145 GLY N N 145 100.130 100.130 105.478 -5.348 19151 6164 1 8 . 1 1 145 145 GLY C C 145 177.391 177.391 175.383 2.008 19151 6165 1 8 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.300 -0.540 19151 6166 1 8 . 1 1 145 145 GLY H H 145 8.834 8.834 8.669 0.165 19151 6167 1 8 . 1 1 146 146 THR N N 146 110.831 110.831 114.253 -3.422 19151 6168 1 8 . 1 1 146 146 THR HA H 146 4.319 4.319 4.021 0.298 19151 6169 1 8 . 1 1 146 146 THR C C 146 175.574 175.574 175.631 -0.057 19151 6170 1 8 . 1 1 146 146 THR CA C 146 63.260 63.260 64.062 -0.802 19151 6171 1 8 . 1 1 146 146 THR CB C 146 69.660 69.660 68.385 1.275 19151 6172 1 8 . 1 1 146 146 THR H H 146 7.594 7.594 7.503 0.091 19151 6173 1 8 . 1 1 147 147 LEU N N 147 120.678 120.678 119.562 1.116 19151 6174 1 8 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.102 -0.044 19151 6175 1 8 . 1 1 147 147 LEU C C 147 177.176 177.176 176.300 0.876 19151 6176 1 8 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.520 -1.206 19151 6177 1 8 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.328 -0.100 19151 6178 1 8 . 1 1 147 147 LEU H H 147 7.458 7.458 7.495 -0.037 19151 6179 1 8 . 1 1 148 148 LEU N N 148 117.062 117.062 118.448 -1.386 19151 6180 1 8 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.963 -0.245 19151 6181 1 8 . 1 1 148 148 LEU C C 148 175.570 175.570 176.579 -1.009 19151 6182 1 8 . 1 1 148 148 LEU CA C 148 53.951 53.951 53.978 -0.027 19151 6183 1 8 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.200 -1.599 19151 6184 1 8 . 1 1 148 148 LEU H H 148 6.482 6.482 6.945 -0.463 19151 6185 1 9 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.605 -0.376 19151 6186 1 9 . 1 1 2 2 ALA C C 2 173.315 173.315 175.821 -2.506 19151 6187 1 9 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.764 -0.184 19151 6188 1 9 . 1 1 2 2 ALA CB C 2 20.223 20.223 20.628 -0.405 19151 6189 1 9 . 1 1 3 3 GLU N N 3 121.874 121.874 118.393 3.481 19151 6190 1 9 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.400 -0.126 19151 6191 1 9 . 1 1 3 3 GLU C C 3 174.545 174.545 175.443 -0.898 19151 6192 1 9 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.532 0.318 19151 6193 1 9 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.027 -0.307 19151 6194 1 9 . 1 1 3 3 GLU H H 3 8.696 8.696 8.472 0.224 19151 6195 1 9 . 1 1 4 4 ILE N N 4 120.672 120.672 125.175 -4.503 19151 6196 1 9 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.871 0.238 19151 6197 1 9 . 1 1 4 4 ILE C C 4 175.463 175.463 174.970 0.493 19151 6198 1 9 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.064 -0.231 19151 6199 1 9 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.243 3.427 19151 6200 1 9 . 1 1 4 4 ILE H H 4 8.860 8.860 9.171 -0.311 19151 6201 1 9 . 1 1 5 5 GLY N N 5 119.310 119.310 114.557 4.753 19151 6202 1 9 . 1 1 5 5 GLY C C 5 171.260 171.260 172.905 -1.645 19151 6203 1 9 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.470 0.350 19151 6204 1 9 . 1 1 5 5 GLY H H 5 8.469 8.469 7.947 0.522 19151 6205 1 9 . 1 1 6 6 ILE N N 6 126.915 126.915 126.218 0.697 19151 6206 1 9 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.027 0.163 19151 6207 1 9 . 1 1 6 6 ILE C C 6 173.901 173.901 174.474 -0.573 19151 6208 1 9 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.618 -0.618 19151 6209 1 9 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.594 -1.594 19151 6210 1 9 . 1 1 6 6 ILE H H 6 9.056 9.056 9.210 -0.154 19151 6211 1 9 . 1 1 7 7 PHE N N 7 127.354 127.354 127.895 -0.541 19151 6212 1 9 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.243 -0.731 19151 6213 1 9 . 1 1 7 7 PHE C C 7 174.230 174.230 174.439 -0.209 19151 6214 1 9 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.543 1.867 19151 6215 1 9 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.734 0.994 19151 6216 1 9 . 1 1 7 7 PHE H H 7 8.960 8.960 9.620 -0.660 19151 6217 1 9 . 1 1 8 8 VAL N N 8 127.270 127.270 124.188 3.082 19151 6218 1 9 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.059 0.001 19151 6219 1 9 . 1 1 8 8 VAL C C 8 175.450 175.450 176.315 -0.865 19151 6220 1 9 . 1 1 8 8 VAL CA C 8 61.200 61.200 59.795 1.405 19151 6221 1 9 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.503 -0.066 19151 6222 1 9 . 1 1 8 8 VAL H H 8 8.581 8.581 8.465 0.116 19151 6223 1 9 . 1 1 9 9 GLY N N 9 115.000 115.000 118.420 -3.420 19151 6224 1 9 . 1 1 9 9 GLY C C 9 173.150 173.150 173.289 -0.139 19151 6225 1 9 . 1 1 9 9 GLY CA C 9 45.000 45.000 45.159 -0.159 19151 6226 1 9 . 1 1 9 9 GLY H H 9 9.393 9.393 8.915 0.478 19151 6227 1 9 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.055 0.640 19151 6228 1 9 . 1 1 12 12 TYR C C 12 176.560 176.560 175.477 1.083 19151 6229 1 9 . 1 1 12 12 TYR CA C 12 57.750 57.750 60.521 -2.771 19151 6230 1 9 . 1 1 12 12 TYR CB C 12 38.000 38.000 37.535 0.465 19151 6231 1 9 . 1 1 13 13 GLY N N 13 109.870 109.870 108.239 1.631 19151 6232 1 9 . 1 1 13 13 GLY C C 13 175.930 175.930 174.268 1.662 19151 6233 1 9 . 1 1 13 13 GLY CA C 13 46.000 46.000 45.247 0.753 19151 6234 1 9 . 1 1 13 13 GLY H H 13 8.500 8.500 8.667 -0.167 19151 6235 1 9 . 1 1 17 17 LEU HA H 17 4.230 4.230 3.865 0.365 19151 6236 1 9 . 1 1 17 17 LEU C C 17 179.210 179.210 177.565 1.645 19151 6237 1 9 . 1 1 17 17 LEU CA C 17 58.400 58.400 58.009 0.391 19151 6238 1 9 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.641 -0.341 19151 6239 1 9 . 1 1 18 18 VAL N N 18 117.231 117.231 118.081 -0.850 19151 6240 1 9 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.598 -0.275 19151 6241 1 9 . 1 1 18 18 VAL C C 18 178.460 178.460 177.914 0.546 19151 6242 1 9 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.006 0.860 19151 6243 1 9 . 1 1 18 18 VAL CB C 18 31.460 31.460 31.011 0.449 19151 6244 1 9 . 1 1 18 18 VAL H H 18 7.645 7.645 7.724 -0.079 19151 6245 1 9 . 1 1 19 19 ALA N N 19 121.820 121.820 121.557 0.263 19151 6246 1 9 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.948 -0.132 19151 6247 1 9 . 1 1 19 19 ALA C C 19 178.180 178.180 179.516 -1.336 19151 6248 1 9 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.580 -0.004 19151 6249 1 9 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.047 1.953 19151 6250 1 9 . 1 1 19 19 ALA H H 19 8.010 8.010 8.531 -0.521 19151 6251 1 9 . 1 1 20 20 GLU N N 20 118.960 118.960 118.226 0.734 19151 6252 1 9 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.004 0.012 19151 6253 1 9 . 1 1 20 20 GLU C C 20 180.950 180.950 179.426 1.524 19151 6254 1 9 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.061 0.605 19151 6255 1 9 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.341 -0.041 19151 6256 1 9 . 1 1 20 20 GLU H H 20 8.700 8.700 8.009 0.691 19151 6257 1 9 . 1 1 21 21 GLU N N 21 121.371 121.371 119.590 1.781 19151 6258 1 9 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.068 -0.024 19151 6259 1 9 . 1 1 21 21 GLU C C 21 179.419 179.419 178.853 0.566 19151 6260 1 9 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.168 0.142 19151 6261 1 9 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.323 0.238 19151 6262 1 9 . 1 1 21 21 GLU H H 21 8.632 8.632 7.916 0.716 19151 6263 1 9 . 1 1 22 22 ALA N N 22 121.329 121.329 122.885 -1.556 19151 6264 1 9 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.065 -0.007 19151 6265 1 9 . 1 1 22 22 ALA C C 22 178.823 178.823 179.403 -0.580 19151 6266 1 9 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.640 -0.963 19151 6267 1 9 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.094 -0.451 19151 6268 1 9 . 1 1 22 22 ALA H H 22 8.182 8.182 8.593 -0.411 19151 6269 1 9 . 1 1 23 23 GLU N N 23 119.035 119.035 119.458 -0.423 19151 6270 1 9 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.019 -0.615 19151 6271 1 9 . 1 1 23 23 GLU C C 23 178.375 178.375 178.568 -0.193 19151 6272 1 9 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.812 0.496 19151 6273 1 9 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.510 -0.580 19151 6274 1 9 . 1 1 23 23 GLU H H 23 8.387 8.387 8.338 0.049 19151 6275 1 9 . 1 1 24 24 ALA N N 24 122.207 122.207 122.064 0.143 19151 6276 1 9 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.115 -0.085 19151 6277 1 9 . 1 1 24 24 ALA C C 24 181.132 181.132 179.934 1.198 19151 6278 1 9 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.051 0.436 19151 6279 1 9 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.591 -0.591 19151 6280 1 9 . 1 1 24 24 ALA H H 24 7.535 7.535 7.670 -0.135 19151 6281 1 9 . 1 1 25 25 ILE N N 25 121.059 121.059 120.226 0.833 19151 6282 1 9 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.735 -0.071 19151 6283 1 9 . 1 1 25 25 ILE C C 25 178.419 178.419 177.900 0.519 19151 6284 1 9 . 1 1 25 25 ILE CA C 25 65.108 65.108 65.965 -0.857 19151 6285 1 9 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.168 0.795 19151 6286 1 9 . 1 1 25 25 ILE H H 25 7.800 7.800 8.505 -0.705 19151 6287 1 9 . 1 1 26 26 LEU N N 26 119.307 119.307 120.879 -1.572 19151 6288 1 9 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.134 0.042 19151 6289 1 9 . 1 1 26 26 LEU C C 26 179.863 179.863 179.724 0.139 19151 6290 1 9 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.391 -0.445 19151 6291 1 9 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.178 -0.038 19151 6292 1 9 . 1 1 26 26 LEU H H 26 8.509 8.509 8.668 -0.159 19151 6293 1 9 . 1 1 27 27 THR N N 27 117.830 117.830 116.045 1.785 19151 6294 1 9 . 1 1 27 27 THR HA H 27 4.524 4.524 4.248 0.276 19151 6295 1 9 . 1 1 27 27 THR C C 27 179.027 179.027 176.378 2.649 19151 6296 1 9 . 1 1 27 27 THR CA C 27 66.000 66.000 66.709 -0.709 19151 6297 1 9 . 1 1 27 27 THR CB C 27 68.600 68.600 68.700 -0.100 19151 6298 1 9 . 1 1 27 27 THR H H 27 8.796 8.796 8.392 0.404 19151 6299 1 9 . 1 1 28 28 ALA N N 28 126.313 126.313 122.582 3.731 19151 6300 1 9 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.147 0.058 19151 6301 1 9 . 1 1 28 28 ALA C C 28 179.360 179.360 179.565 -0.205 19151 6302 1 9 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.268 0.732 19151 6303 1 9 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.242 -0.592 19151 6304 1 9 . 1 1 28 28 ALA H H 28 7.832 7.832 7.898 -0.066 19151 6305 1 9 . 1 1 29 29 GLN N N 29 115.527 115.527 116.306 -0.779 19151 6306 1 9 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.188 -0.061 19151 6307 1 9 . 1 1 29 29 GLN C C 29 176.547 176.547 176.878 -0.331 19151 6308 1 9 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.587 -0.024 19151 6309 1 9 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.744 -0.334 19151 6310 1 9 . 1 1 29 29 GLN H H 29 7.353 7.353 8.314 -0.961 19151 6311 1 9 . 1 1 30 30 GLY N N 30 105.961 105.961 106.856 -0.895 19151 6312 1 9 . 1 1 30 30 GLY C C 30 174.785 174.785 172.989 1.796 19151 6313 1 9 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.594 -0.094 19151 6314 1 9 . 1 1 30 30 GLY H H 30 7.923 7.923 7.755 0.168 19151 6315 1 9 . 1 1 31 31 HIS N N 31 119.471 119.471 116.984 2.487 19151 6316 1 9 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.926 -0.091 19151 6317 1 9 . 1 1 31 31 HIS C C 31 174.665 174.665 173.674 0.991 19151 6318 1 9 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.417 1.425 19151 6319 1 9 . 1 1 31 31 HIS CB C 31 32.000 32.000 32.438 -0.438 19151 6320 1 9 . 1 1 31 31 HIS H H 31 7.558 7.558 8.118 -0.560 19151 6321 1 9 . 1 1 32 32 LYS N N 32 121.854 121.854 122.840 -0.986 19151 6322 1 9 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.413 0.310 19151 6323 1 9 . 1 1 32 32 LYS C C 32 174.466 174.466 174.781 -0.315 19151 6324 1 9 . 1 1 32 32 LYS CA C 32 54.865 54.865 55.038 -0.173 19151 6325 1 9 . 1 1 32 32 LYS CB C 32 32.960 32.960 31.795 1.165 19151 6326 1 9 . 1 1 32 32 LYS H H 32 8.665 8.665 8.765 -0.100 19151 6327 1 9 . 1 1 33 33 ALA N N 33 130.188 130.188 129.196 0.992 19151 6328 1 9 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.661 0.157 19151 6329 1 9 . 1 1 33 33 ALA C C 33 175.567 175.567 176.550 -0.983 19151 6330 1 9 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.795 -0.819 19151 6331 1 9 . 1 1 33 33 ALA CB C 33 22.297 22.297 22.090 0.207 19151 6332 1 9 . 1 1 33 33 ALA H H 33 8.837 8.837 7.973 0.864 19151 6333 1 9 . 1 1 34 34 THR N N 34 117.164 117.164 116.479 0.685 19151 6334 1 9 . 1 1 34 34 THR HA H 34 4.359 4.359 4.581 -0.222 19151 6335 1 9 . 1 1 34 34 THR C C 34 171.315 171.315 172.650 -1.335 19151 6336 1 9 . 1 1 34 34 THR CA C 34 61.840 61.840 61.238 0.602 19151 6337 1 9 . 1 1 34 34 THR CB C 34 71.800 71.800 72.546 -0.746 19151 6338 1 9 . 1 1 34 34 THR H H 34 7.826 7.826 8.720 -0.894 19151 6339 1 9 . 1 1 35 35 VAL N N 35 126.650 126.650 123.119 3.531 19151 6340 1 9 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.500 -0.317 19151 6341 1 9 . 1 1 35 35 VAL C C 35 174.675 174.675 175.394 -0.719 19151 6342 1 9 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.838 0.090 19151 6343 1 9 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.662 -0.012 19151 6344 1 9 . 1 1 35 35 VAL H H 35 8.496 8.496 8.438 0.058 19151 6345 1 9 . 1 1 36 36 PHE N N 36 127.630 127.630 127.095 0.535 19151 6346 1 9 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.715 -0.164 19151 6347 1 9 . 1 1 36 36 PHE C C 36 174.347 174.347 174.608 -0.261 19151 6348 1 9 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.439 1.043 19151 6349 1 9 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.354 -0.189 19151 6350 1 9 . 1 1 36 36 PHE H H 36 9.164 9.164 9.210 -0.046 19151 6351 1 9 . 1 1 37 37 GLU N N 37 123.516 123.516 124.041 -0.525 19151 6352 1 9 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.340 0.130 19151 6353 1 9 . 1 1 37 37 GLU C C 37 175.954 175.954 176.417 -0.463 19151 6354 1 9 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.331 -0.612 19151 6355 1 9 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.673 0.787 19151 6356 1 9 . 1 1 37 37 GLU H H 37 8.455 8.455 8.774 -0.319 19151 6357 1 9 . 1 1 38 38 ASP N N 38 120.395 120.395 122.196 -1.801 19151 6358 1 9 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.459 0.374 19151 6359 1 9 . 1 1 38 38 ASP C C 38 173.920 173.920 174.657 -0.737 19151 6360 1 9 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.262 0.215 19151 6361 1 9 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.461 0.143 19151 6362 1 9 . 1 1 38 38 ASP H H 38 9.602 9.602 8.132 1.470 19151 6363 1 9 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.437 0.243 19151 6364 1 9 . 1 1 39 39 PRO C C 39 176.274 176.274 176.209 0.065 19151 6365 1 9 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.942 -0.958 19151 6366 1 9 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.968 1.431 19151 6367 1 9 . 1 1 40 40 GLU N N 40 119.026 119.026 122.349 -3.323 19151 6368 1 9 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.512 0.216 19151 6369 1 9 . 1 1 40 40 GLU C C 40 177.827 177.827 177.436 0.391 19151 6370 1 9 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.054 -1.084 19151 6371 1 9 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.217 2.183 19151 6372 1 9 . 1 1 40 40 GLU H H 40 9.178 9.178 8.653 0.525 19151 6373 1 9 . 1 1 41 41 LEU N N 41 123.708 123.708 124.737 -1.029 19151 6374 1 9 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.174 -0.280 19151 6375 1 9 . 1 1 41 41 LEU C C 41 178.730 178.730 178.161 0.569 19151 6376 1 9 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.917 0.490 19151 6377 1 9 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.895 -0.242 19151 6378 1 9 . 1 1 41 41 LEU H H 41 9.160 9.160 8.844 0.316 19151 6379 1 9 . 1 1 42 42 SER N N 42 110.500 110.500 113.660 -3.160 19151 6380 1 9 . 1 1 42 42 SER HA H 42 4.010 4.010 4.229 -0.219 19151 6381 1 9 . 1 1 42 42 SER C C 42 176.300 176.300 175.069 1.231 19151 6382 1 9 . 1 1 42 42 SER CA C 42 61.600 61.600 60.862 0.738 19151 6383 1 9 . 1 1 42 42 SER CB C 42 62.140 62.140 62.828 -0.688 19151 6384 1 9 . 1 1 42 42 SER H H 42 8.415 8.415 8.476 -0.061 19151 6385 1 9 . 1 1 43 43 ASP N N 43 119.770 119.770 120.933 -1.163 19151 6386 1 9 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.716 -0.259 19151 6387 1 9 . 1 1 43 43 ASP C C 43 176.150 176.150 176.458 -0.308 19151 6388 1 9 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.516 1.234 19151 6389 1 9 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.094 1.606 19151 6390 1 9 . 1 1 43 43 ASP H H 43 7.690 7.690 7.843 -0.153 19151 6391 1 9 . 1 1 44 44 TRP N N 44 118.500 118.500 121.202 -2.702 19151 6392 1 9 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.375 -0.165 19151 6393 1 9 . 1 1 44 44 TRP C C 44 177.150 177.150 177.606 -0.456 19151 6394 1 9 . 1 1 44 44 TRP CA C 44 59.387 59.387 59.029 0.358 19151 6395 1 9 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.378 -0.068 19151 6396 1 9 . 1 1 44 44 TRP H H 44 7.464 7.464 7.547 -0.083 19151 6397 1 9 . 1 1 45 45 LEU N N 45 114.100 114.100 120.709 -6.609 19151 6398 1 9 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.056 0.119 19151 6399 1 9 . 1 1 45 45 LEU C C 45 176.300 176.300 175.788 0.512 19151 6400 1 9 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.151 -0.591 19151 6401 1 9 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.281 -0.061 19151 6402 1 9 . 1 1 45 45 LEU H H 45 7.550 7.550 8.423 -0.873 19151 6403 1 9 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.077 0.303 19151 6404 1 9 . 1 1 46 46 PRO C C 46 176.799 176.799 177.400 -0.601 19151 6405 1 9 . 1 1 46 46 PRO CA C 46 65.287 65.287 65.409 -0.122 19151 6406 1 9 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.047 0.554 19151 6407 1 9 . 1 1 47 47 TYR N N 47 113.790 113.790 114.550 -0.760 19151 6408 1 9 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.697 -0.577 19151 6409 1 9 . 1 1 47 47 TYR C C 47 175.730 175.730 177.660 -1.930 19151 6410 1 9 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.199 2.001 19151 6411 1 9 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.683 0.333 19151 6412 1 9 . 1 1 47 47 TYR H H 47 8.291 8.291 8.282 0.009 19151 6413 1 9 . 1 1 48 48 GLN N N 48 116.524 116.524 119.978 -3.454 19151 6414 1 9 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.884 0.001 19151 6415 1 9 . 1 1 48 48 GLN C C 48 174.381 174.381 176.024 -1.643 19151 6416 1 9 . 1 1 48 48 GLN CA C 48 59.826 59.826 60.142 -0.316 19151 6417 1 9 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.752 2.248 19151 6418 1 9 . 1 1 48 48 GLN H H 48 7.300 7.300 7.536 -0.236 19151 6419 1 9 . 1 1 49 49 ASP N N 49 114.657 114.657 111.827 2.830 19151 6420 1 9 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.693 -0.006 19151 6421 1 9 . 1 1 49 49 ASP C C 49 176.307 176.307 175.831 0.476 19151 6422 1 9 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.556 -1.821 19151 6423 1 9 . 1 1 49 49 ASP CB C 49 40.200 40.200 40.459 -0.259 19151 6424 1 9 . 1 1 49 49 ASP H H 49 7.854 7.854 8.400 -0.546 19151 6425 1 9 . 1 1 50 50 LYS N N 50 123.514 123.514 118.944 4.570 19151 6426 1 9 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.497 0.093 19151 6427 1 9 . 1 1 50 50 LYS C C 50 172.964 172.964 174.750 -1.786 19151 6428 1 9 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.247 -0.554 19151 6429 1 9 . 1 1 50 50 LYS CB C 50 33.500 33.500 36.174 -2.674 19151 6430 1 9 . 1 1 50 50 LYS H H 50 7.833 7.833 7.579 0.254 19151 6431 1 9 . 1 1 51 51 TYR N N 51 118.375 118.375 115.927 2.448 19151 6432 1 9 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.745 0.310 19151 6433 1 9 . 1 1 51 51 TYR C C 51 175.875 175.875 176.170 -0.295 19151 6434 1 9 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.503 0.918 19151 6435 1 9 . 1 1 51 51 TYR CB C 51 42.477 42.477 41.123 1.354 19151 6436 1 9 . 1 1 51 51 TYR H H 51 7.745 7.745 7.765 -0.020 19151 6437 1 9 . 1 1 52 52 VAL N N 52 112.527 112.527 114.562 -2.035 19151 6438 1 9 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.896 0.604 19151 6439 1 9 . 1 1 52 52 VAL C C 52 173.910 173.910 173.993 -0.083 19151 6440 1 9 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.342 -1.646 19151 6441 1 9 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.548 0.944 19151 6442 1 9 . 1 1 52 52 VAL H H 52 8.673 8.673 8.346 0.327 19151 6443 1 9 . 1 1 53 53 LEU N N 53 124.294 124.294 124.491 -0.197 19151 6444 1 9 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.249 -0.349 19151 6445 1 9 . 1 1 53 53 LEU C C 53 175.070 175.070 174.454 0.616 19151 6446 1 9 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.311 -0.745 19151 6447 1 9 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.518 -1.288 19151 6448 1 9 . 1 1 53 53 LEU H H 53 9.137 9.137 9.183 -0.046 19151 6449 1 9 . 1 1 54 54 VAL N N 54 127.850 127.850 127.874 -0.024 19151 6450 1 9 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.679 -0.169 19151 6451 1 9 . 1 1 54 54 VAL C C 54 174.030 174.030 174.554 -0.524 19151 6452 1 9 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.430 0.395 19151 6453 1 9 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.240 -0.549 19151 6454 1 9 . 1 1 54 54 VAL H H 54 8.619 8.619 9.095 -0.476 19151 6455 1 9 . 1 1 55 55 VAL N N 55 127.181 127.181 128.541 -1.360 19151 6456 1 9 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.810 0.275 19151 6457 1 9 . 1 1 55 55 VAL C C 55 174.942 174.942 174.285 0.657 19151 6458 1 9 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.725 -0.656 19151 6459 1 9 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.733 -0.511 19151 6460 1 9 . 1 1 55 55 VAL H H 55 8.578 8.578 8.831 -0.253 19151 6461 1 9 . 1 1 56 56 THR N N 56 117.420 117.420 121.515 -4.095 19151 6462 1 9 . 1 1 56 56 THR HA H 56 5.590 5.590 4.681 0.909 19151 6463 1 9 . 1 1 56 56 THR C C 56 172.640 172.640 172.889 -0.249 19151 6464 1 9 . 1 1 56 56 THR CA C 56 59.359 59.359 60.804 -1.445 19151 6465 1 9 . 1 1 56 56 THR CB C 56 70.715 70.715 70.709 0.006 19151 6466 1 9 . 1 1 56 56 THR H H 56 8.710 8.710 8.868 -0.158 19151 6467 1 9 . 1 1 57 57 SER HA H 57 5.250 5.250 5.018 0.232 19151 6468 1 9 . 1 1 57 57 SER CA C 57 57.730 57.730 57.454 0.276 19151 6469 1 9 . 1 1 57 57 SER CB C 57 64.500 64.500 64.934 -0.434 19151 6470 1 9 . 1 1 57 57 SER H H 57 8.075 8.075 8.669 -0.594 19151 6471 1 9 . 1 1 58 58 THR H H 58 7.900 7.900 8.326 -0.426 19151 6472 1 9 . 1 1 59 59 THR HA H 59 4.900 4.900 4.122 0.778 19151 6473 1 9 . 1 1 59 59 THR CA C 59 61.200 61.200 66.025 -4.825 19151 6474 1 9 . 1 1 59 59 THR CB C 59 73.400 73.400 69.417 3.983 19151 6475 1 9 . 1 1 59 59 THR H H 59 9.230 9.230 7.909 1.321 19151 6476 1 9 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.783 0.717 19151 6477 1 9 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.233 0.173 19151 6478 1 9 . 1 1 61 61 GLN C C 61 175.950 175.950 176.507 -0.557 19151 6479 1 9 . 1 1 61 61 GLN CA C 61 55.350 55.350 55.429 -0.079 19151 6480 1 9 . 1 1 61 61 GLN CB C 61 29.160 29.160 26.349 2.811 19151 6481 1 9 . 1 1 62 62 GLY N N 62 108.420 108.420 108.745 -0.325 19151 6482 1 9 . 1 1 62 62 GLY C C 62 173.134 173.134 173.647 -0.513 19151 6483 1 9 . 1 1 62 62 GLY CA C 62 45.784 45.784 45.409 0.375 19151 6484 1 9 . 1 1 62 62 GLY H H 62 8.073 8.073 7.871 0.202 19151 6485 1 9 . 1 1 63 63 ASP N N 63 118.400 118.400 119.272 -0.872 19151 6486 1 9 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.883 -0.103 19151 6487 1 9 . 1 1 63 63 ASP CA C 63 53.296 53.296 51.930 1.366 19151 6488 1 9 . 1 1 63 63 ASP CB C 63 42.740 42.740 43.799 -1.059 19151 6489 1 9 . 1 1 63 63 ASP H H 63 7.248 7.248 8.352 -1.104 19151 6490 1 9 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.589 -0.189 19151 6491 1 9 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.496 1.654 19151 6492 1 9 . 1 1 64 64 LEU CB C 64 41.687 41.687 44.304 -2.617 19151 6493 1 9 . 1 1 64 64 LEU H H 64 8.445 8.445 8.010 0.435 19151 6494 1 9 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.397 -0.104 19151 6495 1 9 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.678 -0.334 19151 6496 1 9 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.597 -0.117 19151 6497 1 9 . 1 1 66 66 ASP N N 66 121.200 121.200 122.910 -1.710 19151 6498 1 9 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.381 -0.121 19151 6499 1 9 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.438 1.192 19151 6500 1 9 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.878 -0.078 19151 6501 1 9 . 1 1 66 66 ASP H H 66 8.605 8.605 8.736 -0.131 19151 6502 1 9 . 1 1 67 67 SER HA H 67 4.292 4.292 4.409 -0.117 19151 6503 1 9 . 1 1 67 67 SER C C 67 175.650 175.650 175.013 0.637 19151 6504 1 9 . 1 1 67 67 SER CA C 67 60.500 60.500 60.205 0.295 19151 6505 1 9 . 1 1 67 67 SER CB C 67 63.530 63.530 63.904 -0.374 19151 6506 1 9 . 1 1 68 68 ILE N N 68 120.550 120.550 121.406 -0.856 19151 6507 1 9 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.431 0.679 19151 6508 1 9 . 1 1 68 68 ILE C C 68 174.713 174.713 176.681 -1.968 19151 6509 1 9 . 1 1 68 68 ILE CA C 68 60.400 60.400 61.101 -0.701 19151 6510 1 9 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.567 3.673 19151 6511 1 9 . 1 1 68 68 ILE H H 68 7.870 7.870 7.703 0.167 19151 6512 1 9 . 1 1 69 69 VAL N N 69 125.740 125.740 123.038 2.702 19151 6513 1 9 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.648 0.097 19151 6514 1 9 . 1 1 69 69 VAL C C 69 174.500 174.500 174.961 -0.461 19151 6515 1 9 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.640 -1.090 19151 6516 1 9 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.512 0.617 19151 6517 1 9 . 1 1 69 69 VAL H H 69 7.428 7.428 8.728 -1.300 19151 6518 1 9 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.310 -0.018 19151 6519 1 9 . 1 1 70 70 PRO C C 70 180.820 180.820 178.793 2.027 19151 6520 1 9 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.055 0.415 19151 6521 1 9 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.202 -0.545 19151 6522 1 9 . 1 1 71 71 LEU N N 71 119.467 119.467 120.866 -1.399 19151 6523 1 9 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.000 -0.155 19151 6524 1 9 . 1 1 71 71 LEU C C 71 176.489 176.489 178.362 -1.873 19151 6525 1 9 . 1 1 71 71 LEU CA C 71 58.207 58.207 58.062 0.145 19151 6526 1 9 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.601 -0.115 19151 6527 1 9 . 1 1 71 71 LEU H H 71 7.918 7.918 7.706 0.212 19151 6528 1 9 . 1 1 72 72 PHE N N 72 119.361 119.361 119.436 -0.075 19151 6529 1 9 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.358 -0.213 19151 6530 1 9 . 1 1 72 72 PHE C C 72 175.968 175.968 177.121 -1.153 19151 6531 1 9 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.734 0.087 19151 6532 1 9 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.613 0.934 19151 6533 1 9 . 1 1 72 72 PHE H H 72 7.903 7.903 8.731 -0.828 19151 6534 1 9 . 1 1 73 73 GLN N N 73 116.100 116.100 116.958 -0.858 19151 6535 1 9 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.818 -0.291 19151 6536 1 9 . 1 1 73 73 GLN C C 73 177.871 177.871 178.727 -0.856 19151 6537 1 9 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.877 -0.737 19151 6538 1 9 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.148 -0.001 19151 6539 1 9 . 1 1 73 73 GLN H H 73 9.042 9.042 8.733 0.309 19151 6540 1 9 . 1 1 74 74 GLY N N 74 107.110 107.110 108.197 -1.087 19151 6541 1 9 . 1 1 74 74 GLY C C 74 175.894 175.894 176.423 -0.529 19151 6542 1 9 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.769 0.511 19151 6543 1 9 . 1 1 74 74 GLY H H 74 8.045 8.045 8.170 -0.125 19151 6544 1 9 . 1 1 75 75 ILE N N 75 123.629 123.629 122.832 0.797 19151 6545 1 9 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.353 -0.303 19151 6546 1 9 . 1 1 75 75 ILE C C 75 178.622 178.622 177.067 1.555 19151 6547 1 9 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.832 0.425 19151 6548 1 9 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.452 0.516 19151 6549 1 9 . 1 1 75 75 ILE H H 75 8.174 8.174 8.128 0.046 19151 6550 1 9 . 1 1 76 76 LYS N N 76 119.363 119.363 118.188 1.175 19151 6551 1 9 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.780 -0.475 19151 6552 1 9 . 1 1 76 76 LYS C C 76 177.909 177.909 178.229 -0.320 19151 6553 1 9 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.188 0.517 19151 6554 1 9 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.951 0.398 19151 6555 1 9 . 1 1 76 76 LYS H H 76 7.600 7.600 7.471 0.129 19151 6556 1 9 . 1 1 77 77 ASP N N 77 115.190 115.190 117.511 -2.321 19151 6557 1 9 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.608 -0.126 19151 6558 1 9 . 1 1 77 77 ASP C C 77 178.825 178.825 177.860 0.965 19151 6559 1 9 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.809 0.471 19151 6560 1 9 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.862 -0.673 19151 6561 1 9 . 1 1 77 77 ASP H H 77 8.482 8.482 8.198 0.284 19151 6562 1 9 . 1 1 78 78 SER N N 78 112.576 112.576 115.765 -3.189 19151 6563 1 9 . 1 1 78 78 SER HA H 78 4.728 4.728 4.433 0.295 19151 6564 1 9 . 1 1 78 78 SER C C 78 174.556 174.556 174.744 -0.188 19151 6565 1 9 . 1 1 78 78 SER CA C 78 60.045 60.045 60.131 -0.086 19151 6566 1 9 . 1 1 78 78 SER CB C 78 64.643 64.643 64.141 0.502 19151 6567 1 9 . 1 1 78 78 SER H H 78 8.273 8.273 7.965 0.308 19151 6568 1 9 . 1 1 79 79 LEU N N 79 120.833 120.833 120.724 0.109 19151 6569 1 9 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.455 0.360 19151 6570 1 9 . 1 1 79 79 LEU C C 79 176.251 176.251 179.114 -2.863 19151 6571 1 9 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.453 -2.493 19151 6572 1 9 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.187 -2.991 19151 6573 1 9 . 1 1 79 79 LEU H H 79 7.025 7.025 7.551 -0.526 19151 6574 1 9 . 1 1 80 80 GLY N N 80 108.861 108.861 106.992 1.869 19151 6575 1 9 . 1 1 80 80 GLY C C 80 173.623 173.623 173.512 0.111 19151 6576 1 9 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.556 -0.327 19151 6577 1 9 . 1 1 80 80 GLY H H 80 7.499 7.499 8.353 -0.854 19151 6578 1 9 . 1 1 81 81 PHE N N 81 121.441 121.441 120.308 1.133 19151 6579 1 9 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.719 0.341 19151 6580 1 9 . 1 1 81 81 PHE C C 81 174.411 174.411 172.558 1.853 19151 6581 1 9 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.283 -0.072 19151 6582 1 9 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.918 -1.298 19151 6583 1 9 . 1 1 81 81 PHE H H 81 8.018 8.018 7.343 0.675 19151 6584 1 9 . 1 1 82 82 GLN N N 82 126.480 126.480 122.655 3.825 19151 6585 1 9 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.770 0.120 19151 6586 1 9 . 1 1 82 82 GLN C C 82 172.700 172.700 173.925 -1.225 19151 6587 1 9 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.342 1.835 19151 6588 1 9 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.585 2.014 19151 6589 1 9 . 1 1 82 82 GLN H H 82 9.588 9.588 7.589 1.999 19151 6590 1 9 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.333 0.040 19151 6591 1 9 . 1 1 83 83 PRO C C 83 178.163 178.163 176.748 1.415 19151 6592 1 9 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.677 -0.986 19151 6593 1 9 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.420 -0.555 19151 6594 1 9 . 1 1 84 84 ASN N N 84 116.900 116.900 115.789 1.111 19151 6595 1 9 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.835 -0.066 19151 6596 1 9 . 1 1 84 84 ASN C C 84 173.332 173.332 173.653 -0.321 19151 6597 1 9 . 1 1 84 84 ASN CA C 84 52.560 52.560 53.105 -0.545 19151 6598 1 9 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.116 -0.856 19151 6599 1 9 . 1 1 84 84 ASN H H 84 8.578 8.578 8.023 0.555 19151 6600 1 9 . 1 1 85 85 LEU N N 85 124.380 124.380 122.572 1.808 19151 6601 1 9 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.465 -0.419 19151 6602 1 9 . 1 1 85 85 LEU C C 85 175.880 175.880 175.429 0.451 19151 6603 1 9 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.720 1.122 19151 6604 1 9 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.356 -1.056 19151 6605 1 9 . 1 1 85 85 LEU H H 85 7.240 7.240 7.658 -0.418 19151 6606 1 9 . 1 1 86 86 ARG N N 86 128.715 128.715 123.944 4.771 19151 6607 1 9 . 1 1 86 86 ARG HA H 86 5.794 5.794 4.993 0.801 19151 6608 1 9 . 1 1 86 86 ARG C C 86 175.554 175.554 174.720 0.834 19151 6609 1 9 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.303 0.139 19151 6610 1 9 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.513 -1.639 19151 6611 1 9 . 1 1 86 86 ARG H H 86 7.732 7.732 8.297 -0.565 19151 6612 1 9 . 1 1 87 87 TYR N N 87 117.420 117.420 118.778 -1.358 19151 6613 1 9 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.622 1.143 19151 6614 1 9 . 1 1 87 87 TYR C C 87 172.931 172.931 173.374 -0.443 19151 6615 1 9 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.630 -1.369 19151 6616 1 9 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.528 3.410 19151 6617 1 9 . 1 1 87 87 TYR H H 87 8.783 8.783 8.765 0.018 19151 6618 1 9 . 1 1 88 88 GLY N N 88 107.765 107.765 105.849 1.916 19151 6619 1 9 . 1 1 88 88 GLY C C 88 172.621 172.621 171.249 1.372 19151 6620 1 9 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.780 1.081 19151 6621 1 9 . 1 1 88 88 GLY H H 88 8.905 8.905 8.720 0.185 19151 6622 1 9 . 1 1 89 89 VAL N N 89 118.180 118.180 116.350 1.830 19151 6623 1 9 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.910 0.091 19151 6624 1 9 . 1 1 89 89 VAL C C 89 172.939 172.939 173.913 -0.974 19151 6625 1 9 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.584 0.415 19151 6626 1 9 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.452 0.946 19151 6627 1 9 . 1 1 89 89 VAL H H 89 7.499 7.499 8.121 -0.622 19151 6628 1 9 . 1 1 90 90 ILE N N 90 125.000 125.000 123.968 1.032 19151 6629 1 9 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.168 -0.041 19151 6630 1 9 . 1 1 90 90 ILE C C 90 173.099 173.099 173.925 -0.826 19151 6631 1 9 . 1 1 90 90 ILE CA C 90 60.488 60.488 60.022 0.466 19151 6632 1 9 . 1 1 90 90 ILE CB C 90 40.398 40.398 39.673 0.725 19151 6633 1 9 . 1 1 90 90 ILE H H 90 8.810 8.810 8.859 -0.049 19151 6634 1 9 . 1 1 91 91 ALA N N 91 129.036 129.036 129.843 -0.807 19151 6635 1 9 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.400 -0.074 19151 6636 1 9 . 1 1 91 91 ALA C C 91 174.000 174.000 175.823 -1.823 19151 6637 1 9 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.802 -0.802 19151 6638 1 9 . 1 1 91 91 ALA CB C 91 22.100 22.100 20.938 1.162 19151 6639 1 9 . 1 1 91 91 ALA H H 91 9.253 9.253 8.848 0.405 19151 6640 1 9 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.048 -0.117 19151 6641 1 9 . 1 1 92 92 LEU C C 92 177.366 177.366 176.590 0.776 19151 6642 1 9 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.127 0.790 19151 6643 1 9 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.224 -2.824 19151 6644 1 9 . 1 1 93 93 GLY N N 93 110.663 110.663 107.988 2.675 19151 6645 1 9 . 1 1 93 93 GLY C C 93 172.029 172.029 171.770 0.259 19151 6646 1 9 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.654 0.076 19151 6647 1 9 . 1 1 93 93 GLY H H 93 8.687 8.687 8.746 -0.059 19151 6648 1 9 . 1 1 94 94 ASP N N 94 119.304 119.304 120.910 -1.606 19151 6649 1 9 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.299 -0.039 19151 6650 1 9 . 1 1 94 94 ASP C C 94 176.978 176.978 177.206 -0.228 19151 6651 1 9 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.398 1.209 19151 6652 1 9 . 1 1 94 94 ASP CB C 94 43.000 43.000 41.553 1.447 19151 6653 1 9 . 1 1 94 94 ASP H H 94 8.129 8.129 8.374 -0.245 19151 6654 1 9 . 1 1 95 95 SER N N 95 123.897 123.897 123.515 0.382 19151 6655 1 9 . 1 1 95 95 SER HA H 95 3.895 3.895 4.387 -0.492 19151 6656 1 9 . 1 1 95 95 SER C C 95 175.243 175.243 175.502 -0.259 19151 6657 1 9 . 1 1 95 95 SER CA C 95 60.183 60.183 59.779 0.404 19151 6658 1 9 . 1 1 95 95 SER CB C 95 61.700 61.700 62.940 -1.240 19151 6659 1 9 . 1 1 95 95 SER H H 95 8.878 8.878 9.470 -0.592 19151 6660 1 9 . 1 1 96 96 SER N N 96 119.248 119.248 117.041 2.207 19151 6661 1 9 . 1 1 96 96 SER HA H 96 4.209 4.209 4.215 -0.006 19151 6662 1 9 . 1 1 96 96 SER C C 96 173.900 173.900 175.097 -1.197 19151 6663 1 9 . 1 1 96 96 SER CA C 96 60.197 60.197 59.989 0.208 19151 6664 1 9 . 1 1 96 96 SER CB C 96 63.000 63.000 63.320 -0.320 19151 6665 1 9 . 1 1 96 96 SER H H 96 9.124 9.124 8.111 1.013 19151 6666 1 9 . 1 1 97 97 TYR N N 97 120.889 120.889 119.735 1.154 19151 6667 1 9 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.521 0.367 19151 6668 1 9 . 1 1 97 97 TYR C C 97 175.972 175.972 175.501 0.471 19151 6669 1 9 . 1 1 97 97 TYR CA C 97 55.750 55.750 57.960 -2.210 19151 6670 1 9 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.415 0.405 19151 6671 1 9 . 1 1 97 97 TYR H H 97 7.664 7.664 7.822 -0.158 19151 6672 1 9 . 1 1 98 98 VAL N N 98 116.952 116.952 118.720 -1.768 19151 6673 1 9 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.970 0.090 19151 6674 1 9 . 1 1 98 98 VAL C C 98 175.969 175.969 176.206 -0.237 19151 6675 1 9 . 1 1 98 98 VAL CA C 98 62.840 62.840 62.396 0.444 19151 6676 1 9 . 1 1 98 98 VAL CB C 98 32.600 32.600 33.037 -0.437 19151 6677 1 9 . 1 1 98 98 VAL H H 98 7.970 7.970 8.220 -0.250 19151 6678 1 9 . 1 1 99 99 ASN N N 99 118.156 118.156 115.684 2.472 19151 6679 1 9 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.404 0.107 19151 6680 1 9 . 1 1 99 99 ASN C C 99 174.329 174.329 175.696 -1.367 19151 6681 1 9 . 1 1 99 99 ASN CA C 99 53.031 53.031 54.555 -1.524 19151 6682 1 9 . 1 1 99 99 ASN CB C 99 37.238 37.238 36.615 0.623 19151 6683 1 9 . 1 1 99 99 ASN H H 99 8.296 8.296 8.638 -0.342 19151 6684 1 9 . 1 1 100 100 PHE N N 100 118.649 118.649 117.886 0.763 19151 6685 1 9 . 1 1 100 100 PHE HA H 100 4.415 4.415 3.940 0.475 19151 6686 1 9 . 1 1 100 100 PHE C C 100 174.400 174.400 175.388 -0.988 19151 6687 1 9 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.447 -3.257 19151 6688 1 9 . 1 1 100 100 PHE CB C 100 39.679 39.679 37.799 1.880 19151 6689 1 9 . 1 1 100 100 PHE H H 100 7.855 7.855 8.238 -0.383 19151 6690 1 9 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.291 -0.706 19151 6691 1 9 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.352 5.388 19151 6692 1 9 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.250 -1.250 19151 6693 1 9 . 1 1 101 101 CYS H H 101 9.240 9.240 7.795 1.445 19151 6694 1 9 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.351 -0.131 19151 6695 1 9 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.645 0.555 19151 6696 1 9 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.731 -0.131 19151 6697 1 9 . 1 1 102 102 ASN H H 102 8.300 8.300 8.682 -0.382 19151 6698 1 9 . 1 1 103 103 GLY C C 103 175.690 175.690 175.812 -0.122 19151 6699 1 9 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.149 0.201 19151 6700 1 9 . 1 1 104 104 GLY N N 104 106.150 106.150 109.164 -3.014 19151 6701 1 9 . 1 1 104 104 GLY C C 104 174.570 174.570 176.198 -1.628 19151 6702 1 9 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.051 1.298 19151 6703 1 9 . 1 1 104 104 GLY H H 104 7.108 7.108 7.636 -0.528 19151 6704 1 9 . 1 1 105 105 LYS N N 105 120.732 120.732 122.336 -1.604 19151 6705 1 9 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.993 -0.056 19151 6706 1 9 . 1 1 105 105 LYS C C 105 179.706 179.706 178.926 0.780 19151 6707 1 9 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.896 0.412 19151 6708 1 9 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.166 -0.369 19151 6709 1 9 . 1 1 105 105 LYS H H 105 7.708 7.708 7.491 0.217 19151 6710 1 9 . 1 1 106 106 GLN N N 106 119.087 119.087 117.645 1.442 19151 6711 1 9 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.204 -0.062 19151 6712 1 9 . 1 1 106 106 GLN C C 106 179.418 179.418 178.485 0.933 19151 6713 1 9 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.497 0.378 19151 6714 1 9 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.433 0.326 19151 6715 1 9 . 1 1 106 106 GLN H H 106 8.738 8.738 8.673 0.065 19151 6716 1 9 . 1 1 107 107 PHE N N 107 123.088 123.088 119.565 3.523 19151 6717 1 9 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.307 -0.057 19151 6718 1 9 . 1 1 107 107 PHE C C 107 178.403 178.403 177.857 0.546 19151 6719 1 9 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.843 0.342 19151 6720 1 9 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.931 0.520 19151 6721 1 9 . 1 1 107 107 PHE H H 107 7.922 7.922 7.682 0.240 19151 6722 1 9 . 1 1 108 108 ASP N N 108 117.118 117.118 120.508 -3.390 19151 6723 1 9 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.607 -0.233 19151 6724 1 9 . 1 1 108 108 ASP C C 108 176.973 176.973 178.094 -1.121 19151 6725 1 9 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.733 0.696 19151 6726 1 9 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.041 3.082 19151 6727 1 9 . 1 1 108 108 ASP H H 108 8.305 8.305 8.244 0.061 19151 6728 1 9 . 1 1 109 109 ALA N N 109 118.590 118.590 122.451 -3.861 19151 6729 1 9 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.109 -0.059 19151 6730 1 9 . 1 1 109 109 ALA C C 109 180.430 180.430 179.729 0.701 19151 6731 1 9 . 1 1 109 109 ALA CA C 109 55.196 55.196 54.962 0.234 19151 6732 1 9 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.375 -0.268 19151 6733 1 9 . 1 1 109 109 ALA H H 109 8.332 8.332 8.152 0.180 19151 6734 1 9 . 1 1 110 110 LEU N N 110 120.402 120.402 120.051 0.351 19151 6735 1 9 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.862 0.223 19151 6736 1 9 . 1 1 110 110 LEU C C 110 177.801 177.801 178.952 -1.151 19151 6737 1 9 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.578 0.062 19151 6738 1 9 . 1 1 110 110 LEU CB C 110 41.756 41.756 41.015 0.741 19151 6739 1 9 . 1 1 110 110 LEU H H 110 7.868 7.868 7.693 0.175 19151 6740 1 9 . 1 1 111 111 LEU N N 111 116.945 116.945 117.335 -0.390 19151 6741 1 9 . 1 1 111 111 LEU HA H 111 3.718 3.718 4.096 -0.378 19151 6742 1 9 . 1 1 111 111 LEU C C 111 179.838 179.838 179.568 0.270 19151 6743 1 9 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.405 0.560 19151 6744 1 9 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.481 -2.621 19151 6745 1 9 . 1 1 111 111 LEU H H 111 7.704 7.704 7.337 0.367 19151 6746 1 9 . 1 1 112 112 GLN N N 112 118.484 118.484 116.167 2.317 19151 6747 1 9 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.123 0.018 19151 6748 1 9 . 1 1 112 112 GLN C C 112 181.218 181.218 178.054 3.164 19151 6749 1 9 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.516 1.450 19151 6750 1 9 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.221 1.039 19151 6751 1 9 . 1 1 112 112 GLN H H 112 8.441 8.441 7.798 0.643 19151 6752 1 9 . 1 1 113 113 GLU N N 113 122.905 122.905 117.372 5.533 19151 6753 1 9 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.157 0.024 19151 6754 1 9 . 1 1 113 113 GLU C C 113 178.001 178.001 177.287 0.714 19151 6755 1 9 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.843 1.142 19151 6756 1 9 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.564 -0.294 19151 6757 1 9 . 1 1 113 113 GLU H H 113 8.305 8.305 7.891 0.414 19151 6758 1 9 . 1 1 114 114 GLN N N 114 117.332 117.332 118.812 -1.480 19151 6759 1 9 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.370 0.225 19151 6760 1 9 . 1 1 114 114 GLN C C 114 174.538 174.538 176.963 -2.425 19151 6761 1 9 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.438 -1.020 19151 6762 1 9 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.907 -5.077 19151 6763 1 9 . 1 1 114 114 GLN H H 114 7.520 7.520 7.613 -0.093 19151 6764 1 9 . 1 1 115 115 SER N N 115 109.100 109.100 109.820 -0.720 19151 6765 1 9 . 1 1 115 115 SER HA H 115 4.200 4.200 4.460 -0.260 19151 6766 1 9 . 1 1 115 115 SER C C 115 172.302 172.302 173.957 -1.655 19151 6767 1 9 . 1 1 115 115 SER CA C 115 60.400 60.400 58.470 1.930 19151 6768 1 9 . 1 1 115 115 SER CB C 115 61.325 61.325 64.511 -3.186 19151 6769 1 9 . 1 1 115 115 SER H H 115 7.950 7.950 8.023 -0.073 19151 6770 1 9 . 1 1 116 116 ALA N N 116 121.059 121.059 125.867 -4.808 19151 6771 1 9 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.239 0.555 19151 6772 1 9 . 1 1 116 116 ALA C C 116 176.774 176.774 176.439 0.335 19151 6773 1 9 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.567 -0.877 19151 6774 1 9 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.282 1.083 19151 6775 1 9 . 1 1 116 116 ALA H H 116 7.813 7.813 7.532 0.281 19151 6776 1 9 . 1 1 117 117 GLN N N 117 118.000 118.000 118.714 -0.714 19151 6777 1 9 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.612 0.006 19151 6778 1 9 . 1 1 117 117 GLN C C 117 173.769 173.769 176.001 -2.232 19151 6779 1 9 . 1 1 117 117 GLN CA C 117 54.556 54.556 55.201 -0.645 19151 6780 1 9 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.022 -0.287 19151 6781 1 9 . 1 1 117 117 GLN H H 117 8.591 8.591 8.685 -0.094 19151 6782 1 9 . 1 1 118 118 ARG N N 118 127.947 127.947 119.942 8.005 19151 6783 1 9 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.013 -1.705 19151 6784 1 9 . 1 1 118 118 ARG C C 118 176.758 176.758 175.293 1.465 19151 6785 1 9 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.676 1.510 19151 6786 1 9 . 1 1 118 118 ARG CB C 118 30.310 30.310 33.516 -3.206 19151 6787 1 9 . 1 1 118 118 ARG H H 118 8.659 8.659 8.565 0.094 19151 6788 1 9 . 1 1 119 119 VAL N N 119 131.939 131.939 120.827 11.112 19151 6789 1 9 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.251 -0.138 19151 6790 1 9 . 1 1 119 119 VAL C C 119 176.775 176.775 175.478 1.297 19151 6791 1 9 . 1 1 119 119 VAL CA C 119 62.174 62.174 60.641 1.533 19151 6792 1 9 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.641 -1.247 19151 6793 1 9 . 1 1 119 119 VAL H H 119 9.520 9.520 8.751 0.769 19151 6794 1 9 . 1 1 120 120 GLY N N 120 116.074 116.074 107.368 8.706 19151 6795 1 9 . 1 1 120 120 GLY C C 120 172.757 172.757 174.439 -1.682 19151 6796 1 9 . 1 1 120 120 GLY CA C 120 43.898 43.898 44.783 -0.885 19151 6797 1 9 . 1 1 120 120 GLY H H 120 8.755 8.755 8.230 0.525 19151 6798 1 9 . 1 1 121 121 GLU N N 121 118.754 118.754 120.817 -2.063 19151 6799 1 9 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.229 0.437 19151 6800 1 9 . 1 1 121 121 GLU C C 121 177.419 177.419 177.094 0.325 19151 6801 1 9 . 1 1 121 121 GLU CA C 121 54.491 54.491 57.414 -2.923 19151 6802 1 9 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.214 1.284 19151 6803 1 9 . 1 1 121 121 GLU H H 121 8.594 8.594 8.540 0.054 19151 6804 1 9 . 1 1 122 122 MET N N 122 122.642 122.642 122.350 0.292 19151 6805 1 9 . 1 1 122 122 MET HA H 122 4.415 4.415 4.709 -0.294 19151 6806 1 9 . 1 1 122 122 MET C C 122 175.351 175.351 175.388 -0.037 19151 6807 1 9 . 1 1 122 122 MET CA C 122 57.024 57.024 55.068 1.956 19151 6808 1 9 . 1 1 122 122 MET CB C 122 34.210 34.210 33.311 0.899 19151 6809 1 9 . 1 1 122 122 MET H H 122 8.892 8.892 8.470 0.422 19151 6810 1 9 . 1 1 123 123 LEU N N 123 129.535 129.535 122.940 6.595 19151 6811 1 9 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.414 -0.064 19151 6812 1 9 . 1 1 123 123 LEU C C 123 173.124 173.124 174.087 -0.963 19151 6813 1 9 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.166 0.573 19151 6814 1 9 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.840 -1.762 19151 6815 1 9 . 1 1 123 123 LEU H H 123 7.868 7.868 7.747 0.121 19151 6816 1 9 . 1 1 124 124 LEU N N 124 127.120 127.120 126.081 1.039 19151 6817 1 9 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.726 0.329 19151 6818 1 9 . 1 1 124 124 LEU C C 124 176.379 176.379 176.086 0.293 19151 6819 1 9 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.139 0.411 19151 6820 1 9 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.805 -1.427 19151 6821 1 9 . 1 1 124 124 LEU H H 124 8.346 8.346 8.216 0.130 19151 6822 1 9 . 1 1 125 125 ILE N N 125 124.337 124.337 124.777 -0.440 19151 6823 1 9 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.274 -0.094 19151 6824 1 9 . 1 1 125 125 ILE C C 125 174.303 174.303 174.674 -0.371 19151 6825 1 9 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.657 0.443 19151 6826 1 9 . 1 1 125 125 ILE CB C 125 39.943 39.943 41.044 -1.101 19151 6827 1 9 . 1 1 125 125 ILE H H 125 8.974 8.974 8.549 0.425 19151 6828 1 9 . 1 1 126 126 ASP N N 126 127.113 127.113 128.109 -0.996 19151 6829 1 9 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.556 -0.441 19151 6830 1 9 . 1 1 126 126 ASP C C 126 176.766 176.766 176.663 0.103 19151 6831 1 9 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.149 -0.302 19151 6832 1 9 . 1 1 126 126 ASP CB C 126 41.100 41.100 41.777 -0.677 19151 6833 1 9 . 1 1 126 126 ASP H H 126 9.397 9.397 8.905 0.492 19151 6834 1 9 . 1 1 127 127 ALA N N 127 131.178 131.178 131.079 0.099 19151 6835 1 9 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.448 -0.132 19151 6836 1 9 . 1 1 127 127 ALA C C 127 178.530 178.530 178.873 -0.343 19151 6837 1 9 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.187 -0.340 19151 6838 1 9 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.029 -0.237 19151 6839 1 9 . 1 1 127 127 ALA H H 127 9.696 9.696 9.166 0.530 19151 6840 1 9 . 1 1 128 128 SER N N 128 112.064 112.064 113.264 -1.200 19151 6841 1 9 . 1 1 128 128 SER HA H 128 4.224 4.224 4.290 -0.066 19151 6842 1 9 . 1 1 128 128 SER C C 128 175.000 175.000 175.634 -0.634 19151 6843 1 9 . 1 1 128 128 SER CA C 128 61.246 61.246 61.083 0.163 19151 6844 1 9 . 1 1 128 128 SER CB C 128 63.310 63.310 63.620 -0.310 19151 6845 1 9 . 1 1 128 128 SER H H 128 8.373 8.373 8.289 0.084 19151 6846 1 9 . 1 1 129 129 GLU N N 129 119.468 119.468 118.810 0.658 19151 6847 1 9 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.444 -0.044 19151 6848 1 9 . 1 1 129 129 GLU C C 129 175.947 175.947 176.051 -0.104 19151 6849 1 9 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.975 -0.560 19151 6850 1 9 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.684 0.046 19151 6851 1 9 . 1 1 129 129 GLU H H 129 7.267 7.267 7.576 -0.309 19151 6852 1 9 . 1 1 130 130 ASN N N 130 115.968 115.968 118.225 -2.257 19151 6853 1 9 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.122 0.044 19151 6854 1 9 . 1 1 130 130 ASN C C 130 172.000 172.000 173.999 -1.999 19151 6855 1 9 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.810 -0.587 19151 6856 1 9 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.833 -0.167 19151 6857 1 9 . 1 1 130 130 ASN H H 130 8.072 8.072 8.303 -0.231 19151 6858 1 9 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.474 0.076 19151 6859 1 9 . 1 1 131 131 PRO C C 131 176.400 176.400 176.177 0.223 19151 6860 1 9 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.934 -0.433 19151 6861 1 9 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.683 0.617 19151 6862 1 9 . 1 1 132 132 GLU N N 132 119.000 119.000 118.508 0.492 19151 6863 1 9 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.850 0.170 19151 6864 1 9 . 1 1 132 132 GLU C C 132 174.200 174.200 175.239 -1.039 19151 6865 1 9 . 1 1 132 132 GLU CA C 132 53.000 53.000 52.965 0.035 19151 6866 1 9 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.315 0.385 19151 6867 1 9 . 1 1 132 132 GLU H H 132 7.690 7.690 8.120 -0.430 19151 6868 1 9 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.186 -0.186 19151 6869 1 9 . 1 1 133 133 PRO C C 133 177.391 177.391 177.976 -0.585 19151 6870 1 9 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.445 0.024 19151 6871 1 9 . 1 1 133 133 PRO CB C 133 32.145 32.145 32.044 0.101 19151 6872 1 9 . 1 1 134 134 GLU N N 134 122.846 122.846 117.589 5.257 19151 6873 1 9 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.301 0.919 19151 6874 1 9 . 1 1 134 134 GLU C C 134 178.385 178.385 179.107 -0.722 19151 6875 1 9 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.458 -1.866 19151 6876 1 9 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.262 -1.672 19151 6877 1 9 . 1 1 134 134 GLU H H 134 10.707 10.707 8.967 1.740 19151 6878 1 9 . 1 1 135 135 THR N N 135 113.016 113.016 110.018 2.998 19151 6879 1 9 . 1 1 135 135 THR HA H 135 4.182 4.182 4.251 -0.069 19151 6880 1 9 . 1 1 135 135 THR C C 135 176.460 176.460 175.951 0.509 19151 6881 1 9 . 1 1 135 135 THR CA C 135 64.752 64.752 64.710 0.042 19151 6882 1 9 . 1 1 135 135 THR CB C 135 69.248 69.248 69.027 0.221 19151 6883 1 9 . 1 1 135 135 THR H H 135 8.168 8.168 8.045 0.123 19151 6884 1 9 . 1 1 136 136 GLU N N 136 118.978 118.978 121.571 -2.593 19151 6885 1 9 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.484 0.080 19151 6886 1 9 . 1 1 136 136 GLU C C 136 178.370 178.370 178.580 -0.210 19151 6887 1 9 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.045 -1.132 19151 6888 1 9 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.729 1.371 19151 6889 1 9 . 1 1 136 136 GLU H H 136 7.680 7.680 7.722 -0.042 19151 6890 1 9 . 1 1 137 137 SER N N 137 116.501 116.501 115.917 0.584 19151 6891 1 9 . 1 1 137 137 SER HA H 137 4.033 4.033 4.222 -0.189 19151 6892 1 9 . 1 1 137 137 SER C C 137 175.670 175.670 176.717 -1.047 19151 6893 1 9 . 1 1 137 137 SER CA C 137 62.330 62.330 61.813 0.517 19151 6894 1 9 . 1 1 137 137 SER CB C 137 61.380 61.380 63.049 -1.669 19151 6895 1 9 . 1 1 137 137 SER H H 137 8.824 8.824 8.610 0.214 19151 6896 1 9 . 1 1 138 138 ASN N N 138 123.517 123.517 120.698 2.819 19151 6897 1 9 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.733 -0.142 19151 6898 1 9 . 1 1 138 138 ASN C C 138 175.700 175.700 175.597 0.103 19151 6899 1 9 . 1 1 138 138 ASN CA C 138 57.486 57.486 56.710 0.776 19151 6900 1 9 . 1 1 138 138 ASN CB C 138 34.253 34.253 35.977 -1.724 19151 6901 1 9 . 1 1 138 138 ASN H H 138 8.564 8.564 8.136 0.428 19151 6902 1 9 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.404 0.051 19151 6903 1 9 . 1 1 139 139 PRO C C 139 180.033 180.033 178.566 1.467 19151 6904 1 9 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.420 0.190 19151 6905 1 9 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.392 -0.856 19151 6906 1 9 . 1 1 140 140 TRP N N 140 119.700 119.700 121.669 -1.969 19151 6907 1 9 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.423 -0.090 19151 6908 1 9 . 1 1 140 140 TRP C C 140 179.195 179.195 177.690 1.505 19151 6909 1 9 . 1 1 140 140 TRP CA C 140 62.180 62.180 62.123 0.057 19151 6910 1 9 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.540 1.211 19151 6911 1 9 . 1 1 140 140 TRP H H 140 7.057 7.057 7.569 -0.512 19151 6912 1 9 . 1 1 141 141 VAL N N 141 122.879 122.879 119.173 3.706 19151 6913 1 9 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.666 0.070 19151 6914 1 9 . 1 1 141 141 VAL C C 141 177.416 177.416 178.506 -1.090 19151 6915 1 9 . 1 1 141 141 VAL CA C 141 66.716 66.716 66.908 -0.192 19151 6916 1 9 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.398 0.034 19151 6917 1 9 . 1 1 141 141 VAL H H 141 9.629 9.629 8.775 0.854 19151 6918 1 9 . 1 1 142 142 GLU N N 142 119.965 119.965 120.460 -0.495 19151 6919 1 9 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.919 -0.187 19151 6920 1 9 . 1 1 142 142 GLU C C 142 178.800 178.800 178.328 0.472 19151 6921 1 9 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.862 -0.530 19151 6922 1 9 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.830 -0.270 19151 6923 1 9 . 1 1 142 142 GLU H H 142 8.551 8.551 8.257 0.294 19151 6924 1 9 . 1 1 143 143 HIS N N 143 115.364 115.364 119.567 -4.203 19151 6925 1 9 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.202 0.088 19151 6926 1 9 . 1 1 143 143 HIS C C 143 177.840 177.840 176.801 1.039 19151 6927 1 9 . 1 1 143 143 HIS CA C 143 59.363 59.363 59.629 -0.266 19151 6928 1 9 . 1 1 143 143 HIS CB C 143 29.362 29.362 29.848 -0.486 19151 6929 1 9 . 1 1 143 143 HIS H H 143 7.380 7.380 7.947 -0.567 19151 6930 1 9 . 1 1 144 144 TRP N N 144 126.680 126.680 121.131 5.549 19151 6931 1 9 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.851 -0.517 19151 6932 1 9 . 1 1 144 144 TRP C C 144 178.200 178.200 178.455 -0.255 19151 6933 1 9 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.784 2.176 19151 6934 1 9 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.390 0.135 19151 6935 1 9 . 1 1 144 144 TRP H H 144 9.215 9.215 8.546 0.669 19151 6936 1 9 . 1 1 145 145 GLY N N 145 100.130 100.130 105.431 -5.301 19151 6937 1 9 . 1 1 145 145 GLY C C 145 177.391 177.391 175.308 2.083 19151 6938 1 9 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.307 -0.547 19151 6939 1 9 . 1 1 145 145 GLY H H 145 8.834 8.834 8.500 0.334 19151 6940 1 9 . 1 1 146 146 THR N N 146 110.831 110.831 114.074 -3.243 19151 6941 1 9 . 1 1 146 146 THR HA H 146 4.319 4.319 4.029 0.290 19151 6942 1 9 . 1 1 146 146 THR C C 146 175.574 175.574 175.633 -0.059 19151 6943 1 9 . 1 1 146 146 THR CA C 146 63.260 63.260 63.989 -0.729 19151 6944 1 9 . 1 1 146 146 THR CB C 146 69.660 69.660 68.338 1.322 19151 6945 1 9 . 1 1 146 146 THR H H 146 7.594 7.594 7.386 0.208 19151 6946 1 9 . 1 1 147 147 LEU N N 147 120.678 120.678 119.506 1.172 19151 6947 1 9 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.065 -0.007 19151 6948 1 9 . 1 1 147 147 LEU C C 147 177.176 177.176 176.322 0.854 19151 6949 1 9 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.298 -0.984 19151 6950 1 9 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.260 -0.032 19151 6951 1 9 . 1 1 147 147 LEU H H 147 7.458 7.458 7.365 0.093 19151 6952 1 9 . 1 1 148 148 LEU N N 148 117.062 117.062 118.318 -1.256 19151 6953 1 9 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.845 -0.127 19151 6954 1 9 . 1 1 148 148 LEU C C 148 175.570 175.570 176.440 -0.870 19151 6955 1 9 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.014 -0.063 19151 6956 1 9 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.341 -1.741 19151 6957 1 9 . 1 1 148 148 LEU H H 148 6.482 6.482 6.913 -0.431 19151 6958 1 10 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.740 -0.511 19151 6959 1 10 . 1 1 2 2 ALA C C 2 173.315 173.315 174.566 -1.251 19151 6960 1 10 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.802 -0.222 19151 6961 1 10 . 1 1 2 2 ALA CB C 2 20.223 20.223 22.577 -2.354 19151 6962 1 10 . 1 1 3 3 GLU N N 3 121.874 121.874 119.645 2.229 19151 6963 1 10 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.433 -0.159 19151 6964 1 10 . 1 1 3 3 GLU C C 3 174.545 174.545 175.192 -0.647 19151 6965 1 10 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.319 0.531 19151 6966 1 10 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.341 -0.621 19151 6967 1 10 . 1 1 3 3 GLU H H 3 8.696 8.696 8.507 0.189 19151 6968 1 10 . 1 1 4 4 ILE N N 4 120.672 120.672 125.152 -4.480 19151 6969 1 10 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.779 0.330 19151 6970 1 10 . 1 1 4 4 ILE C C 4 175.463 175.463 174.992 0.471 19151 6971 1 10 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.103 -0.270 19151 6972 1 10 . 1 1 4 4 ILE CB C 4 43.670 43.670 39.974 3.696 19151 6973 1 10 . 1 1 4 4 ILE H H 4 8.860 8.860 9.091 -0.231 19151 6974 1 10 . 1 1 5 5 GLY N N 5 119.310 119.310 114.940 4.370 19151 6975 1 10 . 1 1 5 5 GLY C C 5 171.260 171.260 172.992 -1.732 19151 6976 1 10 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.715 0.105 19151 6977 1 10 . 1 1 5 5 GLY H H 5 8.469 8.469 8.003 0.466 19151 6978 1 10 . 1 1 6 6 ILE N N 6 126.915 126.915 126.374 0.541 19151 6979 1 10 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.074 0.116 19151 6980 1 10 . 1 1 6 6 ILE C C 6 173.901 173.901 174.528 -0.627 19151 6981 1 10 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.664 -0.664 19151 6982 1 10 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.751 -1.751 19151 6983 1 10 . 1 1 6 6 ILE H H 6 9.056 9.056 9.320 -0.264 19151 6984 1 10 . 1 1 7 7 PHE N N 7 127.354 127.354 127.710 -0.356 19151 6985 1 10 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.220 -0.708 19151 6986 1 10 . 1 1 7 7 PHE C C 7 174.230 174.230 174.711 -0.481 19151 6987 1 10 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.422 1.988 19151 6988 1 10 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.563 1.165 19151 6989 1 10 . 1 1 7 7 PHE H H 7 8.960 8.960 9.655 -0.695 19151 6990 1 10 . 1 1 8 8 VAL N N 8 127.270 127.270 124.730 2.540 19151 6991 1 10 . 1 1 8 8 VAL HA H 8 5.060 5.060 4.875 0.185 19151 6992 1 10 . 1 1 8 8 VAL C C 8 175.450 175.450 174.796 0.654 19151 6993 1 10 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.499 0.701 19151 6994 1 10 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.507 0.930 19151 6995 1 10 . 1 1 8 8 VAL H H 8 8.581 8.581 7.983 0.598 19151 6996 1 10 . 1 1 9 9 GLY N N 9 115.000 115.000 115.390 -0.390 19151 6997 1 10 . 1 1 9 9 GLY C C 9 173.150 173.150 172.772 0.378 19151 6998 1 10 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.441 0.559 19151 6999 1 10 . 1 1 9 9 GLY H H 9 9.393 9.393 9.037 0.356 19151 7000 1 10 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.780 -0.085 19151 7001 1 10 . 1 1 12 12 TYR C C 12 176.560 176.560 176.606 -0.046 19151 7002 1 10 . 1 1 12 12 TYR CA C 12 57.750 57.750 56.932 0.818 19151 7003 1 10 . 1 1 12 12 TYR CB C 12 38.000 38.000 40.513 -2.513 19151 7004 1 10 . 1 1 13 13 GLY N N 13 109.870 109.870 109.287 0.583 19151 7005 1 10 . 1 1 13 13 GLY C C 13 175.930 175.930 175.121 0.809 19151 7006 1 10 . 1 1 13 13 GLY CA C 13 46.000 46.000 47.002 -1.002 19151 7007 1 10 . 1 1 13 13 GLY H H 13 8.500 8.500 9.013 -0.513 19151 7008 1 10 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.522 -0.292 19151 7009 1 10 . 1 1 17 17 LEU C C 17 179.210 179.210 176.850 2.360 19151 7010 1 10 . 1 1 17 17 LEU CA C 17 58.400 58.400 56.300 2.100 19151 7011 1 10 . 1 1 17 17 LEU CB C 17 41.300 41.300 43.119 -1.819 19151 7012 1 10 . 1 1 18 18 VAL N N 18 117.231 117.231 121.987 -4.756 19151 7013 1 10 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.667 -0.344 19151 7014 1 10 . 1 1 18 18 VAL C C 18 178.460 178.460 177.812 0.648 19151 7015 1 10 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.595 0.271 19151 7016 1 10 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.971 0.488 19151 7017 1 10 . 1 1 18 18 VAL H H 18 7.645 7.645 7.623 0.022 19151 7018 1 10 . 1 1 19 19 ALA N N 19 121.820 121.820 121.617 0.203 19151 7019 1 10 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.932 -0.116 19151 7020 1 10 . 1 1 19 19 ALA C C 19 178.180 178.180 179.476 -1.296 19151 7021 1 10 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.565 0.011 19151 7022 1 10 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.028 1.972 19151 7023 1 10 . 1 1 19 19 ALA H H 19 8.010 8.010 8.592 -0.582 19151 7024 1 10 . 1 1 20 20 GLU N N 20 118.960 118.960 118.205 0.755 19151 7025 1 10 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.003 0.013 19151 7026 1 10 . 1 1 20 20 GLU C C 20 180.950 180.950 179.427 1.523 19151 7027 1 10 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.309 0.357 19151 7028 1 10 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.328 -0.028 19151 7029 1 10 . 1 1 20 20 GLU H H 20 8.700 8.700 7.999 0.701 19151 7030 1 10 . 1 1 21 21 GLU N N 21 121.371 121.371 119.812 1.559 19151 7031 1 10 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.117 -0.073 19151 7032 1 10 . 1 1 21 21 GLU C C 21 179.419 179.419 178.884 0.535 19151 7033 1 10 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.215 0.095 19151 7034 1 10 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.351 0.210 19151 7035 1 10 . 1 1 21 21 GLU H H 21 8.632 8.632 7.895 0.737 19151 7036 1 10 . 1 1 22 22 ALA N N 22 121.329 121.329 122.979 -1.650 19151 7037 1 10 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.078 -0.020 19151 7038 1 10 . 1 1 22 22 ALA C C 22 178.823 178.823 179.372 -0.549 19151 7039 1 10 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.607 -0.930 19151 7040 1 10 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.165 -0.522 19151 7041 1 10 . 1 1 22 22 ALA H H 22 8.182 8.182 8.635 -0.453 19151 7042 1 10 . 1 1 23 23 GLU N N 23 119.035 119.035 119.173 -0.138 19151 7043 1 10 . 1 1 23 23 GLU HA H 23 3.404 3.404 3.993 -0.589 19151 7044 1 10 . 1 1 23 23 GLU C C 23 178.375 178.375 178.565 -0.190 19151 7045 1 10 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.752 0.556 19151 7046 1 10 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.628 -0.698 19151 7047 1 10 . 1 1 23 23 GLU H H 23 8.387 8.387 8.494 -0.107 19151 7048 1 10 . 1 1 24 24 ALA N N 24 122.207 122.207 121.795 0.412 19151 7049 1 10 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.115 -0.085 19151 7050 1 10 . 1 1 24 24 ALA C C 24 181.132 181.132 179.868 1.264 19151 7051 1 10 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.096 0.391 19151 7052 1 10 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.654 -0.654 19151 7053 1 10 . 1 1 24 24 ALA H H 24 7.535 7.535 7.556 -0.021 19151 7054 1 10 . 1 1 25 25 ILE N N 25 121.059 121.059 120.206 0.853 19151 7055 1 10 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.732 -0.068 19151 7056 1 10 . 1 1 25 25 ILE C C 25 178.419 178.419 177.948 0.471 19151 7057 1 10 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.007 -0.899 19151 7058 1 10 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.141 0.822 19151 7059 1 10 . 1 1 25 25 ILE H H 25 7.800 7.800 8.545 -0.745 19151 7060 1 10 . 1 1 26 26 LEU N N 26 119.307 119.307 120.487 -1.180 19151 7061 1 10 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.171 0.005 19151 7062 1 10 . 1 1 26 26 LEU C C 26 179.863 179.863 179.657 0.206 19151 7063 1 10 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.278 -0.332 19151 7064 1 10 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.252 -0.112 19151 7065 1 10 . 1 1 26 26 LEU H H 26 8.509 8.509 8.626 -0.117 19151 7066 1 10 . 1 1 27 27 THR N N 27 117.830 117.830 116.224 1.606 19151 7067 1 10 . 1 1 27 27 THR HA H 27 4.524 4.524 4.361 0.163 19151 7068 1 10 . 1 1 27 27 THR C C 27 179.027 179.027 176.286 2.741 19151 7069 1 10 . 1 1 27 27 THR CA C 27 66.000 66.000 66.588 -0.588 19151 7070 1 10 . 1 1 27 27 THR CB C 27 68.600 68.600 68.558 0.042 19151 7071 1 10 . 1 1 27 27 THR H H 27 8.796 8.796 8.390 0.406 19151 7072 1 10 . 1 1 28 28 ALA N N 28 126.313 126.313 122.293 4.020 19151 7073 1 10 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.162 0.043 19151 7074 1 10 . 1 1 28 28 ALA C C 28 179.360 179.360 179.712 -0.352 19151 7075 1 10 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.340 0.660 19151 7076 1 10 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.298 -0.648 19151 7077 1 10 . 1 1 28 28 ALA H H 28 7.832 7.832 7.922 -0.090 19151 7078 1 10 . 1 1 29 29 GLN N N 29 115.527 115.527 115.268 0.259 19151 7079 1 10 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.160 -0.033 19151 7080 1 10 . 1 1 29 29 GLN C C 29 176.547 176.547 177.057 -0.510 19151 7081 1 10 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.068 -0.505 19151 7082 1 10 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.639 -0.229 19151 7083 1 10 . 1 1 29 29 GLN H H 29 7.353 7.353 8.478 -1.125 19151 7084 1 10 . 1 1 30 30 GLY N N 30 105.961 105.961 106.042 -0.081 19151 7085 1 10 . 1 1 30 30 GLY C C 30 174.785 174.785 173.081 1.704 19151 7086 1 10 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.675 -0.175 19151 7087 1 10 . 1 1 30 30 GLY H H 30 7.923 7.923 7.588 0.335 19151 7088 1 10 . 1 1 31 31 HIS N N 31 119.471 119.471 117.105 2.366 19151 7089 1 10 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.948 -0.113 19151 7090 1 10 . 1 1 31 31 HIS C C 31 174.665 174.665 173.262 1.403 19151 7091 1 10 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.400 1.442 19151 7092 1 10 . 1 1 31 31 HIS CB C 31 32.000 32.000 32.762 -0.762 19151 7093 1 10 . 1 1 31 31 HIS H H 31 7.558 7.558 8.091 -0.533 19151 7094 1 10 . 1 1 32 32 LYS N N 32 121.854 121.854 121.864 -0.010 19151 7095 1 10 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.565 0.158 19151 7096 1 10 . 1 1 32 32 LYS C C 32 174.466 174.466 174.764 -0.298 19151 7097 1 10 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.671 0.194 19151 7098 1 10 . 1 1 32 32 LYS CB C 32 32.960 32.960 31.756 1.204 19151 7099 1 10 . 1 1 32 32 LYS H H 32 8.665 8.665 8.761 -0.096 19151 7100 1 10 . 1 1 33 33 ALA N N 33 130.188 130.188 129.267 0.921 19151 7101 1 10 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.641 0.177 19151 7102 1 10 . 1 1 33 33 ALA C C 33 175.567 175.567 176.824 -1.257 19151 7103 1 10 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.602 -0.626 19151 7104 1 10 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.421 0.876 19151 7105 1 10 . 1 1 33 33 ALA H H 33 8.837 8.837 7.978 0.859 19151 7106 1 10 . 1 1 34 34 THR N N 34 117.164 117.164 117.902 -0.738 19151 7107 1 10 . 1 1 34 34 THR HA H 34 4.359 4.359 4.717 -0.358 19151 7108 1 10 . 1 1 34 34 THR C C 34 171.315 171.315 173.097 -1.782 19151 7109 1 10 . 1 1 34 34 THR CA C 34 61.840 61.840 61.565 0.275 19151 7110 1 10 . 1 1 34 34 THR CB C 34 71.800 71.800 72.640 -0.840 19151 7111 1 10 . 1 1 34 34 THR H H 34 7.826 7.826 8.840 -1.014 19151 7112 1 10 . 1 1 35 35 VAL N N 35 126.650 126.650 125.142 1.508 19151 7113 1 10 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.368 -0.185 19151 7114 1 10 . 1 1 35 35 VAL C C 35 174.675 174.675 175.321 -0.646 19151 7115 1 10 . 1 1 35 35 VAL CA C 35 61.928 61.928 62.226 -0.298 19151 7116 1 10 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.170 0.480 19151 7117 1 10 . 1 1 35 35 VAL H H 35 8.496 8.496 8.731 -0.235 19151 7118 1 10 . 1 1 36 36 PHE N N 36 127.630 127.630 127.386 0.244 19151 7119 1 10 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.692 -0.141 19151 7120 1 10 . 1 1 36 36 PHE C C 36 174.347 174.347 174.536 -0.189 19151 7121 1 10 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.553 0.929 19151 7122 1 10 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.752 -0.587 19151 7123 1 10 . 1 1 36 36 PHE H H 36 9.164 9.164 9.225 -0.061 19151 7124 1 10 . 1 1 37 37 GLU N N 37 123.516 123.516 124.143 -0.627 19151 7125 1 10 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.433 0.037 19151 7126 1 10 . 1 1 37 37 GLU C C 37 175.954 175.954 176.126 -0.172 19151 7127 1 10 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.044 -0.325 19151 7128 1 10 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.858 0.602 19151 7129 1 10 . 1 1 37 37 GLU H H 37 8.455 8.455 8.677 -0.222 19151 7130 1 10 . 1 1 38 38 ASP N N 38 120.395 120.395 122.732 -2.337 19151 7131 1 10 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.400 0.433 19151 7132 1 10 . 1 1 38 38 ASP C C 38 173.920 173.920 174.674 -0.754 19151 7133 1 10 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.262 0.215 19151 7134 1 10 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.594 0.010 19151 7135 1 10 . 1 1 38 38 ASP H H 38 9.602 9.602 8.761 0.841 19151 7136 1 10 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.478 0.202 19151 7137 1 10 . 1 1 39 39 PRO C C 39 176.274 176.274 176.284 -0.010 19151 7138 1 10 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.523 -0.539 19151 7139 1 10 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.311 1.089 19151 7140 1 10 . 1 1 40 40 GLU N N 40 119.026 119.026 121.011 -1.985 19151 7141 1 10 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.534 0.194 19151 7142 1 10 . 1 1 40 40 GLU C C 40 177.827 177.827 177.689 0.138 19151 7143 1 10 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.260 -1.290 19151 7144 1 10 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.139 2.261 19151 7145 1 10 . 1 1 40 40 GLU H H 40 9.178 9.178 8.397 0.781 19151 7146 1 10 . 1 1 41 41 LEU N N 41 123.708 123.708 124.615 -0.907 19151 7147 1 10 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.229 -0.335 19151 7148 1 10 . 1 1 41 41 LEU C C 41 178.730 178.730 178.235 0.495 19151 7149 1 10 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.666 0.741 19151 7150 1 10 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.824 -0.171 19151 7151 1 10 . 1 1 41 41 LEU H H 41 9.160 9.160 8.825 0.335 19151 7152 1 10 . 1 1 42 42 SER N N 42 110.500 110.500 114.634 -4.134 19151 7153 1 10 . 1 1 42 42 SER HA H 42 4.010 4.010 4.292 -0.282 19151 7154 1 10 . 1 1 42 42 SER C C 42 176.300 176.300 175.115 1.185 19151 7155 1 10 . 1 1 42 42 SER CA C 42 61.600 61.600 60.862 0.738 19151 7156 1 10 . 1 1 42 42 SER CB C 42 62.140 62.140 62.813 -0.673 19151 7157 1 10 . 1 1 42 42 SER H H 42 8.415 8.415 8.600 -0.185 19151 7158 1 10 . 1 1 43 43 ASP N N 43 119.770 119.770 120.670 -0.900 19151 7159 1 10 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.666 -0.209 19151 7160 1 10 . 1 1 43 43 ASP C C 43 176.150 176.150 176.166 -0.016 19151 7161 1 10 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.757 0.993 19151 7162 1 10 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.068 1.633 19151 7163 1 10 . 1 1 43 43 ASP H H 43 7.690 7.690 8.006 -0.316 19151 7164 1 10 . 1 1 44 44 TRP N N 44 118.500 118.500 120.795 -2.295 19151 7165 1 10 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.521 -0.311 19151 7166 1 10 . 1 1 44 44 TRP C C 44 177.150 177.150 177.958 -0.808 19151 7167 1 10 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.255 1.132 19151 7168 1 10 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.168 0.142 19151 7169 1 10 . 1 1 44 44 TRP H H 44 7.464 7.464 7.323 0.141 19151 7170 1 10 . 1 1 45 45 LEU N N 45 114.100 114.100 121.211 -7.111 19151 7171 1 10 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.114 0.061 19151 7172 1 10 . 1 1 45 45 LEU C C 45 176.300 176.300 175.806 0.494 19151 7173 1 10 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.200 -0.640 19151 7174 1 10 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.293 -0.073 19151 7175 1 10 . 1 1 45 45 LEU H H 45 7.550 7.550 8.518 -0.968 19151 7176 1 10 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.083 0.297 19151 7177 1 10 . 1 1 46 46 PRO C C 46 176.799 176.799 177.507 -0.708 19151 7178 1 10 . 1 1 46 46 PRO CA C 46 65.287 65.287 65.154 0.133 19151 7179 1 10 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.077 0.523 19151 7180 1 10 . 1 1 47 47 TYR N N 47 113.790 113.790 114.331 -0.541 19151 7181 1 10 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.593 -0.473 19151 7182 1 10 . 1 1 47 47 TYR C C 47 175.730 175.730 177.546 -1.816 19151 7183 1 10 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.281 1.919 19151 7184 1 10 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.459 0.557 19151 7185 1 10 . 1 1 47 47 TYR H H 47 8.291 8.291 8.139 0.152 19151 7186 1 10 . 1 1 48 48 GLN N N 48 116.524 116.524 120.232 -3.708 19151 7187 1 10 . 1 1 48 48 GLN HA H 48 3.885 3.885 4.007 -0.122 19151 7188 1 10 . 1 1 48 48 GLN C C 48 174.381 174.381 175.796 -1.415 19151 7189 1 10 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.376 0.450 19151 7190 1 10 . 1 1 48 48 GLN CB C 48 31.000 31.000 29.140 1.860 19151 7191 1 10 . 1 1 48 48 GLN H H 48 7.300 7.300 7.519 -0.219 19151 7192 1 10 . 1 1 49 49 ASP N N 49 114.657 114.657 111.433 3.224 19151 7193 1 10 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.906 -0.219 19151 7194 1 10 . 1 1 49 49 ASP C C 49 176.307 176.307 175.529 0.778 19151 7195 1 10 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.237 -1.502 19151 7196 1 10 . 1 1 49 49 ASP CB C 49 40.200 40.200 40.425 -0.225 19151 7197 1 10 . 1 1 49 49 ASP H H 49 7.854 7.854 8.259 -0.405 19151 7198 1 10 . 1 1 50 50 LYS N N 50 123.514 123.514 119.100 4.414 19151 7199 1 10 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.521 0.069 19151 7200 1 10 . 1 1 50 50 LYS C C 50 172.964 172.964 174.752 -1.788 19151 7201 1 10 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.237 -0.544 19151 7202 1 10 . 1 1 50 50 LYS CB C 50 33.500 33.500 36.203 -2.703 19151 7203 1 10 . 1 1 50 50 LYS H H 50 7.833 7.833 7.640 0.193 19151 7204 1 10 . 1 1 51 51 TYR N N 51 118.375 118.375 115.543 2.832 19151 7205 1 10 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.750 0.305 19151 7206 1 10 . 1 1 51 51 TYR C C 51 175.875 175.875 175.978 -0.103 19151 7207 1 10 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.565 0.856 19151 7208 1 10 . 1 1 51 51 TYR CB C 51 42.477 42.477 41.004 1.473 19151 7209 1 10 . 1 1 51 51 TYR H H 51 7.745 7.745 7.825 -0.080 19151 7210 1 10 . 1 1 52 52 VAL N N 52 112.527 112.527 114.783 -2.256 19151 7211 1 10 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.878 0.622 19151 7212 1 10 . 1 1 52 52 VAL C C 52 173.910 173.910 174.081 -0.171 19151 7213 1 10 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.767 -2.071 19151 7214 1 10 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.214 1.278 19151 7215 1 10 . 1 1 52 52 VAL H H 52 8.673 8.673 8.397 0.276 19151 7216 1 10 . 1 1 53 53 LEU N N 53 124.294 124.294 123.105 1.189 19151 7217 1 10 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.223 -0.323 19151 7218 1 10 . 1 1 53 53 LEU C C 53 175.070 175.070 174.517 0.553 19151 7219 1 10 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.663 -1.097 19151 7220 1 10 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.483 -1.253 19151 7221 1 10 . 1 1 53 53 LEU H H 53 9.137 9.137 9.143 -0.006 19151 7222 1 10 . 1 1 54 54 VAL N N 54 127.850 127.850 127.049 0.801 19151 7223 1 10 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.712 -0.202 19151 7224 1 10 . 1 1 54 54 VAL C C 54 174.030 174.030 174.428 -0.398 19151 7225 1 10 . 1 1 54 54 VAL CA C 54 61.825 61.825 60.990 0.835 19151 7226 1 10 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.091 -0.400 19151 7227 1 10 . 1 1 54 54 VAL H H 54 8.619 8.619 9.083 -0.464 19151 7228 1 10 . 1 1 55 55 VAL N N 55 127.181 127.181 128.439 -1.258 19151 7229 1 10 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.721 0.364 19151 7230 1 10 . 1 1 55 55 VAL C C 55 174.942 174.942 174.445 0.497 19151 7231 1 10 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.849 -0.779 19151 7232 1 10 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.647 -0.424 19151 7233 1 10 . 1 1 55 55 VAL H H 55 8.578 8.578 8.819 -0.241 19151 7234 1 10 . 1 1 56 56 THR N N 56 117.420 117.420 122.235 -4.815 19151 7235 1 10 . 1 1 56 56 THR HA H 56 5.590 5.590 4.731 0.859 19151 7236 1 10 . 1 1 56 56 THR C C 56 172.640 172.640 172.343 0.297 19151 7237 1 10 . 1 1 56 56 THR CA C 56 59.359 59.359 61.158 -1.799 19151 7238 1 10 . 1 1 56 56 THR CB C 56 70.715 70.715 70.777 -0.062 19151 7239 1 10 . 1 1 56 56 THR H H 56 8.710 8.710 8.949 -0.239 19151 7240 1 10 . 1 1 57 57 SER HA H 57 5.250 5.250 5.244 0.006 19151 7241 1 10 . 1 1 57 57 SER CA C 57 57.730 57.730 56.576 1.154 19151 7242 1 10 . 1 1 57 57 SER CB C 57 64.500 64.500 65.804 -1.304 19151 7243 1 10 . 1 1 57 57 SER H H 57 8.075 8.075 8.362 -0.287 19151 7244 1 10 . 1 1 58 58 THR H H 58 7.900 7.900 8.800 -0.900 19151 7245 1 10 . 1 1 59 59 THR HA H 59 4.900 4.900 4.283 0.617 19151 7246 1 10 . 1 1 59 59 THR CA C 59 61.200 61.200 64.712 -3.512 19151 7247 1 10 . 1 1 59 59 THR CB C 59 73.400 73.400 69.306 4.093 19151 7248 1 10 . 1 1 59 59 THR H H 59 9.230 9.230 7.923 1.307 19151 7249 1 10 . 1 1 60 60 GLY CA C 60 46.500 46.500 44.842 1.658 19151 7250 1 10 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.231 0.175 19151 7251 1 10 . 1 1 61 61 GLN C C 61 175.950 175.950 176.007 -0.057 19151 7252 1 10 . 1 1 61 61 GLN CA C 61 55.350 55.350 55.613 -0.263 19151 7253 1 10 . 1 1 61 61 GLN CB C 61 29.160 29.160 26.490 2.670 19151 7254 1 10 . 1 1 62 62 GLY N N 62 108.420 108.420 108.325 0.095 19151 7255 1 10 . 1 1 62 62 GLY C C 62 173.134 173.134 173.752 -0.618 19151 7256 1 10 . 1 1 62 62 GLY CA C 62 45.784 45.784 45.310 0.474 19151 7257 1 10 . 1 1 62 62 GLY H H 62 8.073 8.073 8.145 -0.072 19151 7258 1 10 . 1 1 63 63 ASP N N 63 118.400 118.400 118.503 -0.103 19151 7259 1 10 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.720 0.060 19151 7260 1 10 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.526 0.770 19151 7261 1 10 . 1 1 63 63 ASP CB C 63 42.740 42.740 42.771 -0.031 19151 7262 1 10 . 1 1 63 63 ASP H H 63 7.248 7.248 7.921 -0.673 19151 7263 1 10 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.606 -0.206 19151 7264 1 10 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.459 1.691 19151 7265 1 10 . 1 1 64 64 LEU CB C 64 41.687 41.687 43.217 -1.530 19151 7266 1 10 . 1 1 64 64 LEU H H 64 8.445 8.445 8.057 0.388 19151 7267 1 10 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.488 -0.195 19151 7268 1 10 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.197 0.147 19151 7269 1 10 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.654 -0.174 19151 7270 1 10 . 1 1 66 66 ASP N N 66 121.200 121.200 120.206 0.994 19151 7271 1 10 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.361 -0.101 19151 7272 1 10 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.270 1.361 19151 7273 1 10 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.897 -0.097 19151 7274 1 10 . 1 1 66 66 ASP H H 66 8.605 8.605 8.589 0.016 19151 7275 1 10 . 1 1 67 67 SER HA H 67 4.292 4.292 4.419 -0.127 19151 7276 1 10 . 1 1 67 67 SER C C 67 175.650 175.650 175.000 0.650 19151 7277 1 10 . 1 1 67 67 SER CA C 67 60.500 60.500 59.923 0.577 19151 7278 1 10 . 1 1 67 67 SER CB C 67 63.530 63.530 63.633 -0.103 19151 7279 1 10 . 1 1 68 68 ILE N N 68 120.550 120.550 120.921 -0.371 19151 7280 1 10 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.462 0.648 19151 7281 1 10 . 1 1 68 68 ILE C C 68 174.713 174.713 176.217 -1.504 19151 7282 1 10 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.856 -0.456 19151 7283 1 10 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.353 3.887 19151 7284 1 10 . 1 1 68 68 ILE H H 68 7.870 7.870 7.696 0.174 19151 7285 1 10 . 1 1 69 69 VAL N N 69 125.740 125.740 123.608 2.132 19151 7286 1 10 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.691 0.054 19151 7287 1 10 . 1 1 69 69 VAL C C 69 174.500 174.500 175.028 -0.528 19151 7288 1 10 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.530 -0.980 19151 7289 1 10 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.527 0.603 19151 7290 1 10 . 1 1 69 69 VAL H H 69 7.428 7.428 8.188 -0.760 19151 7291 1 10 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.296 -0.004 19151 7292 1 10 . 1 1 70 70 PRO C C 70 180.820 180.820 178.762 2.058 19151 7293 1 10 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.082 0.388 19151 7294 1 10 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.201 -0.544 19151 7295 1 10 . 1 1 71 71 LEU N N 71 119.467 119.467 120.738 -1.271 19151 7296 1 10 . 1 1 71 71 LEU HA H 71 3.845 3.845 3.997 -0.152 19151 7297 1 10 . 1 1 71 71 LEU C C 71 176.489 176.489 178.369 -1.880 19151 7298 1 10 . 1 1 71 71 LEU CA C 71 58.207 58.207 58.066 0.141 19151 7299 1 10 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.643 -0.157 19151 7300 1 10 . 1 1 71 71 LEU H H 71 7.918 7.918 7.653 0.265 19151 7301 1 10 . 1 1 72 72 PHE N N 72 119.361 119.361 119.189 0.172 19151 7302 1 10 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.343 -0.198 19151 7303 1 10 . 1 1 72 72 PHE C C 72 175.968 175.968 177.105 -1.137 19151 7304 1 10 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.618 0.203 19151 7305 1 10 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.599 0.949 19151 7306 1 10 . 1 1 72 72 PHE H H 72 7.903 7.903 8.520 -0.617 19151 7307 1 10 . 1 1 73 73 GLN N N 73 116.100 116.100 117.004 -0.904 19151 7308 1 10 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.757 -0.230 19151 7309 1 10 . 1 1 73 73 GLN C C 73 177.871 177.871 178.697 -0.826 19151 7310 1 10 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.798 -0.659 19151 7311 1 10 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.105 0.042 19151 7312 1 10 . 1 1 73 73 GLN H H 73 9.042 9.042 8.545 0.497 19151 7313 1 10 . 1 1 74 74 GLY N N 74 107.110 107.110 108.096 -0.986 19151 7314 1 10 . 1 1 74 74 GLY C C 74 175.894 175.894 176.474 -0.580 19151 7315 1 10 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.708 0.572 19151 7316 1 10 . 1 1 74 74 GLY H H 74 8.045 8.045 8.077 -0.032 19151 7317 1 10 . 1 1 75 75 ILE N N 75 123.629 123.629 122.753 0.876 19151 7318 1 10 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.381 -0.331 19151 7319 1 10 . 1 1 75 75 ILE C C 75 178.622 178.622 177.007 1.615 19151 7320 1 10 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.701 0.556 19151 7321 1 10 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.376 0.592 19151 7322 1 10 . 1 1 75 75 ILE H H 75 8.174 8.174 8.124 0.050 19151 7323 1 10 . 1 1 76 76 LYS N N 76 119.363 119.363 118.592 0.771 19151 7324 1 10 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.818 -0.513 19151 7325 1 10 . 1 1 76 76 LYS C C 76 177.909 177.909 178.043 -0.134 19151 7326 1 10 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.229 0.476 19151 7327 1 10 . 1 1 76 76 LYS CB C 76 32.350 32.350 32.062 0.288 19151 7328 1 10 . 1 1 76 76 LYS H H 76 7.600 7.600 7.440 0.160 19151 7329 1 10 . 1 1 77 77 ASP N N 77 115.190 115.190 117.566 -2.376 19151 7330 1 10 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.615 -0.133 19151 7331 1 10 . 1 1 77 77 ASP C C 77 178.825 178.825 177.982 0.843 19151 7332 1 10 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.797 0.483 19151 7333 1 10 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.934 -0.744 19151 7334 1 10 . 1 1 77 77 ASP H H 77 8.482 8.482 8.246 0.236 19151 7335 1 10 . 1 1 78 78 SER N N 78 112.576 112.576 116.141 -3.565 19151 7336 1 10 . 1 1 78 78 SER HA H 78 4.728 4.728 4.390 0.338 19151 7337 1 10 . 1 1 78 78 SER C C 78 174.556 174.556 175.096 -0.540 19151 7338 1 10 . 1 1 78 78 SER CA C 78 60.045 60.045 60.550 -0.506 19151 7339 1 10 . 1 1 78 78 SER CB C 78 64.643 64.643 63.946 0.697 19151 7340 1 10 . 1 1 78 78 SER H H 78 8.273 8.273 7.945 0.328 19151 7341 1 10 . 1 1 79 79 LEU N N 79 120.833 120.833 121.162 -0.329 19151 7342 1 10 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.393 0.422 19151 7343 1 10 . 1 1 79 79 LEU C C 79 176.251 176.251 178.804 -2.553 19151 7344 1 10 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.449 -2.489 19151 7345 1 10 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.179 -2.983 19151 7346 1 10 . 1 1 79 79 LEU H H 79 7.025 7.025 7.616 -0.591 19151 7347 1 10 . 1 1 80 80 GLY N N 80 108.861 108.861 106.985 1.876 19151 7348 1 10 . 1 1 80 80 GLY C C 80 173.623 173.623 173.662 -0.039 19151 7349 1 10 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.462 -0.233 19151 7350 1 10 . 1 1 80 80 GLY H H 80 7.499 7.499 8.061 -0.562 19151 7351 1 10 . 1 1 81 81 PHE N N 81 121.441 121.441 119.613 1.828 19151 7352 1 10 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.658 0.402 19151 7353 1 10 . 1 1 81 81 PHE C C 81 174.411 174.411 172.418 1.993 19151 7354 1 10 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.274 -0.063 19151 7355 1 10 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.803 -1.183 19151 7356 1 10 . 1 1 81 81 PHE H H 81 8.018 8.018 7.391 0.627 19151 7357 1 10 . 1 1 82 82 GLN N N 82 126.480 126.480 121.065 5.415 19151 7358 1 10 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.765 0.125 19151 7359 1 10 . 1 1 82 82 GLN C C 82 172.700 172.700 173.776 -1.076 19151 7360 1 10 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.205 1.972 19151 7361 1 10 . 1 1 82 82 GLN CB C 82 32.600 32.600 31.081 1.519 19151 7362 1 10 . 1 1 82 82 GLN H H 82 9.588 9.588 7.159 2.429 19151 7363 1 10 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.446 -0.073 19151 7364 1 10 . 1 1 83 83 PRO C C 83 178.163 178.163 176.723 1.440 19151 7365 1 10 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.436 -0.745 19151 7366 1 10 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.752 -0.887 19151 7367 1 10 . 1 1 84 84 ASN N N 84 116.900 116.900 115.962 0.938 19151 7368 1 10 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.836 -0.067 19151 7369 1 10 . 1 1 84 84 ASN C C 84 173.332 173.332 173.564 -0.232 19151 7370 1 10 . 1 1 84 84 ASN CA C 84 52.560 52.560 53.198 -0.638 19151 7371 1 10 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.162 -0.902 19151 7372 1 10 . 1 1 84 84 ASN H H 84 8.578 8.578 7.879 0.699 19151 7373 1 10 . 1 1 85 85 LEU N N 85 124.380 124.380 122.693 1.687 19151 7374 1 10 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.503 -0.457 19151 7375 1 10 . 1 1 85 85 LEU C C 85 175.880 175.880 175.305 0.575 19151 7376 1 10 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.648 1.194 19151 7377 1 10 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.364 -1.064 19151 7378 1 10 . 1 1 85 85 LEU H H 85 7.240 7.240 7.677 -0.437 19151 7379 1 10 . 1 1 86 86 ARG N N 86 128.715 128.715 124.354 4.361 19151 7380 1 10 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.108 0.686 19151 7381 1 10 . 1 1 86 86 ARG C C 86 175.554 175.554 174.702 0.852 19151 7382 1 10 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.183 0.259 19151 7383 1 10 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.338 -1.465 19151 7384 1 10 . 1 1 86 86 ARG H H 86 7.732 7.732 8.215 -0.483 19151 7385 1 10 . 1 1 87 87 TYR N N 87 117.420 117.420 118.906 -1.486 19151 7386 1 10 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.592 1.173 19151 7387 1 10 . 1 1 87 87 TYR C C 87 172.931 172.931 173.139 -0.208 19151 7388 1 10 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.554 -1.293 19151 7389 1 10 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.576 3.362 19151 7390 1 10 . 1 1 87 87 TYR H H 87 8.783 8.783 8.180 0.603 19151 7391 1 10 . 1 1 88 88 GLY N N 88 107.765 107.765 106.014 1.751 19151 7392 1 10 . 1 1 88 88 GLY C C 88 172.621 172.621 171.255 1.366 19151 7393 1 10 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.796 1.065 19151 7394 1 10 . 1 1 88 88 GLY H H 88 8.905 8.905 8.533 0.372 19151 7395 1 10 . 1 1 89 89 VAL N N 89 118.180 118.180 116.224 1.956 19151 7396 1 10 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.913 0.088 19151 7397 1 10 . 1 1 89 89 VAL C C 89 172.939 172.939 173.947 -1.008 19151 7398 1 10 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.436 0.563 19151 7399 1 10 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.330 1.068 19151 7400 1 10 . 1 1 89 89 VAL H H 89 7.499 7.499 8.084 -0.585 19151 7401 1 10 . 1 1 90 90 ILE N N 90 125.000 125.000 124.320 0.680 19151 7402 1 10 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.170 -0.043 19151 7403 1 10 . 1 1 90 90 ILE C C 90 173.099 173.099 174.096 -0.997 19151 7404 1 10 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.913 0.576 19151 7405 1 10 . 1 1 90 90 ILE CB C 90 40.398 40.398 39.596 0.801 19151 7406 1 10 . 1 1 90 90 ILE H H 90 8.810 8.810 8.841 -0.031 19151 7407 1 10 . 1 1 91 91 ALA N N 91 129.036 129.036 129.856 -0.820 19151 7408 1 10 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.352 -0.026 19151 7409 1 10 . 1 1 91 91 ALA C C 91 174.000 174.000 175.887 -1.887 19151 7410 1 10 . 1 1 91 91 ALA CA C 91 49.000 49.000 50.142 -1.142 19151 7411 1 10 . 1 1 91 91 ALA CB C 91 22.100 22.100 20.716 1.384 19151 7412 1 10 . 1 1 91 91 ALA H H 91 9.253 9.253 8.829 0.424 19151 7413 1 10 . 1 1 92 92 LEU HA H 92 4.931 4.931 4.922 0.009 19151 7414 1 10 . 1 1 92 92 LEU C C 92 177.366 177.366 176.666 0.700 19151 7415 1 10 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.270 0.647 19151 7416 1 10 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.094 -2.695 19151 7417 1 10 . 1 1 93 93 GLY N N 93 110.663 110.663 108.059 2.604 19151 7418 1 10 . 1 1 93 93 GLY C C 93 172.029 172.029 171.664 0.365 19151 7419 1 10 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.869 -0.139 19151 7420 1 10 . 1 1 93 93 GLY H H 93 8.687 8.687 8.690 -0.003 19151 7421 1 10 . 1 1 94 94 ASP N N 94 119.304 119.304 121.000 -1.696 19151 7422 1 10 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.301 -0.041 19151 7423 1 10 . 1 1 94 94 ASP C C 94 176.978 176.978 177.690 -0.712 19151 7424 1 10 . 1 1 94 94 ASP CA C 94 53.607 53.607 51.465 2.142 19151 7425 1 10 . 1 1 94 94 ASP CB C 94 43.000 43.000 42.428 0.572 19151 7426 1 10 . 1 1 94 94 ASP H H 94 8.129 8.129 8.077 0.052 19151 7427 1 10 . 1 1 95 95 SER N N 95 123.897 123.897 122.992 0.905 19151 7428 1 10 . 1 1 95 95 SER HA H 95 3.895 3.895 4.099 -0.204 19151 7429 1 10 . 1 1 95 95 SER C C 95 175.243 175.243 175.434 -0.191 19151 7430 1 10 . 1 1 95 95 SER CA C 95 60.183 60.183 60.666 -0.484 19151 7431 1 10 . 1 1 95 95 SER CB C 95 61.700 61.700 62.572 -0.872 19151 7432 1 10 . 1 1 95 95 SER H H 95 8.878 8.878 9.572 -0.694 19151 7433 1 10 . 1 1 96 96 SER N N 96 119.248 119.248 116.734 2.514 19151 7434 1 10 . 1 1 96 96 SER HA H 96 4.209 4.209 4.365 -0.156 19151 7435 1 10 . 1 1 96 96 SER C C 96 173.900 173.900 175.241 -1.341 19151 7436 1 10 . 1 1 96 96 SER CA C 96 60.197 60.197 59.818 0.379 19151 7437 1 10 . 1 1 96 96 SER CB C 96 63.000 63.000 63.823 -0.823 19151 7438 1 10 . 1 1 96 96 SER H H 96 9.124 9.124 8.230 0.894 19151 7439 1 10 . 1 1 97 97 TYR N N 97 120.889 120.889 121.079 -0.190 19151 7440 1 10 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.540 0.348 19151 7441 1 10 . 1 1 97 97 TYR C C 97 175.972 175.972 178.309 -2.337 19151 7442 1 10 . 1 1 97 97 TYR CA C 97 55.750 55.750 56.512 -0.762 19151 7443 1 10 . 1 1 97 97 TYR CB C 97 39.820 39.820 38.174 1.646 19151 7444 1 10 . 1 1 97 97 TYR H H 97 7.664 7.664 7.866 -0.202 19151 7445 1 10 . 1 1 98 98 VAL N N 98 116.952 116.952 121.780 -4.828 19151 7446 1 10 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.858 0.202 19151 7447 1 10 . 1 1 98 98 VAL C C 98 175.969 175.969 176.407 -0.438 19151 7448 1 10 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.017 -2.177 19151 7449 1 10 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.398 1.202 19151 7450 1 10 . 1 1 98 98 VAL H H 98 7.970 7.970 8.611 -0.641 19151 7451 1 10 . 1 1 99 99 ASN N N 99 118.156 118.156 117.248 0.908 19151 7452 1 10 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.963 -0.452 19151 7453 1 10 . 1 1 99 99 ASN C C 99 174.329 174.329 175.743 -1.414 19151 7454 1 10 . 1 1 99 99 ASN CA C 99 53.031 53.031 52.841 0.190 19151 7455 1 10 . 1 1 99 99 ASN CB C 99 37.238 37.238 39.328 -2.090 19151 7456 1 10 . 1 1 99 99 ASN H H 99 8.296 8.296 8.188 0.108 19151 7457 1 10 . 1 1 100 100 PHE N N 100 118.649 118.649 119.752 -1.103 19151 7458 1 10 . 1 1 100 100 PHE HA H 100 4.415 4.415 3.997 0.418 19151 7459 1 10 . 1 1 100 100 PHE C C 100 174.400 174.400 175.436 -1.036 19151 7460 1 10 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.811 -3.621 19151 7461 1 10 . 1 1 100 100 PHE CB C 100 39.679 39.679 37.904 1.775 19151 7462 1 10 . 1 1 100 100 PHE H H 100 7.855 7.855 7.739 0.116 19151 7463 1 10 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.281 -0.696 19151 7464 1 10 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.745 4.995 19151 7465 1 10 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.004 -1.004 19151 7466 1 10 . 1 1 101 101 CYS H H 101 9.240 9.240 8.023 1.217 19151 7467 1 10 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.468 -0.248 19151 7468 1 10 . 1 1 102 102 ASN CA C 102 57.200 57.200 55.861 1.339 19151 7469 1 10 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.419 0.181 19151 7470 1 10 . 1 1 102 102 ASN H H 102 8.300 8.300 8.830 -0.530 19151 7471 1 10 . 1 1 103 103 GLY C C 103 175.690 175.690 175.871 -0.181 19151 7472 1 10 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.035 0.315 19151 7473 1 10 . 1 1 104 104 GLY N N 104 106.150 106.150 109.083 -2.933 19151 7474 1 10 . 1 1 104 104 GLY C C 104 174.570 174.570 176.058 -1.488 19151 7475 1 10 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.084 1.266 19151 7476 1 10 . 1 1 104 104 GLY H H 104 7.108 7.108 7.764 -0.656 19151 7477 1 10 . 1 1 105 105 LYS N N 105 120.732 120.732 122.284 -1.552 19151 7478 1 10 . 1 1 105 105 LYS HA H 105 3.937 3.937 4.014 -0.077 19151 7479 1 10 . 1 1 105 105 LYS C C 105 179.706 179.706 178.889 0.817 19151 7480 1 10 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.903 0.405 19151 7481 1 10 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.160 -0.363 19151 7482 1 10 . 1 1 105 105 LYS H H 105 7.708 7.708 7.484 0.224 19151 7483 1 10 . 1 1 106 106 GLN N N 106 119.087 119.087 118.179 0.908 19151 7484 1 10 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.142 0.000 19151 7485 1 10 . 1 1 106 106 GLN C C 106 179.418 179.418 178.530 0.888 19151 7486 1 10 . 1 1 106 106 GLN CA C 106 58.875 58.875 59.174 -0.299 19151 7487 1 10 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.554 0.205 19151 7488 1 10 . 1 1 106 106 GLN H H 106 8.738 8.738 8.592 0.146 19151 7489 1 10 . 1 1 107 107 PHE N N 107 123.088 123.088 119.327 3.761 19151 7490 1 10 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.349 -0.099 19151 7491 1 10 . 1 1 107 107 PHE C C 107 178.403 178.403 177.951 0.452 19151 7492 1 10 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.834 0.351 19151 7493 1 10 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.816 0.635 19151 7494 1 10 . 1 1 107 107 PHE H H 107 7.922 7.922 7.607 0.315 19151 7495 1 10 . 1 1 108 108 ASP N N 108 117.118 117.118 120.500 -3.382 19151 7496 1 10 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.540 -0.166 19151 7497 1 10 . 1 1 108 108 ASP C C 108 176.973 176.973 178.106 -1.133 19151 7498 1 10 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.776 0.653 19151 7499 1 10 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.240 2.883 19151 7500 1 10 . 1 1 108 108 ASP H H 108 8.305 8.305 8.421 -0.116 19151 7501 1 10 . 1 1 109 109 ALA N N 109 118.590 118.590 122.809 -4.219 19151 7502 1 10 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.116 -0.066 19151 7503 1 10 . 1 1 109 109 ALA C C 109 180.430 180.430 179.927 0.503 19151 7504 1 10 . 1 1 109 109 ALA CA C 109 55.196 55.196 54.963 0.233 19151 7505 1 10 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.344 -0.237 19151 7506 1 10 . 1 1 109 109 ALA H H 109 8.332 8.332 8.275 0.057 19151 7507 1 10 . 1 1 110 110 LEU N N 110 120.402 120.402 120.241 0.161 19151 7508 1 10 . 1 1 110 110 LEU HA H 110 4.085 4.085 4.076 0.009 19151 7509 1 10 . 1 1 110 110 LEU C C 110 177.801 177.801 179.055 -1.254 19151 7510 1 10 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.574 0.066 19151 7511 1 10 . 1 1 110 110 LEU CB C 110 41.756 41.756 41.048 0.708 19151 7512 1 10 . 1 1 110 110 LEU H H 110 7.868 7.868 7.711 0.157 19151 7513 1 10 . 1 1 111 111 LEU N N 111 116.945 116.945 116.743 0.202 19151 7514 1 10 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.789 -0.071 19151 7515 1 10 . 1 1 111 111 LEU C C 111 179.838 179.838 179.089 0.749 19151 7516 1 10 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.810 0.155 19151 7517 1 10 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.279 -2.419 19151 7518 1 10 . 1 1 111 111 LEU H H 111 7.704 7.704 7.490 0.214 19151 7519 1 10 . 1 1 112 112 GLN N N 112 118.484 118.484 116.293 2.191 19151 7520 1 10 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.116 0.025 19151 7521 1 10 . 1 1 112 112 GLN C C 112 181.218 181.218 178.115 3.103 19151 7522 1 10 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.660 1.306 19151 7523 1 10 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.345 0.915 19151 7524 1 10 . 1 1 112 112 GLN H H 112 8.441 8.441 7.697 0.744 19151 7525 1 10 . 1 1 113 113 GLU N N 113 122.905 122.905 117.897 5.008 19151 7526 1 10 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.142 0.039 19151 7527 1 10 . 1 1 113 113 GLU C C 113 178.001 178.001 177.329 0.672 19151 7528 1 10 . 1 1 113 113 GLU CA C 113 58.985 58.985 58.011 0.974 19151 7529 1 10 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.523 -0.253 19151 7530 1 10 . 1 1 113 113 GLU H H 113 8.305 8.305 7.959 0.346 19151 7531 1 10 . 1 1 114 114 GLN N N 114 117.332 117.332 118.887 -1.555 19151 7532 1 10 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.337 0.258 19151 7533 1 10 . 1 1 114 114 GLN C C 114 174.538 174.538 177.032 -2.494 19151 7534 1 10 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.558 -1.141 19151 7535 1 10 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.771 -4.941 19151 7536 1 10 . 1 1 114 114 GLN H H 114 7.520 7.520 7.594 -0.074 19151 7537 1 10 . 1 1 115 115 SER N N 115 109.100 109.100 109.261 -0.161 19151 7538 1 10 . 1 1 115 115 SER HA H 115 4.200 4.200 4.456 -0.256 19151 7539 1 10 . 1 1 115 115 SER C C 115 172.302 172.302 173.852 -1.550 19151 7540 1 10 . 1 1 115 115 SER CA C 115 60.400 60.400 58.404 1.996 19151 7541 1 10 . 1 1 115 115 SER CB C 115 61.325 61.325 64.442 -3.117 19151 7542 1 10 . 1 1 115 115 SER H H 115 7.950 7.950 8.164 -0.214 19151 7543 1 10 . 1 1 116 116 ALA N N 116 121.059 121.059 126.210 -5.151 19151 7544 1 10 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.234 0.560 19151 7545 1 10 . 1 1 116 116 ALA C C 116 176.774 176.774 176.578 0.196 19151 7546 1 10 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.705 -1.015 19151 7547 1 10 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.180 1.185 19151 7548 1 10 . 1 1 116 116 ALA H H 116 7.813 7.813 7.583 0.230 19151 7549 1 10 . 1 1 117 117 GLN N N 117 118.000 118.000 119.592 -1.592 19151 7550 1 10 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.542 0.076 19151 7551 1 10 . 1 1 117 117 GLN C C 117 173.769 173.769 176.088 -2.319 19151 7552 1 10 . 1 1 117 117 GLN CA C 117 54.556 54.556 55.385 -0.829 19151 7553 1 10 . 1 1 117 117 GLN CB C 117 30.735 30.735 30.676 0.059 19151 7554 1 10 . 1 1 117 117 GLN H H 117 8.591 8.591 8.787 -0.196 19151 7555 1 10 . 1 1 118 118 ARG N N 118 127.947 127.947 120.091 7.856 19151 7556 1 10 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.121 -1.813 19151 7557 1 10 . 1 1 118 118 ARG C C 118 176.758 176.758 175.916 0.842 19151 7558 1 10 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.698 1.488 19151 7559 1 10 . 1 1 118 118 ARG CB C 118 30.310 30.310 32.836 -2.526 19151 7560 1 10 . 1 1 118 118 ARG H H 118 8.659 8.659 8.536 0.123 19151 7561 1 10 . 1 1 119 119 VAL N N 119 131.939 131.939 120.689 11.250 19151 7562 1 10 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.307 -0.194 19151 7563 1 10 . 1 1 119 119 VAL C C 119 176.775 176.775 176.056 0.719 19151 7564 1 10 . 1 1 119 119 VAL CA C 119 62.174 62.174 60.803 1.371 19151 7565 1 10 . 1 1 119 119 VAL CB C 119 32.394 32.394 34.314 -1.920 19151 7566 1 10 . 1 1 119 119 VAL H H 119 9.520 9.520 8.486 1.034 19151 7567 1 10 . 1 1 120 120 GLY N N 120 116.074 116.074 116.574 -0.500 19151 7568 1 10 . 1 1 120 120 GLY C C 120 172.757 172.757 173.561 -0.804 19151 7569 1 10 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.646 -1.748 19151 7570 1 10 . 1 1 120 120 GLY H H 120 8.755 8.755 8.503 0.252 19151 7571 1 10 . 1 1 121 121 GLU N N 121 118.754 118.754 121.423 -2.669 19151 7572 1 10 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.716 -0.050 19151 7573 1 10 . 1 1 121 121 GLU C C 121 177.419 177.419 176.631 0.788 19151 7574 1 10 . 1 1 121 121 GLU CA C 121 54.491 54.491 55.112 -0.621 19151 7575 1 10 . 1 1 121 121 GLU CB C 121 31.498 31.498 31.458 0.040 19151 7576 1 10 . 1 1 121 121 GLU H H 121 8.594 8.594 8.514 0.080 19151 7577 1 10 . 1 1 122 122 MET N N 122 122.642 122.642 121.805 0.837 19151 7578 1 10 . 1 1 122 122 MET HA H 122 4.415 4.415 4.965 -0.550 19151 7579 1 10 . 1 1 122 122 MET C C 122 175.351 175.351 174.854 0.497 19151 7580 1 10 . 1 1 122 122 MET CA C 122 57.024 57.024 54.886 2.138 19151 7581 1 10 . 1 1 122 122 MET CB C 122 34.210 34.210 33.313 0.897 19151 7582 1 10 . 1 1 122 122 MET H H 122 8.892 8.892 8.574 0.318 19151 7583 1 10 . 1 1 123 123 LEU N N 123 129.535 129.535 122.410 7.125 19151 7584 1 10 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.399 -0.049 19151 7585 1 10 . 1 1 123 123 LEU C C 123 173.124 173.124 174.402 -1.278 19151 7586 1 10 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.015 0.724 19151 7587 1 10 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.521 -1.443 19151 7588 1 10 . 1 1 123 123 LEU H H 123 7.868 7.868 7.680 0.188 19151 7589 1 10 . 1 1 124 124 LEU N N 124 127.120 127.120 125.738 1.382 19151 7590 1 10 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.628 0.427 19151 7591 1 10 . 1 1 124 124 LEU C C 124 176.379 176.379 176.191 0.188 19151 7592 1 10 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.113 0.437 19151 7593 1 10 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.375 -0.997 19151 7594 1 10 . 1 1 124 124 LEU H H 124 8.346 8.346 8.244 0.102 19151 7595 1 10 . 1 1 125 125 ILE N N 125 124.337 124.337 125.004 -0.667 19151 7596 1 10 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.231 -0.051 19151 7597 1 10 . 1 1 125 125 ILE C C 125 174.303 174.303 175.043 -0.740 19151 7598 1 10 . 1 1 125 125 ILE CA C 125 61.100 61.100 62.015 -0.915 19151 7599 1 10 . 1 1 125 125 ILE CB C 125 39.943 39.943 39.899 0.044 19151 7600 1 10 . 1 1 125 125 ILE H H 125 8.974 8.974 8.710 0.264 19151 7601 1 10 . 1 1 126 126 ASP N N 126 127.113 127.113 128.659 -1.546 19151 7602 1 10 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.581 -0.466 19151 7603 1 10 . 1 1 126 126 ASP C C 126 176.766 176.766 176.261 0.505 19151 7604 1 10 . 1 1 126 126 ASP CA C 126 51.847 51.847 51.864 -0.017 19151 7605 1 10 . 1 1 126 126 ASP CB C 126 41.100 41.100 42.413 -1.313 19151 7606 1 10 . 1 1 126 126 ASP H H 126 9.397 9.397 8.770 0.627 19151 7607 1 10 . 1 1 127 127 ALA N N 127 131.178 131.178 131.510 -0.332 19151 7608 1 10 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.394 -0.078 19151 7609 1 10 . 1 1 127 127 ALA C C 127 178.530 178.530 178.862 -0.332 19151 7610 1 10 . 1 1 127 127 ALA CA C 127 53.847 53.847 53.984 -0.137 19151 7611 1 10 . 1 1 127 127 ALA CB C 127 18.792 18.792 18.967 -0.175 19151 7612 1 10 . 1 1 127 127 ALA H H 127 9.696 9.696 9.118 0.578 19151 7613 1 10 . 1 1 128 128 SER N N 128 112.064 112.064 112.996 -0.932 19151 7614 1 10 . 1 1 128 128 SER HA H 128 4.224 4.224 4.148 0.076 19151 7615 1 10 . 1 1 128 128 SER C C 128 175.000 175.000 175.511 -0.511 19151 7616 1 10 . 1 1 128 128 SER CA C 128 61.246 61.246 60.549 0.697 19151 7617 1 10 . 1 1 128 128 SER CB C 128 63.310 63.310 63.406 -0.096 19151 7618 1 10 . 1 1 128 128 SER H H 128 8.373 8.373 8.287 0.086 19151 7619 1 10 . 1 1 129 129 GLU N N 129 119.468 119.468 118.331 1.137 19151 7620 1 10 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.421 -0.021 19151 7621 1 10 . 1 1 129 129 GLU C C 129 175.947 175.947 175.929 0.018 19151 7622 1 10 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.846 -0.431 19151 7623 1 10 . 1 1 129 129 GLU CB C 129 31.730 31.730 32.079 -0.349 19151 7624 1 10 . 1 1 129 129 GLU H H 129 7.267 7.267 7.527 -0.260 19151 7625 1 10 . 1 1 130 130 ASN N N 130 115.968 115.968 118.306 -2.338 19151 7626 1 10 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.106 0.060 19151 7627 1 10 . 1 1 130 130 ASN C C 130 172.000 172.000 173.967 -1.967 19151 7628 1 10 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.788 -0.565 19151 7629 1 10 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.849 -0.183 19151 7630 1 10 . 1 1 130 130 ASN H H 130 8.072 8.072 8.263 -0.191 19151 7631 1 10 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.466 0.084 19151 7632 1 10 . 1 1 131 131 PRO C C 131 176.400 176.400 176.113 0.287 19151 7633 1 10 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.311 0.189 19151 7634 1 10 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.972 0.328 19151 7635 1 10 . 1 1 132 132 GLU N N 132 119.000 119.000 119.141 -0.141 19151 7636 1 10 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.684 0.336 19151 7637 1 10 . 1 1 132 132 GLU C C 132 174.200 174.200 175.469 -1.269 19151 7638 1 10 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.662 -0.662 19151 7639 1 10 . 1 1 132 132 GLU CB C 132 29.700 29.700 28.871 0.829 19151 7640 1 10 . 1 1 132 132 GLU H H 132 7.690 7.690 8.248 -0.558 19151 7641 1 10 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.175 -0.175 19151 7642 1 10 . 1 1 133 133 PRO C C 133 177.391 177.391 178.374 -0.983 19151 7643 1 10 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.188 0.281 19151 7644 1 10 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.896 0.249 19151 7645 1 10 . 1 1 134 134 GLU N N 134 122.846 122.846 116.986 5.860 19151 7646 1 10 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.255 0.965 19151 7647 1 10 . 1 1 134 134 GLU C C 134 178.385 178.385 178.609 -0.224 19151 7648 1 10 . 1 1 134 134 GLU CA C 134 57.592 57.592 58.961 -1.369 19151 7649 1 10 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.249 -1.659 19151 7650 1 10 . 1 1 134 134 GLU H H 134 10.707 10.707 8.646 2.061 19151 7651 1 10 . 1 1 135 135 THR N N 135 113.016 113.016 111.690 1.326 19151 7652 1 10 . 1 1 135 135 THR HA H 135 4.182 4.182 4.245 -0.063 19151 7653 1 10 . 1 1 135 135 THR C C 135 176.460 176.460 175.382 1.078 19151 7654 1 10 . 1 1 135 135 THR CA C 135 64.752 64.752 64.801 -0.049 19151 7655 1 10 . 1 1 135 135 THR CB C 135 69.248 69.248 68.850 0.398 19151 7656 1 10 . 1 1 135 135 THR H H 135 8.168 8.168 8.232 -0.064 19151 7657 1 10 . 1 1 136 136 GLU N N 136 118.978 118.978 121.678 -2.700 19151 7658 1 10 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.424 0.140 19151 7659 1 10 . 1 1 136 136 GLU C C 136 178.370 178.370 178.570 -0.200 19151 7660 1 10 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.456 -1.543 19151 7661 1 10 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.643 1.457 19151 7662 1 10 . 1 1 136 136 GLU H H 136 7.680 7.680 7.680 -0.000 19151 7663 1 10 . 1 1 137 137 SER N N 137 116.501 116.501 115.619 0.882 19151 7664 1 10 . 1 1 137 137 SER HA H 137 4.033 4.033 4.271 -0.238 19151 7665 1 10 . 1 1 137 137 SER C C 137 175.670 175.670 176.697 -1.027 19151 7666 1 10 . 1 1 137 137 SER CA C 137 62.330 62.330 61.740 0.590 19151 7667 1 10 . 1 1 137 137 SER CB C 137 61.380 61.380 63.233 -1.853 19151 7668 1 10 . 1 1 137 137 SER H H 137 8.824 8.824 8.403 0.421 19151 7669 1 10 . 1 1 138 138 ASN N N 138 123.517 123.517 121.311 2.206 19151 7670 1 10 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.746 -0.155 19151 7671 1 10 . 1 1 138 138 ASN C C 138 175.700 175.700 175.469 0.231 19151 7672 1 10 . 1 1 138 138 ASN CA C 138 57.486 57.486 56.894 0.592 19151 7673 1 10 . 1 1 138 138 ASN CB C 138 34.253 34.253 35.979 -1.726 19151 7674 1 10 . 1 1 138 138 ASN H H 138 8.564 8.564 8.483 0.081 19151 7675 1 10 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.373 0.082 19151 7676 1 10 . 1 1 139 139 PRO C C 139 180.033 180.033 178.468 1.565 19151 7677 1 10 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.342 0.268 19151 7678 1 10 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.453 -0.917 19151 7679 1 10 . 1 1 140 140 TRP N N 140 119.700 119.700 121.701 -2.001 19151 7680 1 10 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.449 -0.116 19151 7681 1 10 . 1 1 140 140 TRP C C 140 179.195 179.195 178.083 1.112 19151 7682 1 10 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.865 0.314 19151 7683 1 10 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.425 1.326 19151 7684 1 10 . 1 1 140 140 TRP H H 140 7.057 7.057 7.476 -0.419 19151 7685 1 10 . 1 1 141 141 VAL N N 141 122.879 122.879 119.240 3.639 19151 7686 1 10 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.664 0.072 19151 7687 1 10 . 1 1 141 141 VAL C C 141 177.416 177.416 178.490 -1.074 19151 7688 1 10 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.446 -0.730 19151 7689 1 10 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.583 -0.151 19151 7690 1 10 . 1 1 141 141 VAL H H 141 9.629 9.629 8.878 0.751 19151 7691 1 10 . 1 1 142 142 GLU N N 142 119.965 119.965 118.269 1.696 19151 7692 1 10 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.112 -0.380 19151 7693 1 10 . 1 1 142 142 GLU C C 142 178.800 178.800 177.358 1.442 19151 7694 1 10 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.017 0.315 19151 7695 1 10 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.846 -0.286 19151 7696 1 10 . 1 1 142 142 GLU H H 142 8.551 8.551 8.098 0.453 19151 7697 1 10 . 1 1 143 143 HIS N N 143 115.364 115.364 118.458 -3.094 19151 7698 1 10 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.428 -0.138 19151 7699 1 10 . 1 1 143 143 HIS C C 143 177.840 177.840 175.954 1.886 19151 7700 1 10 . 1 1 143 143 HIS CA C 143 59.363 59.363 58.939 0.424 19151 7701 1 10 . 1 1 143 143 HIS CB C 143 29.362 29.362 31.140 -1.778 19151 7702 1 10 . 1 1 143 143 HIS H H 143 7.380 7.380 7.688 -0.308 19151 7703 1 10 . 1 1 144 144 TRP N N 144 126.680 126.680 122.505 4.175 19151 7704 1 10 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.819 -0.485 19151 7705 1 10 . 1 1 144 144 TRP C C 144 178.200 178.200 178.304 -0.104 19151 7706 1 10 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.765 2.195 19151 7707 1 10 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.309 0.216 19151 7708 1 10 . 1 1 144 144 TRP H H 144 9.215 9.215 8.727 0.488 19151 7709 1 10 . 1 1 145 145 GLY N N 145 100.130 100.130 105.263 -5.133 19151 7710 1 10 . 1 1 145 145 GLY C C 145 177.391 177.391 175.721 1.670 19151 7711 1 10 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.175 -0.415 19151 7712 1 10 . 1 1 145 145 GLY H H 145 8.834 8.834 8.540 0.294 19151 7713 1 10 . 1 1 146 146 THR N N 146 110.831 110.831 114.420 -3.589 19151 7714 1 10 . 1 1 146 146 THR HA H 146 4.319 4.319 4.059 0.260 19151 7715 1 10 . 1 1 146 146 THR C C 146 175.574 175.574 175.494 0.080 19151 7716 1 10 . 1 1 146 146 THR CA C 146 63.260 63.260 64.194 -0.934 19151 7717 1 10 . 1 1 146 146 THR CB C 146 69.660 69.660 68.201 1.459 19151 7718 1 10 . 1 1 146 146 THR H H 146 7.594 7.594 7.612 -0.018 19151 7719 1 10 . 1 1 147 147 LEU N N 147 120.678 120.678 120.183 0.495 19151 7720 1 10 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.056 0.002 19151 7721 1 10 . 1 1 147 147 LEU C C 147 177.176 177.176 176.410 0.766 19151 7722 1 10 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.491 -1.177 19151 7723 1 10 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.432 -0.204 19151 7724 1 10 . 1 1 147 147 LEU H H 147 7.458 7.458 7.423 0.035 19151 7725 1 10 . 1 1 148 148 LEU N N 148 117.062 117.062 118.330 -1.268 19151 7726 1 10 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.903 -0.185 19151 7727 1 10 . 1 1 148 148 LEU C C 148 175.570 175.570 176.639 -1.069 19151 7728 1 10 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.033 -0.082 19151 7729 1 10 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.125 -1.525 19151 7730 1 10 . 1 1 148 148 LEU H H 148 6.482 6.482 6.845 -0.363 19151 7731 1 11 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.805 -0.576 19151 7732 1 11 . 1 1 2 2 ALA C C 2 173.315 173.315 175.126 -1.811 19151 7733 1 11 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.581 -0.001 19151 7734 1 11 . 1 1 2 2 ALA CB C 2 20.223 20.223 22.329 -2.106 19151 7735 1 11 . 1 1 3 3 GLU N N 3 121.874 121.874 121.251 0.623 19151 7736 1 11 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.475 -0.201 19151 7737 1 11 . 1 1 3 3 GLU C C 3 174.545 174.545 175.174 -0.629 19151 7738 1 11 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.198 0.652 19151 7739 1 11 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.443 -0.723 19151 7740 1 11 . 1 1 3 3 GLU H H 3 8.696 8.696 8.631 0.065 19151 7741 1 11 . 1 1 4 4 ILE N N 4 120.672 120.672 125.322 -4.650 19151 7742 1 11 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.905 0.204 19151 7743 1 11 . 1 1 4 4 ILE C C 4 175.463 175.463 174.979 0.484 19151 7744 1 11 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.172 -0.339 19151 7745 1 11 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.254 3.416 19151 7746 1 11 . 1 1 4 4 ILE H H 4 8.860 8.860 9.237 -0.377 19151 7747 1 11 . 1 1 5 5 GLY N N 5 119.310 119.310 114.955 4.355 19151 7748 1 11 . 1 1 5 5 GLY C C 5 171.260 171.260 172.933 -1.673 19151 7749 1 11 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.648 0.172 19151 7750 1 11 . 1 1 5 5 GLY H H 5 8.469 8.469 8.276 0.193 19151 7751 1 11 . 1 1 6 6 ILE N N 6 126.915 126.915 126.029 0.886 19151 7752 1 11 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.109 0.081 19151 7753 1 11 . 1 1 6 6 ILE C C 6 173.901 173.901 174.471 -0.570 19151 7754 1 11 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.646 -0.646 19151 7755 1 11 . 1 1 6 6 ILE CB C 6 38.000 38.000 40.049 -2.049 19151 7756 1 11 . 1 1 6 6 ILE H H 6 9.056 9.056 9.218 -0.162 19151 7757 1 11 . 1 1 7 7 PHE N N 7 127.354 127.354 127.458 -0.104 19151 7758 1 11 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.078 -0.566 19151 7759 1 11 . 1 1 7 7 PHE C C 7 174.230 174.230 174.802 -0.572 19151 7760 1 11 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.373 2.037 19151 7761 1 11 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.970 0.758 19151 7762 1 11 . 1 1 7 7 PHE H H 7 8.960 8.960 9.567 -0.607 19151 7763 1 11 . 1 1 8 8 VAL N N 8 127.270 127.270 124.417 2.853 19151 7764 1 11 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.212 -0.152 19151 7765 1 11 . 1 1 8 8 VAL C C 8 175.450 175.450 175.445 0.005 19151 7766 1 11 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.354 0.846 19151 7767 1 11 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.472 0.965 19151 7768 1 11 . 1 1 8 8 VAL H H 8 8.581 8.581 7.730 0.851 19151 7769 1 11 . 1 1 9 9 GLY N N 9 115.000 115.000 116.807 -1.807 19151 7770 1 11 . 1 1 9 9 GLY C C 9 173.150 173.150 172.425 0.725 19151 7771 1 11 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.352 0.647 19151 7772 1 11 . 1 1 9 9 GLY H H 9 9.393 9.393 8.930 0.463 19151 7773 1 11 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.714 -0.019 19151 7774 1 11 . 1 1 12 12 TYR C C 12 176.560 176.560 176.958 -0.398 19151 7775 1 11 . 1 1 12 12 TYR CA C 12 57.750 57.750 57.316 0.434 19151 7776 1 11 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.897 -0.897 19151 7777 1 11 . 1 1 13 13 GLY N N 13 109.870 109.870 108.845 1.025 19151 7778 1 11 . 1 1 13 13 GLY C C 13 175.930 175.930 174.297 1.633 19151 7779 1 11 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.950 1.050 19151 7780 1 11 . 1 1 13 13 GLY H H 13 8.500 8.500 8.631 -0.131 19151 7781 1 11 . 1 1 17 17 LEU HA H 17 4.230 4.230 3.985 0.245 19151 7782 1 11 . 1 1 17 17 LEU C C 17 179.210 179.210 177.204 2.006 19151 7783 1 11 . 1 1 17 17 LEU CA C 17 58.400 58.400 58.061 0.339 19151 7784 1 11 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.698 -0.398 19151 7785 1 11 . 1 1 18 18 VAL N N 18 117.231 117.231 117.462 -0.231 19151 7786 1 11 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.617 -0.294 19151 7787 1 11 . 1 1 18 18 VAL C C 18 178.460 178.460 178.098 0.362 19151 7788 1 11 . 1 1 18 18 VAL CA C 18 66.866 66.866 65.559 1.307 19151 7789 1 11 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.360 1.100 19151 7790 1 11 . 1 1 18 18 VAL H H 18 7.645 7.645 7.800 -0.155 19151 7791 1 11 . 1 1 19 19 ALA N N 19 121.820 121.820 121.759 0.061 19151 7792 1 11 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.963 -0.147 19151 7793 1 11 . 1 1 19 19 ALA C C 19 178.180 178.180 179.300 -1.120 19151 7794 1 11 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.774 -0.198 19151 7795 1 11 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.133 1.867 19151 7796 1 11 . 1 1 19 19 ALA H H 19 8.010 8.010 8.747 -0.737 19151 7797 1 11 . 1 1 20 20 GLU N N 20 118.960 118.960 118.277 0.683 19151 7798 1 11 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.005 0.011 19151 7799 1 11 . 1 1 20 20 GLU C C 20 180.950 180.950 179.411 1.539 19151 7800 1 11 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.256 0.410 19151 7801 1 11 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.250 0.050 19151 7802 1 11 . 1 1 20 20 GLU H H 20 8.700 8.700 7.881 0.819 19151 7803 1 11 . 1 1 21 21 GLU N N 21 121.371 121.371 119.910 1.461 19151 7804 1 11 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.096 -0.052 19151 7805 1 11 . 1 1 21 21 GLU C C 21 179.419 179.419 178.911 0.508 19151 7806 1 11 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.228 0.082 19151 7807 1 11 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.348 0.213 19151 7808 1 11 . 1 1 21 21 GLU H H 21 8.632 8.632 8.051 0.581 19151 7809 1 11 . 1 1 22 22 ALA N N 22 121.329 121.329 122.623 -1.294 19151 7810 1 11 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.088 -0.030 19151 7811 1 11 . 1 1 22 22 ALA C C 22 178.823 178.823 179.380 -0.557 19151 7812 1 11 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.575 -0.898 19151 7813 1 11 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.193 -0.550 19151 7814 1 11 . 1 1 22 22 ALA H H 22 8.182 8.182 8.576 -0.394 19151 7815 1 11 . 1 1 23 23 GLU N N 23 119.035 119.035 119.264 -0.229 19151 7816 1 11 . 1 1 23 23 GLU HA H 23 3.404 3.404 3.994 -0.590 19151 7817 1 11 . 1 1 23 23 GLU C C 23 178.375 178.375 178.599 -0.224 19151 7818 1 11 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.766 0.542 19151 7819 1 11 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.622 -0.692 19151 7820 1 11 . 1 1 23 23 GLU H H 23 8.387 8.387 8.433 -0.046 19151 7821 1 11 . 1 1 24 24 ALA N N 24 122.207 122.207 121.721 0.486 19151 7822 1 11 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.113 -0.083 19151 7823 1 11 . 1 1 24 24 ALA C C 24 181.132 181.132 179.887 1.245 19151 7824 1 11 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.079 0.408 19151 7825 1 11 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.622 -0.622 19151 7826 1 11 . 1 1 24 24 ALA H H 24 7.535 7.535 7.570 -0.035 19151 7827 1 11 . 1 1 25 25 ILE N N 25 121.059 121.059 120.238 0.821 19151 7828 1 11 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.742 -0.078 19151 7829 1 11 . 1 1 25 25 ILE C C 25 178.419 178.419 177.928 0.491 19151 7830 1 11 . 1 1 25 25 ILE CA C 25 65.108 65.108 65.930 -0.822 19151 7831 1 11 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.165 0.798 19151 7832 1 11 . 1 1 25 25 ILE H H 25 7.800 7.800 8.513 -0.713 19151 7833 1 11 . 1 1 26 26 LEU N N 26 119.307 119.307 120.734 -1.427 19151 7834 1 11 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.146 0.030 19151 7835 1 11 . 1 1 26 26 LEU C C 26 179.863 179.863 179.678 0.185 19151 7836 1 11 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.503 -0.557 19151 7837 1 11 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.291 -0.151 19151 7838 1 11 . 1 1 26 26 LEU H H 26 8.509 8.509 8.705 -0.196 19151 7839 1 11 . 1 1 27 27 THR N N 27 117.830 117.830 115.929 1.901 19151 7840 1 11 . 1 1 27 27 THR HA H 27 4.524 4.524 4.272 0.252 19151 7841 1 11 . 1 1 27 27 THR C C 27 179.027 179.027 176.394 2.633 19151 7842 1 11 . 1 1 27 27 THR CA C 27 66.000 66.000 66.505 -0.505 19151 7843 1 11 . 1 1 27 27 THR CB C 27 68.600 68.600 68.876 -0.276 19151 7844 1 11 . 1 1 27 27 THR H H 27 8.796 8.796 8.359 0.437 19151 7845 1 11 . 1 1 28 28 ALA N N 28 126.313 126.313 122.353 3.960 19151 7846 1 11 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.137 0.068 19151 7847 1 11 . 1 1 28 28 ALA C C 28 179.360 179.360 179.645 -0.285 19151 7848 1 11 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.446 0.554 19151 7849 1 11 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.346 -0.696 19151 7850 1 11 . 1 1 28 28 ALA H H 28 7.832 7.832 7.962 -0.130 19151 7851 1 11 . 1 1 29 29 GLN N N 29 115.527 115.527 116.482 -0.955 19151 7852 1 11 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.218 -0.091 19151 7853 1 11 . 1 1 29 29 GLN C C 29 176.547 176.547 176.912 -0.365 19151 7854 1 11 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.544 0.019 19151 7855 1 11 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.474 -0.064 19151 7856 1 11 . 1 1 29 29 GLN H H 29 7.353 7.353 8.452 -1.099 19151 7857 1 11 . 1 1 30 30 GLY N N 30 105.961 105.961 107.151 -1.190 19151 7858 1 11 . 1 1 30 30 GLY C C 30 174.785 174.785 173.241 1.544 19151 7859 1 11 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.559 -0.059 19151 7860 1 11 . 1 1 30 30 GLY H H 30 7.923 7.923 7.742 0.181 19151 7861 1 11 . 1 1 31 31 HIS N N 31 119.471 119.471 117.478 1.993 19151 7862 1 11 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.940 -0.105 19151 7863 1 11 . 1 1 31 31 HIS C C 31 174.665 174.665 173.661 1.004 19151 7864 1 11 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.479 1.363 19151 7865 1 11 . 1 1 31 31 HIS CB C 31 32.000 32.000 32.050 -0.050 19151 7866 1 11 . 1 1 31 31 HIS H H 31 7.558 7.558 8.094 -0.536 19151 7867 1 11 . 1 1 32 32 LYS N N 32 121.854 121.854 122.175 -0.321 19151 7868 1 11 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.470 0.253 19151 7869 1 11 . 1 1 32 32 LYS C C 32 174.466 174.466 174.788 -0.322 19151 7870 1 11 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.719 0.146 19151 7871 1 11 . 1 1 32 32 LYS CB C 32 32.960 32.960 31.712 1.248 19151 7872 1 11 . 1 1 32 32 LYS H H 32 8.665 8.665 8.770 -0.105 19151 7873 1 11 . 1 1 33 33 ALA N N 33 130.188 130.188 129.229 0.959 19151 7874 1 11 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.609 0.209 19151 7875 1 11 . 1 1 33 33 ALA C C 33 175.567 175.567 176.686 -1.119 19151 7876 1 11 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.582 -0.606 19151 7877 1 11 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.670 0.627 19151 7878 1 11 . 1 1 33 33 ALA H H 33 8.837 8.837 7.978 0.859 19151 7879 1 11 . 1 1 34 34 THR N N 34 117.164 117.164 117.594 -0.430 19151 7880 1 11 . 1 1 34 34 THR HA H 34 4.359 4.359 4.696 -0.337 19151 7881 1 11 . 1 1 34 34 THR C C 34 171.315 171.315 173.184 -1.869 19151 7882 1 11 . 1 1 34 34 THR CA C 34 61.840 61.840 61.521 0.319 19151 7883 1 11 . 1 1 34 34 THR CB C 34 71.800 71.800 72.447 -0.646 19151 7884 1 11 . 1 1 34 34 THR H H 34 7.826 7.826 8.788 -0.962 19151 7885 1 11 . 1 1 35 35 VAL N N 35 126.650 126.650 124.579 2.071 19151 7886 1 11 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.302 -0.119 19151 7887 1 11 . 1 1 35 35 VAL C C 35 174.675 174.675 175.521 -0.846 19151 7888 1 11 . 1 1 35 35 VAL CA C 35 61.928 61.928 62.143 -0.215 19151 7889 1 11 . 1 1 35 35 VAL CB C 35 32.650 32.650 31.728 0.922 19151 7890 1 11 . 1 1 35 35 VAL H H 35 8.496 8.496 8.899 -0.403 19151 7891 1 11 . 1 1 36 36 PHE N N 36 127.630 127.630 127.167 0.463 19151 7892 1 11 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.615 -0.064 19151 7893 1 11 . 1 1 36 36 PHE C C 36 174.347 174.347 174.381 -0.034 19151 7894 1 11 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.475 1.007 19151 7895 1 11 . 1 1 36 36 PHE CB C 36 40.165 40.165 39.818 0.347 19151 7896 1 11 . 1 1 36 36 PHE H H 36 9.164 9.164 9.161 0.003 19151 7897 1 11 . 1 1 37 37 GLU N N 37 123.516 123.516 124.954 -1.438 19151 7898 1 11 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.404 0.066 19151 7899 1 11 . 1 1 37 37 GLU C C 37 175.954 175.954 176.021 -0.067 19151 7900 1 11 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.461 -0.742 19151 7901 1 11 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.848 0.612 19151 7902 1 11 . 1 1 37 37 GLU H H 37 8.455 8.455 8.616 -0.161 19151 7903 1 11 . 1 1 38 38 ASP N N 38 120.395 120.395 121.602 -1.207 19151 7904 1 11 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.474 0.359 19151 7905 1 11 . 1 1 38 38 ASP C C 38 173.920 173.920 174.654 -0.734 19151 7906 1 11 . 1 1 38 38 ASP CA C 38 54.477 54.477 53.816 0.661 19151 7907 1 11 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.685 -0.082 19151 7908 1 11 . 1 1 38 38 ASP H H 38 9.602 9.602 8.644 0.958 19151 7909 1 11 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.592 0.088 19151 7910 1 11 . 1 1 39 39 PRO C C 39 176.274 176.274 176.399 -0.125 19151 7911 1 11 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.160 -0.176 19151 7912 1 11 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.888 1.512 19151 7913 1 11 . 1 1 40 40 GLU N N 40 119.026 119.026 121.256 -2.230 19151 7914 1 11 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.637 0.091 19151 7915 1 11 . 1 1 40 40 GLU C C 40 177.827 177.827 178.434 -0.607 19151 7916 1 11 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.099 -0.129 19151 7917 1 11 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.343 2.058 19151 7918 1 11 . 1 1 40 40 GLU H H 40 9.178 9.178 8.963 0.215 19151 7919 1 11 . 1 1 41 41 LEU N N 41 123.708 123.708 123.765 -0.057 19151 7920 1 11 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.251 -0.357 19151 7921 1 11 . 1 1 41 41 LEU C C 41 178.730 178.730 177.523 1.207 19151 7922 1 11 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.464 0.943 19151 7923 1 11 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.711 -0.058 19151 7924 1 11 . 1 1 41 41 LEU H H 41 9.160 9.160 8.660 0.500 19151 7925 1 11 . 1 1 42 42 SER N N 42 110.500 110.500 113.849 -3.349 19151 7926 1 11 . 1 1 42 42 SER HA H 42 4.010 4.010 4.245 -0.235 19151 7927 1 11 . 1 1 42 42 SER C C 42 176.300 176.300 175.179 1.121 19151 7928 1 11 . 1 1 42 42 SER CA C 42 61.600 61.600 60.804 0.796 19151 7929 1 11 . 1 1 42 42 SER CB C 42 62.140 62.140 62.885 -0.745 19151 7930 1 11 . 1 1 42 42 SER H H 42 8.415 8.415 8.528 -0.113 19151 7931 1 11 . 1 1 43 43 ASP N N 43 119.770 119.770 120.579 -0.809 19151 7932 1 11 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.640 -0.183 19151 7933 1 11 . 1 1 43 43 ASP C C 43 176.150 176.150 176.224 -0.074 19151 7934 1 11 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.755 0.995 19151 7935 1 11 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.908 1.792 19151 7936 1 11 . 1 1 43 43 ASP H H 43 7.690 7.690 8.069 -0.379 19151 7937 1 11 . 1 1 44 44 TRP N N 44 118.500 118.500 121.124 -2.624 19151 7938 1 11 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.576 -0.366 19151 7939 1 11 . 1 1 44 44 TRP C C 44 177.150 177.150 177.698 -0.548 19151 7940 1 11 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.512 0.875 19151 7941 1 11 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.742 -0.432 19151 7942 1 11 . 1 1 44 44 TRP H H 44 7.464 7.464 7.452 0.012 19151 7943 1 11 . 1 1 45 45 LEU N N 45 114.100 114.100 120.855 -6.755 19151 7944 1 11 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.059 0.116 19151 7945 1 11 . 1 1 45 45 LEU C C 45 176.300 176.300 175.823 0.477 19151 7946 1 11 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.239 -0.679 19151 7947 1 11 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.373 -0.153 19151 7948 1 11 . 1 1 45 45 LEU H H 45 7.550 7.550 8.365 -0.815 19151 7949 1 11 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.180 0.200 19151 7950 1 11 . 1 1 46 46 PRO C C 46 176.799 176.799 177.475 -0.676 19151 7951 1 11 . 1 1 46 46 PRO CA C 46 65.287 65.287 65.176 0.111 19151 7952 1 11 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.160 0.440 19151 7953 1 11 . 1 1 47 47 TYR N N 47 113.790 113.790 115.753 -1.963 19151 7954 1 11 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.637 -0.517 19151 7955 1 11 . 1 1 47 47 TYR C C 47 175.730 175.730 177.842 -2.112 19151 7956 1 11 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.487 1.713 19151 7957 1 11 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.860 0.156 19151 7958 1 11 . 1 1 47 47 TYR H H 47 8.291 8.291 8.302 -0.011 19151 7959 1 11 . 1 1 48 48 GLN N N 48 116.524 116.524 120.103 -3.579 19151 7960 1 11 . 1 1 48 48 GLN HA H 48 3.885 3.885 4.012 -0.127 19151 7961 1 11 . 1 1 48 48 GLN C C 48 174.381 174.381 176.006 -1.625 19151 7962 1 11 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.338 0.488 19151 7963 1 11 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.729 2.271 19151 7964 1 11 . 1 1 48 48 GLN H H 48 7.300 7.300 7.455 -0.155 19151 7965 1 11 . 1 1 49 49 ASP N N 49 114.657 114.657 113.318 1.339 19151 7966 1 11 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.734 -0.047 19151 7967 1 11 . 1 1 49 49 ASP C C 49 176.307 176.307 175.102 1.205 19151 7968 1 11 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.712 -1.977 19151 7969 1 11 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.133 -0.932 19151 7970 1 11 . 1 1 49 49 ASP H H 49 7.854 7.854 8.280 -0.426 19151 7971 1 11 . 1 1 50 50 LYS N N 50 123.514 123.514 118.607 4.907 19151 7972 1 11 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.181 0.409 19151 7973 1 11 . 1 1 50 50 LYS C C 50 172.964 172.964 174.880 -1.916 19151 7974 1 11 . 1 1 50 50 LYS CA C 50 54.693 54.693 54.795 -0.102 19151 7975 1 11 . 1 1 50 50 LYS CB C 50 33.500 33.500 35.425 -1.925 19151 7976 1 11 . 1 1 50 50 LYS H H 50 7.833 7.833 7.562 0.271 19151 7977 1 11 . 1 1 51 51 TYR N N 51 118.375 118.375 115.571 2.804 19151 7978 1 11 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.835 0.220 19151 7979 1 11 . 1 1 51 51 TYR C C 51 175.875 175.875 176.216 -0.341 19151 7980 1 11 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.495 0.926 19151 7981 1 11 . 1 1 51 51 TYR CB C 51 42.477 42.477 41.414 1.063 19151 7982 1 11 . 1 1 51 51 TYR H H 51 7.745 7.745 7.967 -0.222 19151 7983 1 11 . 1 1 52 52 VAL N N 52 112.527 112.527 114.162 -1.635 19151 7984 1 11 . 1 1 52 52 VAL HA H 52 5.500 5.500 5.118 0.382 19151 7985 1 11 . 1 1 52 52 VAL C C 52 173.910 173.910 174.097 -0.187 19151 7986 1 11 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.246 -1.550 19151 7987 1 11 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.650 0.842 19151 7988 1 11 . 1 1 52 52 VAL H H 52 8.673 8.673 8.338 0.335 19151 7989 1 11 . 1 1 53 53 LEU N N 53 124.294 124.294 123.638 0.656 19151 7990 1 11 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.296 -0.396 19151 7991 1 11 . 1 1 53 53 LEU C C 53 175.070 175.070 174.495 0.575 19151 7992 1 11 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.577 -1.011 19151 7993 1 11 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.340 -1.111 19151 7994 1 11 . 1 1 53 53 LEU H H 53 9.137 9.137 9.250 -0.113 19151 7995 1 11 . 1 1 54 54 VAL N N 54 127.850 127.850 127.306 0.544 19151 7996 1 11 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.649 -0.139 19151 7997 1 11 . 1 1 54 54 VAL C C 54 174.030 174.030 174.390 -0.360 19151 7998 1 11 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.178 0.647 19151 7999 1 11 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.153 -0.462 19151 8000 1 11 . 1 1 54 54 VAL H H 54 8.619 8.619 9.009 -0.390 19151 8001 1 11 . 1 1 55 55 VAL N N 55 127.181 127.181 128.624 -1.443 19151 8002 1 11 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.796 0.289 19151 8003 1 11 . 1 1 55 55 VAL C C 55 174.942 174.942 174.493 0.449 19151 8004 1 11 . 1 1 55 55 VAL CA C 55 60.069 60.069 61.296 -1.227 19151 8005 1 11 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.676 -0.454 19151 8006 1 11 . 1 1 55 55 VAL H H 55 8.578 8.578 9.066 -0.488 19151 8007 1 11 . 1 1 56 56 THR N N 56 117.420 117.420 122.842 -5.422 19151 8008 1 11 . 1 1 56 56 THR HA H 56 5.590 5.590 5.136 0.454 19151 8009 1 11 . 1 1 56 56 THR C C 56 172.640 172.640 172.468 0.172 19151 8010 1 11 . 1 1 56 56 THR CA C 56 59.359 59.359 60.896 -1.537 19151 8011 1 11 . 1 1 56 56 THR CB C 56 70.715 70.715 70.830 -0.115 19151 8012 1 11 . 1 1 56 56 THR H H 56 8.710 8.710 8.964 -0.254 19151 8013 1 11 . 1 1 57 57 SER HA H 57 5.250 5.250 5.177 0.073 19151 8014 1 11 . 1 1 57 57 SER CA C 57 57.730 57.730 56.572 1.158 19151 8015 1 11 . 1 1 57 57 SER CB C 57 64.500 64.500 64.560 -0.060 19151 8016 1 11 . 1 1 57 57 SER H H 57 8.075 8.075 8.703 -0.628 19151 8017 1 11 . 1 1 58 58 THR H H 58 7.900 7.900 8.698 -0.798 19151 8018 1 11 . 1 1 59 59 THR HA H 59 4.900 4.900 4.082 0.818 19151 8019 1 11 . 1 1 59 59 THR CA C 59 61.200 61.200 65.939 -4.739 19151 8020 1 11 . 1 1 59 59 THR CB C 59 73.400 73.400 69.231 4.169 19151 8021 1 11 . 1 1 59 59 THR H H 59 9.230 9.230 7.792 1.438 19151 8022 1 11 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.362 1.138 19151 8023 1 11 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.188 0.218 19151 8024 1 11 . 1 1 61 61 GLN C C 61 175.950 175.950 176.325 -0.375 19151 8025 1 11 . 1 1 61 61 GLN CA C 61 55.350 55.350 56.904 -1.554 19151 8026 1 11 . 1 1 61 61 GLN CB C 61 29.160 29.160 29.116 0.044 19151 8027 1 11 . 1 1 62 62 GLY N N 62 108.420 108.420 105.109 3.311 19151 8028 1 11 . 1 1 62 62 GLY C C 62 173.134 173.134 173.142 -0.008 19151 8029 1 11 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.849 0.935 19151 8030 1 11 . 1 1 62 62 GLY H H 62 8.073 8.073 7.327 0.746 19151 8031 1 11 . 1 1 63 63 ASP N N 63 118.400 118.400 119.891 -1.491 19151 8032 1 11 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.893 -0.113 19151 8033 1 11 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.513 0.783 19151 8034 1 11 . 1 1 63 63 ASP CB C 63 42.740 42.740 44.034 -1.294 19151 8035 1 11 . 1 1 63 63 ASP H H 63 7.248 7.248 8.397 -1.149 19151 8036 1 11 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.577 -0.177 19151 8037 1 11 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.870 1.280 19151 8038 1 11 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.990 -1.303 19151 8039 1 11 . 1 1 64 64 LEU H H 64 8.445 8.445 8.080 0.365 19151 8040 1 11 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.470 -0.177 19151 8041 1 11 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.574 -0.230 19151 8042 1 11 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.635 -0.155 19151 8043 1 11 . 1 1 66 66 ASP N N 66 121.200 121.200 121.686 -0.486 19151 8044 1 11 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.392 -0.132 19151 8045 1 11 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.395 1.235 19151 8046 1 11 . 1 1 66 66 ASP CB C 66 40.800 40.800 41.038 -0.238 19151 8047 1 11 . 1 1 66 66 ASP H H 66 8.605 8.605 8.702 -0.097 19151 8048 1 11 . 1 1 67 67 SER HA H 67 4.292 4.292 4.368 -0.076 19151 8049 1 11 . 1 1 67 67 SER C C 67 175.650 175.650 175.058 0.592 19151 8050 1 11 . 1 1 67 67 SER CA C 67 60.500 60.500 60.547 -0.047 19151 8051 1 11 . 1 1 67 67 SER CB C 67 63.530 63.530 63.959 -0.429 19151 8052 1 11 . 1 1 68 68 ILE N N 68 120.550 120.550 121.222 -0.672 19151 8053 1 11 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.481 0.629 19151 8054 1 11 . 1 1 68 68 ILE C C 68 174.713 174.713 176.527 -1.814 19151 8055 1 11 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.727 -0.327 19151 8056 1 11 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.478 3.762 19151 8057 1 11 . 1 1 68 68 ILE H H 68 7.870 7.870 7.562 0.308 19151 8058 1 11 . 1 1 69 69 VAL N N 69 125.740 125.740 123.421 2.319 19151 8059 1 11 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.673 0.072 19151 8060 1 11 . 1 1 69 69 VAL C C 69 174.500 174.500 175.038 -0.538 19151 8061 1 11 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.495 -0.945 19151 8062 1 11 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.442 0.688 19151 8063 1 11 . 1 1 69 69 VAL H H 69 7.428 7.428 8.421 -0.993 19151 8064 1 11 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.304 -0.012 19151 8065 1 11 . 1 1 70 70 PRO C C 70 180.820 180.820 178.626 2.194 19151 8066 1 11 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.133 0.337 19151 8067 1 11 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.229 -0.572 19151 8068 1 11 . 1 1 71 71 LEU N N 71 119.467 119.467 120.101 -0.634 19151 8069 1 11 . 1 1 71 71 LEU HA H 71 3.845 3.845 3.987 -0.142 19151 8070 1 11 . 1 1 71 71 LEU C C 71 176.489 176.489 178.076 -1.587 19151 8071 1 11 . 1 1 71 71 LEU CA C 71 58.207 58.207 58.091 0.116 19151 8072 1 11 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.824 -0.338 19151 8073 1 11 . 1 1 71 71 LEU H H 71 7.918 7.918 7.611 0.307 19151 8074 1 11 . 1 1 72 72 PHE N N 72 119.361 119.361 119.181 0.180 19151 8075 1 11 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.274 -0.129 19151 8076 1 11 . 1 1 72 72 PHE C C 72 175.968 175.968 177.161 -1.193 19151 8077 1 11 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.652 0.169 19151 8078 1 11 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.670 0.877 19151 8079 1 11 . 1 1 72 72 PHE H H 72 7.903 7.903 8.692 -0.789 19151 8080 1 11 . 1 1 73 73 GLN N N 73 116.100 116.100 116.929 -0.829 19151 8081 1 11 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.649 -0.122 19151 8082 1 11 . 1 1 73 73 GLN C C 73 177.871 177.871 178.517 -0.646 19151 8083 1 11 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.754 -0.614 19151 8084 1 11 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.498 -0.351 19151 8085 1 11 . 1 1 73 73 GLN H H 73 9.042 9.042 8.665 0.377 19151 8086 1 11 . 1 1 74 74 GLY N N 74 107.110 107.110 108.515 -1.405 19151 8087 1 11 . 1 1 74 74 GLY C C 74 175.894 175.894 176.115 -0.221 19151 8088 1 11 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.786 0.494 19151 8089 1 11 . 1 1 74 74 GLY H H 74 8.045 8.045 8.004 0.041 19151 8090 1 11 . 1 1 75 75 ILE N N 75 123.629 123.629 122.840 0.789 19151 8091 1 11 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.369 -0.319 19151 8092 1 11 . 1 1 75 75 ILE C C 75 178.622 178.622 177.080 1.542 19151 8093 1 11 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.787 0.470 19151 8094 1 11 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.412 0.556 19151 8095 1 11 . 1 1 75 75 ILE H H 75 8.174 8.174 8.093 0.081 19151 8096 1 11 . 1 1 76 76 LYS N N 76 119.363 119.363 118.296 1.067 19151 8097 1 11 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.788 -0.483 19151 8098 1 11 . 1 1 76 76 LYS C C 76 177.909 177.909 178.260 -0.351 19151 8099 1 11 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.205 0.500 19151 8100 1 11 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.920 0.430 19151 8101 1 11 . 1 1 76 76 LYS H H 76 7.600 7.600 7.442 0.158 19151 8102 1 11 . 1 1 77 77 ASP N N 77 115.190 115.190 118.000 -2.810 19151 8103 1 11 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.626 -0.144 19151 8104 1 11 . 1 1 77 77 ASP C C 77 178.825 178.825 178.177 0.648 19151 8105 1 11 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.940 0.340 19151 8106 1 11 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.880 -0.691 19151 8107 1 11 . 1 1 77 77 ASP H H 77 8.482 8.482 8.226 0.256 19151 8108 1 11 . 1 1 78 78 SER N N 78 112.576 112.576 116.068 -3.492 19151 8109 1 11 . 1 1 78 78 SER HA H 78 4.728 4.728 4.395 0.333 19151 8110 1 11 . 1 1 78 78 SER C C 78 174.556 174.556 175.053 -0.497 19151 8111 1 11 . 1 1 78 78 SER CA C 78 60.045 60.045 60.534 -0.489 19151 8112 1 11 . 1 1 78 78 SER CB C 78 64.643 64.643 63.930 0.713 19151 8113 1 11 . 1 1 78 78 SER H H 78 8.273 8.273 7.900 0.373 19151 8114 1 11 . 1 1 79 79 LEU N N 79 120.833 120.833 120.947 -0.114 19151 8115 1 11 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.436 0.379 19151 8116 1 11 . 1 1 79 79 LEU C C 79 176.251 176.251 179.019 -2.768 19151 8117 1 11 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.445 -2.485 19151 8118 1 11 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.288 -3.092 19151 8119 1 11 . 1 1 79 79 LEU H H 79 7.025 7.025 7.520 -0.495 19151 8120 1 11 . 1 1 80 80 GLY N N 80 108.861 108.861 107.330 1.531 19151 8121 1 11 . 1 1 80 80 GLY C C 80 173.623 173.623 173.603 0.020 19151 8122 1 11 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.654 -0.425 19151 8123 1 11 . 1 1 80 80 GLY H H 80 7.499 7.499 8.235 -0.736 19151 8124 1 11 . 1 1 81 81 PHE N N 81 121.441 121.441 119.455 1.986 19151 8125 1 11 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.770 0.290 19151 8126 1 11 . 1 1 81 81 PHE C C 81 174.411 174.411 172.515 1.896 19151 8127 1 11 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.219 -0.008 19151 8128 1 11 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.330 -0.710 19151 8129 1 11 . 1 1 81 81 PHE H H 81 8.018 8.018 7.525 0.493 19151 8130 1 11 . 1 1 82 82 GLN N N 82 126.480 126.480 123.053 3.427 19151 8131 1 11 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.636 0.254 19151 8132 1 11 . 1 1 82 82 GLN C C 82 172.700 172.700 173.365 -0.665 19151 8133 1 11 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.075 2.102 19151 8134 1 11 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.847 1.753 19151 8135 1 11 . 1 1 82 82 GLN H H 82 9.588 9.588 7.472 2.116 19151 8136 1 11 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.430 -0.057 19151 8137 1 11 . 1 1 83 83 PRO C C 83 178.163 178.163 176.646 1.517 19151 8138 1 11 . 1 1 83 83 PRO CA C 83 63.691 63.691 63.894 -0.203 19151 8139 1 11 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.860 -0.995 19151 8140 1 11 . 1 1 84 84 ASN N N 84 116.900 116.900 115.655 1.245 19151 8141 1 11 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.849 -0.080 19151 8142 1 11 . 1 1 84 84 ASN C C 84 173.332 173.332 173.627 -0.295 19151 8143 1 11 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.806 -0.246 19151 8144 1 11 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.624 -1.364 19151 8145 1 11 . 1 1 84 84 ASN H H 84 8.578 8.578 8.315 0.263 19151 8146 1 11 . 1 1 85 85 LEU N N 85 124.380 124.380 123.456 0.924 19151 8147 1 11 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.452 -0.406 19151 8148 1 11 . 1 1 85 85 LEU C C 85 175.880 175.880 175.224 0.656 19151 8149 1 11 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.668 1.174 19151 8150 1 11 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.259 -0.959 19151 8151 1 11 . 1 1 85 85 LEU H H 85 7.240 7.240 7.978 -0.738 19151 8152 1 11 . 1 1 86 86 ARG N N 86 128.715 128.715 124.796 3.919 19151 8153 1 11 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.076 0.718 19151 8154 1 11 . 1 1 86 86 ARG C C 86 175.554 175.554 174.658 0.896 19151 8155 1 11 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.101 0.341 19151 8156 1 11 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.128 -1.255 19151 8157 1 11 . 1 1 86 86 ARG H H 86 7.732 7.732 8.186 -0.454 19151 8158 1 11 . 1 1 87 87 TYR N N 87 117.420 117.420 119.226 -1.806 19151 8159 1 11 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.584 1.181 19151 8160 1 11 . 1 1 87 87 TYR C C 87 172.931 172.931 173.198 -0.267 19151 8161 1 11 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.547 -1.286 19151 8162 1 11 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.752 3.186 19151 8163 1 11 . 1 1 87 87 TYR H H 87 8.783 8.783 8.135 0.648 19151 8164 1 11 . 1 1 88 88 GLY N N 88 107.765 107.765 105.654 2.111 19151 8165 1 11 . 1 1 88 88 GLY C C 88 172.621 172.621 171.026 1.595 19151 8166 1 11 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.626 1.236 19151 8167 1 11 . 1 1 88 88 GLY H H 88 8.905 8.905 8.801 0.104 19151 8168 1 11 . 1 1 89 89 VAL N N 89 118.180 118.180 118.482 -0.302 19151 8169 1 11 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.939 0.062 19151 8170 1 11 . 1 1 89 89 VAL C C 89 172.939 172.939 172.821 0.118 19151 8171 1 11 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.124 0.875 19151 8172 1 11 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.002 1.396 19151 8173 1 11 . 1 1 89 89 VAL H H 89 7.499 7.499 8.092 -0.593 19151 8174 1 11 . 1 1 90 90 ILE N N 90 125.000 125.000 126.878 -1.878 19151 8175 1 11 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.202 -0.075 19151 8176 1 11 . 1 1 90 90 ILE C C 90 173.099 173.099 173.531 -0.432 19151 8177 1 11 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.805 0.683 19151 8178 1 11 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.559 -0.161 19151 8179 1 11 . 1 1 90 90 ILE H H 90 8.810 8.810 8.920 -0.110 19151 8180 1 11 . 1 1 91 91 ALA N N 91 129.036 129.036 129.883 -0.847 19151 8181 1 11 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.388 -0.062 19151 8182 1 11 . 1 1 91 91 ALA C C 91 174.000 174.000 175.678 -1.678 19151 8183 1 11 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.669 -0.669 19151 8184 1 11 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.074 1.026 19151 8185 1 11 . 1 1 91 91 ALA H H 91 9.253 9.253 8.920 0.333 19151 8186 1 11 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.154 -0.223 19151 8187 1 11 . 1 1 92 92 LEU C C 92 177.366 177.366 177.066 0.300 19151 8188 1 11 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.010 0.907 19151 8189 1 11 . 1 1 92 92 LEU CB C 92 43.400 43.400 45.925 -2.525 19151 8190 1 11 . 1 1 93 93 GLY N N 93 110.663 110.663 108.632 2.031 19151 8191 1 11 . 1 1 93 93 GLY C C 93 172.029 172.029 171.946 0.083 19151 8192 1 11 . 1 1 93 93 GLY CA C 93 45.730 45.730 46.009 -0.279 19151 8193 1 11 . 1 1 93 93 GLY H H 93 8.687 8.687 8.861 -0.174 19151 8194 1 11 . 1 1 94 94 ASP N N 94 119.304 119.304 121.835 -2.531 19151 8195 1 11 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.580 -0.320 19151 8196 1 11 . 1 1 94 94 ASP C C 94 176.978 176.978 177.807 -0.829 19151 8197 1 11 . 1 1 94 94 ASP CA C 94 53.607 53.607 51.781 1.827 19151 8198 1 11 . 1 1 94 94 ASP CB C 94 43.000 43.000 43.022 -0.022 19151 8199 1 11 . 1 1 94 94 ASP H H 94 8.129 8.129 8.647 -0.518 19151 8200 1 11 . 1 1 95 95 SER N N 95 123.897 123.897 123.092 0.805 19151 8201 1 11 . 1 1 95 95 SER HA H 95 3.895 3.895 4.026 -0.131 19151 8202 1 11 . 1 1 95 95 SER C C 95 175.243 175.243 175.488 -0.245 19151 8203 1 11 . 1 1 95 95 SER CA C 95 60.183 60.183 60.343 -0.161 19151 8204 1 11 . 1 1 95 95 SER CB C 95 61.700 61.700 62.460 -0.760 19151 8205 1 11 . 1 1 95 95 SER H H 95 8.878 8.878 9.527 -0.649 19151 8206 1 11 . 1 1 96 96 SER N N 96 119.248 119.248 117.151 2.097 19151 8207 1 11 . 1 1 96 96 SER HA H 96 4.209 4.209 4.191 0.018 19151 8208 1 11 . 1 1 96 96 SER C C 96 173.900 173.900 175.057 -1.157 19151 8209 1 11 . 1 1 96 96 SER CA C 96 60.197 60.197 60.036 0.161 19151 8210 1 11 . 1 1 96 96 SER CB C 96 63.000 63.000 63.517 -0.517 19151 8211 1 11 . 1 1 96 96 SER H H 96 9.124 9.124 8.270 0.854 19151 8212 1 11 . 1 1 97 97 TYR N N 97 120.889 120.889 120.506 0.383 19151 8213 1 11 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.511 0.377 19151 8214 1 11 . 1 1 97 97 TYR C C 97 175.972 175.972 178.035 -2.063 19151 8215 1 11 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.678 -2.928 19151 8216 1 11 . 1 1 97 97 TYR CB C 97 39.820 39.820 38.746 1.074 19151 8217 1 11 . 1 1 97 97 TYR H H 97 7.664 7.664 7.762 -0.098 19151 8218 1 11 . 1 1 98 98 VAL N N 98 116.952 116.952 122.014 -5.062 19151 8219 1 11 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.815 0.245 19151 8220 1 11 . 1 1 98 98 VAL C C 98 175.969 175.969 176.647 -0.678 19151 8221 1 11 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.117 -2.277 19151 8222 1 11 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.724 0.876 19151 8223 1 11 . 1 1 98 98 VAL H H 98 7.970 7.970 8.629 -0.659 19151 8224 1 11 . 1 1 99 99 ASN N N 99 118.156 118.156 117.470 0.686 19151 8225 1 11 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.795 -0.284 19151 8226 1 11 . 1 1 99 99 ASN C C 99 174.329 174.329 175.872 -1.543 19151 8227 1 11 . 1 1 99 99 ASN CA C 99 53.031 53.031 52.787 0.244 19151 8228 1 11 . 1 1 99 99 ASN CB C 99 37.238 37.238 38.224 -0.986 19151 8229 1 11 . 1 1 99 99 ASN H H 99 8.296 8.296 8.226 0.070 19151 8230 1 11 . 1 1 100 100 PHE N N 100 118.649 118.649 120.361 -1.712 19151 8231 1 11 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.043 0.372 19151 8232 1 11 . 1 1 100 100 PHE C C 100 174.400 174.400 175.375 -0.975 19151 8233 1 11 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.543 -3.353 19151 8234 1 11 . 1 1 100 100 PHE CB C 100 39.679 39.679 38.215 1.464 19151 8235 1 11 . 1 1 100 100 PHE H H 100 7.855 7.855 8.078 -0.223 19151 8236 1 11 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.275 -0.690 19151 8237 1 11 . 1 1 101 101 CYS CA C 101 62.740 62.740 55.778 6.962 19151 8238 1 11 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.700 -1.700 19151 8239 1 11 . 1 1 101 101 CYS H H 101 9.240 9.240 7.893 1.347 19151 8240 1 11 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.392 -0.172 19151 8241 1 11 . 1 1 102 102 ASN CA C 102 57.200 57.200 57.370 -0.170 19151 8242 1 11 . 1 1 102 102 ASN CB C 102 38.600 38.600 37.529 1.071 19151 8243 1 11 . 1 1 102 102 ASN H H 102 8.300 8.300 8.864 -0.564 19151 8244 1 11 . 1 1 103 103 GLY C C 103 175.690 175.690 175.892 -0.202 19151 8245 1 11 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.217 0.133 19151 8246 1 11 . 1 1 104 104 GLY N N 104 106.150 106.150 108.940 -2.790 19151 8247 1 11 . 1 1 104 104 GLY C C 104 174.570 174.570 176.104 -1.534 19151 8248 1 11 . 1 1 104 104 GLY CA C 104 47.350 47.350 45.924 1.426 19151 8249 1 11 . 1 1 104 104 GLY H H 104 7.108 7.108 7.676 -0.568 19151 8250 1 11 . 1 1 105 105 LYS N N 105 120.732 120.732 122.142 -1.410 19151 8251 1 11 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.941 -0.004 19151 8252 1 11 . 1 1 105 105 LYS C C 105 179.706 179.706 179.063 0.643 19151 8253 1 11 . 1 1 105 105 LYS CA C 105 60.308 60.308 60.009 0.299 19151 8254 1 11 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.127 -0.330 19151 8255 1 11 . 1 1 105 105 LYS H H 105 7.708 7.708 7.406 0.302 19151 8256 1 11 . 1 1 106 106 GLN N N 106 119.087 119.087 117.599 1.488 19151 8257 1 11 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.190 -0.048 19151 8258 1 11 . 1 1 106 106 GLN C C 106 179.418 179.418 178.521 0.897 19151 8259 1 11 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.588 0.287 19151 8260 1 11 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.389 0.370 19151 8261 1 11 . 1 1 106 106 GLN H H 106 8.738 8.738 8.663 0.075 19151 8262 1 11 . 1 1 107 107 PHE N N 107 123.088 123.088 119.575 3.513 19151 8263 1 11 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.311 -0.061 19151 8264 1 11 . 1 1 107 107 PHE C C 107 178.403 178.403 177.841 0.562 19151 8265 1 11 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.894 0.291 19151 8266 1 11 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.956 0.495 19151 8267 1 11 . 1 1 107 107 PHE H H 107 7.922 7.922 7.734 0.188 19151 8268 1 11 . 1 1 108 108 ASP N N 108 117.118 117.118 120.253 -3.135 19151 8269 1 11 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.642 -0.268 19151 8270 1 11 . 1 1 108 108 ASP C C 108 176.973 176.973 178.252 -1.279 19151 8271 1 11 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.585 0.844 19151 8272 1 11 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.196 2.927 19151 8273 1 11 . 1 1 108 108 ASP H H 108 8.305 8.305 8.325 -0.020 19151 8274 1 11 . 1 1 109 109 ALA N N 109 118.590 118.590 122.702 -4.112 19151 8275 1 11 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.103 -0.053 19151 8276 1 11 . 1 1 109 109 ALA C C 109 180.430 180.430 179.649 0.781 19151 8277 1 11 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.086 0.110 19151 8278 1 11 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.368 -0.261 19151 8279 1 11 . 1 1 109 109 ALA H H 109 8.332 8.332 8.153 0.179 19151 8280 1 11 . 1 1 110 110 LEU N N 110 120.402 120.402 120.293 0.109 19151 8281 1 11 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.853 0.232 19151 8282 1 11 . 1 1 110 110 LEU C C 110 177.801 177.801 179.091 -1.290 19151 8283 1 11 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.551 0.089 19151 8284 1 11 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.870 0.886 19151 8285 1 11 . 1 1 110 110 LEU H H 110 7.868 7.868 7.728 0.140 19151 8286 1 11 . 1 1 111 111 LEU N N 111 116.945 116.945 117.252 -0.307 19151 8287 1 11 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.812 -0.094 19151 8288 1 11 . 1 1 111 111 LEU C C 111 179.838 179.838 179.443 0.395 19151 8289 1 11 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.871 0.094 19151 8290 1 11 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.359 -2.499 19151 8291 1 11 . 1 1 111 111 LEU H H 111 7.704 7.704 7.458 0.246 19151 8292 1 11 . 1 1 112 112 GLN N N 112 118.484 118.484 117.299 1.185 19151 8293 1 11 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.097 0.044 19151 8294 1 11 . 1 1 112 112 GLN C C 112 181.218 181.218 178.787 2.431 19151 8295 1 11 . 1 1 112 112 GLN CA C 112 58.966 58.966 58.059 0.907 19151 8296 1 11 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.018 1.242 19151 8297 1 11 . 1 1 112 112 GLN H H 112 8.441 8.441 7.693 0.748 19151 8298 1 11 . 1 1 113 113 GLU N N 113 122.905 122.905 119.131 3.774 19151 8299 1 11 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.061 0.120 19151 8300 1 11 . 1 1 113 113 GLU C C 113 178.001 178.001 177.939 0.062 19151 8301 1 11 . 1 1 113 113 GLU CA C 113 58.985 58.985 58.457 0.528 19151 8302 1 11 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.364 -0.094 19151 8303 1 11 . 1 1 113 113 GLU H H 113 8.305 8.305 8.168 0.137 19151 8304 1 11 . 1 1 114 114 GLN N N 114 117.332 117.332 117.977 -0.645 19151 8305 1 11 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.232 0.363 19151 8306 1 11 . 1 1 114 114 GLN C C 114 174.538 174.538 177.298 -2.760 19151 8307 1 11 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.574 -1.157 19151 8308 1 11 . 1 1 114 114 GLN CB C 114 25.830 25.830 29.978 -4.148 19151 8309 1 11 . 1 1 114 114 GLN H H 114 7.520 7.520 7.484 0.036 19151 8310 1 11 . 1 1 115 115 SER N N 115 109.100 109.100 109.953 -0.853 19151 8311 1 11 . 1 1 115 115 SER HA H 115 4.200 4.200 4.432 -0.232 19151 8312 1 11 . 1 1 115 115 SER C C 115 172.302 172.302 173.005 -0.703 19151 8313 1 11 . 1 1 115 115 SER CA C 115 60.400 60.400 58.483 1.917 19151 8314 1 11 . 1 1 115 115 SER CB C 115 61.325 61.325 64.499 -3.174 19151 8315 1 11 . 1 1 115 115 SER H H 115 7.950 7.950 8.139 -0.189 19151 8316 1 11 . 1 1 116 116 ALA N N 116 121.059 121.059 125.760 -4.701 19151 8317 1 11 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.270 0.524 19151 8318 1 11 . 1 1 116 116 ALA C C 116 176.774 176.774 176.724 0.050 19151 8319 1 11 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.544 -0.854 19151 8320 1 11 . 1 1 116 116 ALA CB C 116 21.365 21.365 19.926 1.439 19151 8321 1 11 . 1 1 116 116 ALA H H 116 7.813 7.813 7.934 -0.121 19151 8322 1 11 . 1 1 117 117 GLN N N 117 118.000 118.000 120.274 -2.274 19151 8323 1 11 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.456 0.162 19151 8324 1 11 . 1 1 117 117 GLN C C 117 173.769 173.769 176.168 -2.399 19151 8325 1 11 . 1 1 117 117 GLN CA C 117 54.556 54.556 55.840 -1.284 19151 8326 1 11 . 1 1 117 117 GLN CB C 117 30.735 30.735 30.047 0.688 19151 8327 1 11 . 1 1 117 117 GLN H H 117 8.591 8.591 8.670 -0.079 19151 8328 1 11 . 1 1 118 118 ARG N N 118 127.947 127.947 119.780 8.167 19151 8329 1 11 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.180 -1.872 19151 8330 1 11 . 1 1 118 118 ARG C C 118 176.758 176.758 175.805 0.953 19151 8331 1 11 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.741 1.445 19151 8332 1 11 . 1 1 118 118 ARG CB C 118 30.310 30.310 32.743 -2.433 19151 8333 1 11 . 1 1 118 118 ARG H H 118 8.659 8.659 8.483 0.176 19151 8334 1 11 . 1 1 119 119 VAL N N 119 131.939 131.939 121.438 10.501 19151 8335 1 11 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.313 -0.200 19151 8336 1 11 . 1 1 119 119 VAL C C 119 176.775 176.775 176.184 0.591 19151 8337 1 11 . 1 1 119 119 VAL CA C 119 62.174 62.174 60.802 1.372 19151 8338 1 11 . 1 1 119 119 VAL CB C 119 32.394 32.394 34.220 -1.826 19151 8339 1 11 . 1 1 119 119 VAL H H 119 9.520 9.520 8.721 0.799 19151 8340 1 11 . 1 1 120 120 GLY N N 120 116.074 116.074 116.311 -0.237 19151 8341 1 11 . 1 1 120 120 GLY C C 120 172.757 172.757 173.601 -0.844 19151 8342 1 11 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.642 -1.744 19151 8343 1 11 . 1 1 120 120 GLY H H 120 8.755 8.755 8.487 0.268 19151 8344 1 11 . 1 1 121 121 GLU N N 121 118.754 118.754 119.984 -1.230 19151 8345 1 11 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.824 -0.158 19151 8346 1 11 . 1 1 121 121 GLU C C 121 177.419 177.419 176.163 1.256 19151 8347 1 11 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.736 -0.245 19151 8348 1 11 . 1 1 121 121 GLU CB C 121 31.498 31.498 33.015 -1.517 19151 8349 1 11 . 1 1 121 121 GLU H H 121 8.594 8.594 8.658 -0.064 19151 8350 1 11 . 1 1 122 122 MET N N 122 122.642 122.642 121.659 0.983 19151 8351 1 11 . 1 1 122 122 MET HA H 122 4.415 4.415 4.969 -0.554 19151 8352 1 11 . 1 1 122 122 MET C C 122 175.351 175.351 174.875 0.476 19151 8353 1 11 . 1 1 122 122 MET CA C 122 57.024 57.024 54.975 2.049 19151 8354 1 11 . 1 1 122 122 MET CB C 122 34.210 34.210 33.141 1.069 19151 8355 1 11 . 1 1 122 122 MET H H 122 8.892 8.892 8.565 0.327 19151 8356 1 11 . 1 1 123 123 LEU N N 123 129.535 129.535 122.323 7.212 19151 8357 1 11 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.431 -0.081 19151 8358 1 11 . 1 1 123 123 LEU C C 123 173.124 173.124 174.469 -1.345 19151 8359 1 11 . 1 1 123 123 LEU CA C 123 53.739 53.739 52.955 0.784 19151 8360 1 11 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.839 -1.761 19151 8361 1 11 . 1 1 123 123 LEU H H 123 7.868 7.868 7.635 0.233 19151 8362 1 11 . 1 1 124 124 LEU N N 124 127.120 127.120 125.912 1.208 19151 8363 1 11 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.728 0.327 19151 8364 1 11 . 1 1 124 124 LEU C C 124 176.379 176.379 176.255 0.124 19151 8365 1 11 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.203 0.347 19151 8366 1 11 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.418 -1.040 19151 8367 1 11 . 1 1 124 124 LEU H H 124 8.346 8.346 8.252 0.094 19151 8368 1 11 . 1 1 125 125 ILE N N 125 124.337 124.337 125.087 -0.750 19151 8369 1 11 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.125 0.055 19151 8370 1 11 . 1 1 125 125 ILE C C 125 174.303 174.303 174.667 -0.364 19151 8371 1 11 . 1 1 125 125 ILE CA C 125 61.100 61.100 61.697 -0.597 19151 8372 1 11 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.050 -0.107 19151 8373 1 11 . 1 1 125 125 ILE H H 125 8.974 8.974 8.694 0.280 19151 8374 1 11 . 1 1 126 126 ASP N N 126 127.113 127.113 128.630 -1.517 19151 8375 1 11 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.533 -0.418 19151 8376 1 11 . 1 1 126 126 ASP C C 126 176.766 176.766 176.342 0.424 19151 8377 1 11 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.188 -0.341 19151 8378 1 11 . 1 1 126 126 ASP CB C 126 41.100 41.100 42.316 -1.216 19151 8379 1 11 . 1 1 126 126 ASP H H 126 9.397 9.397 8.957 0.440 19151 8380 1 11 . 1 1 127 127 ALA N N 127 131.178 131.178 131.577 -0.399 19151 8381 1 11 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.565 -0.249 19151 8382 1 11 . 1 1 127 127 ALA C C 127 178.530 178.530 178.908 -0.378 19151 8383 1 11 . 1 1 127 127 ALA CA C 127 53.847 53.847 53.969 -0.122 19151 8384 1 11 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.090 -0.298 19151 8385 1 11 . 1 1 127 127 ALA H H 127 9.696 9.696 9.218 0.478 19151 8386 1 11 . 1 1 128 128 SER N N 128 112.064 112.064 113.035 -0.971 19151 8387 1 11 . 1 1 128 128 SER HA H 128 4.224 4.224 4.189 0.035 19151 8388 1 11 . 1 1 128 128 SER C C 128 175.000 175.000 175.496 -0.496 19151 8389 1 11 . 1 1 128 128 SER CA C 128 61.246 61.246 60.581 0.665 19151 8390 1 11 . 1 1 128 128 SER CB C 128 63.310 63.310 63.412 -0.102 19151 8391 1 11 . 1 1 128 128 SER H H 128 8.373 8.373 8.311 0.062 19151 8392 1 11 . 1 1 129 129 GLU N N 129 119.468 119.468 118.363 1.105 19151 8393 1 11 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.430 -0.030 19151 8394 1 11 . 1 1 129 129 GLU C C 129 175.947 175.947 175.924 0.023 19151 8395 1 11 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.824 -0.409 19151 8396 1 11 . 1 1 129 129 GLU CB C 129 31.730 31.730 32.063 -0.333 19151 8397 1 11 . 1 1 129 129 GLU H H 129 7.267 7.267 7.539 -0.272 19151 8398 1 11 . 1 1 130 130 ASN N N 130 115.968 115.968 118.450 -2.482 19151 8399 1 11 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.105 0.061 19151 8400 1 11 . 1 1 130 130 ASN C C 130 172.000 172.000 174.082 -2.082 19151 8401 1 11 . 1 1 130 130 ASN CA C 130 50.223 50.223 51.077 -0.854 19151 8402 1 11 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.957 -0.291 19151 8403 1 11 . 1 1 130 130 ASN H H 130 8.072 8.072 8.241 -0.169 19151 8404 1 11 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.462 0.088 19151 8405 1 11 . 1 1 131 131 PRO C C 131 176.400 176.400 176.059 0.341 19151 8406 1 11 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.865 -0.365 19151 8407 1 11 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.784 0.516 19151 8408 1 11 . 1 1 132 132 GLU N N 132 119.000 119.000 119.316 -0.316 19151 8409 1 11 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.750 0.270 19151 8410 1 11 . 1 1 132 132 GLU C C 132 174.200 174.200 175.327 -1.127 19151 8411 1 11 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.429 -0.430 19151 8412 1 11 . 1 1 132 132 GLU CB C 132 29.700 29.700 28.961 0.739 19151 8413 1 11 . 1 1 132 132 GLU H H 132 7.690 7.690 8.305 -0.615 19151 8414 1 11 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.243 -0.243 19151 8415 1 11 . 1 1 133 133 PRO C C 133 177.391 177.391 178.140 -0.749 19151 8416 1 11 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.026 0.443 19151 8417 1 11 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.886 0.259 19151 8418 1 11 . 1 1 134 134 GLU N N 134 122.846 122.846 118.301 4.545 19151 8419 1 11 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.244 0.976 19151 8420 1 11 . 1 1 134 134 GLU C C 134 178.385 178.385 178.876 -0.491 19151 8421 1 11 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.154 -1.562 19151 8422 1 11 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.785 -2.195 19151 8423 1 11 . 1 1 134 134 GLU H H 134 10.707 10.707 8.886 1.821 19151 8424 1 11 . 1 1 135 135 THR N N 135 113.016 113.016 111.581 1.435 19151 8425 1 11 . 1 1 135 135 THR HA H 135 4.182 4.182 4.158 0.024 19151 8426 1 11 . 1 1 135 135 THR C C 135 176.460 176.460 175.764 0.696 19151 8427 1 11 . 1 1 135 135 THR CA C 135 64.752 64.752 64.936 -0.184 19151 8428 1 11 . 1 1 135 135 THR CB C 135 69.248 69.248 68.853 0.395 19151 8429 1 11 . 1 1 135 135 THR H H 135 8.168 8.168 8.308 -0.140 19151 8430 1 11 . 1 1 136 136 GLU N N 136 118.978 118.978 121.833 -2.855 19151 8431 1 11 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.366 0.198 19151 8432 1 11 . 1 1 136 136 GLU C C 136 178.370 178.370 178.527 -0.157 19151 8433 1 11 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.537 -1.624 19151 8434 1 11 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.115 1.985 19151 8435 1 11 . 1 1 136 136 GLU H H 136 7.680 7.680 7.922 -0.242 19151 8436 1 11 . 1 1 137 137 SER N N 137 116.501 116.501 115.369 1.132 19151 8437 1 11 . 1 1 137 137 SER HA H 137 4.033 4.033 4.269 -0.236 19151 8438 1 11 . 1 1 137 137 SER C C 137 175.670 175.670 176.616 -0.946 19151 8439 1 11 . 1 1 137 137 SER CA C 137 62.330 62.330 61.640 0.690 19151 8440 1 11 . 1 1 137 137 SER CB C 137 61.380 61.380 63.269 -1.889 19151 8441 1 11 . 1 1 137 137 SER H H 137 8.824 8.824 8.061 0.763 19151 8442 1 11 . 1 1 138 138 ASN N N 138 123.517 123.517 121.709 1.808 19151 8443 1 11 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.683 -0.092 19151 8444 1 11 . 1 1 138 138 ASN C C 138 175.700 175.700 175.132 0.568 19151 8445 1 11 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.264 0.222 19151 8446 1 11 . 1 1 138 138 ASN CB C 138 34.253 34.253 36.791 -2.538 19151 8447 1 11 . 1 1 138 138 ASN H H 138 8.564 8.564 8.625 -0.061 19151 8448 1 11 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.378 0.077 19151 8449 1 11 . 1 1 139 139 PRO C C 139 180.033 180.033 178.839 1.194 19151 8450 1 11 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.247 0.363 19151 8451 1 11 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.320 -0.784 19151 8452 1 11 . 1 1 140 140 TRP N N 140 119.700 119.700 122.063 -2.363 19151 8453 1 11 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.472 -0.139 19151 8454 1 11 . 1 1 140 140 TRP C C 140 179.195 179.195 178.021 1.174 19151 8455 1 11 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.830 0.350 19151 8456 1 11 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.549 1.202 19151 8457 1 11 . 1 1 140 140 TRP H H 140 7.057 7.057 7.494 -0.437 19151 8458 1 11 . 1 1 141 141 VAL N N 141 122.879 122.879 118.995 3.884 19151 8459 1 11 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.613 0.123 19151 8460 1 11 . 1 1 141 141 VAL C C 141 177.416 177.416 178.512 -1.096 19151 8461 1 11 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.194 -0.478 19151 8462 1 11 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.741 -0.308 19151 8463 1 11 . 1 1 141 141 VAL H H 141 9.629 9.629 8.903 0.726 19151 8464 1 11 . 1 1 142 142 GLU N N 142 119.965 119.965 120.206 -0.241 19151 8465 1 11 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.933 -0.201 19151 8466 1 11 . 1 1 142 142 GLU C C 142 178.800 178.800 178.250 0.550 19151 8467 1 11 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.865 -0.533 19151 8468 1 11 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.820 -0.260 19151 8469 1 11 . 1 1 142 142 GLU H H 142 8.551 8.551 8.326 0.225 19151 8470 1 11 . 1 1 143 143 HIS N N 143 115.364 115.364 119.613 -4.249 19151 8471 1 11 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.223 0.067 19151 8472 1 11 . 1 1 143 143 HIS C C 143 177.840 177.840 176.842 0.998 19151 8473 1 11 . 1 1 143 143 HIS CA C 143 59.363 59.363 59.625 -0.262 19151 8474 1 11 . 1 1 143 143 HIS CB C 143 29.362 29.362 29.880 -0.518 19151 8475 1 11 . 1 1 143 143 HIS H H 143 7.380 7.380 8.016 -0.636 19151 8476 1 11 . 1 1 144 144 TRP N N 144 126.680 126.680 121.207 5.473 19151 8477 1 11 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.837 -0.503 19151 8478 1 11 . 1 1 144 144 TRP C C 144 178.200 178.200 178.432 -0.232 19151 8479 1 11 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.878 2.082 19151 8480 1 11 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.334 0.192 19151 8481 1 11 . 1 1 144 144 TRP H H 144 9.215 9.215 8.660 0.555 19151 8482 1 11 . 1 1 145 145 GLY N N 145 100.130 100.130 105.297 -5.167 19151 8483 1 11 . 1 1 145 145 GLY C C 145 177.391 177.391 175.426 1.965 19151 8484 1 11 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.057 -0.297 19151 8485 1 11 . 1 1 145 145 GLY H H 145 8.834 8.834 8.490 0.344 19151 8486 1 11 . 1 1 146 146 THR N N 146 110.831 110.831 112.949 -2.118 19151 8487 1 11 . 1 1 146 146 THR HA H 146 4.319 4.319 4.041 0.278 19151 8488 1 11 . 1 1 146 146 THR C C 146 175.574 175.574 175.606 -0.032 19151 8489 1 11 . 1 1 146 146 THR CA C 146 63.260 63.260 63.783 -0.523 19151 8490 1 11 . 1 1 146 146 THR CB C 146 69.660 69.660 68.555 1.105 19151 8491 1 11 . 1 1 146 146 THR H H 146 7.594 7.594 7.445 0.149 19151 8492 1 11 . 1 1 147 147 LEU N N 147 120.678 120.678 120.267 0.411 19151 8493 1 11 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.071 -0.013 19151 8494 1 11 . 1 1 147 147 LEU C C 147 177.176 177.176 176.358 0.818 19151 8495 1 11 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.505 -1.191 19151 8496 1 11 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.571 -0.343 19151 8497 1 11 . 1 1 147 147 LEU H H 147 7.458 7.458 7.432 0.026 19151 8498 1 11 . 1 1 148 148 LEU N N 148 117.062 117.062 117.815 -0.753 19151 8499 1 11 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.901 -0.183 19151 8500 1 11 . 1 1 148 148 LEU C C 148 175.570 175.570 176.751 -1.181 19151 8501 1 11 . 1 1 148 148 LEU CA C 148 53.951 53.951 53.769 0.182 19151 8502 1 11 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.163 -1.562 19151 8503 1 11 . 1 1 148 148 LEU H H 148 6.482 6.482 6.774 -0.292 19151 8504 1 12 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.658 -0.429 19151 8505 1 12 . 1 1 2 2 ALA C C 2 173.315 173.315 174.546 -1.231 19151 8506 1 12 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.774 -0.194 19151 8507 1 12 . 1 1 2 2 ALA CB C 2 20.223 20.223 22.403 -2.180 19151 8508 1 12 . 1 1 3 3 GLU N N 3 121.874 121.874 119.604 2.270 19151 8509 1 12 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.443 -0.169 19151 8510 1 12 . 1 1 3 3 GLU C C 3 174.545 174.545 175.190 -0.645 19151 8511 1 12 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.437 0.413 19151 8512 1 12 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.232 -0.512 19151 8513 1 12 . 1 1 3 3 GLU H H 3 8.696 8.696 8.447 0.249 19151 8514 1 12 . 1 1 4 4 ILE N N 4 120.672 120.672 125.315 -4.643 19151 8515 1 12 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.771 0.338 19151 8516 1 12 . 1 1 4 4 ILE C C 4 175.463 175.463 174.909 0.554 19151 8517 1 12 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.086 -0.253 19151 8518 1 12 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.426 3.244 19151 8519 1 12 . 1 1 4 4 ILE H H 4 8.860 8.860 9.278 -0.418 19151 8520 1 12 . 1 1 5 5 GLY N N 5 119.310 119.310 114.574 4.736 19151 8521 1 12 . 1 1 5 5 GLY C C 5 171.260 171.260 172.903 -1.643 19151 8522 1 12 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.450 0.370 19151 8523 1 12 . 1 1 5 5 GLY H H 5 8.469 8.469 8.181 0.288 19151 8524 1 12 . 1 1 6 6 ILE N N 6 126.915 126.915 125.979 0.936 19151 8525 1 12 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.077 0.113 19151 8526 1 12 . 1 1 6 6 ILE C C 6 173.901 173.901 174.444 -0.543 19151 8527 1 12 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.632 -0.632 19151 8528 1 12 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.751 -1.751 19151 8529 1 12 . 1 1 6 6 ILE H H 6 9.056 9.056 9.167 -0.111 19151 8530 1 12 . 1 1 7 7 PHE N N 7 127.354 127.354 127.587 -0.233 19151 8531 1 12 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.273 -0.761 19151 8532 1 12 . 1 1 7 7 PHE C C 7 174.230 174.230 174.550 -0.320 19151 8533 1 12 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.452 1.958 19151 8534 1 12 . 1 1 7 7 PHE CB C 7 41.728 41.728 41.017 0.711 19151 8535 1 12 . 1 1 7 7 PHE H H 7 8.960 8.960 9.635 -0.675 19151 8536 1 12 . 1 1 8 8 VAL N N 8 127.270 127.270 124.964 2.306 19151 8537 1 12 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.277 -0.217 19151 8538 1 12 . 1 1 8 8 VAL C C 8 175.450 175.450 174.407 1.043 19151 8539 1 12 . 1 1 8 8 VAL CA C 8 61.200 61.200 59.526 1.674 19151 8540 1 12 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.501 -0.064 19151 8541 1 12 . 1 1 8 8 VAL H H 8 8.581 8.581 8.050 0.531 19151 8542 1 12 . 1 1 9 9 GLY N N 9 115.000 115.000 116.136 -1.136 19151 8543 1 12 . 1 1 9 9 GLY C C 9 173.150 173.150 172.403 0.747 19151 8544 1 12 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.334 0.666 19151 8545 1 12 . 1 1 9 9 GLY H H 9 9.393 9.393 9.118 0.275 19151 8546 1 12 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.822 -0.127 19151 8547 1 12 . 1 1 12 12 TYR C C 12 176.560 176.560 175.502 1.058 19151 8548 1 12 . 1 1 12 12 TYR CA C 12 57.750 57.750 57.097 0.652 19151 8549 1 12 . 1 1 12 12 TYR CB C 12 38.000 38.000 40.743 -2.743 19151 8550 1 12 . 1 1 13 13 GLY N N 13 109.870 109.870 112.725 -2.855 19151 8551 1 12 . 1 1 13 13 GLY C C 13 175.930 175.930 173.399 2.531 19151 8552 1 12 . 1 1 13 13 GLY CA C 13 46.000 46.000 45.005 0.995 19151 8553 1 12 . 1 1 13 13 GLY H H 13 8.500 8.500 7.360 1.140 19151 8554 1 12 . 1 1 17 17 LEU HA H 17 4.230 4.230 3.869 0.361 19151 8555 1 12 . 1 1 17 17 LEU C C 17 179.210 179.210 178.275 0.935 19151 8556 1 12 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.648 0.752 19151 8557 1 12 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.790 -0.490 19151 8558 1 12 . 1 1 18 18 VAL N N 18 117.231 117.231 117.478 -0.247 19151 8559 1 12 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.535 -0.212 19151 8560 1 12 . 1 1 18 18 VAL C C 18 178.460 178.460 177.712 0.748 19151 8561 1 12 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.052 0.814 19151 8562 1 12 . 1 1 18 18 VAL CB C 18 31.460 31.460 31.142 0.318 19151 8563 1 12 . 1 1 18 18 VAL H H 18 7.645 7.645 7.880 -0.235 19151 8564 1 12 . 1 1 19 19 ALA N N 19 121.820 121.820 121.557 0.263 19151 8565 1 12 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.952 -0.136 19151 8566 1 12 . 1 1 19 19 ALA C C 19 178.180 178.180 178.946 -0.766 19151 8567 1 12 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.633 -0.056 19151 8568 1 12 . 1 1 19 19 ALA CB C 19 20.000 20.000 17.950 2.050 19151 8569 1 12 . 1 1 19 19 ALA H H 19 8.010 8.010 7.993 0.017 19151 8570 1 12 . 1 1 20 20 GLU N N 20 118.960 118.960 118.807 0.153 19151 8571 1 12 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.033 -0.017 19151 8572 1 12 . 1 1 20 20 GLU C C 20 180.950 180.950 178.918 2.032 19151 8573 1 12 . 1 1 20 20 GLU CA C 20 59.666 59.666 58.786 0.880 19151 8574 1 12 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.283 0.017 19151 8575 1 12 . 1 1 20 20 GLU H H 20 8.700 8.700 7.901 0.799 19151 8576 1 12 . 1 1 21 21 GLU N N 21 121.371 121.371 120.442 0.929 19151 8577 1 12 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.037 0.007 19151 8578 1 12 . 1 1 21 21 GLU C C 21 179.419 179.419 178.874 0.545 19151 8579 1 12 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.327 -0.017 19151 8580 1 12 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.401 0.160 19151 8581 1 12 . 1 1 21 21 GLU H H 21 8.632 8.632 8.246 0.386 19151 8582 1 12 . 1 1 22 22 ALA N N 22 121.329 121.329 122.427 -1.098 19151 8583 1 12 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.060 -0.002 19151 8584 1 12 . 1 1 22 22 ALA C C 22 178.823 178.823 179.407 -0.584 19151 8585 1 12 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.680 -1.003 19151 8586 1 12 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.131 -0.488 19151 8587 1 12 . 1 1 22 22 ALA H H 22 8.182 8.182 8.432 -0.250 19151 8588 1 12 . 1 1 23 23 GLU N N 23 119.035 119.035 119.508 -0.473 19151 8589 1 12 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.015 -0.611 19151 8590 1 12 . 1 1 23 23 GLU C C 23 178.375 178.375 178.598 -0.223 19151 8591 1 12 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.792 0.516 19151 8592 1 12 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.504 -0.574 19151 8593 1 12 . 1 1 23 23 GLU H H 23 8.387 8.387 8.305 0.082 19151 8594 1 12 . 1 1 24 24 ALA N N 24 122.207 122.207 121.987 0.220 19151 8595 1 12 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.112 -0.082 19151 8596 1 12 . 1 1 24 24 ALA C C 24 181.132 181.132 179.950 1.182 19151 8597 1 12 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.061 0.426 19151 8598 1 12 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.600 -0.600 19151 8599 1 12 . 1 1 24 24 ALA H H 24 7.535 7.535 7.852 -0.317 19151 8600 1 12 . 1 1 25 25 ILE N N 25 121.059 121.059 120.071 0.988 19151 8601 1 12 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.743 -0.079 19151 8602 1 12 . 1 1 25 25 ILE C C 25 178.419 178.419 177.939 0.480 19151 8603 1 12 . 1 1 25 25 ILE CA C 25 65.108 65.108 65.871 -0.763 19151 8604 1 12 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.130 0.833 19151 8605 1 12 . 1 1 25 25 ILE H H 25 7.800 7.800 8.506 -0.706 19151 8606 1 12 . 1 1 26 26 LEU N N 26 119.307 119.307 120.893 -1.586 19151 8607 1 12 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.156 0.020 19151 8608 1 12 . 1 1 26 26 LEU C C 26 179.863 179.863 179.708 0.155 19151 8609 1 12 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.508 -0.562 19151 8610 1 12 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.285 -0.145 19151 8611 1 12 . 1 1 26 26 LEU H H 26 8.509 8.509 8.623 -0.114 19151 8612 1 12 . 1 1 27 27 THR N N 27 117.830 117.830 115.920 1.910 19151 8613 1 12 . 1 1 27 27 THR HA H 27 4.524 4.524 4.241 0.283 19151 8614 1 12 . 1 1 27 27 THR C C 27 179.027 179.027 176.373 2.654 19151 8615 1 12 . 1 1 27 27 THR CA C 27 66.000 66.000 66.543 -0.543 19151 8616 1 12 . 1 1 27 27 THR CB C 27 68.600 68.600 68.879 -0.279 19151 8617 1 12 . 1 1 27 27 THR H H 27 8.796 8.796 8.409 0.387 19151 8618 1 12 . 1 1 28 28 ALA N N 28 126.313 126.313 122.374 3.939 19151 8619 1 12 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.137 0.068 19151 8620 1 12 . 1 1 28 28 ALA C C 28 179.360 179.360 179.650 -0.290 19151 8621 1 12 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.467 0.533 19151 8622 1 12 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.350 -0.700 19151 8623 1 12 . 1 1 28 28 ALA H H 28 7.832 7.832 7.961 -0.129 19151 8624 1 12 . 1 1 29 29 GLN N N 29 115.527 115.527 115.987 -0.460 19151 8625 1 12 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.202 -0.075 19151 8626 1 12 . 1 1 29 29 GLN C C 29 176.547 176.547 177.055 -0.508 19151 8627 1 12 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.531 0.033 19151 8628 1 12 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.639 -0.229 19151 8629 1 12 . 1 1 29 29 GLN H H 29 7.353 7.353 8.359 -1.006 19151 8630 1 12 . 1 1 30 30 GLY N N 30 105.961 105.961 107.487 -1.526 19151 8631 1 12 . 1 1 30 30 GLY C C 30 174.785 174.785 172.929 1.856 19151 8632 1 12 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.613 -0.113 19151 8633 1 12 . 1 1 30 30 GLY H H 30 7.923 7.923 7.779 0.144 19151 8634 1 12 . 1 1 31 31 HIS N N 31 119.471 119.471 117.422 2.049 19151 8635 1 12 . 1 1 31 31 HIS HA H 31 4.835 4.835 5.082 -0.247 19151 8636 1 12 . 1 1 31 31 HIS C C 31 174.665 174.665 173.901 0.764 19151 8637 1 12 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.153 1.689 19151 8638 1 12 . 1 1 31 31 HIS CB C 31 32.000 32.000 32.581 -0.581 19151 8639 1 12 . 1 1 31 31 HIS H H 31 7.558 7.558 8.182 -0.624 19151 8640 1 12 . 1 1 32 32 LYS N N 32 121.854 121.854 122.750 -0.896 19151 8641 1 12 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.399 0.324 19151 8642 1 12 . 1 1 32 32 LYS C C 32 174.466 174.466 174.703 -0.237 19151 8643 1 12 . 1 1 32 32 LYS CA C 32 54.865 54.865 55.274 -0.409 19151 8644 1 12 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.028 0.932 19151 8645 1 12 . 1 1 32 32 LYS H H 32 8.665 8.665 8.754 -0.089 19151 8646 1 12 . 1 1 33 33 ALA N N 33 130.188 130.188 128.938 1.250 19151 8647 1 12 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.697 0.121 19151 8648 1 12 . 1 1 33 33 ALA C C 33 175.567 175.567 176.458 -0.891 19151 8649 1 12 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.756 -0.780 19151 8650 1 12 . 1 1 33 33 ALA CB C 33 22.297 22.297 22.218 0.079 19151 8651 1 12 . 1 1 33 33 ALA H H 33 8.837 8.837 8.040 0.797 19151 8652 1 12 . 1 1 34 34 THR N N 34 117.164 117.164 117.221 -0.057 19151 8653 1 12 . 1 1 34 34 THR HA H 34 4.359 4.359 4.523 -0.164 19151 8654 1 12 . 1 1 34 34 THR C C 34 171.315 171.315 172.603 -1.288 19151 8655 1 12 . 1 1 34 34 THR CA C 34 61.840 61.840 61.007 0.833 19151 8656 1 12 . 1 1 34 34 THR CB C 34 71.800 71.800 72.013 -0.213 19151 8657 1 12 . 1 1 34 34 THR H H 34 7.826 7.826 8.621 -0.795 19151 8658 1 12 . 1 1 35 35 VAL N N 35 126.650 126.650 122.966 3.684 19151 8659 1 12 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.369 -0.186 19151 8660 1 12 . 1 1 35 35 VAL C C 35 174.675 174.675 175.142 -0.467 19151 8661 1 12 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.867 0.061 19151 8662 1 12 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.569 0.081 19151 8663 1 12 . 1 1 35 35 VAL H H 35 8.496 8.496 8.351 0.145 19151 8664 1 12 . 1 1 36 36 PHE N N 36 127.630 127.630 127.196 0.434 19151 8665 1 12 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.700 -0.149 19151 8666 1 12 . 1 1 36 36 PHE C C 36 174.347 174.347 174.499 -0.152 19151 8667 1 12 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.409 1.073 19151 8668 1 12 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.473 -0.308 19151 8669 1 12 . 1 1 36 36 PHE H H 36 9.164 9.164 9.177 -0.013 19151 8670 1 12 . 1 1 37 37 GLU N N 37 123.516 123.516 123.993 -0.477 19151 8671 1 12 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.384 0.086 19151 8672 1 12 . 1 1 37 37 GLU C C 37 175.954 175.954 176.295 -0.341 19151 8673 1 12 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.176 -0.457 19151 8674 1 12 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.701 0.759 19151 8675 1 12 . 1 1 37 37 GLU H H 37 8.455 8.455 8.710 -0.255 19151 8676 1 12 . 1 1 38 38 ASP N N 38 120.395 120.395 122.645 -2.250 19151 8677 1 12 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.378 0.455 19151 8678 1 12 . 1 1 38 38 ASP C C 38 173.920 173.920 174.391 -0.471 19151 8679 1 12 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.152 0.325 19151 8680 1 12 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.432 0.172 19151 8681 1 12 . 1 1 38 38 ASP H H 38 9.602 9.602 8.745 0.857 19151 8682 1 12 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.482 0.198 19151 8683 1 12 . 1 1 39 39 PRO C C 39 176.274 176.274 176.267 0.007 19151 8684 1 12 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.348 -0.364 19151 8685 1 12 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.003 1.397 19151 8686 1 12 . 1 1 40 40 GLU N N 40 119.026 119.026 121.184 -2.158 19151 8687 1 12 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.494 0.234 19151 8688 1 12 . 1 1 40 40 GLU C C 40 177.827 177.827 177.741 0.086 19151 8689 1 12 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.318 -1.348 19151 8690 1 12 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.075 2.325 19151 8691 1 12 . 1 1 40 40 GLU H H 40 9.178 9.178 8.321 0.857 19151 8692 1 12 . 1 1 41 41 LEU N N 41 123.708 123.708 124.483 -0.775 19151 8693 1 12 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.198 -0.304 19151 8694 1 12 . 1 1 41 41 LEU C C 41 178.730 178.730 178.250 0.480 19151 8695 1 12 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.749 0.658 19151 8696 1 12 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.803 -0.150 19151 8697 1 12 . 1 1 41 41 LEU H H 41 9.160 9.160 8.805 0.355 19151 8698 1 12 . 1 1 42 42 SER N N 42 110.500 110.500 114.497 -3.997 19151 8699 1 12 . 1 1 42 42 SER HA H 42 4.010 4.010 4.287 -0.277 19151 8700 1 12 . 1 1 42 42 SER C C 42 176.300 176.300 175.066 1.234 19151 8701 1 12 . 1 1 42 42 SER CA C 42 61.600 61.600 60.819 0.781 19151 8702 1 12 . 1 1 42 42 SER CB C 42 62.140 62.140 62.804 -0.664 19151 8703 1 12 . 1 1 42 42 SER H H 42 8.415 8.415 8.588 -0.173 19151 8704 1 12 . 1 1 43 43 ASP N N 43 119.770 119.770 120.801 -1.031 19151 8705 1 12 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.648 -0.191 19151 8706 1 12 . 1 1 43 43 ASP C C 43 176.150 176.150 176.308 -0.158 19151 8707 1 12 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.462 1.288 19151 8708 1 12 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.952 1.748 19151 8709 1 12 . 1 1 43 43 ASP H H 43 7.690 7.690 7.996 -0.306 19151 8710 1 12 . 1 1 44 44 TRP N N 44 118.500 118.500 121.145 -2.645 19151 8711 1 12 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.466 -0.256 19151 8712 1 12 . 1 1 44 44 TRP C C 44 177.150 177.150 177.688 -0.538 19151 8713 1 12 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.423 0.964 19151 8714 1 12 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.038 0.272 19151 8715 1 12 . 1 1 44 44 TRP H H 44 7.464 7.464 7.299 0.165 19151 8716 1 12 . 1 1 45 45 LEU N N 45 114.100 114.100 120.701 -6.601 19151 8717 1 12 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.068 0.107 19151 8718 1 12 . 1 1 45 45 LEU C C 45 176.300 176.300 175.822 0.478 19151 8719 1 12 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.185 -0.625 19151 8720 1 12 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.305 -0.085 19151 8721 1 12 . 1 1 45 45 LEU H H 45 7.550 7.550 8.432 -0.882 19151 8722 1 12 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.139 0.241 19151 8723 1 12 . 1 1 46 46 PRO C C 46 176.799 176.799 176.964 -0.165 19151 8724 1 12 . 1 1 46 46 PRO CA C 46 65.287 65.287 65.073 0.214 19151 8725 1 12 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.275 0.325 19151 8726 1 12 . 1 1 47 47 TYR N N 47 113.790 113.790 113.948 -0.158 19151 8727 1 12 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.606 -0.486 19151 8728 1 12 . 1 1 47 47 TYR C C 47 175.730 175.730 177.731 -2.001 19151 8729 1 12 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.193 2.007 19151 8730 1 12 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.648 0.368 19151 8731 1 12 . 1 1 47 47 TYR H H 47 8.291 8.291 8.062 0.229 19151 8732 1 12 . 1 1 48 48 GLN N N 48 116.524 116.524 120.065 -3.541 19151 8733 1 12 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.948 -0.063 19151 8734 1 12 . 1 1 48 48 GLN C C 48 174.381 174.381 176.022 -1.641 19151 8735 1 12 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.597 0.229 19151 8736 1 12 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.730 2.270 19151 8737 1 12 . 1 1 48 48 GLN H H 48 7.300 7.300 7.478 -0.178 19151 8738 1 12 . 1 1 49 49 ASP N N 49 114.657 114.657 112.128 2.529 19151 8739 1 12 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.622 0.065 19151 8740 1 12 . 1 1 49 49 ASP C C 49 176.307 176.307 175.818 0.489 19151 8741 1 12 . 1 1 49 49 ASP CA C 49 51.735 51.735 54.011 -2.276 19151 8742 1 12 . 1 1 49 49 ASP CB C 49 40.200 40.200 40.934 -0.734 19151 8743 1 12 . 1 1 49 49 ASP H H 49 7.854 7.854 8.402 -0.548 19151 8744 1 12 . 1 1 50 50 LYS N N 50 123.514 123.514 119.459 4.055 19151 8745 1 12 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.542 0.048 19151 8746 1 12 . 1 1 50 50 LYS C C 50 172.964 172.964 175.214 -2.250 19151 8747 1 12 . 1 1 50 50 LYS CA C 50 54.693 54.693 54.606 0.087 19151 8748 1 12 . 1 1 50 50 LYS CB C 50 33.500 33.500 34.847 -1.347 19151 8749 1 12 . 1 1 50 50 LYS H H 50 7.833 7.833 7.482 0.351 19151 8750 1 12 . 1 1 51 51 TYR N N 51 118.375 118.375 115.869 2.506 19151 8751 1 12 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.772 0.283 19151 8752 1 12 . 1 1 51 51 TYR C C 51 175.875 175.875 176.427 -0.552 19151 8753 1 12 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.743 0.678 19151 8754 1 12 . 1 1 51 51 TYR CB C 51 42.477 42.477 40.475 2.002 19151 8755 1 12 . 1 1 51 51 TYR H H 51 7.745 7.745 8.125 -0.380 19151 8756 1 12 . 1 1 52 52 VAL N N 52 112.527 112.527 114.456 -1.929 19151 8757 1 12 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.991 0.509 19151 8758 1 12 . 1 1 52 52 VAL C C 52 173.910 173.910 174.239 -0.329 19151 8759 1 12 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.878 -2.182 19151 8760 1 12 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.327 1.165 19151 8761 1 12 . 1 1 52 52 VAL H H 52 8.673 8.673 8.433 0.240 19151 8762 1 12 . 1 1 53 53 LEU N N 53 124.294 124.294 123.506 0.788 19151 8763 1 12 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.132 -0.232 19151 8764 1 12 . 1 1 53 53 LEU C C 53 175.070 175.070 174.406 0.664 19151 8765 1 12 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.944 -1.378 19151 8766 1 12 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.488 -1.258 19151 8767 1 12 . 1 1 53 53 LEU H H 53 9.137 9.137 9.298 -0.161 19151 8768 1 12 . 1 1 54 54 VAL N N 54 127.850 127.850 128.083 -0.233 19151 8769 1 12 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.688 -0.178 19151 8770 1 12 . 1 1 54 54 VAL C C 54 174.030 174.030 174.611 -0.581 19151 8771 1 12 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.580 0.245 19151 8772 1 12 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.044 -0.353 19151 8773 1 12 . 1 1 54 54 VAL H H 54 8.619 8.619 9.016 -0.397 19151 8774 1 12 . 1 1 55 55 VAL N N 55 127.181 127.181 128.675 -1.494 19151 8775 1 12 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.732 0.353 19151 8776 1 12 . 1 1 55 55 VAL C C 55 174.942 174.942 174.268 0.674 19151 8777 1 12 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.714 -0.645 19151 8778 1 12 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.866 -0.644 19151 8779 1 12 . 1 1 55 55 VAL H H 55 8.578 8.578 8.938 -0.360 19151 8780 1 12 . 1 1 56 56 THR N N 56 117.420 117.420 123.043 -5.623 19151 8781 1 12 . 1 1 56 56 THR HA H 56 5.590 5.590 5.159 0.431 19151 8782 1 12 . 1 1 56 56 THR C C 56 172.640 172.640 172.793 -0.153 19151 8783 1 12 . 1 1 56 56 THR CA C 56 59.359 59.359 60.859 -1.500 19151 8784 1 12 . 1 1 56 56 THR CB C 56 70.715 70.715 70.187 0.528 19151 8785 1 12 . 1 1 56 56 THR H H 56 8.710 8.710 9.089 -0.379 19151 8786 1 12 . 1 1 57 57 SER HA H 57 5.250 5.250 5.199 0.051 19151 8787 1 12 . 1 1 57 57 SER CA C 57 57.730 57.730 56.712 1.018 19151 8788 1 12 . 1 1 57 57 SER CB C 57 64.500 64.500 65.141 -0.641 19151 8789 1 12 . 1 1 57 57 SER H H 57 8.075 8.075 8.917 -0.842 19151 8790 1 12 . 1 1 58 58 THR H H 58 7.900 7.900 8.896 -0.996 19151 8791 1 12 . 1 1 59 59 THR HA H 59 4.900 4.900 3.856 1.044 19151 8792 1 12 . 1 1 59 59 THR CA C 59 61.200 61.200 65.961 -4.761 19151 8793 1 12 . 1 1 59 59 THR CB C 59 73.400 73.400 69.101 4.299 19151 8794 1 12 . 1 1 59 59 THR H H 59 9.230 9.230 8.280 0.950 19151 8795 1 12 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.295 1.205 19151 8796 1 12 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.367 0.039 19151 8797 1 12 . 1 1 61 61 GLN C C 61 175.950 175.950 176.224 -0.274 19151 8798 1 12 . 1 1 61 61 GLN CA C 61 55.350 55.350 55.096 0.254 19151 8799 1 12 . 1 1 61 61 GLN CB C 61 29.160 29.160 27.576 1.584 19151 8800 1 12 . 1 1 62 62 GLY N N 62 108.420 108.420 109.309 -0.889 19151 8801 1 12 . 1 1 62 62 GLY C C 62 173.134 173.134 174.495 -1.361 19151 8802 1 12 . 1 1 62 62 GLY CA C 62 45.784 45.784 45.920 -0.136 19151 8803 1 12 . 1 1 62 62 GLY H H 62 8.073 8.073 8.041 0.032 19151 8804 1 12 . 1 1 63 63 ASP N N 63 118.400 118.400 120.928 -2.528 19151 8805 1 12 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.541 0.239 19151 8806 1 12 . 1 1 63 63 ASP CA C 63 53.296 53.296 54.141 -0.845 19151 8807 1 12 . 1 1 63 63 ASP CB C 63 42.740 42.740 41.969 0.771 19151 8808 1 12 . 1 1 63 63 ASP H H 63 7.248 7.248 7.764 -0.516 19151 8809 1 12 . 1 1 64 64 LEU HA H 64 4.400 4.400 3.967 0.433 19151 8810 1 12 . 1 1 64 64 LEU CA C 64 53.150 53.150 54.446 -1.296 19151 8811 1 12 . 1 1 64 64 LEU CB C 64 41.687 41.687 41.319 0.368 19151 8812 1 12 . 1 1 64 64 LEU H H 64 8.445 8.445 7.686 0.759 19151 8813 1 12 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.320 -0.027 19151 8814 1 12 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.796 -0.452 19151 8815 1 12 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.419 0.061 19151 8816 1 12 . 1 1 66 66 ASP N N 66 121.200 121.200 123.588 -2.388 19151 8817 1 12 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.346 -0.086 19151 8818 1 12 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.359 1.271 19151 8819 1 12 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.848 -0.048 19151 8820 1 12 . 1 1 66 66 ASP H H 66 8.605 8.605 8.925 -0.320 19151 8821 1 12 . 1 1 67 67 SER HA H 67 4.292 4.292 4.452 -0.160 19151 8822 1 12 . 1 1 67 67 SER C C 67 175.650 175.650 174.820 0.830 19151 8823 1 12 . 1 1 67 67 SER CA C 67 60.500 60.500 60.085 0.415 19151 8824 1 12 . 1 1 67 67 SER CB C 67 63.530 63.530 63.929 -0.399 19151 8825 1 12 . 1 1 68 68 ILE N N 68 120.550 120.550 121.496 -0.946 19151 8826 1 12 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.473 0.637 19151 8827 1 12 . 1 1 68 68 ILE C C 68 174.713 174.713 176.374 -1.661 19151 8828 1 12 . 1 1 68 68 ILE CA C 68 60.400 60.400 61.028 -0.628 19151 8829 1 12 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.481 3.759 19151 8830 1 12 . 1 1 68 68 ILE H H 68 7.870 7.870 7.868 0.002 19151 8831 1 12 . 1 1 69 69 VAL N N 69 125.740 125.740 123.502 2.238 19151 8832 1 12 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.706 0.039 19151 8833 1 12 . 1 1 69 69 VAL C C 69 174.500 174.500 174.915 -0.415 19151 8834 1 12 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.696 -1.146 19151 8835 1 12 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.514 0.616 19151 8836 1 12 . 1 1 69 69 VAL H H 69 7.428 7.428 8.696 -1.268 19151 8837 1 12 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.323 -0.031 19151 8838 1 12 . 1 1 70 70 PRO C C 70 180.820 180.820 178.794 2.026 19151 8839 1 12 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.070 0.400 19151 8840 1 12 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.222 -0.565 19151 8841 1 12 . 1 1 71 71 LEU N N 71 119.467 119.467 120.647 -1.180 19151 8842 1 12 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.000 -0.155 19151 8843 1 12 . 1 1 71 71 LEU C C 71 176.489 176.489 178.410 -1.921 19151 8844 1 12 . 1 1 71 71 LEU CA C 71 58.207 58.207 58.085 0.122 19151 8845 1 12 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.663 -0.177 19151 8846 1 12 . 1 1 71 71 LEU H H 71 7.918 7.918 7.682 0.236 19151 8847 1 12 . 1 1 72 72 PHE N N 72 119.361 119.361 119.267 0.094 19151 8848 1 12 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.259 -0.114 19151 8849 1 12 . 1 1 72 72 PHE C C 72 175.968 175.968 177.131 -1.163 19151 8850 1 12 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.638 0.183 19151 8851 1 12 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.590 0.957 19151 8852 1 12 . 1 1 72 72 PHE H H 72 7.903 7.903 8.687 -0.784 19151 8853 1 12 . 1 1 73 73 GLN N N 73 116.100 116.100 116.847 -0.747 19151 8854 1 12 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.714 -0.187 19151 8855 1 12 . 1 1 73 73 GLN C C 73 177.871 177.871 178.590 -0.719 19151 8856 1 12 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.813 -0.673 19151 8857 1 12 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.523 -0.376 19151 8858 1 12 . 1 1 73 73 GLN H H 73 9.042 9.042 8.576 0.466 19151 8859 1 12 . 1 1 74 74 GLY N N 74 107.110 107.110 108.579 -1.469 19151 8860 1 12 . 1 1 74 74 GLY C C 74 175.894 175.894 176.062 -0.168 19151 8861 1 12 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.828 0.452 19151 8862 1 12 . 1 1 74 74 GLY H H 74 8.045 8.045 8.037 0.008 19151 8863 1 12 . 1 1 75 75 ILE N N 75 123.629 123.629 122.783 0.846 19151 8864 1 12 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.337 -0.287 19151 8865 1 12 . 1 1 75 75 ILE C C 75 178.622 178.622 177.081 1.541 19151 8866 1 12 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.824 0.433 19151 8867 1 12 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.425 0.543 19151 8868 1 12 . 1 1 75 75 ILE H H 75 8.174 8.174 8.113 0.061 19151 8869 1 12 . 1 1 76 76 LYS N N 76 119.363 119.363 118.241 1.122 19151 8870 1 12 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.771 -0.466 19151 8871 1 12 . 1 1 76 76 LYS C C 76 177.909 177.909 178.215 -0.306 19151 8872 1 12 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.199 0.506 19151 8873 1 12 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.931 0.419 19151 8874 1 12 . 1 1 76 76 LYS H H 76 7.600 7.600 7.404 0.196 19151 8875 1 12 . 1 1 77 77 ASP N N 77 115.190 115.190 117.500 -2.310 19151 8876 1 12 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.607 -0.125 19151 8877 1 12 . 1 1 77 77 ASP C C 77 178.825 178.825 177.854 0.971 19151 8878 1 12 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.803 0.477 19151 8879 1 12 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.855 -0.665 19151 8880 1 12 . 1 1 77 77 ASP H H 77 8.482 8.482 8.169 0.313 19151 8881 1 12 . 1 1 78 78 SER N N 78 112.576 112.576 115.724 -3.148 19151 8882 1 12 . 1 1 78 78 SER HA H 78 4.728 4.728 4.437 0.291 19151 8883 1 12 . 1 1 78 78 SER C C 78 174.556 174.556 174.724 -0.168 19151 8884 1 12 . 1 1 78 78 SER CA C 78 60.045 60.045 60.096 -0.051 19151 8885 1 12 . 1 1 78 78 SER CB C 78 64.643 64.643 64.180 0.463 19151 8886 1 12 . 1 1 78 78 SER H H 78 8.273 8.273 7.988 0.285 19151 8887 1 12 . 1 1 79 79 LEU N N 79 120.833 120.833 120.683 0.150 19151 8888 1 12 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.462 0.353 19151 8889 1 12 . 1 1 79 79 LEU C C 79 176.251 176.251 179.105 -2.854 19151 8890 1 12 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.406 -2.446 19151 8891 1 12 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.184 -2.988 19151 8892 1 12 . 1 1 79 79 LEU H H 79 7.025 7.025 7.573 -0.548 19151 8893 1 12 . 1 1 80 80 GLY N N 80 108.861 108.861 107.648 1.213 19151 8894 1 12 . 1 1 80 80 GLY C C 80 173.623 173.623 173.490 0.133 19151 8895 1 12 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.757 -0.528 19151 8896 1 12 . 1 1 80 80 GLY H H 80 7.499 7.499 8.282 -0.783 19151 8897 1 12 . 1 1 81 81 PHE N N 81 121.441 121.441 120.264 1.177 19151 8898 1 12 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.699 0.361 19151 8899 1 12 . 1 1 81 81 PHE C C 81 174.411 174.411 172.536 1.875 19151 8900 1 12 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.019 0.192 19151 8901 1 12 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.894 -1.274 19151 8902 1 12 . 1 1 81 81 PHE H H 81 8.018 8.018 7.613 0.405 19151 8903 1 12 . 1 1 82 82 GLN N N 82 126.480 126.480 122.546 3.934 19151 8904 1 12 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.744 0.146 19151 8905 1 12 . 1 1 82 82 GLN C C 82 172.700 172.700 173.914 -1.214 19151 8906 1 12 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.286 1.891 19151 8907 1 12 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.492 2.108 19151 8908 1 12 . 1 1 82 82 GLN H H 82 9.588 9.588 7.493 2.095 19151 8909 1 12 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.285 0.088 19151 8910 1 12 . 1 1 83 83 PRO C C 83 178.163 178.163 176.731 1.432 19151 8911 1 12 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.748 -1.057 19151 8912 1 12 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.334 -0.469 19151 8913 1 12 . 1 1 84 84 ASN N N 84 116.900 116.900 115.459 1.441 19151 8914 1 12 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.838 -0.069 19151 8915 1 12 . 1 1 84 84 ASN C C 84 173.332 173.332 173.677 -0.345 19151 8916 1 12 . 1 1 84 84 ASN CA C 84 52.560 52.560 53.074 -0.514 19151 8917 1 12 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.187 -0.927 19151 8918 1 12 . 1 1 84 84 ASN H H 84 8.578 8.578 8.086 0.492 19151 8919 1 12 . 1 1 85 85 LEU N N 85 124.380 124.380 122.563 1.817 19151 8920 1 12 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.488 -0.442 19151 8921 1 12 . 1 1 85 85 LEU C C 85 175.880 175.880 175.508 0.372 19151 8922 1 12 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.754 1.088 19151 8923 1 12 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.289 -0.989 19151 8924 1 12 . 1 1 85 85 LEU H H 85 7.240 7.240 7.681 -0.441 19151 8925 1 12 . 1 1 86 86 ARG N N 86 128.715 128.715 123.958 4.757 19151 8926 1 12 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.118 0.676 19151 8927 1 12 . 1 1 86 86 ARG C C 86 175.554 175.554 174.671 0.883 19151 8928 1 12 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.342 0.100 19151 8929 1 12 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.237 -1.364 19151 8930 1 12 . 1 1 86 86 ARG H H 86 7.732 7.732 8.274 -0.542 19151 8931 1 12 . 1 1 87 87 TYR N N 87 117.420 117.420 119.367 -1.947 19151 8932 1 12 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.600 1.165 19151 8933 1 12 . 1 1 87 87 TYR C C 87 172.931 172.931 173.187 -0.256 19151 8934 1 12 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.520 -1.259 19151 8935 1 12 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.579 3.359 19151 8936 1 12 . 1 1 87 87 TYR H H 87 8.783 8.783 8.168 0.615 19151 8937 1 12 . 1 1 88 88 GLY N N 88 107.765 107.765 106.011 1.754 19151 8938 1 12 . 1 1 88 88 GLY C C 88 172.621 172.621 171.271 1.350 19151 8939 1 12 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.754 1.107 19151 8940 1 12 . 1 1 88 88 GLY H H 88 8.905 8.905 8.644 0.261 19151 8941 1 12 . 1 1 89 89 VAL N N 89 118.180 118.180 118.739 -0.559 19151 8942 1 12 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.674 0.327 19151 8943 1 12 . 1 1 89 89 VAL C C 89 172.939 172.939 173.736 -0.797 19151 8944 1 12 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.852 0.147 19151 8945 1 12 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.567 0.831 19151 8946 1 12 . 1 1 89 89 VAL H H 89 7.499 7.499 8.168 -0.669 19151 8947 1 12 . 1 1 90 90 ILE N N 90 125.000 125.000 125.934 -0.934 19151 8948 1 12 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.104 0.023 19151 8949 1 12 . 1 1 90 90 ILE C C 90 173.099 173.099 173.637 -0.538 19151 8950 1 12 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.759 0.729 19151 8951 1 12 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.173 0.225 19151 8952 1 12 . 1 1 90 90 ILE H H 90 8.810 8.810 8.886 -0.076 19151 8953 1 12 . 1 1 91 91 ALA N N 91 129.036 129.036 129.940 -0.904 19151 8954 1 12 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.356 -0.030 19151 8955 1 12 . 1 1 91 91 ALA C C 91 174.000 174.000 175.667 -1.667 19151 8956 1 12 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.625 -0.625 19151 8957 1 12 . 1 1 91 91 ALA CB C 91 22.100 22.100 20.996 1.104 19151 8958 1 12 . 1 1 91 91 ALA H H 91 9.253 9.253 8.847 0.406 19151 8959 1 12 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.144 -0.213 19151 8960 1 12 . 1 1 92 92 LEU C C 92 177.366 177.366 176.711 0.655 19151 8961 1 12 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.112 0.805 19151 8962 1 12 . 1 1 92 92 LEU CB C 92 43.400 43.400 45.934 -2.534 19151 8963 1 12 . 1 1 93 93 GLY N N 93 110.663 110.663 108.708 1.955 19151 8964 1 12 . 1 1 93 93 GLY C C 93 172.029 172.029 171.951 0.078 19151 8965 1 12 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.742 -0.012 19151 8966 1 12 . 1 1 93 93 GLY H H 93 8.687 8.687 8.985 -0.298 19151 8967 1 12 . 1 1 94 94 ASP N N 94 119.304 119.304 120.613 -1.309 19151 8968 1 12 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.291 -0.031 19151 8969 1 12 . 1 1 94 94 ASP C C 94 176.978 176.978 177.841 -0.863 19151 8970 1 12 . 1 1 94 94 ASP CA C 94 53.607 53.607 51.900 1.707 19151 8971 1 12 . 1 1 94 94 ASP CB C 94 43.000 43.000 40.743 2.257 19151 8972 1 12 . 1 1 94 94 ASP H H 94 8.129 8.129 8.219 -0.090 19151 8973 1 12 . 1 1 95 95 SER N N 95 123.897 123.897 118.936 4.961 19151 8974 1 12 . 1 1 95 95 SER HA H 95 3.895 3.895 4.156 -0.261 19151 8975 1 12 . 1 1 95 95 SER C C 95 175.243 175.243 175.365 -0.122 19151 8976 1 12 . 1 1 95 95 SER CA C 95 60.183 60.183 60.426 -0.243 19151 8977 1 12 . 1 1 95 95 SER CB C 95 61.700 61.700 62.612 -0.912 19151 8978 1 12 . 1 1 95 95 SER H H 95 8.878 8.878 9.199 -0.321 19151 8979 1 12 . 1 1 96 96 SER N N 96 119.248 119.248 116.340 2.908 19151 8980 1 12 . 1 1 96 96 SER HA H 96 4.209 4.209 4.233 -0.024 19151 8981 1 12 . 1 1 96 96 SER C C 96 173.900 173.900 175.017 -1.117 19151 8982 1 12 . 1 1 96 96 SER CA C 96 60.197 60.197 59.772 0.425 19151 8983 1 12 . 1 1 96 96 SER CB C 96 63.000 63.000 63.263 -0.263 19151 8984 1 12 . 1 1 96 96 SER H H 96 9.124 9.124 8.194 0.930 19151 8985 1 12 . 1 1 97 97 TYR N N 97 120.889 120.889 121.900 -1.011 19151 8986 1 12 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.515 0.373 19151 8987 1 12 . 1 1 97 97 TYR C C 97 175.972 175.972 177.500 -1.528 19151 8988 1 12 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.353 -2.603 19151 8989 1 12 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.217 0.603 19151 8990 1 12 . 1 1 97 97 TYR H H 97 7.664 7.664 7.829 -0.165 19151 8991 1 12 . 1 1 98 98 VAL N N 98 116.952 116.952 122.389 -5.437 19151 8992 1 12 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.785 0.275 19151 8993 1 12 . 1 1 98 98 VAL C C 98 175.969 175.969 175.970 -0.001 19151 8994 1 12 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.006 -2.166 19151 8995 1 12 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.571 1.029 19151 8996 1 12 . 1 1 98 98 VAL H H 98 7.970 7.970 8.566 -0.596 19151 8997 1 12 . 1 1 99 99 ASN N N 99 118.156 118.156 117.148 1.008 19151 8998 1 12 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.753 -0.242 19151 8999 1 12 . 1 1 99 99 ASN C C 99 174.329 174.329 175.601 -1.272 19151 9000 1 12 . 1 1 99 99 ASN CA C 99 53.031 53.031 52.343 0.688 19151 9001 1 12 . 1 1 99 99 ASN CB C 99 37.238 37.238 38.267 -1.029 19151 9002 1 12 . 1 1 99 99 ASN H H 99 8.296 8.296 7.988 0.308 19151 9003 1 12 . 1 1 100 100 PHE N N 100 118.649 118.649 120.967 -2.318 19151 9004 1 12 . 1 1 100 100 PHE HA H 100 4.415 4.415 3.950 0.465 19151 9005 1 12 . 1 1 100 100 PHE C C 100 174.400 174.400 175.197 -0.797 19151 9006 1 12 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.280 -3.090 19151 9007 1 12 . 1 1 100 100 PHE CB C 100 39.679 39.679 38.222 1.457 19151 9008 1 12 . 1 1 100 100 PHE H H 100 7.855 7.855 8.030 -0.175 19151 9009 1 12 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.153 -0.568 19151 9010 1 12 . 1 1 101 101 CYS CA C 101 62.740 62.740 56.049 6.691 19151 9011 1 12 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.345 -1.345 19151 9012 1 12 . 1 1 101 101 CYS H H 101 9.240 9.240 7.711 1.529 19151 9013 1 12 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.336 -0.116 19151 9014 1 12 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.889 0.311 19151 9015 1 12 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.651 -0.051 19151 9016 1 12 . 1 1 102 102 ASN H H 102 8.300 8.300 8.597 -0.297 19151 9017 1 12 . 1 1 103 103 GLY C C 103 175.690 175.690 175.785 -0.095 19151 9018 1 12 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.189 0.161 19151 9019 1 12 . 1 1 104 104 GLY N N 104 106.150 106.150 109.248 -3.098 19151 9020 1 12 . 1 1 104 104 GLY C C 104 174.570 174.570 176.179 -1.609 19151 9021 1 12 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.264 1.085 19151 9022 1 12 . 1 1 104 104 GLY H H 104 7.108 7.108 7.639 -0.531 19151 9023 1 12 . 1 1 105 105 LYS N N 105 120.732 120.732 122.452 -1.720 19151 9024 1 12 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.993 -0.056 19151 9025 1 12 . 1 1 105 105 LYS C C 105 179.706 179.706 178.967 0.739 19151 9026 1 12 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.887 0.421 19151 9027 1 12 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.175 -0.378 19151 9028 1 12 . 1 1 105 105 LYS H H 105 7.708 7.708 7.441 0.267 19151 9029 1 12 . 1 1 106 106 GLN N N 106 119.087 119.087 118.382 0.705 19151 9030 1 12 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.165 -0.023 19151 9031 1 12 . 1 1 106 106 GLN C C 106 179.418 179.418 178.580 0.838 19151 9032 1 12 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.779 0.096 19151 9033 1 12 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.378 0.381 19151 9034 1 12 . 1 1 106 106 GLN H H 106 8.738 8.738 8.657 0.081 19151 9035 1 12 . 1 1 107 107 PHE N N 107 123.088 123.088 119.778 3.310 19151 9036 1 12 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.341 -0.091 19151 9037 1 12 . 1 1 107 107 PHE C C 107 178.403 178.403 177.736 0.667 19151 9038 1 12 . 1 1 107 107 PHE CA C 107 62.185 62.185 62.238 -0.053 19151 9039 1 12 . 1 1 107 107 PHE CB C 107 39.451 39.451 39.047 0.404 19151 9040 1 12 . 1 1 107 107 PHE H H 107 7.922 7.922 7.946 -0.024 19151 9041 1 12 . 1 1 108 108 ASP N N 108 117.118 117.118 120.540 -3.422 19151 9042 1 12 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.643 -0.269 19151 9043 1 12 . 1 1 108 108 ASP C C 108 176.973 176.973 178.209 -1.236 19151 9044 1 12 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.509 0.920 19151 9045 1 12 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.217 2.906 19151 9046 1 12 . 1 1 108 108 ASP H H 108 8.305 8.305 8.502 -0.197 19151 9047 1 12 . 1 1 109 109 ALA N N 109 118.590 118.590 122.769 -4.179 19151 9048 1 12 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.130 -0.080 19151 9049 1 12 . 1 1 109 109 ALA C C 109 180.430 180.430 179.882 0.548 19151 9050 1 12 . 1 1 109 109 ALA CA C 109 55.196 55.196 54.903 0.293 19151 9051 1 12 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.350 -0.243 19151 9052 1 12 . 1 1 109 109 ALA H H 109 8.332 8.332 8.169 0.163 19151 9053 1 12 . 1 1 110 110 LEU N N 110 120.402 120.402 120.365 0.037 19151 9054 1 12 . 1 1 110 110 LEU HA H 110 4.085 4.085 4.057 0.028 19151 9055 1 12 . 1 1 110 110 LEU C C 110 177.801 177.801 179.000 -1.199 19151 9056 1 12 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.551 0.089 19151 9057 1 12 . 1 1 110 110 LEU CB C 110 41.756 41.756 41.057 0.699 19151 9058 1 12 . 1 1 110 110 LEU H H 110 7.868 7.868 7.559 0.309 19151 9059 1 12 . 1 1 111 111 LEU N N 111 116.945 116.945 117.259 -0.314 19151 9060 1 12 . 1 1 111 111 LEU HA H 111 3.718 3.718 4.080 -0.362 19151 9061 1 12 . 1 1 111 111 LEU C C 111 179.838 179.838 179.505 0.333 19151 9062 1 12 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.474 0.491 19151 9063 1 12 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.471 -2.611 19151 9064 1 12 . 1 1 111 111 LEU H H 111 7.704 7.704 7.470 0.234 19151 9065 1 12 . 1 1 112 112 GLN N N 112 118.484 118.484 116.056 2.428 19151 9066 1 12 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.118 0.023 19151 9067 1 12 . 1 1 112 112 GLN C C 112 181.218 181.218 178.041 3.177 19151 9068 1 12 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.691 1.275 19151 9069 1 12 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.349 0.911 19151 9070 1 12 . 1 1 112 112 GLN H H 112 8.441 8.441 7.632 0.809 19151 9071 1 12 . 1 1 113 113 GLU N N 113 122.905 122.905 117.678 5.227 19151 9072 1 12 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.154 0.027 19151 9073 1 12 . 1 1 113 113 GLU C C 113 178.001 178.001 177.266 0.735 19151 9074 1 12 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.956 1.029 19151 9075 1 12 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.557 -0.287 19151 9076 1 12 . 1 1 113 113 GLU H H 113 8.305 8.305 7.915 0.390 19151 9077 1 12 . 1 1 114 114 GLN N N 114 117.332 117.332 118.805 -1.473 19151 9078 1 12 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.379 0.216 19151 9079 1 12 . 1 1 114 114 GLN C C 114 174.538 174.538 176.994 -2.456 19151 9080 1 12 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.447 -1.030 19151 9081 1 12 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.916 -5.086 19151 9082 1 12 . 1 1 114 114 GLN H H 114 7.520 7.520 7.626 -0.106 19151 9083 1 12 . 1 1 115 115 SER N N 115 109.100 109.100 109.610 -0.510 19151 9084 1 12 . 1 1 115 115 SER HA H 115 4.200 4.200 4.473 -0.273 19151 9085 1 12 . 1 1 115 115 SER C C 115 172.302 172.302 173.862 -1.560 19151 9086 1 12 . 1 1 115 115 SER CA C 115 60.400 60.400 58.481 1.919 19151 9087 1 12 . 1 1 115 115 SER CB C 115 61.325 61.325 64.560 -3.235 19151 9088 1 12 . 1 1 115 115 SER H H 115 7.950 7.950 8.147 -0.197 19151 9089 1 12 . 1 1 116 116 ALA N N 116 121.059 121.059 125.967 -4.908 19151 9090 1 12 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.258 0.536 19151 9091 1 12 . 1 1 116 116 ALA C C 116 176.774 176.774 176.547 0.227 19151 9092 1 12 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.518 -0.828 19151 9093 1 12 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.220 1.145 19151 9094 1 12 . 1 1 116 116 ALA H H 116 7.813 7.813 7.573 0.240 19151 9095 1 12 . 1 1 117 117 GLN N N 117 118.000 118.000 119.536 -1.536 19151 9096 1 12 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.508 0.110 19151 9097 1 12 . 1 1 117 117 GLN C C 117 173.769 173.769 175.795 -2.026 19151 9098 1 12 . 1 1 117 117 GLN CA C 117 54.556 54.556 55.551 -0.995 19151 9099 1 12 . 1 1 117 117 GLN CB C 117 30.735 30.735 30.635 0.100 19151 9100 1 12 . 1 1 117 117 GLN H H 117 8.591 8.591 8.665 -0.074 19151 9101 1 12 . 1 1 118 118 ARG N N 118 127.947 127.947 120.901 7.046 19151 9102 1 12 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.130 -1.822 19151 9103 1 12 . 1 1 118 118 ARG C C 118 176.758 176.758 175.536 1.222 19151 9104 1 12 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.868 1.317 19151 9105 1 12 . 1 1 118 118 ARG CB C 118 30.310 30.310 32.883 -2.573 19151 9106 1 12 . 1 1 118 118 ARG H H 118 8.659 8.659 8.575 0.084 19151 9107 1 12 . 1 1 119 119 VAL N N 119 131.939 131.939 123.674 8.265 19151 9108 1 12 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.357 -0.244 19151 9109 1 12 . 1 1 119 119 VAL C C 119 176.775 176.775 176.060 0.715 19151 9110 1 12 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.005 1.169 19151 9111 1 12 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.748 -1.355 19151 9112 1 12 . 1 1 119 119 VAL H H 119 9.520 9.520 8.856 0.664 19151 9113 1 12 . 1 1 120 120 GLY N N 120 116.074 116.074 116.110 -0.036 19151 9114 1 12 . 1 1 120 120 GLY C C 120 172.757 172.757 173.266 -0.509 19151 9115 1 12 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.469 -1.571 19151 9116 1 12 . 1 1 120 120 GLY H H 120 8.755 8.755 8.560 0.195 19151 9117 1 12 . 1 1 121 121 GLU N N 121 118.754 118.754 120.091 -1.337 19151 9118 1 12 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.621 0.045 19151 9119 1 12 . 1 1 121 121 GLU C C 121 177.419 177.419 176.445 0.974 19151 9120 1 12 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.500 -0.009 19151 9121 1 12 . 1 1 121 121 GLU CB C 121 31.498 31.498 31.766 -0.268 19151 9122 1 12 . 1 1 121 121 GLU H H 121 8.594 8.594 8.519 0.075 19151 9123 1 12 . 1 1 122 122 MET N N 122 122.642 122.642 121.398 1.244 19151 9124 1 12 . 1 1 122 122 MET HA H 122 4.415 4.415 4.808 -0.393 19151 9125 1 12 . 1 1 122 122 MET C C 122 175.351 175.351 175.303 0.048 19151 9126 1 12 . 1 1 122 122 MET CA C 122 57.024 57.024 55.223 1.801 19151 9127 1 12 . 1 1 122 122 MET CB C 122 34.210 34.210 33.188 1.022 19151 9128 1 12 . 1 1 122 122 MET H H 122 8.892 8.892 8.633 0.259 19151 9129 1 12 . 1 1 123 123 LEU N N 123 129.535 129.535 122.911 6.624 19151 9130 1 12 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.443 -0.093 19151 9131 1 12 . 1 1 123 123 LEU C C 123 173.124 173.124 174.152 -1.028 19151 9132 1 12 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.352 0.387 19151 9133 1 12 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.829 -1.751 19151 9134 1 12 . 1 1 123 123 LEU H H 123 7.868 7.868 7.607 0.261 19151 9135 1 12 . 1 1 124 124 LEU N N 124 127.120 127.120 126.191 0.929 19151 9136 1 12 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.776 0.279 19151 9137 1 12 . 1 1 124 124 LEU C C 124 176.379 176.379 176.179 0.200 19151 9138 1 12 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.145 0.404 19151 9139 1 12 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.710 -1.332 19151 9140 1 12 . 1 1 124 124 LEU H H 124 8.346 8.346 8.222 0.124 19151 9141 1 12 . 1 1 125 125 ILE N N 125 124.337 124.337 125.041 -0.704 19151 9142 1 12 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.251 -0.071 19151 9143 1 12 . 1 1 125 125 ILE C C 125 174.303 174.303 174.726 -0.423 19151 9144 1 12 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.817 0.283 19151 9145 1 12 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.678 -0.735 19151 9146 1 12 . 1 1 125 125 ILE H H 125 8.974 8.974 8.657 0.317 19151 9147 1 12 . 1 1 126 126 ASP N N 126 127.113 127.113 128.492 -1.379 19151 9148 1 12 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.532 -0.417 19151 9149 1 12 . 1 1 126 126 ASP C C 126 176.766 176.766 176.566 0.200 19151 9150 1 12 . 1 1 126 126 ASP CA C 126 51.847 51.847 51.998 -0.151 19151 9151 1 12 . 1 1 126 126 ASP CB C 126 41.100 41.100 41.709 -0.609 19151 9152 1 12 . 1 1 126 126 ASP H H 126 9.397 9.397 8.887 0.510 19151 9153 1 12 . 1 1 127 127 ALA N N 127 131.178 131.178 131.528 -0.350 19151 9154 1 12 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.533 -0.217 19151 9155 1 12 . 1 1 127 127 ALA C C 127 178.530 178.530 178.913 -0.383 19151 9156 1 12 . 1 1 127 127 ALA CA C 127 53.847 53.847 53.992 -0.145 19151 9157 1 12 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.005 -0.213 19151 9158 1 12 . 1 1 127 127 ALA H H 127 9.696 9.696 9.106 0.590 19151 9159 1 12 . 1 1 128 128 SER N N 128 112.064 112.064 112.712 -0.648 19151 9160 1 12 . 1 1 128 128 SER HA H 128 4.224 4.224 4.215 0.009 19151 9161 1 12 . 1 1 128 128 SER C C 128 175.000 175.000 175.825 -0.825 19151 9162 1 12 . 1 1 128 128 SER CA C 128 61.246 61.246 60.173 1.073 19151 9163 1 12 . 1 1 128 128 SER CB C 128 63.310 63.310 63.248 0.062 19151 9164 1 12 . 1 1 128 128 SER H H 128 8.373 8.373 8.346 0.027 19151 9165 1 12 . 1 1 129 129 GLU N N 129 119.468 119.468 118.302 1.166 19151 9166 1 12 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.385 0.015 19151 9167 1 12 . 1 1 129 129 GLU C C 129 175.947 175.947 176.029 -0.082 19151 9168 1 12 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.740 -0.325 19151 9169 1 12 . 1 1 129 129 GLU CB C 129 31.730 31.730 32.210 -0.480 19151 9170 1 12 . 1 1 129 129 GLU H H 129 7.267 7.267 7.581 -0.314 19151 9171 1 12 . 1 1 130 130 ASN N N 130 115.968 115.968 118.096 -2.128 19151 9172 1 12 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.107 0.059 19151 9173 1 12 . 1 1 130 130 ASN C C 130 172.000 172.000 174.062 -2.062 19151 9174 1 12 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.945 -0.722 19151 9175 1 12 . 1 1 130 130 ASN CB C 130 39.666 39.666 40.021 -0.355 19151 9176 1 12 . 1 1 130 130 ASN H H 130 8.072 8.072 8.184 -0.112 19151 9177 1 12 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.482 0.068 19151 9178 1 12 . 1 1 131 131 PRO C C 131 176.400 176.400 176.175 0.225 19151 9179 1 12 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.878 -0.378 19151 9180 1 12 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.760 0.540 19151 9181 1 12 . 1 1 132 132 GLU N N 132 119.000 119.000 118.814 0.186 19151 9182 1 12 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.878 0.142 19151 9183 1 12 . 1 1 132 132 GLU C C 132 174.200 174.200 175.121 -0.921 19151 9184 1 12 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.003 -0.003 19151 9185 1 12 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.449 0.251 19151 9186 1 12 . 1 1 132 132 GLU H H 132 7.690 7.690 8.163 -0.473 19151 9187 1 12 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.233 -0.233 19151 9188 1 12 . 1 1 133 133 PRO C C 133 177.391 177.391 178.141 -0.750 19151 9189 1 12 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.273 0.196 19151 9190 1 12 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.990 0.155 19151 9191 1 12 . 1 1 134 134 GLU N N 134 122.846 122.846 118.030 4.816 19151 9192 1 12 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.217 1.003 19151 9193 1 12 . 1 1 134 134 GLU C C 134 178.385 178.385 178.603 -0.218 19151 9194 1 12 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.326 -1.734 19151 9195 1 12 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.214 -1.624 19151 9196 1 12 . 1 1 134 134 GLU H H 134 10.707 10.707 8.918 1.789 19151 9197 1 12 . 1 1 135 135 THR N N 135 113.016 113.016 111.432 1.584 19151 9198 1 12 . 1 1 135 135 THR HA H 135 4.182 4.182 4.241 -0.059 19151 9199 1 12 . 1 1 135 135 THR C C 135 176.460 176.460 175.506 0.954 19151 9200 1 12 . 1 1 135 135 THR CA C 135 64.752 64.752 64.748 0.004 19151 9201 1 12 . 1 1 135 135 THR CB C 135 69.248 69.248 68.730 0.518 19151 9202 1 12 . 1 1 135 135 THR H H 135 8.168 8.168 8.028 0.140 19151 9203 1 12 . 1 1 136 136 GLU N N 136 118.978 118.978 121.513 -2.535 19151 9204 1 12 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.496 0.068 19151 9205 1 12 . 1 1 136 136 GLU C C 136 178.370 178.370 178.570 -0.200 19151 9206 1 12 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.049 -1.136 19151 9207 1 12 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.817 1.283 19151 9208 1 12 . 1 1 136 136 GLU H H 136 7.680 7.680 7.611 0.069 19151 9209 1 12 . 1 1 137 137 SER N N 137 116.501 116.501 115.735 0.766 19151 9210 1 12 . 1 1 137 137 SER HA H 137 4.033 4.033 4.208 -0.175 19151 9211 1 12 . 1 1 137 137 SER C C 137 175.670 175.670 176.597 -0.927 19151 9212 1 12 . 1 1 137 137 SER CA C 137 62.330 62.330 61.858 0.473 19151 9213 1 12 . 1 1 137 137 SER CB C 137 61.380 61.380 63.140 -1.760 19151 9214 1 12 . 1 1 137 137 SER H H 137 8.824 8.824 8.483 0.341 19151 9215 1 12 . 1 1 138 138 ASN N N 138 123.517 123.517 121.657 1.860 19151 9216 1 12 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.639 -0.048 19151 9217 1 12 . 1 1 138 138 ASN C C 138 175.700 175.700 175.040 0.660 19151 9218 1 12 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.193 0.293 19151 9219 1 12 . 1 1 138 138 ASN CB C 138 34.253 34.253 36.720 -2.467 19151 9220 1 12 . 1 1 138 138 ASN H H 138 8.564 8.564 8.351 0.213 19151 9221 1 12 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.133 0.322 19151 9222 1 12 . 1 1 139 139 PRO C C 139 180.033 180.033 178.557 1.476 19151 9223 1 12 . 1 1 139 139 PRO CA C 139 65.610 65.610 64.990 0.620 19151 9224 1 12 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.079 -0.543 19151 9225 1 12 . 1 1 140 140 TRP N N 140 119.700 119.700 121.585 -1.885 19151 9226 1 12 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.339 -0.006 19151 9227 1 12 . 1 1 140 140 TRP C C 140 179.195 179.195 178.083 1.112 19151 9228 1 12 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.556 0.624 19151 9229 1 12 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.560 1.191 19151 9230 1 12 . 1 1 140 140 TRP H H 140 7.057 7.057 7.560 -0.503 19151 9231 1 12 . 1 1 141 141 VAL N N 141 122.879 122.879 118.389 4.490 19151 9232 1 12 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.734 0.002 19151 9233 1 12 . 1 1 141 141 VAL C C 141 177.416 177.416 178.736 -1.320 19151 9234 1 12 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.073 -0.357 19151 9235 1 12 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.213 0.219 19151 9236 1 12 . 1 1 141 141 VAL H H 141 9.629 9.629 8.768 0.861 19151 9237 1 12 . 1 1 142 142 GLU N N 142 119.965 119.965 120.748 -0.783 19151 9238 1 12 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.964 -0.232 19151 9239 1 12 . 1 1 142 142 GLU C C 142 178.800 178.800 178.873 -0.073 19151 9240 1 12 . 1 1 142 142 GLU CA C 142 59.332 59.332 60.010 -0.678 19151 9241 1 12 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.700 -0.140 19151 9242 1 12 . 1 1 142 142 GLU H H 142 8.551 8.551 8.319 0.232 19151 9243 1 12 . 1 1 143 143 HIS N N 143 115.364 115.364 118.523 -3.159 19151 9244 1 12 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.190 0.100 19151 9245 1 12 . 1 1 143 143 HIS C C 143 177.840 177.840 177.292 0.548 19151 9246 1 12 . 1 1 143 143 HIS CA C 143 59.363 59.363 57.783 1.580 19151 9247 1 12 . 1 1 143 143 HIS CB C 143 29.362 29.362 29.935 -0.573 19151 9248 1 12 . 1 1 143 143 HIS H H 143 7.380 7.380 7.957 -0.577 19151 9249 1 12 . 1 1 144 144 TRP N N 144 126.680 126.680 122.033 4.647 19151 9250 1 12 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.951 -0.617 19151 9251 1 12 . 1 1 144 144 TRP C C 144 178.200 178.200 178.283 -0.083 19151 9252 1 12 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.723 2.237 19151 9253 1 12 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.240 0.285 19151 9254 1 12 . 1 1 144 144 TRP H H 144 9.215 9.215 8.632 0.583 19151 9255 1 12 . 1 1 145 145 GLY N N 145 100.130 100.130 105.362 -5.232 19151 9256 1 12 . 1 1 145 145 GLY C C 145 177.391 177.391 175.427 1.964 19151 9257 1 12 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.373 -0.613 19151 9258 1 12 . 1 1 145 145 GLY H H 145 8.834 8.834 8.528 0.306 19151 9259 1 12 . 1 1 146 146 THR N N 146 110.831 110.831 114.068 -3.237 19151 9260 1 12 . 1 1 146 146 THR HA H 146 4.319 4.319 4.070 0.249 19151 9261 1 12 . 1 1 146 146 THR C C 146 175.574 175.574 175.683 -0.109 19151 9262 1 12 . 1 1 146 146 THR CA C 146 63.260 63.260 64.044 -0.784 19151 9263 1 12 . 1 1 146 146 THR CB C 146 69.660 69.660 68.462 1.198 19151 9264 1 12 . 1 1 146 146 THR H H 146 7.594 7.594 7.494 0.100 19151 9265 1 12 . 1 1 147 147 LEU N N 147 120.678 120.678 119.567 1.111 19151 9266 1 12 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.118 -0.060 19151 9267 1 12 . 1 1 147 147 LEU C C 147 177.176 177.176 176.341 0.835 19151 9268 1 12 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.494 -1.180 19151 9269 1 12 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.389 -0.161 19151 9270 1 12 . 1 1 147 147 LEU H H 147 7.458 7.458 7.538 -0.080 19151 9271 1 12 . 1 1 148 148 LEU N N 148 117.062 117.062 118.302 -1.240 19151 9272 1 12 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.901 -0.183 19151 9273 1 12 . 1 1 148 148 LEU C C 148 175.570 175.570 176.700 -1.130 19151 9274 1 12 . 1 1 148 148 LEU CA C 148 53.951 53.951 53.915 0.036 19151 9275 1 12 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.084 -1.484 19151 9276 1 12 . 1 1 148 148 LEU H H 148 6.482 6.482 6.846 -0.364 19151 9277 1 13 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.820 -0.591 19151 9278 1 13 . 1 1 2 2 ALA C C 2 173.315 173.315 175.099 -1.784 19151 9279 1 13 . 1 1 2 2 ALA CA C 2 51.580 51.580 52.238 -0.658 19151 9280 1 13 . 1 1 2 2 ALA CB C 2 20.223 20.223 21.849 -1.626 19151 9281 1 13 . 1 1 3 3 GLU N N 3 121.874 121.874 121.303 0.571 19151 9282 1 13 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.185 0.089 19151 9283 1 13 . 1 1 3 3 GLU C C 3 174.545 174.545 174.912 -0.367 19151 9284 1 13 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.325 0.525 19151 9285 1 13 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.778 -1.058 19151 9286 1 13 . 1 1 3 3 GLU H H 3 8.696 8.696 8.610 0.086 19151 9287 1 13 . 1 1 4 4 ILE N N 4 120.672 120.672 124.913 -4.241 19151 9288 1 13 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.764 0.345 19151 9289 1 13 . 1 1 4 4 ILE C C 4 175.463 175.463 175.055 0.408 19151 9290 1 13 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.263 -0.430 19151 9291 1 13 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.333 3.337 19151 9292 1 13 . 1 1 4 4 ILE H H 4 8.860 8.860 8.947 -0.087 19151 9293 1 13 . 1 1 5 5 GLY N N 5 119.310 119.310 115.018 4.292 19151 9294 1 13 . 1 1 5 5 GLY C C 5 171.260 171.260 172.954 -1.694 19151 9295 1 13 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.613 0.207 19151 9296 1 13 . 1 1 5 5 GLY H H 5 8.469 8.469 8.337 0.132 19151 9297 1 13 . 1 1 6 6 ILE N N 6 126.915 126.915 126.372 0.543 19151 9298 1 13 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.099 0.091 19151 9299 1 13 . 1 1 6 6 ILE C C 6 173.901 173.901 174.477 -0.576 19151 9300 1 13 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.691 -0.691 19151 9301 1 13 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.823 -1.823 19151 9302 1 13 . 1 1 6 6 ILE H H 6 9.056 9.056 9.233 -0.177 19151 9303 1 13 . 1 1 7 7 PHE N N 7 127.354 127.354 127.461 -0.107 19151 9304 1 13 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.100 -0.588 19151 9305 1 13 . 1 1 7 7 PHE C C 7 174.230 174.230 174.532 -0.302 19151 9306 1 13 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.357 2.053 19151 9307 1 13 . 1 1 7 7 PHE CB C 7 41.728 41.728 41.123 0.605 19151 9308 1 13 . 1 1 7 7 PHE H H 7 8.960 8.960 9.610 -0.650 19151 9309 1 13 . 1 1 8 8 VAL N N 8 127.270 127.270 124.680 2.590 19151 9310 1 13 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.226 -0.166 19151 9311 1 13 . 1 1 8 8 VAL C C 8 175.450 175.450 175.398 0.052 19151 9312 1 13 . 1 1 8 8 VAL CA C 8 61.200 61.200 59.860 1.340 19151 9313 1 13 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.898 0.539 19151 9314 1 13 . 1 1 8 8 VAL H H 8 8.581 8.581 7.828 0.753 19151 9315 1 13 . 1 1 9 9 GLY N N 9 115.000 115.000 117.053 -2.053 19151 9316 1 13 . 1 1 9 9 GLY C C 9 173.150 173.150 172.059 1.091 19151 9317 1 13 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.199 0.801 19151 9318 1 13 . 1 1 9 9 GLY H H 9 9.393 9.393 9.142 0.251 19151 9319 1 13 . 1 1 12 12 TYR HA H 12 4.695 4.695 5.021 -0.326 19151 9320 1 13 . 1 1 12 12 TYR C C 12 176.560 176.560 176.652 -0.092 19151 9321 1 13 . 1 1 12 12 TYR CA C 12 57.750 57.750 56.061 1.689 19151 9322 1 13 . 1 1 12 12 TYR CB C 12 38.000 38.000 37.110 0.890 19151 9323 1 13 . 1 1 13 13 GLY N N 13 109.870 109.870 109.860 0.010 19151 9324 1 13 . 1 1 13 13 GLY C C 13 175.930 175.930 175.892 0.038 19151 9325 1 13 . 1 1 13 13 GLY CA C 13 46.000 46.000 46.553 -0.553 19151 9326 1 13 . 1 1 13 13 GLY H H 13 8.500 8.500 8.743 -0.243 19151 9327 1 13 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.518 -0.288 19151 9328 1 13 . 1 1 17 17 LEU C C 17 179.210 179.210 177.271 1.939 19151 9329 1 13 . 1 1 17 17 LEU CA C 17 58.400 58.400 55.643 2.757 19151 9330 1 13 . 1 1 17 17 LEU CB C 17 41.300 41.300 42.768 -1.468 19151 9331 1 13 . 1 1 18 18 VAL N N 18 117.231 117.231 120.945 -3.714 19151 9332 1 13 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.680 -0.357 19151 9333 1 13 . 1 1 18 18 VAL C C 18 178.460 178.460 177.577 0.883 19151 9334 1 13 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.128 0.738 19151 9335 1 13 . 1 1 18 18 VAL CB C 18 31.460 31.460 31.432 0.028 19151 9336 1 13 . 1 1 18 18 VAL H H 18 7.645 7.645 8.186 -0.541 19151 9337 1 13 . 1 1 19 19 ALA N N 19 121.820 121.820 122.135 -0.315 19151 9338 1 13 . 1 1 19 19 ALA HA H 19 3.816 3.816 4.094 -0.278 19151 9339 1 13 . 1 1 19 19 ALA C C 19 178.180 178.180 179.237 -1.057 19151 9340 1 13 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.258 0.318 19151 9341 1 13 . 1 1 19 19 ALA CB C 19 20.000 20.000 17.717 2.283 19151 9342 1 13 . 1 1 19 19 ALA H H 19 8.010 8.010 8.357 -0.347 19151 9343 1 13 . 1 1 20 20 GLU N N 20 118.960 118.960 118.542 0.418 19151 9344 1 13 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.051 -0.035 19151 9345 1 13 . 1 1 20 20 GLU C C 20 180.950 180.950 178.937 2.013 19151 9346 1 13 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.151 0.514 19151 9347 1 13 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.291 0.009 19151 9348 1 13 . 1 1 20 20 GLU H H 20 8.700 8.700 8.011 0.689 19151 9349 1 13 . 1 1 21 21 GLU N N 21 121.371 121.371 120.281 1.090 19151 9350 1 13 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.053 -0.009 19151 9351 1 13 . 1 1 21 21 GLU C C 21 179.419 179.419 178.847 0.572 19151 9352 1 13 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.261 0.049 19151 9353 1 13 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.317 0.244 19151 9354 1 13 . 1 1 21 21 GLU H H 21 8.632 8.632 8.091 0.540 19151 9355 1 13 . 1 1 22 22 ALA N N 22 121.329 121.329 122.514 -1.185 19151 9356 1 13 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.082 -0.024 19151 9357 1 13 . 1 1 22 22 ALA C C 22 178.823 178.823 179.396 -0.573 19151 9358 1 13 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.562 -0.885 19151 9359 1 13 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.186 -0.542 19151 9360 1 13 . 1 1 22 22 ALA H H 22 8.182 8.182 8.527 -0.345 19151 9361 1 13 . 1 1 23 23 GLU N N 23 119.035 119.035 119.272 -0.237 19151 9362 1 13 . 1 1 23 23 GLU HA H 23 3.404 3.404 3.994 -0.590 19151 9363 1 13 . 1 1 23 23 GLU C C 23 178.375 178.375 178.646 -0.271 19151 9364 1 13 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.734 0.574 19151 9365 1 13 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.632 -0.702 19151 9366 1 13 . 1 1 23 23 GLU H H 23 8.387 8.387 8.431 -0.044 19151 9367 1 13 . 1 1 24 24 ALA N N 24 122.207 122.207 121.820 0.387 19151 9368 1 13 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.108 -0.078 19151 9369 1 13 . 1 1 24 24 ALA C C 24 181.132 181.132 179.892 1.240 19151 9370 1 13 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.099 0.388 19151 9371 1 13 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.658 -0.658 19151 9372 1 13 . 1 1 24 24 ALA H H 24 7.535 7.535 7.790 -0.255 19151 9373 1 13 . 1 1 25 25 ILE N N 25 121.059 121.059 119.775 1.284 19151 9374 1 13 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.664 0.000 19151 9375 1 13 . 1 1 25 25 ILE C C 25 178.419 178.419 177.866 0.553 19151 9376 1 13 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.182 -1.074 19151 9377 1 13 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.176 0.787 19151 9378 1 13 . 1 1 25 25 ILE H H 25 7.800 7.800 8.555 -0.755 19151 9379 1 13 . 1 1 26 26 LEU N N 26 119.307 119.307 120.375 -1.068 19151 9380 1 13 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.183 -0.007 19151 9381 1 13 . 1 1 26 26 LEU C C 26 179.863 179.863 179.743 0.120 19151 9382 1 13 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.313 -0.367 19151 9383 1 13 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.339 -0.199 19151 9384 1 13 . 1 1 26 26 LEU H H 26 8.509 8.509 8.614 -0.105 19151 9385 1 13 . 1 1 27 27 THR N N 27 117.830 117.830 116.166 1.664 19151 9386 1 13 . 1 1 27 27 THR HA H 27 4.524 4.524 4.293 0.231 19151 9387 1 13 . 1 1 27 27 THR C C 27 179.027 179.027 176.194 2.833 19151 9388 1 13 . 1 1 27 27 THR CA C 27 66.000 66.000 66.573 -0.573 19151 9389 1 13 . 1 1 27 27 THR CB C 27 68.600 68.600 68.495 0.105 19151 9390 1 13 . 1 1 27 27 THR H H 27 8.796 8.796 8.460 0.336 19151 9391 1 13 . 1 1 28 28 ALA N N 28 126.313 126.313 122.607 3.706 19151 9392 1 13 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.167 0.038 19151 9393 1 13 . 1 1 28 28 ALA C C 28 179.360 179.360 179.149 0.211 19151 9394 1 13 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.224 0.776 19151 9395 1 13 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.241 -0.591 19151 9396 1 13 . 1 1 28 28 ALA H H 28 7.832 7.832 7.769 0.063 19151 9397 1 13 . 1 1 29 29 GLN N N 29 115.527 115.527 116.503 -0.976 19151 9398 1 13 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.130 -0.003 19151 9399 1 13 . 1 1 29 29 GLN C C 29 176.547 176.547 176.864 -0.317 19151 9400 1 13 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.109 -0.546 19151 9401 1 13 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.779 -0.369 19151 9402 1 13 . 1 1 29 29 GLN H H 29 7.353 7.353 8.050 -0.697 19151 9403 1 13 . 1 1 30 30 GLY N N 30 105.961 105.961 105.703 0.258 19151 9404 1 13 . 1 1 30 30 GLY C C 30 174.785 174.785 173.571 1.214 19151 9405 1 13 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.429 0.071 19151 9406 1 13 . 1 1 30 30 GLY H H 30 7.923 7.923 7.670 0.253 19151 9407 1 13 . 1 1 31 31 HIS N N 31 119.471 119.471 117.882 1.589 19151 9408 1 13 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.920 -0.085 19151 9409 1 13 . 1 1 31 31 HIS C C 31 174.665 174.665 175.268 -0.603 19151 9410 1 13 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.026 1.817 19151 9411 1 13 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.528 0.472 19151 9412 1 13 . 1 1 31 31 HIS H H 31 7.558 7.558 8.071 -0.513 19151 9413 1 13 . 1 1 32 32 LYS N N 32 121.854 121.854 122.915 -1.061 19151 9414 1 13 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.499 0.224 19151 9415 1 13 . 1 1 32 32 LYS C C 32 174.466 174.466 175.329 -0.863 19151 9416 1 13 . 1 1 32 32 LYS CA C 32 54.865 54.865 55.012 -0.147 19151 9417 1 13 . 1 1 32 32 LYS CB C 32 32.960 32.960 30.450 2.510 19151 9418 1 13 . 1 1 32 32 LYS H H 32 8.665 8.665 8.850 -0.185 19151 9419 1 13 . 1 1 33 33 ALA N N 33 130.188 130.188 126.470 3.718 19151 9420 1 13 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.436 0.382 19151 9421 1 13 . 1 1 33 33 ALA C C 33 175.567 175.567 177.037 -1.470 19151 9422 1 13 . 1 1 33 33 ALA CA C 33 49.976 49.976 51.009 -1.033 19151 9423 1 13 . 1 1 33 33 ALA CB C 33 22.297 22.297 20.739 1.558 19151 9424 1 13 . 1 1 33 33 ALA H H 33 8.837 8.837 8.102 0.735 19151 9425 1 13 . 1 1 34 34 THR N N 34 117.164 117.164 118.938 -1.774 19151 9426 1 13 . 1 1 34 34 THR HA H 34 4.359 4.359 4.678 -0.319 19151 9427 1 13 . 1 1 34 34 THR C C 34 171.315 171.315 173.352 -2.037 19151 9428 1 13 . 1 1 34 34 THR CA C 34 61.840 61.840 61.438 0.402 19151 9429 1 13 . 1 1 34 34 THR CB C 34 71.800 71.800 72.448 -0.648 19151 9430 1 13 . 1 1 34 34 THR H H 34 7.826 7.826 8.842 -1.016 19151 9431 1 13 . 1 1 35 35 VAL N N 35 126.650 126.650 124.322 2.328 19151 9432 1 13 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.254 -0.071 19151 9433 1 13 . 1 1 35 35 VAL C C 35 174.675 174.675 175.251 -0.576 19151 9434 1 13 . 1 1 35 35 VAL CA C 35 61.928 61.928 62.242 -0.314 19151 9435 1 13 . 1 1 35 35 VAL CB C 35 32.650 32.650 31.882 0.768 19151 9436 1 13 . 1 1 35 35 VAL H H 35 8.496 8.496 8.810 -0.314 19151 9437 1 13 . 1 1 36 36 PHE N N 36 127.630 127.630 127.003 0.627 19151 9438 1 13 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.649 -0.098 19151 9439 1 13 . 1 1 36 36 PHE C C 36 174.347 174.347 174.257 0.090 19151 9440 1 13 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.531 0.951 19151 9441 1 13 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.456 -0.291 19151 9442 1 13 . 1 1 36 36 PHE H H 36 9.164 9.164 9.162 0.002 19151 9443 1 13 . 1 1 37 37 GLU N N 37 123.516 123.516 124.113 -0.597 19151 9444 1 13 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.441 0.029 19151 9445 1 13 . 1 1 37 37 GLU C C 37 175.954 175.954 176.021 -0.067 19151 9446 1 13 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.009 -0.290 19151 9447 1 13 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.923 0.537 19151 9448 1 13 . 1 1 37 37 GLU H H 37 8.455 8.455 8.652 -0.197 19151 9449 1 13 . 1 1 38 38 ASP N N 38 120.395 120.395 122.497 -2.102 19151 9450 1 13 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.433 0.400 19151 9451 1 13 . 1 1 38 38 ASP C C 38 173.920 173.920 174.575 -0.655 19151 9452 1 13 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.087 0.390 19151 9453 1 13 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.691 -0.087 19151 9454 1 13 . 1 1 38 38 ASP H H 38 9.602 9.602 8.783 0.819 19151 9455 1 13 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.618 0.062 19151 9456 1 13 . 1 1 39 39 PRO C C 39 176.274 176.274 176.363 -0.089 19151 9457 1 13 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.071 -0.086 19151 9458 1 13 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.963 1.437 19151 9459 1 13 . 1 1 40 40 GLU N N 40 119.026 119.026 121.016 -1.990 19151 9460 1 13 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.645 0.083 19151 9461 1 13 . 1 1 40 40 GLU C C 40 177.827 177.827 178.439 -0.612 19151 9462 1 13 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.075 -0.105 19151 9463 1 13 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.331 2.069 19151 9464 1 13 . 1 1 40 40 GLU H H 40 9.178 9.178 8.998 0.180 19151 9465 1 13 . 1 1 41 41 LEU N N 41 123.708 123.708 123.591 0.117 19151 9466 1 13 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.251 -0.357 19151 9467 1 13 . 1 1 41 41 LEU C C 41 178.730 178.730 177.548 1.182 19151 9468 1 13 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.467 0.941 19151 9469 1 13 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.708 -0.055 19151 9470 1 13 . 1 1 41 41 LEU H H 41 9.160 9.160 8.658 0.502 19151 9471 1 13 . 1 1 42 42 SER N N 42 110.500 110.500 113.783 -3.283 19151 9472 1 13 . 1 1 42 42 SER HA H 42 4.010 4.010 4.244 -0.234 19151 9473 1 13 . 1 1 42 42 SER C C 42 176.300 176.300 175.177 1.123 19151 9474 1 13 . 1 1 42 42 SER CA C 42 61.600 61.600 60.800 0.800 19151 9475 1 13 . 1 1 42 42 SER CB C 42 62.140 62.140 62.888 -0.748 19151 9476 1 13 . 1 1 42 42 SER H H 42 8.415 8.415 8.529 -0.114 19151 9477 1 13 . 1 1 43 43 ASP N N 43 119.770 119.770 120.578 -0.808 19151 9478 1 13 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.673 -0.216 19151 9479 1 13 . 1 1 43 43 ASP C C 43 176.150 176.150 176.254 -0.104 19151 9480 1 13 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.730 1.020 19151 9481 1 13 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.000 1.700 19151 9482 1 13 . 1 1 43 43 ASP H H 43 7.690 7.690 8.076 -0.386 19151 9483 1 13 . 1 1 44 44 TRP N N 44 118.500 118.500 121.172 -2.672 19151 9484 1 13 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.591 -0.381 19151 9485 1 13 . 1 1 44 44 TRP C C 44 177.150 177.150 177.645 -0.495 19151 9486 1 13 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.471 0.916 19151 9487 1 13 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.696 -0.386 19151 9488 1 13 . 1 1 44 44 TRP H H 44 7.464 7.464 7.442 0.022 19151 9489 1 13 . 1 1 45 45 LEU N N 45 114.100 114.100 120.905 -6.805 19151 9490 1 13 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.068 0.107 19151 9491 1 13 . 1 1 45 45 LEU C C 45 176.300 176.300 175.783 0.517 19151 9492 1 13 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.212 -0.652 19151 9493 1 13 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.308 -0.088 19151 9494 1 13 . 1 1 45 45 LEU H H 45 7.550 7.550 8.319 -0.769 19151 9495 1 13 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.176 0.204 19151 9496 1 13 . 1 1 46 46 PRO C C 46 176.799 176.799 176.959 -0.160 19151 9497 1 13 . 1 1 46 46 PRO CA C 46 65.287 65.287 65.031 0.257 19151 9498 1 13 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.136 0.464 19151 9499 1 13 . 1 1 47 47 TYR N N 47 113.790 113.790 115.046 -1.256 19151 9500 1 13 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.686 -0.566 19151 9501 1 13 . 1 1 47 47 TYR C C 47 175.730 175.730 177.516 -1.786 19151 9502 1 13 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.226 1.974 19151 9503 1 13 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.891 0.125 19151 9504 1 13 . 1 1 47 47 TYR H H 47 8.291 8.291 8.289 0.002 19151 9505 1 13 . 1 1 48 48 GLN N N 48 116.524 116.524 119.936 -3.412 19151 9506 1 13 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.867 0.018 19151 9507 1 13 . 1 1 48 48 GLN C C 48 174.381 174.381 176.072 -1.691 19151 9508 1 13 . 1 1 48 48 GLN CA C 48 59.826 59.826 60.171 -0.345 19151 9509 1 13 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.728 2.272 19151 9510 1 13 . 1 1 48 48 GLN H H 48 7.300 7.300 7.512 -0.212 19151 9511 1 13 . 1 1 49 49 ASP N N 49 114.657 114.657 111.928 2.729 19151 9512 1 13 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.652 0.035 19151 9513 1 13 . 1 1 49 49 ASP C C 49 176.307 176.307 175.859 0.448 19151 9514 1 13 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.659 -1.924 19151 9515 1 13 . 1 1 49 49 ASP CB C 49 40.200 40.200 40.391 -0.191 19151 9516 1 13 . 1 1 49 49 ASP H H 49 7.854 7.854 8.427 -0.573 19151 9517 1 13 . 1 1 50 50 LYS N N 50 123.514 123.514 119.043 4.471 19151 9518 1 13 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.182 0.408 19151 9519 1 13 . 1 1 50 50 LYS C C 50 172.964 172.964 174.521 -1.557 19151 9520 1 13 . 1 1 50 50 LYS CA C 50 54.693 54.693 54.879 -0.186 19151 9521 1 13 . 1 1 50 50 LYS CB C 50 33.500 33.500 35.475 -1.975 19151 9522 1 13 . 1 1 50 50 LYS H H 50 7.833 7.833 7.497 0.336 19151 9523 1 13 . 1 1 51 51 TYR N N 51 118.375 118.375 115.855 2.520 19151 9524 1 13 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.843 0.212 19151 9525 1 13 . 1 1 51 51 TYR C C 51 175.875 175.875 176.347 -0.472 19151 9526 1 13 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.458 0.963 19151 9527 1 13 . 1 1 51 51 TYR CB C 51 42.477 42.477 41.127 1.350 19151 9528 1 13 . 1 1 51 51 TYR H H 51 7.745 7.745 7.993 -0.248 19151 9529 1 13 . 1 1 52 52 VAL N N 52 112.527 112.527 114.252 -1.725 19151 9530 1 13 . 1 1 52 52 VAL HA H 52 5.500 5.500 5.086 0.414 19151 9531 1 13 . 1 1 52 52 VAL C C 52 173.910 173.910 174.104 -0.194 19151 9532 1 13 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.257 -1.561 19151 9533 1 13 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.586 0.906 19151 9534 1 13 . 1 1 52 52 VAL H H 52 8.673 8.673 8.334 0.339 19151 9535 1 13 . 1 1 53 53 LEU N N 53 124.294 124.294 123.746 0.548 19151 9536 1 13 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.116 -0.216 19151 9537 1 13 . 1 1 53 53 LEU C C 53 175.070 175.070 174.373 0.697 19151 9538 1 13 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.937 -1.371 19151 9539 1 13 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.360 -1.130 19151 9540 1 13 . 1 1 53 53 LEU H H 53 9.137 9.137 9.174 -0.037 19151 9541 1 13 . 1 1 54 54 VAL N N 54 127.850 127.850 127.707 0.143 19151 9542 1 13 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.695 -0.185 19151 9543 1 13 . 1 1 54 54 VAL C C 54 174.030 174.030 174.322 -0.292 19151 9544 1 13 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.080 0.745 19151 9545 1 13 . 1 1 54 54 VAL CB C 54 32.691 32.691 32.843 -0.151 19151 9546 1 13 . 1 1 54 54 VAL H H 54 8.619 8.619 9.058 -0.439 19151 9547 1 13 . 1 1 55 55 VAL N N 55 127.181 127.181 129.052 -1.871 19151 9548 1 13 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.735 0.350 19151 9549 1 13 . 1 1 55 55 VAL C C 55 174.942 174.942 174.517 0.425 19151 9550 1 13 . 1 1 55 55 VAL CA C 55 60.069 60.069 61.290 -1.221 19151 9551 1 13 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.500 -0.278 19151 9552 1 13 . 1 1 55 55 VAL H H 55 8.578 8.578 8.954 -0.376 19151 9553 1 13 . 1 1 56 56 THR N N 56 117.420 117.420 122.963 -5.543 19151 9554 1 13 . 1 1 56 56 THR HA H 56 5.590 5.590 5.169 0.421 19151 9555 1 13 . 1 1 56 56 THR C C 56 172.640 172.640 172.719 -0.079 19151 9556 1 13 . 1 1 56 56 THR CA C 56 59.359 59.359 60.843 -1.484 19151 9557 1 13 . 1 1 56 56 THR CB C 56 70.715 70.715 70.333 0.382 19151 9558 1 13 . 1 1 56 56 THR H H 56 8.710 8.710 8.995 -0.285 19151 9559 1 13 . 1 1 57 57 SER HA H 57 5.250 5.250 5.252 -0.002 19151 9560 1 13 . 1 1 57 57 SER CA C 57 57.730 57.730 56.587 1.143 19151 9561 1 13 . 1 1 57 57 SER CB C 57 64.500 64.500 65.800 -1.300 19151 9562 1 13 . 1 1 57 57 SER H H 57 8.075 8.075 8.749 -0.674 19151 9563 1 13 . 1 1 58 58 THR H H 58 7.900 7.900 8.775 -0.875 19151 9564 1 13 . 1 1 59 59 THR HA H 59 4.900 4.900 4.116 0.784 19151 9565 1 13 . 1 1 59 59 THR CA C 59 61.200 61.200 64.923 -3.723 19151 9566 1 13 . 1 1 59 59 THR CB C 59 73.400 73.400 69.388 4.012 19151 9567 1 13 . 1 1 59 59 THR H H 59 9.230 9.230 7.530 1.700 19151 9568 1 13 . 1 1 60 60 GLY CA C 60 46.500 46.500 44.790 1.710 19151 9569 1 13 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.208 0.198 19151 9570 1 13 . 1 1 61 61 GLN C C 61 175.950 175.950 176.154 -0.204 19151 9571 1 13 . 1 1 61 61 GLN CA C 61 55.350 55.350 55.789 -0.439 19151 9572 1 13 . 1 1 61 61 GLN CB C 61 29.160 29.160 26.556 2.604 19151 9573 1 13 . 1 1 62 62 GLY N N 62 108.420 108.420 108.523 -0.103 19151 9574 1 13 . 1 1 62 62 GLY C C 62 173.134 173.134 173.859 -0.725 19151 9575 1 13 . 1 1 62 62 GLY CA C 62 45.784 45.784 45.024 0.760 19151 9576 1 13 . 1 1 62 62 GLY H H 62 8.073 8.073 8.153 -0.080 19151 9577 1 13 . 1 1 63 63 ASP N N 63 118.400 118.400 118.846 -0.446 19151 9578 1 13 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.728 0.052 19151 9579 1 13 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.731 0.565 19151 9580 1 13 . 1 1 63 63 ASP CB C 63 42.740 42.740 42.599 0.141 19151 9581 1 13 . 1 1 63 63 ASP H H 63 7.248 7.248 7.946 -0.698 19151 9582 1 13 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.564 -0.164 19151 9583 1 13 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.749 1.401 19151 9584 1 13 . 1 1 64 64 LEU CB C 64 41.687 41.687 43.262 -1.575 19151 9585 1 13 . 1 1 64 64 LEU H H 64 8.445 8.445 8.071 0.374 19151 9586 1 13 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.480 -0.187 19151 9587 1 13 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.617 -0.273 19151 9588 1 13 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.574 -0.094 19151 9589 1 13 . 1 1 66 66 ASP N N 66 121.200 121.200 122.659 -1.459 19151 9590 1 13 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.371 -0.111 19151 9591 1 13 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.261 1.369 19151 9592 1 13 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.804 -0.004 19151 9593 1 13 . 1 1 66 66 ASP H H 66 8.605 8.605 8.648 -0.043 19151 9594 1 13 . 1 1 67 67 SER HA H 67 4.292 4.292 4.253 0.039 19151 9595 1 13 . 1 1 67 67 SER C C 67 175.650 175.650 175.114 0.536 19151 9596 1 13 . 1 1 67 67 SER CA C 67 60.500 60.500 60.451 0.049 19151 9597 1 13 . 1 1 67 67 SER CB C 67 63.530 63.530 63.768 -0.238 19151 9598 1 13 . 1 1 68 68 ILE N N 68 120.550 120.550 120.670 -0.120 19151 9599 1 13 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.462 0.648 19151 9600 1 13 . 1 1 68 68 ILE C C 68 174.713 174.713 176.570 -1.857 19151 9601 1 13 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.824 -0.424 19151 9602 1 13 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.691 3.549 19151 9603 1 13 . 1 1 68 68 ILE H H 68 7.870 7.870 7.557 0.313 19151 9604 1 13 . 1 1 69 69 VAL N N 69 125.740 125.740 123.433 2.307 19151 9605 1 13 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.764 -0.019 19151 9606 1 13 . 1 1 69 69 VAL C C 69 174.500 174.500 175.215 -0.715 19151 9607 1 13 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.223 -0.673 19151 9608 1 13 . 1 1 69 69 VAL CB C 69 30.130 30.130 28.795 1.335 19151 9609 1 13 . 1 1 69 69 VAL H H 69 7.428 7.428 8.400 -0.972 19151 9610 1 13 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.317 -0.025 19151 9611 1 13 . 1 1 70 70 PRO C C 70 180.820 180.820 179.110 1.710 19151 9612 1 13 . 1 1 70 70 PRO CA C 70 66.470 66.470 65.949 0.521 19151 9613 1 13 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.198 -0.541 19151 9614 1 13 . 1 1 71 71 LEU N N 71 119.467 119.467 120.683 -1.216 19151 9615 1 13 . 1 1 71 71 LEU HA H 71 3.845 3.845 3.967 -0.122 19151 9616 1 13 . 1 1 71 71 LEU C C 71 176.489 176.489 178.110 -1.621 19151 9617 1 13 . 1 1 71 71 LEU CA C 71 58.207 58.207 58.145 0.062 19151 9618 1 13 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.658 -0.172 19151 9619 1 13 . 1 1 71 71 LEU H H 71 7.918 7.918 7.770 0.148 19151 9620 1 13 . 1 1 72 72 PHE N N 72 119.361 119.361 119.204 0.157 19151 9621 1 13 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.287 -0.142 19151 9622 1 13 . 1 1 72 72 PHE C C 72 175.968 175.968 177.130 -1.162 19151 9623 1 13 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.623 0.198 19151 9624 1 13 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.574 0.973 19151 9625 1 13 . 1 1 72 72 PHE H H 72 7.903 7.903 8.540 -0.637 19151 9626 1 13 . 1 1 73 73 GLN N N 73 116.100 116.100 116.881 -0.781 19151 9627 1 13 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.759 -0.232 19151 9628 1 13 . 1 1 73 73 GLN C C 73 177.871 177.871 178.694 -0.823 19151 9629 1 13 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.771 -0.631 19151 9630 1 13 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.131 0.016 19151 9631 1 13 . 1 1 73 73 GLN H H 73 9.042 9.042 8.628 0.414 19151 9632 1 13 . 1 1 74 74 GLY N N 74 107.110 107.110 108.209 -1.099 19151 9633 1 13 . 1 1 74 74 GLY C C 74 175.894 175.894 176.401 -0.507 19151 9634 1 13 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.791 0.489 19151 9635 1 13 . 1 1 74 74 GLY H H 74 8.045 8.045 8.161 -0.116 19151 9636 1 13 . 1 1 75 75 ILE N N 75 123.629 123.629 122.745 0.884 19151 9637 1 13 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.351 -0.301 19151 9638 1 13 . 1 1 75 75 ILE C C 75 178.622 178.622 177.030 1.592 19151 9639 1 13 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.819 0.438 19151 9640 1 13 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.432 0.536 19151 9641 1 13 . 1 1 75 75 ILE H H 75 8.174 8.174 8.083 0.091 19151 9642 1 13 . 1 1 76 76 LYS N N 76 119.363 119.363 118.287 1.076 19151 9643 1 13 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.780 -0.475 19151 9644 1 13 . 1 1 76 76 LYS C C 76 177.909 177.909 178.203 -0.294 19151 9645 1 13 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.175 0.530 19151 9646 1 13 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.944 0.406 19151 9647 1 13 . 1 1 76 76 LYS H H 76 7.600 7.600 7.340 0.260 19151 9648 1 13 . 1 1 77 77 ASP N N 77 115.190 115.190 117.586 -2.396 19151 9649 1 13 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.590 -0.108 19151 9650 1 13 . 1 1 77 77 ASP C C 77 178.825 178.825 177.853 0.972 19151 9651 1 13 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.860 0.420 19151 9652 1 13 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.794 -0.604 19151 9653 1 13 . 1 1 77 77 ASP H H 77 8.482 8.482 8.165 0.317 19151 9654 1 13 . 1 1 78 78 SER N N 78 112.576 112.576 115.670 -3.094 19151 9655 1 13 . 1 1 78 78 SER HA H 78 4.728 4.728 4.438 0.290 19151 9656 1 13 . 1 1 78 78 SER C C 78 174.556 174.556 174.729 -0.173 19151 9657 1 13 . 1 1 78 78 SER CA C 78 60.045 60.045 60.054 -0.009 19151 9658 1 13 . 1 1 78 78 SER CB C 78 64.643 64.643 64.184 0.459 19151 9659 1 13 . 1 1 78 78 SER H H 78 8.273 8.273 7.976 0.297 19151 9660 1 13 . 1 1 79 79 LEU N N 79 120.833 120.833 120.740 0.093 19151 9661 1 13 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.454 0.361 19151 9662 1 13 . 1 1 79 79 LEU C C 79 176.251 176.251 179.108 -2.857 19151 9663 1 13 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.421 -2.461 19151 9664 1 13 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.152 -2.956 19151 9665 1 13 . 1 1 79 79 LEU H H 79 7.025 7.025 7.523 -0.498 19151 9666 1 13 . 1 1 80 80 GLY N N 80 108.861 108.861 107.012 1.849 19151 9667 1 13 . 1 1 80 80 GLY C C 80 173.623 173.623 173.541 0.082 19151 9668 1 13 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.561 -0.332 19151 9669 1 13 . 1 1 80 80 GLY H H 80 7.499 7.499 8.315 -0.816 19151 9670 1 13 . 1 1 81 81 PHE N N 81 121.441 121.441 120.238 1.203 19151 9671 1 13 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.709 0.351 19151 9672 1 13 . 1 1 81 81 PHE C C 81 174.411 174.411 172.521 1.890 19151 9673 1 13 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.330 -0.119 19151 9674 1 13 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.906 -1.286 19151 9675 1 13 . 1 1 81 81 PHE H H 81 8.018 8.018 7.336 0.682 19151 9676 1 13 . 1 1 82 82 GLN N N 82 126.480 126.480 122.512 3.968 19151 9677 1 13 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.749 0.141 19151 9678 1 13 . 1 1 82 82 GLN C C 82 172.700 172.700 173.923 -1.223 19151 9679 1 13 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.313 1.864 19151 9680 1 13 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.487 2.113 19151 9681 1 13 . 1 1 82 82 GLN H H 82 9.588 9.588 7.498 2.090 19151 9682 1 13 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.311 0.062 19151 9683 1 13 . 1 1 83 83 PRO C C 83 178.163 178.163 176.733 1.430 19151 9684 1 13 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.689 -0.998 19151 9685 1 13 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.359 -0.494 19151 9686 1 13 . 1 1 84 84 ASN N N 84 116.900 116.900 115.647 1.253 19151 9687 1 13 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.835 -0.066 19151 9688 1 13 . 1 1 84 84 ASN C C 84 173.332 173.332 173.637 -0.305 19151 9689 1 13 . 1 1 84 84 ASN CA C 84 52.560 52.560 53.067 -0.507 19151 9690 1 13 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.152 -0.892 19151 9691 1 13 . 1 1 84 84 ASN H H 84 8.578 8.578 8.082 0.496 19151 9692 1 13 . 1 1 85 85 LEU N N 85 124.380 124.380 122.635 1.745 19151 9693 1 13 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.504 -0.458 19151 9694 1 13 . 1 1 85 85 LEU C C 85 175.880 175.880 175.426 0.454 19151 9695 1 13 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.592 1.250 19151 9696 1 13 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.417 -1.117 19151 9697 1 13 . 1 1 85 85 LEU H H 85 7.240 7.240 7.678 -0.438 19151 9698 1 13 . 1 1 86 86 ARG N N 86 128.715 128.715 123.814 4.901 19151 9699 1 13 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.124 0.670 19151 9700 1 13 . 1 1 86 86 ARG C C 86 175.554 175.554 174.671 0.883 19151 9701 1 13 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.365 0.077 19151 9702 1 13 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.313 -1.440 19151 9703 1 13 . 1 1 86 86 ARG H H 86 7.732 7.732 8.258 -0.526 19151 9704 1 13 . 1 1 87 87 TYR N N 87 117.420 117.420 119.364 -1.944 19151 9705 1 13 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.602 1.163 19151 9706 1 13 . 1 1 87 87 TYR C C 87 172.931 172.931 173.184 -0.253 19151 9707 1 13 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.569 -1.308 19151 9708 1 13 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.569 3.369 19151 9709 1 13 . 1 1 87 87 TYR H H 87 8.783 8.783 8.184 0.599 19151 9710 1 13 . 1 1 88 88 GLY N N 88 107.765 107.765 105.633 2.132 19151 9711 1 13 . 1 1 88 88 GLY C C 88 172.621 172.621 171.274 1.347 19151 9712 1 13 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.789 1.072 19151 9713 1 13 . 1 1 88 88 GLY H H 88 8.905 8.905 8.595 0.310 19151 9714 1 13 . 1 1 89 89 VAL N N 89 118.180 118.180 118.690 -0.510 19151 9715 1 13 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.685 0.316 19151 9716 1 13 . 1 1 89 89 VAL C C 89 172.939 172.939 173.758 -0.819 19151 9717 1 13 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.653 0.346 19151 9718 1 13 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.319 1.079 19151 9719 1 13 . 1 1 89 89 VAL H H 89 7.499 7.499 8.242 -0.743 19151 9720 1 13 . 1 1 90 90 ILE N N 90 125.000 125.000 126.097 -1.097 19151 9721 1 13 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.018 0.109 19151 9722 1 13 . 1 1 90 90 ILE C C 90 173.099 173.099 173.497 -0.398 19151 9723 1 13 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.952 0.536 19151 9724 1 13 . 1 1 90 90 ILE CB C 90 40.398 40.398 39.743 0.655 19151 9725 1 13 . 1 1 90 90 ILE H H 90 8.810 8.810 8.957 -0.147 19151 9726 1 13 . 1 1 91 91 ALA N N 91 129.036 129.036 129.949 -0.913 19151 9727 1 13 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.404 -0.078 19151 9728 1 13 . 1 1 91 91 ALA C C 91 174.000 174.000 175.738 -1.738 19151 9729 1 13 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.641 -0.641 19151 9730 1 13 . 1 1 91 91 ALA CB C 91 22.100 22.100 20.991 1.109 19151 9731 1 13 . 1 1 91 91 ALA H H 91 9.253 9.253 8.832 0.421 19151 9732 1 13 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.089 -0.158 19151 9733 1 13 . 1 1 92 92 LEU C C 92 177.366 177.366 176.862 0.504 19151 9734 1 13 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.082 0.835 19151 9735 1 13 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.032 -2.632 19151 9736 1 13 . 1 1 93 93 GLY N N 93 110.663 110.663 108.507 2.156 19151 9737 1 13 . 1 1 93 93 GLY C C 93 172.029 172.029 171.844 0.185 19151 9738 1 13 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.907 -0.177 19151 9739 1 13 . 1 1 93 93 GLY H H 93 8.687 8.687 8.968 -0.281 19151 9740 1 13 . 1 1 94 94 ASP N N 94 119.304 119.304 121.389 -2.085 19151 9741 1 13 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.408 -0.148 19151 9742 1 13 . 1 1 94 94 ASP C C 94 176.978 176.978 176.966 0.012 19151 9743 1 13 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.372 1.235 19151 9744 1 13 . 1 1 94 94 ASP CB C 94 43.000 43.000 42.620 0.380 19151 9745 1 13 . 1 1 94 94 ASP H H 94 8.129 8.129 8.428 -0.299 19151 9746 1 13 . 1 1 95 95 SER N N 95 123.897 123.897 122.798 1.099 19151 9747 1 13 . 1 1 95 95 SER HA H 95 3.895 3.895 4.087 -0.192 19151 9748 1 13 . 1 1 95 95 SER C C 95 175.243 175.243 175.537 -0.294 19151 9749 1 13 . 1 1 95 95 SER CA C 95 60.183 60.183 59.514 0.669 19151 9750 1 13 . 1 1 95 95 SER CB C 95 61.700 61.700 62.601 -0.901 19151 9751 1 13 . 1 1 95 95 SER H H 95 8.878 8.878 9.497 -0.619 19151 9752 1 13 . 1 1 96 96 SER N N 96 119.248 119.248 117.110 2.138 19151 9753 1 13 . 1 1 96 96 SER HA H 96 4.209 4.209 4.246 -0.037 19151 9754 1 13 . 1 1 96 96 SER C C 96 173.900 173.900 175.323 -1.423 19151 9755 1 13 . 1 1 96 96 SER CA C 96 60.197 60.197 59.782 0.415 19151 9756 1 13 . 1 1 96 96 SER CB C 96 63.000 63.000 63.406 -0.406 19151 9757 1 13 . 1 1 96 96 SER H H 96 9.124 9.124 8.310 0.814 19151 9758 1 13 . 1 1 97 97 TYR N N 97 120.889 120.889 120.922 -0.033 19151 9759 1 13 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.483 0.405 19151 9760 1 13 . 1 1 97 97 TYR C C 97 175.972 175.972 177.477 -1.505 19151 9761 1 13 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.556 -2.806 19151 9762 1 13 . 1 1 97 97 TYR CB C 97 39.820 39.820 38.898 0.922 19151 9763 1 13 . 1 1 97 97 TYR H H 97 7.664 7.664 7.927 -0.263 19151 9764 1 13 . 1 1 98 98 VAL N N 98 116.952 116.952 122.372 -5.420 19151 9765 1 13 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.801 0.259 19151 9766 1 13 . 1 1 98 98 VAL C C 98 175.969 175.969 176.586 -0.617 19151 9767 1 13 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.044 -2.204 19151 9768 1 13 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.493 1.107 19151 9769 1 13 . 1 1 98 98 VAL H H 98 7.970 7.970 8.561 -0.591 19151 9770 1 13 . 1 1 99 99 ASN N N 99 118.156 118.156 117.070 1.086 19151 9771 1 13 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.933 -0.422 19151 9772 1 13 . 1 1 99 99 ASN C C 99 174.329 174.329 176.172 -1.843 19151 9773 1 13 . 1 1 99 99 ASN CA C 99 53.031 53.031 52.872 0.159 19151 9774 1 13 . 1 1 99 99 ASN CB C 99 37.238 37.238 38.438 -1.200 19151 9775 1 13 . 1 1 99 99 ASN H H 99 8.296 8.296 8.237 0.059 19151 9776 1 13 . 1 1 100 100 PHE N N 100 118.649 118.649 121.180 -2.531 19151 9777 1 13 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.005 0.410 19151 9778 1 13 . 1 1 100 100 PHE C C 100 174.400 174.400 175.123 -0.723 19151 9779 1 13 . 1 1 100 100 PHE CA C 100 58.190 58.190 62.020 -3.829 19151 9780 1 13 . 1 1 100 100 PHE CB C 100 39.679 39.679 38.727 0.952 19151 9781 1 13 . 1 1 100 100 PHE H H 100 7.855 7.855 7.991 -0.136 19151 9782 1 13 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.237 -0.652 19151 9783 1 13 . 1 1 101 101 CYS CA C 101 62.740 62.740 55.931 6.809 19151 9784 1 13 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.461 -1.461 19151 9785 1 13 . 1 1 101 101 CYS H H 101 9.240 9.240 8.006 1.234 19151 9786 1 13 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.365 -0.145 19151 9787 1 13 . 1 1 102 102 ASN CA C 102 57.200 57.200 57.863 -0.663 19151 9788 1 13 . 1 1 102 102 ASN CB C 102 38.600 38.600 37.820 0.780 19151 9789 1 13 . 1 1 102 102 ASN H H 102 8.300 8.300 8.667 -0.367 19151 9790 1 13 . 1 1 103 103 GLY C C 103 175.690 175.690 175.822 -0.132 19151 9791 1 13 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.153 0.197 19151 9792 1 13 . 1 1 104 104 GLY N N 104 106.150 106.150 109.039 -2.889 19151 9793 1 13 . 1 1 104 104 GLY C C 104 174.570 174.570 176.110 -1.540 19151 9794 1 13 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.036 1.314 19151 9795 1 13 . 1 1 104 104 GLY H H 104 7.108 7.108 7.643 -0.535 19151 9796 1 13 . 1 1 105 105 LYS N N 105 120.732 120.732 122.468 -1.736 19151 9797 1 13 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.989 -0.052 19151 9798 1 13 . 1 1 105 105 LYS C C 105 179.706 179.706 178.918 0.788 19151 9799 1 13 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.892 0.416 19151 9800 1 13 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.168 -0.371 19151 9801 1 13 . 1 1 105 105 LYS H H 105 7.708 7.708 7.447 0.261 19151 9802 1 13 . 1 1 106 106 GLN N N 106 119.087 119.087 118.113 0.974 19151 9803 1 13 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.124 0.018 19151 9804 1 13 . 1 1 106 106 GLN C C 106 179.418 179.418 178.582 0.836 19151 9805 1 13 . 1 1 106 106 GLN CA C 106 58.875 58.875 59.149 -0.274 19151 9806 1 13 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.537 0.222 19151 9807 1 13 . 1 1 106 106 GLN H H 106 8.738 8.738 8.668 0.070 19151 9808 1 13 . 1 1 107 107 PHE N N 107 123.088 123.088 118.985 4.103 19151 9809 1 13 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.382 -0.132 19151 9810 1 13 . 1 1 107 107 PHE C C 107 178.403 178.403 177.926 0.477 19151 9811 1 13 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.763 0.422 19151 9812 1 13 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.880 0.571 19151 9813 1 13 . 1 1 107 107 PHE H H 107 7.922 7.922 7.647 0.275 19151 9814 1 13 . 1 1 108 108 ASP N N 108 117.118 117.118 120.603 -3.485 19151 9815 1 13 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.647 -0.273 19151 9816 1 13 . 1 1 108 108 ASP C C 108 176.973 176.973 178.204 -1.231 19151 9817 1 13 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.465 0.964 19151 9818 1 13 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.183 2.940 19151 9819 1 13 . 1 1 108 108 ASP H H 108 8.305 8.305 8.399 -0.094 19151 9820 1 13 . 1 1 109 109 ALA N N 109 118.590 118.590 122.773 -4.183 19151 9821 1 13 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.138 -0.088 19151 9822 1 13 . 1 1 109 109 ALA C C 109 180.430 180.430 179.854 0.576 19151 9823 1 13 . 1 1 109 109 ALA CA C 109 55.196 55.196 54.899 0.297 19151 9824 1 13 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.363 -0.256 19151 9825 1 13 . 1 1 109 109 ALA H H 109 8.332 8.332 8.182 0.150 19151 9826 1 13 . 1 1 110 110 LEU N N 110 120.402 120.402 120.369 0.033 19151 9827 1 13 . 1 1 110 110 LEU HA H 110 4.085 4.085 4.071 0.014 19151 9828 1 13 . 1 1 110 110 LEU C C 110 177.801 177.801 179.030 -1.229 19151 9829 1 13 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.567 0.073 19151 9830 1 13 . 1 1 110 110 LEU CB C 110 41.756 41.756 41.094 0.662 19151 9831 1 13 . 1 1 110 110 LEU H H 110 7.868 7.868 7.511 0.357 19151 9832 1 13 . 1 1 111 111 LEU N N 111 116.945 116.945 117.090 -0.145 19151 9833 1 13 . 1 1 111 111 LEU HA H 111 3.718 3.718 4.086 -0.368 19151 9834 1 13 . 1 1 111 111 LEU C C 111 179.838 179.838 179.495 0.343 19151 9835 1 13 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.463 0.502 19151 9836 1 13 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.476 -2.616 19151 9837 1 13 . 1 1 111 111 LEU H H 111 7.704 7.704 7.485 0.219 19151 9838 1 13 . 1 1 112 112 GLN N N 112 118.484 118.484 116.027 2.457 19151 9839 1 13 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.126 0.015 19151 9840 1 13 . 1 1 112 112 GLN C C 112 181.218 181.218 177.994 3.224 19151 9841 1 13 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.639 1.327 19151 9842 1 13 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.356 0.904 19151 9843 1 13 . 1 1 112 112 GLN H H 112 8.441 8.441 7.617 0.824 19151 9844 1 13 . 1 1 113 113 GLU N N 113 122.905 122.905 117.708 5.197 19151 9845 1 13 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.159 0.022 19151 9846 1 13 . 1 1 113 113 GLU C C 113 178.001 178.001 177.226 0.775 19151 9847 1 13 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.940 1.045 19151 9848 1 13 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.573 -0.302 19151 9849 1 13 . 1 1 113 113 GLU H H 113 8.305 8.305 7.923 0.382 19151 9850 1 13 . 1 1 114 114 GLN N N 114 117.332 117.332 118.779 -1.447 19151 9851 1 13 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.393 0.202 19151 9852 1 13 . 1 1 114 114 GLN C C 114 174.538 174.538 176.968 -2.430 19151 9853 1 13 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.394 -0.977 19151 9854 1 13 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.987 -5.157 19151 9855 1 13 . 1 1 114 114 GLN H H 114 7.520 7.520 7.636 -0.116 19151 9856 1 13 . 1 1 115 115 SER N N 115 109.100 109.100 109.706 -0.606 19151 9857 1 13 . 1 1 115 115 SER HA H 115 4.200 4.200 4.471 -0.271 19151 9858 1 13 . 1 1 115 115 SER C C 115 172.302 172.302 173.866 -1.564 19151 9859 1 13 . 1 1 115 115 SER CA C 115 60.400 60.400 58.498 1.901 19151 9860 1 13 . 1 1 115 115 SER CB C 115 61.325 61.325 64.535 -3.210 19151 9861 1 13 . 1 1 115 115 SER H H 115 7.950 7.950 8.168 -0.218 19151 9862 1 13 . 1 1 116 116 ALA N N 116 121.059 121.059 125.927 -4.868 19151 9863 1 13 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.264 0.530 19151 9864 1 13 . 1 1 116 116 ALA C C 116 176.774 176.774 176.559 0.215 19151 9865 1 13 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.472 -0.782 19151 9866 1 13 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.235 1.130 19151 9867 1 13 . 1 1 116 116 ALA H H 116 7.813 7.813 7.560 0.253 19151 9868 1 13 . 1 1 117 117 GLN N N 117 118.000 118.000 119.420 -1.420 19151 9869 1 13 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.492 0.126 19151 9870 1 13 . 1 1 117 117 GLN C C 117 173.769 173.769 175.742 -1.973 19151 9871 1 13 . 1 1 117 117 GLN CA C 117 54.556 54.556 55.633 -1.077 19151 9872 1 13 . 1 1 117 117 GLN CB C 117 30.735 30.735 30.608 0.127 19151 9873 1 13 . 1 1 117 117 GLN H H 117 8.591 8.591 8.638 -0.047 19151 9874 1 13 . 1 1 118 118 ARG N N 118 127.947 127.947 121.152 6.795 19151 9875 1 13 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.130 -1.823 19151 9876 1 13 . 1 1 118 118 ARG C C 118 176.758 176.758 175.432 1.326 19151 9877 1 13 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.886 1.300 19151 9878 1 13 . 1 1 118 118 ARG CB C 118 30.310 30.310 32.797 -2.487 19151 9879 1 13 . 1 1 118 118 ARG H H 118 8.659 8.659 8.586 0.073 19151 9880 1 13 . 1 1 119 119 VAL N N 119 131.939 131.939 124.196 7.743 19151 9881 1 13 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.362 -0.249 19151 9882 1 13 . 1 1 119 119 VAL C C 119 176.775 176.775 176.083 0.692 19151 9883 1 13 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.017 1.157 19151 9884 1 13 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.746 -1.352 19151 9885 1 13 . 1 1 119 119 VAL H H 119 9.520 9.520 8.861 0.659 19151 9886 1 13 . 1 1 120 120 GLY N N 120 116.074 116.074 116.051 0.023 19151 9887 1 13 . 1 1 120 120 GLY C C 120 172.757 172.757 173.565 -0.808 19151 9888 1 13 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.509 -1.611 19151 9889 1 13 . 1 1 120 120 GLY H H 120 8.755 8.755 8.647 0.108 19151 9890 1 13 . 1 1 121 121 GLU N N 121 118.754 118.754 120.248 -1.494 19151 9891 1 13 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.844 -0.178 19151 9892 1 13 . 1 1 121 121 GLU C C 121 177.419 177.419 176.394 1.025 19151 9893 1 13 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.879 -0.388 19151 9894 1 13 . 1 1 121 121 GLU CB C 121 31.498 31.498 32.705 -1.206 19151 9895 1 13 . 1 1 121 121 GLU H H 121 8.594 8.594 8.713 -0.119 19151 9896 1 13 . 1 1 122 122 MET N N 122 122.642 122.642 122.225 0.417 19151 9897 1 13 . 1 1 122 122 MET HA H 122 4.415 4.415 4.861 -0.446 19151 9898 1 13 . 1 1 122 122 MET C C 122 175.351 175.351 175.304 0.047 19151 9899 1 13 . 1 1 122 122 MET CA C 122 57.024 57.024 55.347 1.677 19151 9900 1 13 . 1 1 122 122 MET CB C 122 34.210 34.210 33.095 1.115 19151 9901 1 13 . 1 1 122 122 MET H H 122 8.892 8.892 8.596 0.296 19151 9902 1 13 . 1 1 123 123 LEU N N 123 129.535 129.535 123.138 6.397 19151 9903 1 13 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.444 -0.094 19151 9904 1 13 . 1 1 123 123 LEU C C 123 173.124 173.124 174.197 -1.073 19151 9905 1 13 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.389 0.350 19151 9906 1 13 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.895 -1.817 19151 9907 1 13 . 1 1 123 123 LEU H H 123 7.868 7.868 7.640 0.228 19151 9908 1 13 . 1 1 124 124 LEU N N 124 127.120 127.120 126.157 0.963 19151 9909 1 13 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.762 0.293 19151 9910 1 13 . 1 1 124 124 LEU C C 124 176.379 176.379 176.172 0.207 19151 9911 1 13 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.142 0.408 19151 9912 1 13 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.624 -1.246 19151 9913 1 13 . 1 1 124 124 LEU H H 124 8.346 8.346 8.220 0.126 19151 9914 1 13 . 1 1 125 125 ILE N N 125 124.337 124.337 125.097 -0.760 19151 9915 1 13 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.253 -0.073 19151 9916 1 13 . 1 1 125 125 ILE C C 125 174.303 174.303 174.734 -0.431 19151 9917 1 13 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.850 0.250 19151 9918 1 13 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.663 -0.720 19151 9919 1 13 . 1 1 125 125 ILE H H 125 8.974 8.974 8.639 0.335 19151 9920 1 13 . 1 1 126 126 ASP N N 126 127.113 127.113 128.497 -1.384 19151 9921 1 13 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.497 -0.382 19151 9922 1 13 . 1 1 126 126 ASP C C 126 176.766 176.766 176.571 0.195 19151 9923 1 13 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.192 -0.345 19151 9924 1 13 . 1 1 126 126 ASP CB C 126 41.100 41.100 41.807 -0.707 19151 9925 1 13 . 1 1 126 126 ASP H H 126 9.397 9.397 8.905 0.492 19151 9926 1 13 . 1 1 127 127 ALA N N 127 131.178 131.178 131.618 -0.440 19151 9927 1 13 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.528 -0.212 19151 9928 1 13 . 1 1 127 127 ALA C C 127 178.530 178.530 178.893 -0.363 19151 9929 1 13 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.076 -0.229 19151 9930 1 13 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.016 -0.224 19151 9931 1 13 . 1 1 127 127 ALA H H 127 9.696 9.696 9.203 0.493 19151 9932 1 13 . 1 1 128 128 SER N N 128 112.064 112.064 112.955 -0.891 19151 9933 1 13 . 1 1 128 128 SER HA H 128 4.224 4.224 4.209 0.015 19151 9934 1 13 . 1 1 128 128 SER C C 128 175.000 175.000 175.524 -0.524 19151 9935 1 13 . 1 1 128 128 SER CA C 128 61.246 61.246 60.543 0.703 19151 9936 1 13 . 1 1 128 128 SER CB C 128 63.310 63.310 63.443 -0.133 19151 9937 1 13 . 1 1 128 128 SER H H 128 8.373 8.373 8.309 0.064 19151 9938 1 13 . 1 1 129 129 GLU N N 129 119.468 119.468 118.557 0.911 19151 9939 1 13 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.436 -0.036 19151 9940 1 13 . 1 1 129 129 GLU C C 129 175.947 175.947 175.959 -0.012 19151 9941 1 13 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.867 -0.452 19151 9942 1 13 . 1 1 129 129 GLU CB C 129 31.730 31.730 32.004 -0.274 19151 9943 1 13 . 1 1 129 129 GLU H H 129 7.267 7.267 7.596 -0.329 19151 9944 1 13 . 1 1 130 130 ASN N N 130 115.968 115.968 118.413 -2.445 19151 9945 1 13 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.126 0.040 19151 9946 1 13 . 1 1 130 130 ASN C C 130 172.000 172.000 174.002 -2.002 19151 9947 1 13 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.742 -0.519 19151 9948 1 13 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.857 -0.191 19151 9949 1 13 . 1 1 130 130 ASN H H 130 8.072 8.072 8.255 -0.183 19151 9950 1 13 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.482 0.068 19151 9951 1 13 . 1 1 131 131 PRO C C 131 176.400 176.400 176.139 0.261 19151 9952 1 13 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.848 -0.348 19151 9953 1 13 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.653 0.647 19151 9954 1 13 . 1 1 132 132 GLU N N 132 119.000 119.000 118.576 0.424 19151 9955 1 13 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.847 0.173 19151 9956 1 13 . 1 1 132 132 GLU C C 132 174.200 174.200 175.200 -1.000 19151 9957 1 13 . 1 1 132 132 GLU CA C 132 53.000 53.000 52.995 0.005 19151 9958 1 13 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.360 0.340 19151 9959 1 13 . 1 1 132 132 GLU H H 132 7.690 7.690 8.115 -0.425 19151 9960 1 13 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.216 -0.216 19151 9961 1 13 . 1 1 133 133 PRO C C 133 177.391 177.391 178.086 -0.695 19151 9962 1 13 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.240 0.229 19151 9963 1 13 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.988 0.157 19151 9964 1 13 . 1 1 134 134 GLU N N 134 122.846 122.846 118.101 4.745 19151 9965 1 13 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.252 0.968 19151 9966 1 13 . 1 1 134 134 GLU C C 134 178.385 178.385 178.733 -0.348 19151 9967 1 13 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.295 -1.703 19151 9968 1 13 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.322 -1.732 19151 9969 1 13 . 1 1 134 134 GLU H H 134 10.707 10.707 8.883 1.824 19151 9970 1 13 . 1 1 135 135 THR N N 135 113.016 113.016 111.336 1.680 19151 9971 1 13 . 1 1 135 135 THR HA H 135 4.182 4.182 4.268 -0.086 19151 9972 1 13 . 1 1 135 135 THR C C 135 176.460 176.460 175.516 0.944 19151 9973 1 13 . 1 1 135 135 THR CA C 135 64.752 64.752 64.755 -0.003 19151 9974 1 13 . 1 1 135 135 THR CB C 135 69.248 69.248 68.802 0.447 19151 9975 1 13 . 1 1 135 135 THR H H 135 8.168 8.168 8.277 -0.109 19151 9976 1 13 . 1 1 136 136 GLU N N 136 118.978 118.978 121.465 -2.487 19151 9977 1 13 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.508 0.056 19151 9978 1 13 . 1 1 136 136 GLU C C 136 178.370 178.370 178.553 -0.183 19151 9979 1 13 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.108 -1.195 19151 9980 1 13 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.810 1.290 19151 9981 1 13 . 1 1 136 136 GLU H H 136 7.680 7.680 7.698 -0.018 19151 9982 1 13 . 1 1 137 137 SER N N 137 116.501 116.501 115.738 0.763 19151 9983 1 13 . 1 1 137 137 SER HA H 137 4.033 4.033 4.241 -0.208 19151 9984 1 13 . 1 1 137 137 SER C C 137 175.670 175.670 176.614 -0.944 19151 9985 1 13 . 1 1 137 137 SER CA C 137 62.330 62.330 61.880 0.450 19151 9986 1 13 . 1 1 137 137 SER CB C 137 61.380 61.380 63.191 -1.811 19151 9987 1 13 . 1 1 137 137 SER H H 137 8.824 8.824 8.401 0.423 19151 9988 1 13 . 1 1 138 138 ASN N N 138 123.517 123.517 121.734 1.783 19151 9989 1 13 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.671 -0.080 19151 9990 1 13 . 1 1 138 138 ASN C C 138 175.700 175.700 175.120 0.580 19151 9991 1 13 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.233 0.253 19151 9992 1 13 . 1 1 138 138 ASN CB C 138 34.253 34.253 36.698 -2.445 19151 9993 1 13 . 1 1 138 138 ASN H H 138 8.564 8.564 8.287 0.277 19151 9994 1 13 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.338 0.117 19151 9995 1 13 . 1 1 139 139 PRO C C 139 180.033 180.033 178.846 1.187 19151 9996 1 13 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.291 0.319 19151 9997 1 13 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.335 -0.799 19151 9998 1 13 . 1 1 140 140 TRP N N 140 119.700 119.700 121.636 -1.936 19151 9999 1 13 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.412 -0.079 19151 10000 1 13 . 1 1 140 140 TRP C C 140 179.195 179.195 177.742 1.453 19151 10001 1 13 . 1 1 140 140 TRP CA C 140 62.180 62.180 62.190 -0.010 19151 10002 1 13 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.561 1.190 19151 10003 1 13 . 1 1 140 140 TRP H H 140 7.057 7.057 7.618 -0.561 19151 10004 1 13 . 1 1 141 141 VAL N N 141 122.879 122.879 119.772 3.107 19151 10005 1 13 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.745 -0.009 19151 10006 1 13 . 1 1 141 141 VAL C C 141 177.416 177.416 178.639 -1.223 19151 10007 1 13 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.579 -0.863 19151 10008 1 13 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.544 -0.112 19151 10009 1 13 . 1 1 141 141 VAL H H 141 9.629 9.629 8.818 0.811 19151 10010 1 13 . 1 1 142 142 GLU N N 142 119.965 119.965 119.597 0.368 19151 10011 1 13 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.094 -0.362 19151 10012 1 13 . 1 1 142 142 GLU C C 142 178.800 178.800 178.432 0.368 19151 10013 1 13 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.143 0.189 19151 10014 1 13 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.564 -0.004 19151 10015 1 13 . 1 1 142 142 GLU H H 142 8.551 8.551 8.390 0.161 19151 10016 1 13 . 1 1 143 143 HIS N N 143 115.364 115.364 119.470 -4.106 19151 10017 1 13 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.358 -0.068 19151 10018 1 13 . 1 1 143 143 HIS C C 143 177.840 177.840 176.643 1.197 19151 10019 1 13 . 1 1 143 143 HIS CA C 143 59.363 59.363 59.087 0.277 19151 10020 1 13 . 1 1 143 143 HIS CB C 143 29.362 29.362 30.195 -0.833 19151 10021 1 13 . 1 1 143 143 HIS H H 143 7.380 7.380 7.727 -0.347 19151 10022 1 13 . 1 1 144 144 TRP N N 144 126.680 126.680 121.732 4.948 19151 10023 1 13 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.765 -0.431 19151 10024 1 13 . 1 1 144 144 TRP C C 144 178.200 178.200 178.484 -0.284 19151 10025 1 13 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.816 2.143 19151 10026 1 13 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.451 0.074 19151 10027 1 13 . 1 1 144 144 TRP H H 144 9.215 9.215 8.581 0.634 19151 10028 1 13 . 1 1 145 145 GLY N N 145 100.130 100.130 105.372 -5.242 19151 10029 1 13 . 1 1 145 145 GLY C C 145 177.391 177.391 175.379 2.012 19151 10030 1 13 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.258 -0.498 19151 10031 1 13 . 1 1 145 145 GLY H H 145 8.834 8.834 8.622 0.212 19151 10032 1 13 . 1 1 146 146 THR N N 146 110.831 110.831 114.071 -3.240 19151 10033 1 13 . 1 1 146 146 THR HA H 146 4.319 4.319 4.014 0.305 19151 10034 1 13 . 1 1 146 146 THR C C 146 175.574 175.574 175.327 0.247 19151 10035 1 13 . 1 1 146 146 THR CA C 146 63.260 63.260 64.336 -1.076 19151 10036 1 13 . 1 1 146 146 THR CB C 146 69.660 69.660 68.444 1.216 19151 10037 1 13 . 1 1 146 146 THR H H 146 7.594 7.594 7.491 0.103 19151 10038 1 13 . 1 1 147 147 LEU N N 147 120.678 120.678 119.248 1.430 19151 10039 1 13 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.110 -0.052 19151 10040 1 13 . 1 1 147 147 LEU C C 147 177.176 177.176 176.036 1.140 19151 10041 1 13 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.533 -1.219 19151 10042 1 13 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.030 0.198 19151 10043 1 13 . 1 1 147 147 LEU H H 147 7.458 7.458 7.489 -0.031 19151 10044 1 13 . 1 1 148 148 LEU N N 148 117.062 117.062 118.178 -1.116 19151 10045 1 13 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.783 -0.065 19151 10046 1 13 . 1 1 148 148 LEU C C 148 175.570 175.570 177.207 -1.637 19151 10047 1 13 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.546 -0.595 19151 10048 1 13 . 1 1 148 148 LEU CB C 148 39.600 39.600 40.439 -0.839 19151 10049 1 13 . 1 1 148 148 LEU H H 148 6.482 6.482 6.928 -0.446 19151 10050 1 14 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.629 -0.400 19151 10051 1 14 . 1 1 2 2 ALA C C 2 173.315 173.315 174.698 -1.383 19151 10052 1 14 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.439 0.141 19151 10053 1 14 . 1 1 2 2 ALA CB C 2 20.223 20.223 22.315 -2.092 19151 10054 1 14 . 1 1 3 3 GLU N N 3 121.874 121.874 120.106 1.768 19151 10055 1 14 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.378 -0.104 19151 10056 1 14 . 1 1 3 3 GLU C C 3 174.545 174.545 175.154 -0.609 19151 10057 1 14 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.331 0.519 19151 10058 1 14 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.267 -0.547 19151 10059 1 14 . 1 1 3 3 GLU H H 3 8.696 8.696 8.437 0.259 19151 10060 1 14 . 1 1 4 4 ILE N N 4 120.672 120.672 125.429 -4.757 19151 10061 1 14 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.751 0.358 19151 10062 1 14 . 1 1 4 4 ILE C C 4 175.463 175.463 174.972 0.491 19151 10063 1 14 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.171 -0.338 19151 10064 1 14 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.152 3.518 19151 10065 1 14 . 1 1 4 4 ILE H H 4 8.860 8.860 9.090 -0.230 19151 10066 1 14 . 1 1 5 5 GLY N N 5 119.310 119.310 115.042 4.268 19151 10067 1 14 . 1 1 5 5 GLY C C 5 171.260 171.260 172.947 -1.687 19151 10068 1 14 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.586 0.234 19151 10069 1 14 . 1 1 5 5 GLY H H 5 8.469 8.469 8.378 0.091 19151 10070 1 14 . 1 1 6 6 ILE N N 6 126.915 126.915 126.356 0.559 19151 10071 1 14 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.044 0.146 19151 10072 1 14 . 1 1 6 6 ILE C C 6 173.901 173.901 174.441 -0.540 19151 10073 1 14 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.706 -0.706 19151 10074 1 14 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.646 -1.646 19151 10075 1 14 . 1 1 6 6 ILE H H 6 9.056 9.056 9.174 -0.118 19151 10076 1 14 . 1 1 7 7 PHE N N 7 127.354 127.354 127.708 -0.354 19151 10077 1 14 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.277 -0.765 19151 10078 1 14 . 1 1 7 7 PHE C C 7 174.230 174.230 174.348 -0.118 19151 10079 1 14 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.487 1.923 19151 10080 1 14 . 1 1 7 7 PHE CB C 7 41.728 41.728 41.277 0.451 19151 10081 1 14 . 1 1 7 7 PHE H H 7 8.960 8.960 9.587 -0.627 19151 10082 1 14 . 1 1 8 8 VAL N N 8 127.270 127.270 125.168 2.102 19151 10083 1 14 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.322 -0.263 19151 10084 1 14 . 1 1 8 8 VAL C C 8 175.450 175.450 174.348 1.102 19151 10085 1 14 . 1 1 8 8 VAL CA C 8 61.200 61.200 59.652 1.548 19151 10086 1 14 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.865 -0.428 19151 10087 1 14 . 1 1 8 8 VAL H H 8 8.581 8.581 8.060 0.521 19151 10088 1 14 . 1 1 9 9 GLY N N 9 115.000 115.000 116.447 -1.447 19151 10089 1 14 . 1 1 9 9 GLY C C 9 173.150 173.150 172.231 0.919 19151 10090 1 14 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.343 0.658 19151 10091 1 14 . 1 1 9 9 GLY H H 9 9.393 9.393 8.929 0.464 19151 10092 1 14 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.672 0.023 19151 10093 1 14 . 1 1 12 12 TYR C C 12 176.560 176.560 175.002 1.558 19151 10094 1 14 . 1 1 12 12 TYR CA C 12 57.750 57.750 57.965 -0.215 19151 10095 1 14 . 1 1 12 12 TYR CB C 12 38.000 38.000 40.963 -2.963 19151 10096 1 14 . 1 1 13 13 GLY N N 13 109.870 109.870 115.875 -6.005 19151 10097 1 14 . 1 1 13 13 GLY C C 13 175.930 175.930 173.961 1.969 19151 10098 1 14 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.666 1.334 19151 10099 1 14 . 1 1 13 13 GLY H H 13 8.500 8.500 7.644 0.856 19151 10100 1 14 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.163 0.067 19151 10101 1 14 . 1 1 17 17 LEU C C 17 179.210 179.210 178.476 0.734 19151 10102 1 14 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.912 0.488 19151 10103 1 14 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.480 -0.180 19151 10104 1 14 . 1 1 18 18 VAL N N 18 117.231 117.231 117.995 -0.764 19151 10105 1 14 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.630 -0.307 19151 10106 1 14 . 1 1 18 18 VAL C C 18 178.460 178.460 177.941 0.519 19151 10107 1 14 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.550 0.316 19151 10108 1 14 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.962 0.498 19151 10109 1 14 . 1 1 18 18 VAL H H 18 7.645 7.645 7.655 -0.010 19151 10110 1 14 . 1 1 19 19 ALA N N 19 121.820 121.820 121.635 0.185 19151 10111 1 14 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.982 -0.166 19151 10112 1 14 . 1 1 19 19 ALA C C 19 178.180 178.180 179.489 -1.309 19151 10113 1 14 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.544 0.032 19151 10114 1 14 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.024 1.976 19151 10115 1 14 . 1 1 19 19 ALA H H 19 8.010 8.010 7.748 0.262 19151 10116 1 14 . 1 1 20 20 GLU N N 20 118.960 118.960 118.326 0.634 19151 10117 1 14 . 1 1 20 20 GLU HA H 20 4.016 4.016 3.978 0.038 19151 10118 1 14 . 1 1 20 20 GLU C C 20 180.950 180.950 179.404 1.546 19151 10119 1 14 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.331 0.335 19151 10120 1 14 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.268 0.032 19151 10121 1 14 . 1 1 20 20 GLU H H 20 8.700 8.700 7.921 0.779 19151 10122 1 14 . 1 1 21 21 GLU N N 21 121.371 121.371 119.702 1.669 19151 10123 1 14 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.129 -0.085 19151 10124 1 14 . 1 1 21 21 GLU C C 21 179.419 179.419 178.866 0.553 19151 10125 1 14 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.168 0.142 19151 10126 1 14 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.367 0.194 19151 10127 1 14 . 1 1 21 21 GLU H H 21 8.632 8.632 7.902 0.730 19151 10128 1 14 . 1 1 22 22 ALA N N 22 121.329 121.329 122.982 -1.653 19151 10129 1 14 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.080 -0.022 19151 10130 1 14 . 1 1 22 22 ALA C C 22 178.823 178.823 179.388 -0.565 19151 10131 1 14 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.616 -0.939 19151 10132 1 14 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.161 -0.518 19151 10133 1 14 . 1 1 22 22 ALA H H 22 8.182 8.182 8.603 -0.421 19151 10134 1 14 . 1 1 23 23 GLU N N 23 119.035 119.035 119.120 -0.085 19151 10135 1 14 . 1 1 23 23 GLU HA H 23 3.404 3.404 3.992 -0.588 19151 10136 1 14 . 1 1 23 23 GLU C C 23 178.375 178.375 178.544 -0.169 19151 10137 1 14 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.741 0.567 19151 10138 1 14 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.619 -0.689 19151 10139 1 14 . 1 1 23 23 GLU H H 23 8.387 8.387 8.459 -0.072 19151 10140 1 14 . 1 1 24 24 ALA N N 24 122.207 122.207 121.918 0.289 19151 10141 1 14 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.110 -0.080 19151 10142 1 14 . 1 1 24 24 ALA C C 24 181.132 181.132 179.862 1.270 19151 10143 1 14 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.102 0.385 19151 10144 1 14 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.639 -0.639 19151 10145 1 14 . 1 1 24 24 ALA H H 24 7.535 7.535 7.541 -0.006 19151 10146 1 14 . 1 1 25 25 ILE N N 25 121.059 121.059 120.146 0.913 19151 10147 1 14 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.736 -0.072 19151 10148 1 14 . 1 1 25 25 ILE C C 25 178.419 178.419 177.947 0.472 19151 10149 1 14 . 1 1 25 25 ILE CA C 25 65.108 65.108 65.990 -0.882 19151 10150 1 14 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.135 0.828 19151 10151 1 14 . 1 1 25 25 ILE H H 25 7.800 7.800 8.584 -0.784 19151 10152 1 14 . 1 1 26 26 LEU N N 26 119.307 119.307 120.555 -1.248 19151 10153 1 14 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.175 0.001 19151 10154 1 14 . 1 1 26 26 LEU C C 26 179.863 179.863 179.665 0.198 19151 10155 1 14 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.299 -0.353 19151 10156 1 14 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.227 -0.087 19151 10157 1 14 . 1 1 26 26 LEU H H 26 8.509 8.509 8.589 -0.080 19151 10158 1 14 . 1 1 27 27 THR N N 27 117.830 117.830 116.271 1.559 19151 10159 1 14 . 1 1 27 27 THR HA H 27 4.524 4.524 4.336 0.188 19151 10160 1 14 . 1 1 27 27 THR C C 27 179.027 179.027 176.272 2.755 19151 10161 1 14 . 1 1 27 27 THR CA C 27 66.000 66.000 66.616 -0.616 19151 10162 1 14 . 1 1 27 27 THR CB C 27 68.600 68.600 68.546 0.054 19151 10163 1 14 . 1 1 27 27 THR H H 27 8.796 8.796 8.386 0.410 19151 10164 1 14 . 1 1 28 28 ALA N N 28 126.313 126.313 122.231 4.082 19151 10165 1 14 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.160 0.045 19151 10166 1 14 . 1 1 28 28 ALA C C 28 179.360 179.360 179.715 -0.355 19151 10167 1 14 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.328 0.672 19151 10168 1 14 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.299 -0.649 19151 10169 1 14 . 1 1 28 28 ALA H H 28 7.832 7.832 7.913 -0.081 19151 10170 1 14 . 1 1 29 29 GLN N N 29 115.527 115.527 115.245 0.282 19151 10171 1 14 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.160 -0.033 19151 10172 1 14 . 1 1 29 29 GLN C C 29 176.547 176.547 177.053 -0.506 19151 10173 1 14 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.082 -0.519 19151 10174 1 14 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.655 -0.245 19151 10175 1 14 . 1 1 29 29 GLN H H 29 7.353 7.353 8.405 -1.052 19151 10176 1 14 . 1 1 30 30 GLY N N 30 105.961 105.961 105.901 0.060 19151 10177 1 14 . 1 1 30 30 GLY C C 30 174.785 174.785 172.979 1.806 19151 10178 1 14 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.644 -0.144 19151 10179 1 14 . 1 1 30 30 GLY H H 30 7.923 7.923 7.610 0.313 19151 10180 1 14 . 1 1 31 31 HIS N N 31 119.471 119.471 116.884 2.587 19151 10181 1 14 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.945 -0.110 19151 10182 1 14 . 1 1 31 31 HIS C C 31 174.665 174.665 173.216 1.449 19151 10183 1 14 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.405 1.437 19151 10184 1 14 . 1 1 31 31 HIS CB C 31 32.000 32.000 32.864 -0.864 19151 10185 1 14 . 1 1 31 31 HIS H H 31 7.558 7.558 8.133 -0.575 19151 10186 1 14 . 1 1 32 32 LYS N N 32 121.854 121.854 122.106 -0.252 19151 10187 1 14 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.527 0.196 19151 10188 1 14 . 1 1 32 32 LYS C C 32 174.466 174.466 174.819 -0.353 19151 10189 1 14 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.687 0.178 19151 10190 1 14 . 1 1 32 32 LYS CB C 32 32.960 32.960 31.625 1.335 19151 10191 1 14 . 1 1 32 32 LYS H H 32 8.665 8.665 8.756 -0.091 19151 10192 1 14 . 1 1 33 33 ALA N N 33 130.188 130.188 129.148 1.040 19151 10193 1 14 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.597 0.221 19151 10194 1 14 . 1 1 33 33 ALA C C 33 175.567 175.567 176.928 -1.361 19151 10195 1 14 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.667 -0.691 19151 10196 1 14 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.116 1.181 19151 10197 1 14 . 1 1 33 33 ALA H H 33 8.837 8.837 7.917 0.920 19151 10198 1 14 . 1 1 34 34 THR N N 34 117.164 117.164 118.166 -1.002 19151 10199 1 14 . 1 1 34 34 THR HA H 34 4.359 4.359 4.709 -0.350 19151 10200 1 14 . 1 1 34 34 THR C C 34 171.315 171.315 173.472 -2.157 19151 10201 1 14 . 1 1 34 34 THR CA C 34 61.840 61.840 61.551 0.289 19151 10202 1 14 . 1 1 34 34 THR CB C 34 71.800 71.800 72.563 -0.763 19151 10203 1 14 . 1 1 34 34 THR H H 34 7.826 7.826 8.837 -1.011 19151 10204 1 14 . 1 1 35 35 VAL N N 35 126.650 126.650 124.562 2.088 19151 10205 1 14 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.257 -0.074 19151 10206 1 14 . 1 1 35 35 VAL C C 35 174.675 174.675 175.011 -0.336 19151 10207 1 14 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.936 -0.008 19151 10208 1 14 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.604 0.046 19151 10209 1 14 . 1 1 35 35 VAL H H 35 8.496 8.496 8.610 -0.114 19151 10210 1 14 . 1 1 36 36 PHE N N 36 127.630 127.630 126.723 0.907 19151 10211 1 14 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.715 -0.164 19151 10212 1 14 . 1 1 36 36 PHE C C 36 174.347 174.347 174.311 0.036 19151 10213 1 14 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.457 1.025 19151 10214 1 14 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.612 -0.447 19151 10215 1 14 . 1 1 36 36 PHE H H 36 9.164 9.164 9.111 0.053 19151 10216 1 14 . 1 1 37 37 GLU N N 37 123.516 123.516 123.801 -0.285 19151 10217 1 14 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.425 0.045 19151 10218 1 14 . 1 1 37 37 GLU C C 37 175.954 175.954 176.232 -0.278 19151 10219 1 14 . 1 1 37 37 GLU CA C 37 55.719 55.719 55.951 -0.232 19151 10220 1 14 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.863 0.597 19151 10221 1 14 . 1 1 37 37 GLU H H 37 8.455 8.455 8.671 -0.216 19151 10222 1 14 . 1 1 38 38 ASP N N 38 120.395 120.395 122.230 -1.835 19151 10223 1 14 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.391 0.442 19151 10224 1 14 . 1 1 38 38 ASP C C 38 173.920 173.920 174.633 -0.713 19151 10225 1 14 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.226 0.251 19151 10226 1 14 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.756 -0.152 19151 10227 1 14 . 1 1 38 38 ASP H H 38 9.602 9.602 8.689 0.913 19151 10228 1 14 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.615 0.065 19151 10229 1 14 . 1 1 39 39 PRO C C 39 176.274 176.274 176.400 -0.126 19151 10230 1 14 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.116 -0.132 19151 10231 1 14 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.020 1.380 19151 10232 1 14 . 1 1 40 40 GLU N N 40 119.026 119.026 120.487 -1.461 19151 10233 1 14 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.642 0.086 19151 10234 1 14 . 1 1 40 40 GLU C C 40 177.827 177.827 178.454 -0.627 19151 10235 1 14 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.117 -0.147 19151 10236 1 14 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.268 2.132 19151 10237 1 14 . 1 1 40 40 GLU H H 40 9.178 9.178 8.949 0.229 19151 10238 1 14 . 1 1 41 41 LEU N N 41 123.708 123.708 123.698 0.010 19151 10239 1 14 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.251 -0.357 19151 10240 1 14 . 1 1 41 41 LEU C C 41 178.730 178.730 177.543 1.187 19151 10241 1 14 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.481 0.926 19151 10242 1 14 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.714 -0.061 19151 10243 1 14 . 1 1 41 41 LEU H H 41 9.160 9.160 8.659 0.501 19151 10244 1 14 . 1 1 42 42 SER N N 42 110.500 110.500 113.820 -3.320 19151 10245 1 14 . 1 1 42 42 SER HA H 42 4.010 4.010 4.243 -0.233 19151 10246 1 14 . 1 1 42 42 SER C C 42 176.300 176.300 175.183 1.117 19151 10247 1 14 . 1 1 42 42 SER CA C 42 61.600 61.600 60.813 0.787 19151 10248 1 14 . 1 1 42 42 SER CB C 42 62.140 62.140 62.886 -0.746 19151 10249 1 14 . 1 1 42 42 SER H H 42 8.415 8.415 8.531 -0.116 19151 10250 1 14 . 1 1 43 43 ASP N N 43 119.770 119.770 120.763 -0.993 19151 10251 1 14 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.632 -0.175 19151 10252 1 14 . 1 1 43 43 ASP C C 43 176.150 176.150 176.283 -0.133 19151 10253 1 14 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.727 1.023 19151 10254 1 14 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.937 1.764 19151 10255 1 14 . 1 1 43 43 ASP H H 43 7.690 7.690 8.064 -0.374 19151 10256 1 14 . 1 1 44 44 TRP N N 44 118.500 118.500 121.177 -2.677 19151 10257 1 14 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.506 -0.296 19151 10258 1 14 . 1 1 44 44 TRP C C 44 177.150 177.150 177.660 -0.510 19151 10259 1 14 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.388 0.999 19151 10260 1 14 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.428 -0.118 19151 10261 1 14 . 1 1 44 44 TRP H H 44 7.464 7.464 7.327 0.137 19151 10262 1 14 . 1 1 45 45 LEU N N 45 114.100 114.100 120.709 -6.609 19151 10263 1 14 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.054 0.121 19151 10264 1 14 . 1 1 45 45 LEU C C 45 176.300 176.300 175.790 0.510 19151 10265 1 14 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.175 -0.615 19151 10266 1 14 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.374 -0.154 19151 10267 1 14 . 1 1 45 45 LEU H H 45 7.550 7.550 8.321 -0.771 19151 10268 1 14 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.170 0.210 19151 10269 1 14 . 1 1 46 46 PRO C C 46 176.799 176.799 176.874 -0.075 19151 10270 1 14 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.789 0.498 19151 10271 1 14 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.258 0.342 19151 10272 1 14 . 1 1 47 47 TYR N N 47 113.790 113.790 114.278 -0.488 19151 10273 1 14 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.591 -0.471 19151 10274 1 14 . 1 1 47 47 TYR C C 47 175.730 175.730 177.668 -1.938 19151 10275 1 14 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.236 1.964 19151 10276 1 14 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.824 0.192 19151 10277 1 14 . 1 1 47 47 TYR H H 47 8.291 8.291 8.061 0.230 19151 10278 1 14 . 1 1 48 48 GLN N N 48 116.524 116.524 120.038 -3.514 19151 10279 1 14 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.946 -0.061 19151 10280 1 14 . 1 1 48 48 GLN C C 48 174.381 174.381 175.970 -1.589 19151 10281 1 14 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.599 0.227 19151 10282 1 14 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.749 2.251 19151 10283 1 14 . 1 1 48 48 GLN H H 48 7.300 7.300 7.531 -0.231 19151 10284 1 14 . 1 1 49 49 ASP N N 49 114.657 114.657 112.342 2.315 19151 10285 1 14 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.615 0.072 19151 10286 1 14 . 1 1 49 49 ASP C C 49 176.307 176.307 175.912 0.395 19151 10287 1 14 . 1 1 49 49 ASP CA C 49 51.735 51.735 54.009 -2.274 19151 10288 1 14 . 1 1 49 49 ASP CB C 49 40.200 40.200 40.861 -0.661 19151 10289 1 14 . 1 1 49 49 ASP H H 49 7.854 7.854 8.414 -0.560 19151 10290 1 14 . 1 1 50 50 LYS N N 50 123.514 123.514 119.515 3.999 19151 10291 1 14 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.548 0.042 19151 10292 1 14 . 1 1 50 50 LYS C C 50 172.964 172.964 175.286 -2.322 19151 10293 1 14 . 1 1 50 50 LYS CA C 50 54.693 54.693 54.639 0.054 19151 10294 1 14 . 1 1 50 50 LYS CB C 50 33.500 33.500 34.785 -1.285 19151 10295 1 14 . 1 1 50 50 LYS H H 50 7.833 7.833 7.441 0.392 19151 10296 1 14 . 1 1 51 51 TYR N N 51 118.375 118.375 115.624 2.751 19151 10297 1 14 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.708 0.347 19151 10298 1 14 . 1 1 51 51 TYR C C 51 175.875 175.875 176.473 -0.598 19151 10299 1 14 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.463 0.958 19151 10300 1 14 . 1 1 51 51 TYR CB C 51 42.477 42.477 40.759 1.718 19151 10301 1 14 . 1 1 51 51 TYR H H 51 7.745 7.745 8.113 -0.368 19151 10302 1 14 . 1 1 52 52 VAL N N 52 112.527 112.527 114.239 -1.712 19151 10303 1 14 . 1 1 52 52 VAL HA H 52 5.500 5.500 5.051 0.449 19151 10304 1 14 . 1 1 52 52 VAL C C 52 173.910 173.910 174.201 -0.291 19151 10305 1 14 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.202 -1.506 19151 10306 1 14 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.566 0.926 19151 10307 1 14 . 1 1 52 52 VAL H H 52 8.673 8.673 8.320 0.353 19151 10308 1 14 . 1 1 53 53 LEU N N 53 124.294 124.294 124.282 0.012 19151 10309 1 14 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.157 -0.257 19151 10310 1 14 . 1 1 53 53 LEU C C 53 175.070 175.070 174.393 0.677 19151 10311 1 14 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.711 -1.145 19151 10312 1 14 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.507 -1.277 19151 10313 1 14 . 1 1 53 53 LEU H H 53 9.137 9.137 9.201 -0.064 19151 10314 1 14 . 1 1 54 54 VAL N N 54 127.850 127.850 128.331 -0.481 19151 10315 1 14 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.710 -0.200 19151 10316 1 14 . 1 1 54 54 VAL C C 54 174.030 174.030 174.385 -0.355 19151 10317 1 14 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.703 0.123 19151 10318 1 14 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.043 -0.352 19151 10319 1 14 . 1 1 54 54 VAL H H 54 8.619 8.619 9.052 -0.433 19151 10320 1 14 . 1 1 55 55 VAL N N 55 127.181 127.181 128.881 -1.700 19151 10321 1 14 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.858 0.227 19151 10322 1 14 . 1 1 55 55 VAL C C 55 174.942 174.942 174.636 0.306 19151 10323 1 14 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.472 -0.403 19151 10324 1 14 . 1 1 55 55 VAL CB C 55 33.222 33.222 32.616 0.606 19151 10325 1 14 . 1 1 55 55 VAL H H 55 8.578 8.578 8.835 -0.257 19151 10326 1 14 . 1 1 56 56 THR N N 56 117.420 117.420 123.396 -5.976 19151 10327 1 14 . 1 1 56 56 THR HA H 56 5.590 5.590 5.213 0.377 19151 10328 1 14 . 1 1 56 56 THR C C 56 172.640 172.640 173.140 -0.500 19151 10329 1 14 . 1 1 56 56 THR CA C 56 59.359 59.359 60.884 -1.525 19151 10330 1 14 . 1 1 56 56 THR CB C 56 70.715 70.715 70.871 -0.156 19151 10331 1 14 . 1 1 56 56 THR H H 56 8.710 8.710 9.121 -0.411 19151 10332 1 14 . 1 1 57 57 SER HA H 57 5.250 5.250 5.313 -0.063 19151 10333 1 14 . 1 1 57 57 SER CA C 57 57.730 57.730 57.308 0.422 19151 10334 1 14 . 1 1 57 57 SER CB C 57 64.500 64.500 65.458 -0.958 19151 10335 1 14 . 1 1 57 57 SER H H 57 8.075 8.075 8.910 -0.835 19151 10336 1 14 . 1 1 58 58 THR H H 58 7.900 7.900 8.672 -0.772 19151 10337 1 14 . 1 1 59 59 THR HA H 59 4.900 4.900 4.018 0.882 19151 10338 1 14 . 1 1 59 59 THR CA C 59 61.200 61.200 66.203 -5.003 19151 10339 1 14 . 1 1 59 59 THR CB C 59 73.400 73.400 69.125 4.275 19151 10340 1 14 . 1 1 59 59 THR H H 59 9.230 9.230 7.518 1.712 19151 10341 1 14 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.629 0.871 19151 10342 1 14 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.069 0.337 19151 10343 1 14 . 1 1 61 61 GLN C C 61 175.950 175.950 176.498 -0.548 19151 10344 1 14 . 1 1 61 61 GLN CA C 61 55.350 55.350 57.218 -1.868 19151 10345 1 14 . 1 1 61 61 GLN CB C 61 29.160 29.160 28.759 0.401 19151 10346 1 14 . 1 1 62 62 GLY N N 62 108.420 108.420 105.284 3.136 19151 10347 1 14 . 1 1 62 62 GLY C C 62 173.134 173.134 173.197 -0.063 19151 10348 1 14 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.584 1.200 19151 10349 1 14 . 1 1 62 62 GLY H H 62 8.073 8.073 8.034 0.039 19151 10350 1 14 . 1 1 63 63 ASP N N 63 118.400 118.400 120.312 -1.912 19151 10351 1 14 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.791 -0.011 19151 10352 1 14 . 1 1 63 63 ASP CA C 63 53.296 53.296 53.606 -0.310 19151 10353 1 14 . 1 1 63 63 ASP CB C 63 42.740 42.740 43.078 -0.338 19151 10354 1 14 . 1 1 63 63 ASP H H 63 7.248 7.248 7.909 -0.661 19151 10355 1 14 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.297 0.103 19151 10356 1 14 . 1 1 64 64 LEU CA C 64 53.150 53.150 52.945 0.205 19151 10357 1 14 . 1 1 64 64 LEU CB C 64 41.687 41.687 41.817 -0.130 19151 10358 1 14 . 1 1 64 64 LEU H H 64 8.445 8.445 8.135 0.310 19151 10359 1 14 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.650 -0.357 19151 10360 1 14 . 1 1 65 65 PRO CA C 65 62.344 62.344 61.896 0.448 19151 10361 1 14 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.853 -0.373 19151 10362 1 14 . 1 1 66 66 ASP N N 66 121.200 121.200 120.430 0.770 19151 10363 1 14 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.391 -0.131 19151 10364 1 14 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.783 0.847 19151 10365 1 14 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.438 0.362 19151 10366 1 14 . 1 1 66 66 ASP H H 66 8.605 8.605 8.795 -0.190 19151 10367 1 14 . 1 1 67 67 SER HA H 67 4.292 4.292 4.415 -0.123 19151 10368 1 14 . 1 1 67 67 SER C C 67 175.650 175.650 175.411 0.239 19151 10369 1 14 . 1 1 67 67 SER CA C 67 60.500 60.500 60.502 -0.002 19151 10370 1 14 . 1 1 67 67 SER CB C 67 63.530 63.530 63.978 -0.448 19151 10371 1 14 . 1 1 68 68 ILE N N 68 120.550 120.550 119.529 1.021 19151 10372 1 14 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.397 0.713 19151 10373 1 14 . 1 1 68 68 ILE C C 68 174.713 174.713 176.343 -1.630 19151 10374 1 14 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.963 -0.563 19151 10375 1 14 . 1 1 68 68 ILE CB C 68 43.240 43.240 38.872 4.368 19151 10376 1 14 . 1 1 68 68 ILE H H 68 7.870 7.870 7.745 0.125 19151 10377 1 14 . 1 1 69 69 VAL N N 69 125.740 125.740 123.747 1.993 19151 10378 1 14 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.743 0.002 19151 10379 1 14 . 1 1 69 69 VAL C C 69 174.500 174.500 174.786 -0.286 19151 10380 1 14 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.577 -1.027 19151 10381 1 14 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.134 0.996 19151 10382 1 14 . 1 1 69 69 VAL H H 69 7.428 7.428 8.298 -0.870 19151 10383 1 14 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.296 -0.004 19151 10384 1 14 . 1 1 70 70 PRO C C 70 180.820 180.820 179.082 1.738 19151 10385 1 14 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.148 0.322 19151 10386 1 14 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.245 -0.588 19151 10387 1 14 . 1 1 71 71 LEU N N 71 119.467 119.467 120.390 -0.923 19151 10388 1 14 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.007 -0.162 19151 10389 1 14 . 1 1 71 71 LEU C C 71 176.489 176.489 178.126 -1.637 19151 10390 1 14 . 1 1 71 71 LEU CA C 71 58.207 58.207 58.182 0.025 19151 10391 1 14 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.785 -0.299 19151 10392 1 14 . 1 1 71 71 LEU H H 71 7.918 7.918 7.410 0.508 19151 10393 1 14 . 1 1 72 72 PHE N N 72 119.361 119.361 119.233 0.128 19151 10394 1 14 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.325 -0.180 19151 10395 1 14 . 1 1 72 72 PHE C C 72 175.968 175.968 177.166 -1.198 19151 10396 1 14 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.678 0.143 19151 10397 1 14 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.623 0.924 19151 10398 1 14 . 1 1 72 72 PHE H H 72 7.903 7.903 8.567 -0.664 19151 10399 1 14 . 1 1 73 73 GLN N N 73 116.100 116.100 116.878 -0.778 19151 10400 1 14 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.803 -0.276 19151 10401 1 14 . 1 1 73 73 GLN C C 73 177.871 177.871 178.726 -0.855 19151 10402 1 14 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.844 -0.704 19151 10403 1 14 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.154 -0.007 19151 10404 1 14 . 1 1 73 73 GLN H H 73 9.042 9.042 8.836 0.206 19151 10405 1 14 . 1 1 74 74 GLY N N 74 107.110 107.110 108.140 -1.030 19151 10406 1 14 . 1 1 74 74 GLY C C 74 175.894 175.894 176.455 -0.561 19151 10407 1 14 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.730 0.550 19151 10408 1 14 . 1 1 74 74 GLY H H 74 8.045 8.045 8.140 -0.095 19151 10409 1 14 . 1 1 75 75 ILE N N 75 123.629 123.629 122.849 0.780 19151 10410 1 14 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.361 -0.311 19151 10411 1 14 . 1 1 75 75 ILE C C 75 178.622 178.622 177.060 1.562 19151 10412 1 14 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.829 0.428 19151 10413 1 14 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.406 0.562 19151 10414 1 14 . 1 1 75 75 ILE H H 75 8.174 8.174 8.128 0.046 19151 10415 1 14 . 1 1 76 76 LYS N N 76 119.363 119.363 118.432 0.931 19151 10416 1 14 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.796 -0.491 19151 10417 1 14 . 1 1 76 76 LYS C C 76 177.909 177.909 178.201 -0.292 19151 10418 1 14 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.215 0.490 19151 10419 1 14 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.971 0.379 19151 10420 1 14 . 1 1 76 76 LYS H H 76 7.600 7.600 7.468 0.132 19151 10421 1 14 . 1 1 77 77 ASP N N 77 115.190 115.190 117.538 -2.348 19151 10422 1 14 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.610 -0.128 19151 10423 1 14 . 1 1 77 77 ASP C C 77 178.825 178.825 177.914 0.911 19151 10424 1 14 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.852 0.428 19151 10425 1 14 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.895 -0.705 19151 10426 1 14 . 1 1 77 77 ASP H H 77 8.482 8.482 8.188 0.294 19151 10427 1 14 . 1 1 78 78 SER N N 78 112.576 112.576 115.895 -3.319 19151 10428 1 14 . 1 1 78 78 SER HA H 78 4.728 4.728 4.416 0.312 19151 10429 1 14 . 1 1 78 78 SER C C 78 174.556 174.556 175.015 -0.459 19151 10430 1 14 . 1 1 78 78 SER CA C 78 60.045 60.045 60.400 -0.355 19151 10431 1 14 . 1 1 78 78 SER CB C 78 64.643 64.643 64.075 0.568 19151 10432 1 14 . 1 1 78 78 SER H H 78 8.273 8.273 7.926 0.347 19151 10433 1 14 . 1 1 79 79 LEU N N 79 120.833 120.833 121.009 -0.176 19151 10434 1 14 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.402 0.413 19151 10435 1 14 . 1 1 79 79 LEU C C 79 176.251 176.251 178.792 -2.541 19151 10436 1 14 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.614 -2.654 19151 10437 1 14 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.280 -3.084 19151 10438 1 14 . 1 1 79 79 LEU H H 79 7.025 7.025 7.551 -0.526 19151 10439 1 14 . 1 1 80 80 GLY N N 80 108.861 108.861 106.804 2.057 19151 10440 1 14 . 1 1 80 80 GLY C C 80 173.623 173.623 173.602 0.021 19151 10441 1 14 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.458 -0.229 19151 10442 1 14 . 1 1 80 80 GLY H H 80 7.499 7.499 8.116 -0.617 19151 10443 1 14 . 1 1 81 81 PHE N N 81 121.441 121.441 119.751 1.690 19151 10444 1 14 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.659 0.401 19151 10445 1 14 . 1 1 81 81 PHE C C 81 174.411 174.411 172.447 1.964 19151 10446 1 14 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.344 -0.133 19151 10447 1 14 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.713 -1.093 19151 10448 1 14 . 1 1 81 81 PHE H H 81 8.018 8.018 7.467 0.551 19151 10449 1 14 . 1 1 82 82 GLN N N 82 126.480 126.480 122.102 4.378 19151 10450 1 14 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.753 0.137 19151 10451 1 14 . 1 1 82 82 GLN C C 82 172.700 172.700 173.875 -1.175 19151 10452 1 14 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.352 1.825 19151 10453 1 14 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.720 1.880 19151 10454 1 14 . 1 1 82 82 GLN H H 82 9.588 9.588 7.467 2.121 19151 10455 1 14 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.373 -0.000 19151 10456 1 14 . 1 1 83 83 PRO C C 83 178.163 178.163 176.713 1.450 19151 10457 1 14 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.425 -0.734 19151 10458 1 14 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.530 -0.665 19151 10459 1 14 . 1 1 84 84 ASN N N 84 116.900 116.900 115.607 1.293 19151 10460 1 14 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.826 -0.057 19151 10461 1 14 . 1 1 84 84 ASN C C 84 173.332 173.332 173.732 -0.400 19151 10462 1 14 . 1 1 84 84 ASN CA C 84 52.560 52.560 53.171 -0.611 19151 10463 1 14 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.094 -0.834 19151 10464 1 14 . 1 1 84 84 ASN H H 84 8.578 8.578 8.175 0.403 19151 10465 1 14 . 1 1 85 85 LEU N N 85 124.380 124.380 122.405 1.975 19151 10466 1 14 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.426 -0.380 19151 10467 1 14 . 1 1 85 85 LEU C C 85 175.880 175.880 175.741 0.139 19151 10468 1 14 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.972 0.870 19151 10469 1 14 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.123 -0.823 19151 10470 1 14 . 1 1 85 85 LEU H H 85 7.240 7.240 7.656 -0.416 19151 10471 1 14 . 1 1 86 86 ARG N N 86 128.715 128.715 124.656 4.059 19151 10472 1 14 . 1 1 86 86 ARG HA H 86 5.794 5.794 4.912 0.882 19151 10473 1 14 . 1 1 86 86 ARG C C 86 175.554 175.554 174.437 1.117 19151 10474 1 14 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.366 0.076 19151 10475 1 14 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.561 -1.688 19151 10476 1 14 . 1 1 86 86 ARG H H 86 7.732 7.732 8.437 -0.705 19151 10477 1 14 . 1 1 87 87 TYR N N 87 117.420 117.420 119.065 -1.645 19151 10478 1 14 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.607 1.158 19151 10479 1 14 . 1 1 87 87 TYR C C 87 172.931 172.931 173.357 -0.426 19151 10480 1 14 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.621 -1.360 19151 10481 1 14 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.715 3.223 19151 10482 1 14 . 1 1 87 87 TYR H H 87 8.783 8.783 8.721 0.062 19151 10483 1 14 . 1 1 88 88 GLY N N 88 107.765 107.765 106.379 1.386 19151 10484 1 14 . 1 1 88 88 GLY C C 88 172.621 172.621 171.233 1.388 19151 10485 1 14 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.739 1.122 19151 10486 1 14 . 1 1 88 88 GLY H H 88 8.905 8.905 8.631 0.274 19151 10487 1 14 . 1 1 89 89 VAL N N 89 118.180 118.180 118.609 -0.429 19151 10488 1 14 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.697 0.304 19151 10489 1 14 . 1 1 89 89 VAL C C 89 172.939 172.939 174.014 -1.075 19151 10490 1 14 . 1 1 89 89 VAL CA C 89 60.999 60.999 61.534 -0.535 19151 10491 1 14 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.769 0.629 19151 10492 1 14 . 1 1 89 89 VAL H H 89 7.499 7.499 8.232 -0.733 19151 10493 1 14 . 1 1 90 90 ILE N N 90 125.000 125.000 126.398 -1.398 19151 10494 1 14 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.079 0.048 19151 10495 1 14 . 1 1 90 90 ILE C C 90 173.099 173.099 173.671 -0.572 19151 10496 1 14 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.914 0.574 19151 10497 1 14 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.284 0.114 19151 10498 1 14 . 1 1 90 90 ILE H H 90 8.810 8.810 8.932 -0.122 19151 10499 1 14 . 1 1 91 91 ALA N N 91 129.036 129.036 129.969 -0.933 19151 10500 1 14 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.365 -0.039 19151 10501 1 14 . 1 1 91 91 ALA C C 91 174.000 174.000 175.651 -1.651 19151 10502 1 14 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.688 -0.688 19151 10503 1 14 . 1 1 91 91 ALA CB C 91 22.100 22.100 20.990 1.110 19151 10504 1 14 . 1 1 91 91 ALA H H 91 9.253 9.253 8.888 0.365 19151 10505 1 14 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.132 -0.201 19151 10506 1 14 . 1 1 92 92 LEU C C 92 177.366 177.366 176.313 1.053 19151 10507 1 14 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.159 0.758 19151 10508 1 14 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.099 -2.699 19151 10509 1 14 . 1 1 93 93 GLY N N 93 110.663 110.663 108.432 2.231 19151 10510 1 14 . 1 1 93 93 GLY C C 93 172.029 172.029 172.099 -0.070 19151 10511 1 14 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.522 0.208 19151 10512 1 14 . 1 1 93 93 GLY H H 93 8.687 8.687 8.913 -0.226 19151 10513 1 14 . 1 1 94 94 ASP N N 94 119.304 119.304 120.687 -1.383 19151 10514 1 14 . 1 1 94 94 ASP HA H 94 5.260 5.260 4.820 0.440 19151 10515 1 14 . 1 1 94 94 ASP C C 94 176.978 176.978 176.690 0.288 19151 10516 1 14 . 1 1 94 94 ASP CA C 94 53.607 53.607 53.986 -0.379 19151 10517 1 14 . 1 1 94 94 ASP CB C 94 43.000 43.000 41.809 1.191 19151 10518 1 14 . 1 1 94 94 ASP H H 94 8.129 8.129 8.628 -0.499 19151 10519 1 14 . 1 1 95 95 SER N N 95 123.897 123.897 122.654 1.243 19151 10520 1 14 . 1 1 95 95 SER HA H 95 3.895 3.895 4.142 -0.247 19151 10521 1 14 . 1 1 95 95 SER C C 95 175.243 175.243 175.463 -0.220 19151 10522 1 14 . 1 1 95 95 SER CA C 95 60.183 60.183 59.277 0.906 19151 10523 1 14 . 1 1 95 95 SER CB C 95 61.700 61.700 62.735 -1.035 19151 10524 1 14 . 1 1 95 95 SER H H 95 8.878 8.878 8.633 0.245 19151 10525 1 14 . 1 1 96 96 SER N N 96 119.248 119.248 116.440 2.808 19151 10526 1 14 . 1 1 96 96 SER HA H 96 4.209 4.209 4.198 0.011 19151 10527 1 14 . 1 1 96 96 SER C C 96 173.900 173.900 175.008 -1.108 19151 10528 1 14 . 1 1 96 96 SER CA C 96 60.197 60.197 59.998 0.199 19151 10529 1 14 . 1 1 96 96 SER CB C 96 63.000 63.000 63.431 -0.431 19151 10530 1 14 . 1 1 96 96 SER H H 96 9.124 9.124 8.223 0.901 19151 10531 1 14 . 1 1 97 97 TYR N N 97 120.889 120.889 120.902 -0.013 19151 10532 1 14 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.481 0.407 19151 10533 1 14 . 1 1 97 97 TYR C C 97 175.972 175.972 177.882 -1.910 19151 10534 1 14 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.109 -2.359 19151 10535 1 14 . 1 1 97 97 TYR CB C 97 39.820 39.820 38.859 0.961 19151 10536 1 14 . 1 1 97 97 TYR H H 97 7.664 7.664 7.626 0.038 19151 10537 1 14 . 1 1 98 98 VAL N N 98 116.952 116.952 122.319 -5.367 19151 10538 1 14 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.820 0.240 19151 10539 1 14 . 1 1 98 98 VAL C C 98 175.969 175.969 176.325 -0.356 19151 10540 1 14 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.204 -2.364 19151 10541 1 14 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.506 1.094 19151 10542 1 14 . 1 1 98 98 VAL H H 98 7.970 7.970 8.655 -0.686 19151 10543 1 14 . 1 1 99 99 ASN N N 99 118.156 118.156 117.882 0.274 19151 10544 1 14 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.806 -0.295 19151 10545 1 14 . 1 1 99 99 ASN C C 99 174.329 174.329 175.831 -1.502 19151 10546 1 14 . 1 1 99 99 ASN CA C 99 53.031 53.031 52.615 0.416 19151 10547 1 14 . 1 1 99 99 ASN CB C 99 37.238 37.238 38.365 -1.127 19151 10548 1 14 . 1 1 99 99 ASN H H 99 8.296 8.296 8.311 -0.015 19151 10549 1 14 . 1 1 100 100 PHE N N 100 118.649 118.649 121.074 -2.425 19151 10550 1 14 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.038 0.377 19151 10551 1 14 . 1 1 100 100 PHE C C 100 174.400 174.400 175.223 -0.823 19151 10552 1 14 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.997 -3.807 19151 10553 1 14 . 1 1 100 100 PHE CB C 100 39.679 39.679 38.377 1.302 19151 10554 1 14 . 1 1 100 100 PHE H H 100 7.855 7.855 7.912 -0.057 19151 10555 1 14 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.160 -0.575 19151 10556 1 14 . 1 1 101 101 CYS CA C 101 62.740 62.740 55.479 7.261 19151 10557 1 14 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.583 -1.583 19151 10558 1 14 . 1 1 101 101 CYS H H 101 9.240 9.240 7.807 1.433 19151 10559 1 14 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.378 -0.158 19151 10560 1 14 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.825 0.375 19151 10561 1 14 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.378 0.222 19151 10562 1 14 . 1 1 102 102 ASN H H 102 8.300 8.300 8.736 -0.436 19151 10563 1 14 . 1 1 103 103 GLY C C 103 175.690 175.690 175.917 -0.227 19151 10564 1 14 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.082 0.268 19151 10565 1 14 . 1 1 104 104 GLY N N 104 106.150 106.150 109.298 -3.148 19151 10566 1 14 . 1 1 104 104 GLY C C 104 174.570 174.570 176.226 -1.656 19151 10567 1 14 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.125 1.225 19151 10568 1 14 . 1 1 104 104 GLY H H 104 7.108 7.108 7.625 -0.517 19151 10569 1 14 . 1 1 105 105 LYS N N 105 120.732 120.732 121.804 -1.072 19151 10570 1 14 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.940 -0.003 19151 10571 1 14 . 1 1 105 105 LYS C C 105 179.706 179.706 179.038 0.668 19151 10572 1 14 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.974 0.334 19151 10573 1 14 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.187 -0.390 19151 10574 1 14 . 1 1 105 105 LYS H H 105 7.708 7.708 7.442 0.266 19151 10575 1 14 . 1 1 106 106 GLN N N 106 119.087 119.087 117.383 1.704 19151 10576 1 14 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.199 -0.057 19151 10577 1 14 . 1 1 106 106 GLN C C 106 179.418 179.418 178.547 0.871 19151 10578 1 14 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.559 0.316 19151 10579 1 14 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.424 0.335 19151 10580 1 14 . 1 1 106 106 GLN H H 106 8.738 8.738 8.447 0.291 19151 10581 1 14 . 1 1 107 107 PHE N N 107 123.088 123.088 119.491 3.597 19151 10582 1 14 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.333 -0.083 19151 10583 1 14 . 1 1 107 107 PHE C C 107 178.403 178.403 177.885 0.518 19151 10584 1 14 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.914 0.271 19151 10585 1 14 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.899 0.552 19151 10586 1 14 . 1 1 107 107 PHE H H 107 7.922 7.922 7.714 0.208 19151 10587 1 14 . 1 1 108 108 ASP N N 108 117.118 117.118 120.517 -3.399 19151 10588 1 14 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.659 -0.285 19151 10589 1 14 . 1 1 108 108 ASP C C 108 176.973 176.973 178.245 -1.272 19151 10590 1 14 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.369 1.060 19151 10591 1 14 . 1 1 108 108 ASP CB C 108 44.123 44.123 40.946 3.177 19151 10592 1 14 . 1 1 108 108 ASP H H 108 8.305 8.305 8.084 0.221 19151 10593 1 14 . 1 1 109 109 ALA N N 109 118.590 118.590 122.394 -3.804 19151 10594 1 14 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.106 -0.056 19151 10595 1 14 . 1 1 109 109 ALA C C 109 180.430 180.430 179.821 0.609 19151 10596 1 14 . 1 1 109 109 ALA CA C 109 55.196 55.196 54.994 0.202 19151 10597 1 14 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.344 -0.237 19151 10598 1 14 . 1 1 109 109 ALA H H 109 8.332 8.332 7.954 0.378 19151 10599 1 14 . 1 1 110 110 LEU N N 110 120.402 120.402 120.283 0.119 19151 10600 1 14 . 1 1 110 110 LEU HA H 110 4.085 4.085 4.054 0.031 19151 10601 1 14 . 1 1 110 110 LEU C C 110 177.801 177.801 179.017 -1.216 19151 10602 1 14 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.507 0.133 19151 10603 1 14 . 1 1 110 110 LEU CB C 110 41.756 41.756 41.027 0.729 19151 10604 1 14 . 1 1 110 110 LEU H H 110 7.868 7.868 7.597 0.271 19151 10605 1 14 . 1 1 111 111 LEU N N 111 116.945 116.945 117.047 -0.102 19151 10606 1 14 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.763 -0.045 19151 10607 1 14 . 1 1 111 111 LEU C C 111 179.838 179.838 179.162 0.676 19151 10608 1 14 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.805 0.160 19151 10609 1 14 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.170 -2.310 19151 10610 1 14 . 1 1 111 111 LEU H H 111 7.704 7.704 7.646 0.058 19151 10611 1 14 . 1 1 112 112 GLN N N 112 118.484 118.484 116.463 2.021 19151 10612 1 14 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.117 0.024 19151 10613 1 14 . 1 1 112 112 GLN C C 112 181.218 181.218 178.186 3.032 19151 10614 1 14 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.577 1.389 19151 10615 1 14 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.228 1.032 19151 10616 1 14 . 1 1 112 112 GLN H H 112 8.441 8.441 8.082 0.359 19151 10617 1 14 . 1 1 113 113 GLU N N 113 122.905 122.905 117.520 5.385 19151 10618 1 14 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.138 0.043 19151 10619 1 14 . 1 1 113 113 GLU C C 113 178.001 178.001 177.388 0.613 19151 10620 1 14 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.918 1.067 19151 10621 1 14 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.488 -0.218 19151 10622 1 14 . 1 1 113 113 GLU H H 113 8.305 8.305 7.896 0.409 19151 10623 1 14 . 1 1 114 114 GLN N N 114 117.332 117.332 118.934 -1.602 19151 10624 1 14 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.349 0.246 19151 10625 1 14 . 1 1 114 114 GLN C C 114 174.538 174.538 177.078 -2.540 19151 10626 1 14 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.523 -1.106 19151 10627 1 14 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.724 -4.894 19151 10628 1 14 . 1 1 114 114 GLN H H 114 7.520 7.520 7.588 -0.068 19151 10629 1 14 . 1 1 115 115 SER N N 115 109.100 109.100 109.408 -0.308 19151 10630 1 14 . 1 1 115 115 SER HA H 115 4.200 4.200 4.458 -0.258 19151 10631 1 14 . 1 1 115 115 SER C C 115 172.302 172.302 173.907 -1.605 19151 10632 1 14 . 1 1 115 115 SER CA C 115 60.400 60.400 58.436 1.964 19151 10633 1 14 . 1 1 115 115 SER CB C 115 61.325 61.325 64.418 -3.093 19151 10634 1 14 . 1 1 115 115 SER H H 115 7.950 7.950 8.089 -0.139 19151 10635 1 14 . 1 1 116 116 ALA N N 116 121.059 121.059 126.058 -4.999 19151 10636 1 14 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.202 0.592 19151 10637 1 14 . 1 1 116 116 ALA C C 116 176.774 176.774 176.446 0.328 19151 10638 1 14 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.727 -1.037 19151 10639 1 14 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.164 1.201 19151 10640 1 14 . 1 1 116 116 ALA H H 116 7.813 7.813 7.543 0.270 19151 10641 1 14 . 1 1 117 117 GLN N N 117 118.000 118.000 119.509 -1.509 19151 10642 1 14 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.585 0.033 19151 10643 1 14 . 1 1 117 117 GLN C C 117 173.769 173.769 175.698 -1.929 19151 10644 1 14 . 1 1 117 117 GLN CA C 117 54.556 54.556 55.281 -0.725 19151 10645 1 14 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.089 -0.354 19151 10646 1 14 . 1 1 117 117 GLN H H 117 8.591 8.591 8.385 0.206 19151 10647 1 14 . 1 1 118 118 ARG N N 118 127.947 127.947 119.485 8.462 19151 10648 1 14 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.185 -1.877 19151 10649 1 14 . 1 1 118 118 ARG C C 118 176.758 176.758 175.319 1.439 19151 10650 1 14 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.489 1.697 19151 10651 1 14 . 1 1 118 118 ARG CB C 118 30.310 30.310 33.825 -3.515 19151 10652 1 14 . 1 1 118 118 ARG H H 118 8.659 8.659 8.491 0.168 19151 10653 1 14 . 1 1 119 119 VAL N N 119 131.939 131.939 121.212 10.727 19151 10654 1 14 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.368 -0.255 19151 10655 1 14 . 1 1 119 119 VAL C C 119 176.775 176.775 176.301 0.474 19151 10656 1 14 . 1 1 119 119 VAL CA C 119 62.174 62.174 60.596 1.578 19151 10657 1 14 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.471 -1.077 19151 10658 1 14 . 1 1 119 119 VAL H H 119 9.520 9.520 8.822 0.698 19151 10659 1 14 . 1 1 120 120 GLY N N 120 116.074 116.074 116.426 -0.352 19151 10660 1 14 . 1 1 120 120 GLY C C 120 172.757 172.757 173.303 -0.546 19151 10661 1 14 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.501 -1.603 19151 10662 1 14 . 1 1 120 120 GLY H H 120 8.755 8.755 8.715 0.040 19151 10663 1 14 . 1 1 121 121 GLU N N 121 118.754 118.754 118.764 -0.010 19151 10664 1 14 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.941 -0.275 19151 10665 1 14 . 1 1 121 121 GLU C C 121 177.419 177.419 176.744 0.675 19151 10666 1 14 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.109 0.382 19151 10667 1 14 . 1 1 121 121 GLU CB C 121 31.498 31.498 32.057 -0.559 19151 10668 1 14 . 1 1 121 121 GLU H H 121 8.594 8.594 8.702 -0.108 19151 10669 1 14 . 1 1 122 122 MET N N 122 122.642 122.642 120.759 1.883 19151 10670 1 14 . 1 1 122 122 MET HA H 122 4.415 4.415 4.977 -0.562 19151 10671 1 14 . 1 1 122 122 MET C C 122 175.351 175.351 175.237 0.114 19151 10672 1 14 . 1 1 122 122 MET CA C 122 57.024 57.024 54.916 2.108 19151 10673 1 14 . 1 1 122 122 MET CB C 122 34.210 34.210 33.262 0.948 19151 10674 1 14 . 1 1 122 122 MET H H 122 8.892 8.892 8.612 0.280 19151 10675 1 14 . 1 1 123 123 LEU N N 123 129.535 129.535 122.759 6.776 19151 10676 1 14 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.469 -0.119 19151 10677 1 14 . 1 1 123 123 LEU C C 123 173.124 173.124 174.377 -1.253 19151 10678 1 14 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.313 0.426 19151 10679 1 14 . 1 1 123 123 LEU CB C 123 41.078 41.078 43.084 -2.006 19151 10680 1 14 . 1 1 123 123 LEU H H 123 7.868 7.868 7.622 0.246 19151 10681 1 14 . 1 1 124 124 LEU N N 124 127.120 127.120 125.843 1.277 19151 10682 1 14 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.755 0.300 19151 10683 1 14 . 1 1 124 124 LEU C C 124 176.379 176.379 176.283 0.096 19151 10684 1 14 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.239 0.311 19151 10685 1 14 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.539 -1.161 19151 10686 1 14 . 1 1 124 124 LEU H H 124 8.346 8.346 8.267 0.079 19151 10687 1 14 . 1 1 125 125 ILE N N 125 124.337 124.337 125.852 -1.515 19151 10688 1 14 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.226 -0.046 19151 10689 1 14 . 1 1 125 125 ILE C C 125 174.303 174.303 174.879 -0.576 19151 10690 1 14 . 1 1 125 125 ILE CA C 125 61.100 61.100 61.435 -0.335 19151 10691 1 14 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.138 -0.195 19151 10692 1 14 . 1 1 125 125 ILE H H 125 8.974 8.974 8.879 0.095 19151 10693 1 14 . 1 1 126 126 ASP N N 126 127.113 127.113 128.045 -0.932 19151 10694 1 14 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.557 -0.442 19151 10695 1 14 . 1 1 126 126 ASP C C 126 176.766 176.766 176.536 0.230 19151 10696 1 14 . 1 1 126 126 ASP CA C 126 51.847 51.847 51.538 0.309 19151 10697 1 14 . 1 1 126 126 ASP CB C 126 41.100 41.100 39.897 1.203 19151 10698 1 14 . 1 1 126 126 ASP H H 126 9.397 9.397 8.825 0.572 19151 10699 1 14 . 1 1 127 127 ALA N N 127 131.178 131.178 128.625 2.553 19151 10700 1 14 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.382 -0.066 19151 10701 1 14 . 1 1 127 127 ALA C C 127 178.530 178.530 178.592 -0.062 19151 10702 1 14 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.195 -0.348 19151 10703 1 14 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.116 -0.324 19151 10704 1 14 . 1 1 127 127 ALA H H 127 9.696 9.696 8.889 0.807 19151 10705 1 14 . 1 1 128 128 SER N N 128 112.064 112.064 113.220 -1.156 19151 10706 1 14 . 1 1 128 128 SER HA H 128 4.224 4.224 4.190 0.034 19151 10707 1 14 . 1 1 128 128 SER C C 128 175.000 175.000 175.741 -0.741 19151 10708 1 14 . 1 1 128 128 SER CA C 128 61.246 61.246 60.550 0.696 19151 10709 1 14 . 1 1 128 128 SER CB C 128 63.310 63.310 63.374 -0.064 19151 10710 1 14 . 1 1 128 128 SER H H 128 8.373 8.373 8.254 0.119 19151 10711 1 14 . 1 1 129 129 GLU N N 129 119.468 119.468 118.771 0.697 19151 10712 1 14 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.500 -0.100 19151 10713 1 14 . 1 1 129 129 GLU C C 129 175.947 175.947 175.943 0.004 19151 10714 1 14 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.629 -0.214 19151 10715 1 14 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.924 -0.194 19151 10716 1 14 . 1 1 129 129 GLU H H 129 7.267 7.267 7.818 -0.551 19151 10717 1 14 . 1 1 130 130 ASN N N 130 115.968 115.968 118.615 -2.647 19151 10718 1 14 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.131 0.035 19151 10719 1 14 . 1 1 130 130 ASN C C 130 172.000 172.000 173.911 -1.911 19151 10720 1 14 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.743 -0.520 19151 10721 1 14 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.977 -0.312 19151 10722 1 14 . 1 1 130 130 ASN H H 130 8.072 8.072 8.361 -0.289 19151 10723 1 14 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.525 0.025 19151 10724 1 14 . 1 1 131 131 PRO C C 131 176.400 176.400 176.053 0.347 19151 10725 1 14 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.325 0.175 19151 10726 1 14 . 1 1 131 131 PRO CB C 131 32.300 32.300 32.102 0.198 19151 10727 1 14 . 1 1 132 132 GLU N N 132 119.000 119.000 118.314 0.686 19151 10728 1 14 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.715 0.305 19151 10729 1 14 . 1 1 132 132 GLU C C 132 174.200 174.200 175.349 -1.149 19151 10730 1 14 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.535 -0.535 19151 10731 1 14 . 1 1 132 132 GLU CB C 132 29.700 29.700 28.893 0.807 19151 10732 1 14 . 1 1 132 132 GLU H H 132 7.690 7.690 8.271 -0.581 19151 10733 1 14 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.235 -0.235 19151 10734 1 14 . 1 1 133 133 PRO C C 133 177.391 177.391 178.187 -0.796 19151 10735 1 14 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.140 0.329 19151 10736 1 14 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.953 0.192 19151 10737 1 14 . 1 1 134 134 GLU N N 134 122.846 122.846 117.993 4.853 19151 10738 1 14 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.292 0.928 19151 10739 1 14 . 1 1 134 134 GLU C C 134 178.385 178.385 178.784 -0.399 19151 10740 1 14 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.142 -1.550 19151 10741 1 14 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.552 -1.962 19151 10742 1 14 . 1 1 134 134 GLU H H 134 10.707 10.707 8.808 1.899 19151 10743 1 14 . 1 1 135 135 THR N N 135 113.016 113.016 111.563 1.453 19151 10744 1 14 . 1 1 135 135 THR HA H 135 4.182 4.182 4.177 0.005 19151 10745 1 14 . 1 1 135 135 THR C C 135 176.460 176.460 175.696 0.764 19151 10746 1 14 . 1 1 135 135 THR CA C 135 64.752 64.752 65.052 -0.300 19151 10747 1 14 . 1 1 135 135 THR CB C 135 69.248 69.248 68.871 0.377 19151 10748 1 14 . 1 1 135 135 THR H H 135 8.168 8.168 8.135 0.033 19151 10749 1 14 . 1 1 136 136 GLU N N 136 118.978 118.978 121.199 -2.221 19151 10750 1 14 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.487 0.077 19151 10751 1 14 . 1 1 136 136 GLU C C 136 178.370 178.370 178.490 -0.120 19151 10752 1 14 . 1 1 136 136 GLU CA C 136 56.913 56.913 57.972 -1.059 19151 10753 1 14 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.508 1.593 19151 10754 1 14 . 1 1 136 136 GLU H H 136 7.680 7.680 7.764 -0.084 19151 10755 1 14 . 1 1 137 137 SER N N 137 116.501 116.501 115.925 0.576 19151 10756 1 14 . 1 1 137 137 SER HA H 137 4.033 4.033 4.260 -0.227 19151 10757 1 14 . 1 1 137 137 SER C C 137 175.670 175.670 176.658 -0.988 19151 10758 1 14 . 1 1 137 137 SER CA C 137 62.330 62.330 61.780 0.550 19151 10759 1 14 . 1 1 137 137 SER CB C 137 61.380 61.380 63.172 -1.792 19151 10760 1 14 . 1 1 137 137 SER H H 137 8.824 8.824 8.338 0.486 19151 10761 1 14 . 1 1 138 138 ASN N N 138 123.517 123.517 121.377 2.140 19151 10762 1 14 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.736 -0.145 19151 10763 1 14 . 1 1 138 138 ASN C C 138 175.700 175.700 175.462 0.238 19151 10764 1 14 . 1 1 138 138 ASN CA C 138 57.486 57.486 56.921 0.565 19151 10765 1 14 . 1 1 138 138 ASN CB C 138 34.253 34.253 35.974 -1.721 19151 10766 1 14 . 1 1 138 138 ASN H H 138 8.564 8.564 8.456 0.108 19151 10767 1 14 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.370 0.085 19151 10768 1 14 . 1 1 139 139 PRO C C 139 180.033 180.033 178.484 1.549 19151 10769 1 14 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.349 0.261 19151 10770 1 14 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.456 -0.919 19151 10771 1 14 . 1 1 140 140 TRP N N 140 119.700 119.700 121.634 -1.934 19151 10772 1 14 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.417 -0.084 19151 10773 1 14 . 1 1 140 140 TRP C C 140 179.195 179.195 177.715 1.480 19151 10774 1 14 . 1 1 140 140 TRP CA C 140 62.180 62.180 62.207 -0.027 19151 10775 1 14 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.501 1.250 19151 10776 1 14 . 1 1 140 140 TRP H H 140 7.057 7.057 7.463 -0.406 19151 10777 1 14 . 1 1 141 141 VAL N N 141 122.879 122.879 119.197 3.682 19151 10778 1 14 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.742 -0.006 19151 10779 1 14 . 1 1 141 141 VAL C C 141 177.416 177.416 178.491 -1.075 19151 10780 1 14 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.501 -0.785 19151 10781 1 14 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.625 -0.193 19151 10782 1 14 . 1 1 141 141 VAL H H 141 9.629 9.629 8.831 0.798 19151 10783 1 14 . 1 1 142 142 GLU N N 142 119.965 119.965 117.979 1.986 19151 10784 1 14 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.090 -0.358 19151 10785 1 14 . 1 1 142 142 GLU C C 142 178.800 178.800 177.233 1.567 19151 10786 1 14 . 1 1 142 142 GLU CA C 142 59.332 59.332 58.715 0.617 19151 10787 1 14 . 1 1 142 142 GLU CB C 142 29.560 29.560 30.000 -0.441 19151 10788 1 14 . 1 1 142 142 GLU H H 142 8.551 8.551 8.209 0.342 19151 10789 1 14 . 1 1 143 143 HIS N N 143 115.364 115.364 117.948 -2.584 19151 10790 1 14 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.399 -0.109 19151 10791 1 14 . 1 1 143 143 HIS C C 143 177.840 177.840 175.936 1.904 19151 10792 1 14 . 1 1 143 143 HIS CA C 143 59.363 59.363 58.946 0.417 19151 10793 1 14 . 1 1 143 143 HIS CB C 143 29.362 29.362 30.713 -1.351 19151 10794 1 14 . 1 1 143 143 HIS H H 143 7.380 7.380 7.675 -0.295 19151 10795 1 14 . 1 1 144 144 TRP N N 144 126.680 126.680 122.041 4.639 19151 10796 1 14 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.817 -0.483 19151 10797 1 14 . 1 1 144 144 TRP C C 144 178.200 178.200 178.441 -0.241 19151 10798 1 14 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.941 2.019 19151 10799 1 14 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.469 0.056 19151 10800 1 14 . 1 1 144 144 TRP H H 144 9.215 9.215 8.663 0.552 19151 10801 1 14 . 1 1 145 145 GLY N N 145 100.130 100.130 105.217 -5.087 19151 10802 1 14 . 1 1 145 145 GLY C C 145 177.391 177.391 175.467 1.924 19151 10803 1 14 . 1 1 145 145 GLY CA C 145 46.760 46.760 46.970 -0.210 19151 10804 1 14 . 1 1 145 145 GLY H H 145 8.834 8.834 8.520 0.314 19151 10805 1 14 . 1 1 146 146 THR N N 146 110.831 110.831 112.987 -2.156 19151 10806 1 14 . 1 1 146 146 THR HA H 146 4.319 4.319 4.078 0.241 19151 10807 1 14 . 1 1 146 146 THR C C 146 175.574 175.574 175.687 -0.113 19151 10808 1 14 . 1 1 146 146 THR CA C 146 63.260 63.260 63.767 -0.506 19151 10809 1 14 . 1 1 146 146 THR CB C 146 69.660 69.660 68.621 1.039 19151 10810 1 14 . 1 1 146 146 THR H H 146 7.594 7.594 7.525 0.069 19151 10811 1 14 . 1 1 147 147 LEU N N 147 120.678 120.678 120.364 0.314 19151 10812 1 14 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.082 -0.024 19151 10813 1 14 . 1 1 147 147 LEU C C 147 177.176 177.176 176.461 0.715 19151 10814 1 14 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.535 -1.221 19151 10815 1 14 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.527 -0.299 19151 10816 1 14 . 1 1 147 147 LEU H H 147 7.458 7.458 7.397 0.061 19151 10817 1 14 . 1 1 148 148 LEU N N 148 117.062 117.062 118.321 -1.259 19151 10818 1 14 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.958 -0.240 19151 10819 1 14 . 1 1 148 148 LEU C C 148 175.570 175.570 176.628 -1.058 19151 10820 1 14 . 1 1 148 148 LEU CA C 148 53.951 53.951 53.804 0.147 19151 10821 1 14 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.190 -1.590 19151 10822 1 14 . 1 1 148 148 LEU H H 148 6.482 6.482 6.787 -0.305 19151 10823 1 15 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.196 0.033 19151 10824 1 15 . 1 1 2 2 ALA C C 2 173.315 173.315 175.027 -1.712 19151 10825 1 15 . 1 1 2 2 ALA CA C 2 51.580 51.580 53.189 -1.609 19151 10826 1 15 . 1 1 2 2 ALA CB C 2 20.223 20.223 18.636 1.587 19151 10827 1 15 . 1 1 3 3 GLU N N 3 121.874 121.874 121.271 0.603 19151 10828 1 15 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.500 -0.226 19151 10829 1 15 . 1 1 3 3 GLU C C 3 174.545 174.545 175.800 -1.255 19151 10830 1 15 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.330 0.520 19151 10831 1 15 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.148 -0.428 19151 10832 1 15 . 1 1 3 3 GLU H H 3 8.696 8.696 8.513 0.183 19151 10833 1 15 . 1 1 4 4 ILE N N 4 120.672 120.672 125.014 -4.342 19151 10834 1 15 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.906 0.203 19151 10835 1 15 . 1 1 4 4 ILE C C 4 175.463 175.463 174.869 0.594 19151 10836 1 15 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.197 -0.364 19151 10837 1 15 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.439 3.231 19151 10838 1 15 . 1 1 4 4 ILE H H 4 8.860 8.860 9.320 -0.460 19151 10839 1 15 . 1 1 5 5 GLY N N 5 119.310 119.310 114.716 4.594 19151 10840 1 15 . 1 1 5 5 GLY C C 5 171.260 171.260 172.958 -1.698 19151 10841 1 15 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.526 0.294 19151 10842 1 15 . 1 1 5 5 GLY H H 5 8.469 8.469 8.136 0.333 19151 10843 1 15 . 1 1 6 6 ILE N N 6 126.915 126.915 126.213 0.702 19151 10844 1 15 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.089 0.101 19151 10845 1 15 . 1 1 6 6 ILE C C 6 173.901 173.901 174.437 -0.536 19151 10846 1 15 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.666 -0.666 19151 10847 1 15 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.934 -1.934 19151 10848 1 15 . 1 1 6 6 ILE H H 6 9.056 9.056 9.234 -0.178 19151 10849 1 15 . 1 1 7 7 PHE N N 7 127.354 127.354 127.665 -0.311 19151 10850 1 15 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.031 -0.519 19151 10851 1 15 . 1 1 7 7 PHE C C 7 174.230 174.230 174.421 -0.191 19151 10852 1 15 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.549 1.861 19151 10853 1 15 . 1 1 7 7 PHE CB C 7 41.728 41.728 41.159 0.569 19151 10854 1 15 . 1 1 7 7 PHE H H 7 8.960 8.960 9.562 -0.602 19151 10855 1 15 . 1 1 8 8 VAL N N 8 127.270 127.270 125.040 2.230 19151 10856 1 15 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.116 -0.056 19151 10857 1 15 . 1 1 8 8 VAL C C 8 175.450 175.450 175.575 -0.125 19151 10858 1 15 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.143 1.057 19151 10859 1 15 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.707 0.730 19151 10860 1 15 . 1 1 8 8 VAL H H 8 8.581 8.581 7.739 0.842 19151 10861 1 15 . 1 1 9 9 GLY N N 9 115.000 115.000 116.329 -1.329 19151 10862 1 15 . 1 1 9 9 GLY C C 9 173.150 173.150 172.496 0.654 19151 10863 1 15 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.417 0.583 19151 10864 1 15 . 1 1 9 9 GLY H H 9 9.393 9.393 8.904 0.489 19151 10865 1 15 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.127 0.568 19151 10866 1 15 . 1 1 12 12 TYR C C 12 176.560 176.560 175.810 0.750 19151 10867 1 15 . 1 1 12 12 TYR CA C 12 57.750 57.750 57.838 -0.088 19151 10868 1 15 . 1 1 12 12 TYR CB C 12 38.000 38.000 35.695 2.305 19151 10869 1 15 . 1 1 13 13 GLY N N 13 109.870 109.870 106.951 2.919 19151 10870 1 15 . 1 1 13 13 GLY C C 13 175.930 175.930 173.829 2.101 19151 10871 1 15 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.556 1.444 19151 10872 1 15 . 1 1 13 13 GLY H H 13 8.500 8.500 8.063 0.437 19151 10873 1 15 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.294 -0.064 19151 10874 1 15 . 1 1 17 17 LEU C C 17 179.210 179.210 178.561 0.649 19151 10875 1 15 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.659 0.741 19151 10876 1 15 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.448 -0.148 19151 10877 1 15 . 1 1 18 18 VAL N N 18 117.231 117.231 118.809 -1.578 19151 10878 1 15 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.624 -0.301 19151 10879 1 15 . 1 1 18 18 VAL C C 18 178.460 178.460 178.245 0.215 19151 10880 1 15 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.184 0.682 19151 10881 1 15 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.545 0.915 19151 10882 1 15 . 1 1 18 18 VAL H H 18 7.645 7.645 7.443 0.202 19151 10883 1 15 . 1 1 19 19 ALA N N 19 121.820 121.820 122.486 -0.666 19151 10884 1 15 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.996 -0.180 19151 10885 1 15 . 1 1 19 19 ALA C C 19 178.180 178.180 179.221 -1.041 19151 10886 1 15 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.671 -0.095 19151 10887 1 15 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.192 1.808 19151 10888 1 15 . 1 1 19 19 ALA H H 19 8.010 8.010 8.525 -0.515 19151 10889 1 15 . 1 1 20 20 GLU N N 20 118.960 118.960 118.196 0.764 19151 10890 1 15 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.019 -0.003 19151 10891 1 15 . 1 1 20 20 GLU C C 20 180.950 180.950 179.050 1.900 19151 10892 1 15 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.311 0.355 19151 10893 1 15 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.335 -0.035 19151 10894 1 15 . 1 1 20 20 GLU H H 20 8.700 8.700 8.363 0.337 19151 10895 1 15 . 1 1 21 21 GLU N N 21 121.371 121.371 120.183 1.188 19151 10896 1 15 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.112 -0.068 19151 10897 1 15 . 1 1 21 21 GLU C C 21 179.419 179.419 178.844 0.575 19151 10898 1 15 . 1 1 21 21 GLU CA C 21 59.310 59.310 58.798 0.512 19151 10899 1 15 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.364 0.197 19151 10900 1 15 . 1 1 21 21 GLU H H 21 8.632 8.632 8.270 0.362 19151 10901 1 15 . 1 1 22 22 ALA N N 22 121.329 121.329 123.067 -1.738 19151 10902 1 15 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.057 0.001 19151 10903 1 15 . 1 1 22 22 ALA C C 22 178.823 178.823 179.361 -0.538 19151 10904 1 15 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.666 -0.989 19151 10905 1 15 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.136 -0.493 19151 10906 1 15 . 1 1 22 22 ALA H H 22 8.182 8.182 8.587 -0.405 19151 10907 1 15 . 1 1 23 23 GLU N N 23 119.035 119.035 119.049 -0.014 19151 10908 1 15 . 1 1 23 23 GLU HA H 23 3.404 3.404 3.980 -0.576 19151 10909 1 15 . 1 1 23 23 GLU C C 23 178.375 178.375 178.618 -0.243 19151 10910 1 15 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.769 0.539 19151 10911 1 15 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.607 -0.677 19151 10912 1 15 . 1 1 23 23 GLU H H 23 8.387 8.387 8.498 -0.111 19151 10913 1 15 . 1 1 24 24 ALA N N 24 122.207 122.207 121.667 0.540 19151 10914 1 15 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.111 -0.081 19151 10915 1 15 . 1 1 24 24 ALA C C 24 181.132 181.132 179.885 1.247 19151 10916 1 15 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.035 0.452 19151 10917 1 15 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.626 -0.626 19151 10918 1 15 . 1 1 24 24 ALA H H 24 7.535 7.535 7.493 0.042 19151 10919 1 15 . 1 1 25 25 ILE N N 25 121.059 121.059 120.266 0.793 19151 10920 1 15 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.736 -0.072 19151 10921 1 15 . 1 1 25 25 ILE C C 25 178.419 178.419 177.921 0.498 19151 10922 1 15 . 1 1 25 25 ILE CA C 25 65.108 65.108 65.944 -0.836 19151 10923 1 15 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.157 0.806 19151 10924 1 15 . 1 1 25 25 ILE H H 25 7.800 7.800 8.561 -0.761 19151 10925 1 15 . 1 1 26 26 LEU N N 26 119.307 119.307 120.782 -1.475 19151 10926 1 15 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.122 0.054 19151 10927 1 15 . 1 1 26 26 LEU C C 26 179.863 179.863 179.640 0.223 19151 10928 1 15 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.527 -0.581 19151 10929 1 15 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.257 -0.117 19151 10930 1 15 . 1 1 26 26 LEU H H 26 8.509 8.509 8.727 -0.218 19151 10931 1 15 . 1 1 27 27 THR N N 27 117.830 117.830 115.832 1.998 19151 10932 1 15 . 1 1 27 27 THR HA H 27 4.524 4.524 4.270 0.254 19151 10933 1 15 . 1 1 27 27 THR C C 27 179.027 179.027 176.347 2.680 19151 10934 1 15 . 1 1 27 27 THR CA C 27 66.000 66.000 66.423 -0.423 19151 10935 1 15 . 1 1 27 27 THR CB C 27 68.600 68.600 68.864 -0.264 19151 10936 1 15 . 1 1 27 27 THR H H 27 8.796 8.796 8.398 0.398 19151 10937 1 15 . 1 1 28 28 ALA N N 28 126.313 126.313 122.325 3.988 19151 10938 1 15 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.130 0.075 19151 10939 1 15 . 1 1 28 28 ALA C C 28 179.360 179.360 179.558 -0.198 19151 10940 1 15 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.259 0.741 19151 10941 1 15 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.265 -0.615 19151 10942 1 15 . 1 1 28 28 ALA H H 28 7.832 7.832 7.827 0.005 19151 10943 1 15 . 1 1 29 29 GLN N N 29 115.527 115.527 116.520 -0.993 19151 10944 1 15 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.146 -0.019 19151 10945 1 15 . 1 1 29 29 GLN C C 29 176.547 176.547 176.962 -0.415 19151 10946 1 15 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.870 -0.307 19151 10947 1 15 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.625 -0.215 19151 10948 1 15 . 1 1 29 29 GLN H H 29 7.353 7.353 8.297 -0.944 19151 10949 1 15 . 1 1 30 30 GLY N N 30 105.961 105.961 106.155 -0.194 19151 10950 1 15 . 1 1 30 30 GLY C C 30 174.785 174.785 173.387 1.398 19151 10951 1 15 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.571 -0.070 19151 10952 1 15 . 1 1 30 30 GLY H H 30 7.923 7.923 7.707 0.216 19151 10953 1 15 . 1 1 31 31 HIS N N 31 119.471 119.471 118.304 1.167 19151 10954 1 15 . 1 1 31 31 HIS HA H 31 4.835 4.835 5.605 -0.770 19151 10955 1 15 . 1 1 31 31 HIS C C 31 174.665 174.665 174.449 0.216 19151 10956 1 15 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.030 1.812 19151 10957 1 15 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.827 0.173 19151 10958 1 15 . 1 1 31 31 HIS H H 31 7.558 7.558 8.078 -0.520 19151 10959 1 15 . 1 1 32 32 LYS N N 32 121.854 121.854 121.824 0.030 19151 10960 1 15 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.510 0.213 19151 10961 1 15 . 1 1 32 32 LYS C C 32 174.466 174.466 174.593 -0.127 19151 10962 1 15 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.812 0.053 19151 10963 1 15 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.033 0.927 19151 10964 1 15 . 1 1 32 32 LYS H H 32 8.665 8.665 8.485 0.180 19151 10965 1 15 . 1 1 33 33 ALA N N 33 130.188 130.188 129.150 1.038 19151 10966 1 15 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.698 0.120 19151 10967 1 15 . 1 1 33 33 ALA C C 33 175.567 175.567 176.619 -1.052 19151 10968 1 15 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.498 -0.522 19151 10969 1 15 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.796 0.501 19151 10970 1 15 . 1 1 33 33 ALA H H 33 8.837 8.837 8.165 0.672 19151 10971 1 15 . 1 1 34 34 THR N N 34 117.164 117.164 118.259 -1.095 19151 10972 1 15 . 1 1 34 34 THR HA H 34 4.359 4.359 4.689 -0.330 19151 10973 1 15 . 1 1 34 34 THR C C 34 171.315 171.315 173.343 -2.028 19151 10974 1 15 . 1 1 34 34 THR CA C 34 61.840 61.840 61.455 0.385 19151 10975 1 15 . 1 1 34 34 THR CB C 34 71.800 71.800 72.385 -0.584 19151 10976 1 15 . 1 1 34 34 THR H H 34 7.826 7.826 8.779 -0.953 19151 10977 1 15 . 1 1 35 35 VAL N N 35 126.650 126.650 124.245 2.405 19151 10978 1 15 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.324 -0.141 19151 10979 1 15 . 1 1 35 35 VAL C C 35 174.675 174.675 175.365 -0.690 19151 10980 1 15 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.987 -0.059 19151 10981 1 15 . 1 1 35 35 VAL CB C 35 32.650 32.650 31.971 0.679 19151 10982 1 15 . 1 1 35 35 VAL H H 35 8.496 8.496 8.864 -0.368 19151 10983 1 15 . 1 1 36 36 PHE N N 36 127.630 127.630 126.914 0.716 19151 10984 1 15 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.625 -0.074 19151 10985 1 15 . 1 1 36 36 PHE C C 36 174.347 174.347 174.346 0.001 19151 10986 1 15 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.580 0.902 19151 10987 1 15 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.181 -0.016 19151 10988 1 15 . 1 1 36 36 PHE H H 36 9.164 9.164 9.176 -0.012 19151 10989 1 15 . 1 1 37 37 GLU N N 37 123.516 123.516 124.727 -1.211 19151 10990 1 15 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.348 0.122 19151 10991 1 15 . 1 1 37 37 GLU C C 37 175.954 175.954 176.053 -0.099 19151 10992 1 15 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.135 -0.416 19151 10993 1 15 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.773 0.687 19151 10994 1 15 . 1 1 37 37 GLU H H 37 8.455 8.455 8.655 -0.200 19151 10995 1 15 . 1 1 38 38 ASP N N 38 120.395 120.395 121.860 -1.465 19151 10996 1 15 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.466 0.367 19151 10997 1 15 . 1 1 38 38 ASP C C 38 173.920 173.920 174.675 -0.755 19151 10998 1 15 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.000 0.477 19151 10999 1 15 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.480 0.124 19151 11000 1 15 . 1 1 38 38 ASP H H 38 9.602 9.602 8.639 0.963 19151 11001 1 15 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.462 0.218 19151 11002 1 15 . 1 1 39 39 PRO C C 39 176.274 176.274 176.550 -0.276 19151 11003 1 15 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.634 -0.650 19151 11004 1 15 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.041 1.359 19151 11005 1 15 . 1 1 40 40 GLU N N 40 119.026 119.026 122.436 -3.410 19151 11006 1 15 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.494 0.234 19151 11007 1 15 . 1 1 40 40 GLU C C 40 177.827 177.827 177.415 0.412 19151 11008 1 15 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.344 -1.374 19151 11009 1 15 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.029 2.371 19151 11010 1 15 . 1 1 40 40 GLU H H 40 9.178 9.178 8.393 0.785 19151 11011 1 15 . 1 1 41 41 LEU N N 41 123.708 123.708 124.678 -0.970 19151 11012 1 15 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.216 -0.322 19151 11013 1 15 . 1 1 41 41 LEU C C 41 178.730 178.730 178.220 0.510 19151 11014 1 15 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.656 0.751 19151 11015 1 15 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.811 -0.158 19151 11016 1 15 . 1 1 41 41 LEU H H 41 9.160 9.160 8.831 0.329 19151 11017 1 15 . 1 1 42 42 SER N N 42 110.500 110.500 114.627 -4.127 19151 11018 1 15 . 1 1 42 42 SER HA H 42 4.010 4.010 4.289 -0.279 19151 11019 1 15 . 1 1 42 42 SER C C 42 176.300 176.300 175.056 1.244 19151 11020 1 15 . 1 1 42 42 SER CA C 42 61.600 61.600 60.834 0.766 19151 11021 1 15 . 1 1 42 42 SER CB C 42 62.140 62.140 62.809 -0.669 19151 11022 1 15 . 1 1 42 42 SER H H 42 8.415 8.415 8.596 -0.181 19151 11023 1 15 . 1 1 43 43 ASP N N 43 119.770 119.770 121.112 -1.342 19151 11024 1 15 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.639 -0.182 19151 11025 1 15 . 1 1 43 43 ASP C C 43 176.150 176.150 176.524 -0.374 19151 11026 1 15 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.757 0.994 19151 11027 1 15 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.767 1.933 19151 11028 1 15 . 1 1 43 43 ASP H H 43 7.690 7.690 7.934 -0.244 19151 11029 1 15 . 1 1 44 44 TRP N N 44 118.500 118.500 121.169 -2.669 19151 11030 1 15 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.394 -0.184 19151 11031 1 15 . 1 1 44 44 TRP C C 44 177.150 177.150 177.719 -0.569 19151 11032 1 15 . 1 1 44 44 TRP CA C 44 59.387 59.387 59.056 0.331 19151 11033 1 15 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.409 -0.099 19151 11034 1 15 . 1 1 44 44 TRP H H 44 7.464 7.464 7.485 -0.021 19151 11035 1 15 . 1 1 45 45 LEU N N 45 114.100 114.100 120.872 -6.772 19151 11036 1 15 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.045 0.130 19151 11037 1 15 . 1 1 45 45 LEU C C 45 176.300 176.300 175.944 0.356 19151 11038 1 15 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.434 -0.873 19151 11039 1 15 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.311 -0.091 19151 11040 1 15 . 1 1 45 45 LEU H H 45 7.550 7.550 8.535 -0.985 19151 11041 1 15 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.280 0.100 19151 11042 1 15 . 1 1 46 46 PRO C C 46 176.799 176.799 176.667 0.132 19151 11043 1 15 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.213 1.074 19151 11044 1 15 . 1 1 46 46 PRO CB C 46 31.600 31.600 30.833 0.767 19151 11045 1 15 . 1 1 47 47 TYR N N 47 113.790 113.790 117.654 -3.864 19151 11046 1 15 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.686 -0.566 19151 11047 1 15 . 1 1 47 47 TYR C C 47 175.730 175.730 177.647 -1.917 19151 11048 1 15 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.319 1.881 19151 11049 1 15 . 1 1 47 47 TYR CB C 47 38.016 38.016 38.047 -0.031 19151 11050 1 15 . 1 1 47 47 TYR H H 47 8.291 8.291 8.262 0.029 19151 11051 1 15 . 1 1 48 48 GLN N N 48 116.524 116.524 120.038 -3.514 19151 11052 1 15 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.971 -0.086 19151 11053 1 15 . 1 1 48 48 GLN C C 48 174.381 174.381 176.280 -1.899 19151 11054 1 15 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.408 0.418 19151 11055 1 15 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.879 2.121 19151 11056 1 15 . 1 1 48 48 GLN H H 48 7.300 7.300 7.553 -0.253 19151 11057 1 15 . 1 1 49 49 ASP N N 49 114.657 114.657 111.536 3.121 19151 11058 1 15 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.635 0.052 19151 11059 1 15 . 1 1 49 49 ASP C C 49 176.307 176.307 175.615 0.692 19151 11060 1 15 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.948 -2.213 19151 11061 1 15 . 1 1 49 49 ASP CB C 49 40.200 40.200 40.549 -0.349 19151 11062 1 15 . 1 1 49 49 ASP H H 49 7.854 7.854 8.339 -0.485 19151 11063 1 15 . 1 1 50 50 LYS N N 50 123.514 123.514 118.837 4.677 19151 11064 1 15 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.127 0.463 19151 11065 1 15 . 1 1 50 50 LYS C C 50 172.964 172.964 174.231 -1.267 19151 11066 1 15 . 1 1 50 50 LYS CA C 50 54.693 54.693 54.891 -0.198 19151 11067 1 15 . 1 1 50 50 LYS CB C 50 33.500 33.500 35.436 -1.936 19151 11068 1 15 . 1 1 50 50 LYS H H 50 7.833 7.833 7.517 0.316 19151 11069 1 15 . 1 1 51 51 TYR N N 51 118.375 118.375 115.895 2.480 19151 11070 1 15 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.771 0.284 19151 11071 1 15 . 1 1 51 51 TYR C C 51 175.875 175.875 176.027 -0.152 19151 11072 1 15 . 1 1 51 51 TYR CA C 51 56.421 56.421 56.097 0.324 19151 11073 1 15 . 1 1 51 51 TYR CB C 51 42.477 42.477 41.099 1.378 19151 11074 1 15 . 1 1 51 51 TYR H H 51 7.745 7.745 7.966 -0.221 19151 11075 1 15 . 1 1 52 52 VAL N N 52 112.527 112.527 115.681 -3.154 19151 11076 1 15 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.852 0.648 19151 11077 1 15 . 1 1 52 52 VAL C C 52 173.910 173.910 174.114 -0.204 19151 11078 1 15 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.973 -2.277 19151 11079 1 15 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.088 1.404 19151 11080 1 15 . 1 1 52 52 VAL H H 52 8.673 8.673 8.558 0.115 19151 11081 1 15 . 1 1 53 53 LEU N N 53 124.294 124.294 124.945 -0.651 19151 11082 1 15 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.362 -0.462 19151 11083 1 15 . 1 1 53 53 LEU C C 53 175.070 175.070 174.768 0.302 19151 11084 1 15 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.112 -0.546 19151 11085 1 15 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.158 -0.929 19151 11086 1 15 . 1 1 53 53 LEU H H 53 9.137 9.137 9.233 -0.096 19151 11087 1 15 . 1 1 54 54 VAL N N 54 127.850 127.850 127.346 0.504 19151 11088 1 15 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.586 -0.076 19151 11089 1 15 . 1 1 54 54 VAL C C 54 174.030 174.030 174.513 -0.483 19151 11090 1 15 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.743 0.082 19151 11091 1 15 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.343 -0.652 19151 11092 1 15 . 1 1 54 54 VAL H H 54 8.619 8.619 8.904 -0.285 19151 11093 1 15 . 1 1 55 55 VAL N N 55 127.181 127.181 128.227 -1.046 19151 11094 1 15 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.892 0.193 19151 11095 1 15 . 1 1 55 55 VAL C C 55 174.942 174.942 174.529 0.413 19151 11096 1 15 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.726 -0.657 19151 11097 1 15 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.256 -0.034 19151 11098 1 15 . 1 1 55 55 VAL H H 55 8.578 8.578 9.059 -0.481 19151 11099 1 15 . 1 1 56 56 THR N N 56 117.420 117.420 122.641 -5.221 19151 11100 1 15 . 1 1 56 56 THR HA H 56 5.590 5.590 5.185 0.405 19151 11101 1 15 . 1 1 56 56 THR C C 56 172.640 172.640 172.683 -0.043 19151 11102 1 15 . 1 1 56 56 THR CA C 56 59.359 59.359 60.408 -1.049 19151 11103 1 15 . 1 1 56 56 THR CB C 56 70.715 70.715 70.702 0.013 19151 11104 1 15 . 1 1 56 56 THR H H 56 8.710 8.710 8.809 -0.099 19151 11105 1 15 . 1 1 57 57 SER HA H 57 5.250 5.250 4.979 0.271 19151 11106 1 15 . 1 1 57 57 SER CA C 57 57.730 57.730 56.720 1.010 19151 11107 1 15 . 1 1 57 57 SER CB C 57 64.500 64.500 64.146 0.354 19151 11108 1 15 . 1 1 57 57 SER H H 57 8.075 8.075 8.418 -0.343 19151 11109 1 15 . 1 1 58 58 THR H H 58 7.900 7.900 8.851 -0.951 19151 11110 1 15 . 1 1 59 59 THR HA H 59 4.900 4.900 3.893 1.007 19151 11111 1 15 . 1 1 59 59 THR CA C 59 61.200 61.200 65.415 -4.215 19151 11112 1 15 . 1 1 59 59 THR CB C 59 73.400 73.400 68.392 5.008 19151 11113 1 15 . 1 1 59 59 THR H H 59 9.230 9.230 8.219 1.011 19151 11114 1 15 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.719 0.781 19151 11115 1 15 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.044 0.362 19151 11116 1 15 . 1 1 61 61 GLN C C 61 175.950 175.950 176.235 -0.285 19151 11117 1 15 . 1 1 61 61 GLN CA C 61 55.350 55.350 56.671 -1.321 19151 11118 1 15 . 1 1 61 61 GLN CB C 61 29.160 29.160 28.163 0.997 19151 11119 1 15 . 1 1 62 62 GLY N N 62 108.420 108.420 106.834 1.586 19151 11120 1 15 . 1 1 62 62 GLY C C 62 173.134 173.134 173.546 -0.412 19151 11121 1 15 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.817 0.967 19151 11122 1 15 . 1 1 62 62 GLY H H 62 8.073 8.073 8.076 -0.003 19151 11123 1 15 . 1 1 63 63 ASP N N 63 118.400 118.400 120.034 -1.634 19151 11124 1 15 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.697 0.083 19151 11125 1 15 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.693 0.603 19151 11126 1 15 . 1 1 63 63 ASP CB C 63 42.740 42.740 42.773 -0.033 19151 11127 1 15 . 1 1 63 63 ASP H H 63 7.248 7.248 7.651 -0.403 19151 11128 1 15 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.436 -0.036 19151 11129 1 15 . 1 1 64 64 LEU CA C 64 53.150 53.150 52.320 0.830 19151 11130 1 15 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.491 -0.804 19151 11131 1 15 . 1 1 64 64 LEU H H 64 8.445 8.445 8.014 0.431 19151 11132 1 15 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.377 -0.084 19151 11133 1 15 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.412 -0.068 19151 11134 1 15 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.608 -0.127 19151 11135 1 15 . 1 1 66 66 ASP N N 66 121.200 121.200 123.094 -1.894 19151 11136 1 15 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.371 -0.111 19151 11137 1 15 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.352 1.278 19151 11138 1 15 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.894 -0.094 19151 11139 1 15 . 1 1 66 66 ASP H H 66 8.605 8.605 8.640 -0.035 19151 11140 1 15 . 1 1 67 67 SER HA H 67 4.292 4.292 4.201 0.091 19151 11141 1 15 . 1 1 67 67 SER C C 67 175.650 175.650 175.124 0.526 19151 11142 1 15 . 1 1 67 67 SER CA C 67 60.500 60.500 60.899 -0.399 19151 11143 1 15 . 1 1 67 67 SER CB C 67 63.530 63.530 63.774 -0.244 19151 11144 1 15 . 1 1 68 68 ILE N N 68 120.550 120.550 120.905 -0.355 19151 11145 1 15 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.437 0.673 19151 11146 1 15 . 1 1 68 68 ILE C C 68 174.713 174.713 176.596 -1.883 19151 11147 1 15 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.763 -0.363 19151 11148 1 15 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.390 3.850 19151 11149 1 15 . 1 1 68 68 ILE H H 68 7.870 7.870 7.494 0.376 19151 11150 1 15 . 1 1 69 69 VAL N N 69 125.740 125.740 123.348 2.392 19151 11151 1 15 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.635 0.110 19151 11152 1 15 . 1 1 69 69 VAL C C 69 174.500 174.500 174.979 -0.479 19151 11153 1 15 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.455 -0.905 19151 11154 1 15 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.462 0.668 19151 11155 1 15 . 1 1 69 69 VAL H H 69 7.428 7.428 8.502 -1.074 19151 11156 1 15 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.327 -0.035 19151 11157 1 15 . 1 1 70 70 PRO C C 70 180.820 180.820 178.848 1.972 19151 11158 1 15 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.013 0.457 19151 11159 1 15 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.217 -0.560 19151 11160 1 15 . 1 1 71 71 LEU N N 71 119.467 119.467 120.323 -0.856 19151 11161 1 15 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.027 -0.182 19151 11162 1 15 . 1 1 71 71 LEU C C 71 176.489 176.489 178.347 -1.858 19151 11163 1 15 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.923 0.284 19151 11164 1 15 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.766 -0.280 19151 11165 1 15 . 1 1 71 71 LEU H H 71 7.918 7.918 7.364 0.554 19151 11166 1 15 . 1 1 72 72 PHE N N 72 119.361 119.361 119.294 0.067 19151 11167 1 15 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.285 -0.140 19151 11168 1 15 . 1 1 72 72 PHE C C 72 175.968 175.968 177.121 -1.153 19151 11169 1 15 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.675 0.146 19151 11170 1 15 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.657 0.890 19151 11171 1 15 . 1 1 72 72 PHE H H 72 7.903 7.903 8.633 -0.730 19151 11172 1 15 . 1 1 73 73 GLN N N 73 116.100 116.100 117.082 -0.982 19151 11173 1 15 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.653 -0.126 19151 11174 1 15 . 1 1 73 73 GLN C C 73 177.871 177.871 178.528 -0.657 19151 11175 1 15 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.751 -0.611 19151 11176 1 15 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.479 -0.332 19151 11177 1 15 . 1 1 73 73 GLN H H 73 9.042 9.042 8.747 0.295 19151 11178 1 15 . 1 1 74 74 GLY N N 74 107.110 107.110 108.621 -1.511 19151 11179 1 15 . 1 1 74 74 GLY C C 74 175.894 175.894 176.062 -0.168 19151 11180 1 15 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.862 0.418 19151 11181 1 15 . 1 1 74 74 GLY H H 74 8.045 8.045 8.012 0.033 19151 11182 1 15 . 1 1 75 75 ILE N N 75 123.629 123.629 122.788 0.841 19151 11183 1 15 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.343 -0.293 19151 11184 1 15 . 1 1 75 75 ILE C C 75 178.622 178.622 177.101 1.521 19151 11185 1 15 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.817 0.440 19151 11186 1 15 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.372 0.596 19151 11187 1 15 . 1 1 75 75 ILE H H 75 8.174 8.174 8.101 0.073 19151 11188 1 15 . 1 1 76 76 LYS N N 76 119.363 119.363 118.381 0.982 19151 11189 1 15 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.777 -0.472 19151 11190 1 15 . 1 1 76 76 LYS C C 76 177.909 177.909 178.201 -0.292 19151 11191 1 15 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.216 0.489 19151 11192 1 15 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.933 0.417 19151 11193 1 15 . 1 1 76 76 LYS H H 76 7.600 7.600 7.502 0.098 19151 11194 1 15 . 1 1 77 77 ASP N N 77 115.190 115.190 118.186 -2.996 19151 11195 1 15 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.636 -0.154 19151 11196 1 15 . 1 1 77 77 ASP C C 77 178.825 178.825 178.030 0.795 19151 11197 1 15 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.711 0.570 19151 11198 1 15 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.874 -0.684 19151 11199 1 15 . 1 1 77 77 ASP H H 77 8.482 8.482 8.200 0.282 19151 11200 1 15 . 1 1 78 78 SER N N 78 112.576 112.576 115.816 -3.240 19151 11201 1 15 . 1 1 78 78 SER HA H 78 4.728 4.728 4.382 0.346 19151 11202 1 15 . 1 1 78 78 SER C C 78 174.556 174.556 174.965 -0.409 19151 11203 1 15 . 1 1 78 78 SER CA C 78 60.045 60.045 59.829 0.216 19151 11204 1 15 . 1 1 78 78 SER CB C 78 64.643 64.643 63.997 0.646 19151 11205 1 15 . 1 1 78 78 SER H H 78 8.273 8.273 7.969 0.304 19151 11206 1 15 . 1 1 79 79 LEU N N 79 120.833 120.833 121.133 -0.300 19151 11207 1 15 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.384 0.431 19151 11208 1 15 . 1 1 79 79 LEU C C 79 176.251 176.251 178.784 -2.533 19151 11209 1 15 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.176 -2.216 19151 11210 1 15 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.155 -2.959 19151 11211 1 15 . 1 1 79 79 LEU H H 79 7.025 7.025 7.419 -0.394 19151 11212 1 15 . 1 1 80 80 GLY N N 80 108.861 108.861 106.956 1.905 19151 11213 1 15 . 1 1 80 80 GLY C C 80 173.623 173.623 173.615 0.008 19151 11214 1 15 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.495 -0.266 19151 11215 1 15 . 1 1 80 80 GLY H H 80 7.499 7.499 8.147 -0.648 19151 11216 1 15 . 1 1 81 81 PHE N N 81 121.441 121.441 119.244 2.197 19151 11217 1 15 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.774 0.286 19151 11218 1 15 . 1 1 81 81 PHE C C 81 174.411 174.411 172.504 1.907 19151 11219 1 15 . 1 1 81 81 PHE CA C 81 57.211 57.211 56.981 0.230 19151 11220 1 15 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.454 -0.834 19151 11221 1 15 . 1 1 81 81 PHE H H 81 8.018 8.018 7.459 0.559 19151 11222 1 15 . 1 1 82 82 GLN N N 82 126.480 126.480 121.853 4.627 19151 11223 1 15 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.579 0.311 19151 11224 1 15 . 1 1 82 82 GLN C C 82 172.700 172.700 173.377 -0.677 19151 11225 1 15 . 1 1 82 82 GLN CA C 82 54.177 54.177 51.879 2.298 19151 11226 1 15 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.882 1.718 19151 11227 1 15 . 1 1 82 82 GLN H H 82 9.588 9.588 7.321 2.267 19151 11228 1 15 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.381 -0.008 19151 11229 1 15 . 1 1 83 83 PRO C C 83 178.163 178.163 176.674 1.489 19151 11230 1 15 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.072 -0.381 19151 11231 1 15 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.768 -0.903 19151 11232 1 15 . 1 1 84 84 ASN N N 84 116.900 116.900 114.052 2.848 19151 11233 1 15 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.867 -0.098 19151 11234 1 15 . 1 1 84 84 ASN C C 84 173.332 173.332 173.766 -0.434 19151 11235 1 15 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.608 -0.048 19151 11236 1 15 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.584 -1.323 19151 11237 1 15 . 1 1 84 84 ASN H H 84 8.578 8.578 8.135 0.443 19151 11238 1 15 . 1 1 85 85 LEU N N 85 124.380 124.380 122.962 1.418 19151 11239 1 15 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.324 -0.278 19151 11240 1 15 . 1 1 85 85 LEU C C 85 175.880 175.880 175.779 0.101 19151 11241 1 15 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.947 0.895 19151 11242 1 15 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.172 -0.872 19151 11243 1 15 . 1 1 85 85 LEU H H 85 7.240 7.240 7.662 -0.422 19151 11244 1 15 . 1 1 86 86 ARG N N 86 128.715 128.715 124.553 4.162 19151 11245 1 15 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.092 0.702 19151 11246 1 15 . 1 1 86 86 ARG C C 86 175.554 175.554 174.595 0.959 19151 11247 1 15 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.205 0.237 19151 11248 1 15 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.783 -1.910 19151 11249 1 15 . 1 1 86 86 ARG H H 86 7.732 7.732 8.162 -0.430 19151 11250 1 15 . 1 1 87 87 TYR N N 87 117.420 117.420 120.140 -2.720 19151 11251 1 15 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.638 1.127 19151 11252 1 15 . 1 1 87 87 TYR C C 87 172.931 172.931 173.247 -0.316 19151 11253 1 15 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.492 -1.231 19151 11254 1 15 . 1 1 87 87 TYR CB C 87 44.938 44.938 42.137 2.801 19151 11255 1 15 . 1 1 87 87 TYR H H 87 8.783 8.783 8.204 0.579 19151 11256 1 15 . 1 1 88 88 GLY N N 88 107.765 107.765 106.104 1.661 19151 11257 1 15 . 1 1 88 88 GLY C C 88 172.621 172.621 170.976 1.645 19151 11258 1 15 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.682 1.179 19151 11259 1 15 . 1 1 88 88 GLY H H 88 8.905 8.905 8.941 -0.036 19151 11260 1 15 . 1 1 89 89 VAL N N 89 118.180 118.180 117.983 0.197 19151 11261 1 15 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.952 0.049 19151 11262 1 15 . 1 1 89 89 VAL C C 89 172.939 172.939 172.876 0.063 19151 11263 1 15 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.080 0.919 19151 11264 1 15 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.050 1.348 19151 11265 1 15 . 1 1 89 89 VAL H H 89 7.499 7.499 8.124 -0.625 19151 11266 1 15 . 1 1 90 90 ILE N N 90 125.000 125.000 126.771 -1.771 19151 11267 1 15 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.257 -0.130 19151 11268 1 15 . 1 1 90 90 ILE C C 90 173.099 173.099 173.846 -0.747 19151 11269 1 15 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.397 1.091 19151 11270 1 15 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.544 -0.146 19151 11271 1 15 . 1 1 90 90 ILE H H 90 8.810 8.810 8.767 0.043 19151 11272 1 15 . 1 1 91 91 ALA N N 91 129.036 129.036 129.845 -0.809 19151 11273 1 15 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.405 -0.079 19151 11274 1 15 . 1 1 91 91 ALA C C 91 174.000 174.000 175.817 -1.817 19151 11275 1 15 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.664 -0.665 19151 11276 1 15 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.148 0.952 19151 11277 1 15 . 1 1 91 91 ALA H H 91 9.253 9.253 8.927 0.326 19151 11278 1 15 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.124 -0.193 19151 11279 1 15 . 1 1 92 92 LEU C C 92 177.366 177.366 176.382 0.984 19151 11280 1 15 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.217 0.700 19151 11281 1 15 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.119 -2.719 19151 11282 1 15 . 1 1 93 93 GLY N N 93 110.663 110.663 107.741 2.922 19151 11283 1 15 . 1 1 93 93 GLY C C 93 172.029 172.029 172.282 -0.253 19151 11284 1 15 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.873 -0.143 19151 11285 1 15 . 1 1 93 93 GLY H H 93 8.687 8.687 9.056 -0.369 19151 11286 1 15 . 1 1 94 94 ASP N N 94 119.304 119.304 121.278 -1.974 19151 11287 1 15 . 1 1 94 94 ASP HA H 94 5.260 5.260 4.924 0.336 19151 11288 1 15 . 1 1 94 94 ASP C C 94 176.978 176.978 177.651 -0.673 19151 11289 1 15 . 1 1 94 94 ASP CA C 94 53.607 53.607 53.187 0.420 19151 11290 1 15 . 1 1 94 94 ASP CB C 94 43.000 43.000 41.802 1.198 19151 11291 1 15 . 1 1 94 94 ASP H H 94 8.129 8.129 8.409 -0.280 19151 11292 1 15 . 1 1 95 95 SER N N 95 123.897 123.897 122.657 1.240 19151 11293 1 15 . 1 1 95 95 SER HA H 95 3.895 3.895 4.456 -0.561 19151 11294 1 15 . 1 1 95 95 SER C C 95 175.243 175.243 175.403 -0.160 19151 11295 1 15 . 1 1 95 95 SER CA C 95 60.183 60.183 59.599 0.584 19151 11296 1 15 . 1 1 95 95 SER CB C 95 61.700 61.700 62.798 -1.098 19151 11297 1 15 . 1 1 95 95 SER H H 95 8.878 8.878 8.603 0.275 19151 11298 1 15 . 1 1 96 96 SER N N 96 119.248 119.248 116.703 2.545 19151 11299 1 15 . 1 1 96 96 SER HA H 96 4.209 4.209 4.209 0.000 19151 11300 1 15 . 1 1 96 96 SER C C 96 173.900 173.900 174.928 -1.028 19151 11301 1 15 . 1 1 96 96 SER CA C 96 60.197 60.197 59.847 0.350 19151 11302 1 15 . 1 1 96 96 SER CB C 96 63.000 63.000 63.441 -0.441 19151 11303 1 15 . 1 1 96 96 SER H H 96 9.124 9.124 8.255 0.869 19151 11304 1 15 . 1 1 97 97 TYR N N 97 120.889 120.889 119.905 0.984 19151 11305 1 15 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.447 0.441 19151 11306 1 15 . 1 1 97 97 TYR C C 97 175.972 175.972 176.239 -0.267 19151 11307 1 15 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.572 -2.822 19151 11308 1 15 . 1 1 97 97 TYR CB C 97 39.820 39.820 38.958 0.862 19151 11309 1 15 . 1 1 97 97 TYR H H 97 7.664 7.664 7.388 0.276 19151 11310 1 15 . 1 1 98 98 VAL N N 98 116.952 116.952 118.595 -1.643 19151 11311 1 15 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.991 0.069 19151 11312 1 15 . 1 1 98 98 VAL C C 98 175.969 175.969 176.632 -0.663 19151 11313 1 15 . 1 1 98 98 VAL CA C 98 62.840 62.840 62.675 0.165 19151 11314 1 15 . 1 1 98 98 VAL CB C 98 32.600 32.600 32.053 0.547 19151 11315 1 15 . 1 1 98 98 VAL H H 98 7.970 7.970 8.221 -0.251 19151 11316 1 15 . 1 1 99 99 ASN N N 99 118.156 118.156 114.461 3.695 19151 11317 1 15 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.368 0.143 19151 11318 1 15 . 1 1 99 99 ASN C C 99 174.329 174.329 174.611 -0.282 19151 11319 1 15 . 1 1 99 99 ASN CA C 99 53.031 53.031 53.842 -0.811 19151 11320 1 15 . 1 1 99 99 ASN CB C 99 37.238 37.238 36.590 0.648 19151 11321 1 15 . 1 1 99 99 ASN H H 99 8.296 8.296 8.682 -0.386 19151 11322 1 15 . 1 1 100 100 PHE N N 100 118.649 118.649 119.353 -0.704 19151 11323 1 15 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.266 0.149 19151 11324 1 15 . 1 1 100 100 PHE C C 100 174.400 174.400 175.946 -1.546 19151 11325 1 15 . 1 1 100 100 PHE CA C 100 58.190 58.190 59.949 -1.759 19151 11326 1 15 . 1 1 100 100 PHE CB C 100 39.679 39.679 39.513 0.166 19151 11327 1 15 . 1 1 100 100 PHE H H 100 7.855 7.855 8.352 -0.497 19151 11328 1 15 . 1 1 101 101 CYS HA H 101 3.585 3.585 3.672 -0.087 19151 11329 1 15 . 1 1 101 101 CYS CA C 101 62.740 62.740 60.066 2.674 19151 11330 1 15 . 1 1 101 101 CYS CB C 101 26.000 26.000 25.739 0.261 19151 11331 1 15 . 1 1 101 101 CYS H H 101 9.240 9.240 8.498 0.742 19151 11332 1 15 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.421 -0.201 19151 11333 1 15 . 1 1 102 102 ASN CA C 102 57.200 57.200 55.958 1.242 19151 11334 1 15 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.572 0.028 19151 11335 1 15 . 1 1 102 102 ASN H H 102 8.300 8.300 7.932 0.368 19151 11336 1 15 . 1 1 103 103 GLY C C 103 175.690 175.690 175.900 -0.210 19151 11337 1 15 . 1 1 103 103 GLY CA C 103 47.350 47.350 46.975 0.375 19151 11338 1 15 . 1 1 104 104 GLY N N 104 106.150 106.150 109.362 -3.212 19151 11339 1 15 . 1 1 104 104 GLY C C 104 174.570 174.570 176.233 -1.663 19151 11340 1 15 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.098 1.252 19151 11341 1 15 . 1 1 104 104 GLY H H 104 7.108 7.108 7.629 -0.521 19151 11342 1 15 . 1 1 105 105 LYS N N 105 120.732 120.732 122.243 -1.511 19151 11343 1 15 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.986 -0.049 19151 11344 1 15 . 1 1 105 105 LYS C C 105 179.706 179.706 179.008 0.698 19151 11345 1 15 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.813 0.494 19151 11346 1 15 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.199 -0.402 19151 11347 1 15 . 1 1 105 105 LYS H H 105 7.708 7.708 7.613 0.095 19151 11348 1 15 . 1 1 106 106 GLN N N 106 119.087 119.087 117.400 1.687 19151 11349 1 15 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.214 -0.072 19151 11350 1 15 . 1 1 106 106 GLN C C 106 179.418 179.418 178.452 0.966 19151 11351 1 15 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.344 0.531 19151 11352 1 15 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.328 0.431 19151 11353 1 15 . 1 1 106 106 GLN H H 106 8.738 8.738 8.489 0.249 19151 11354 1 15 . 1 1 107 107 PHE N N 107 123.088 123.088 119.629 3.459 19151 11355 1 15 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.287 -0.037 19151 11356 1 15 . 1 1 107 107 PHE C C 107 178.403 178.403 177.834 0.569 19151 11357 1 15 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.976 0.209 19151 11358 1 15 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.919 0.532 19151 11359 1 15 . 1 1 107 107 PHE H H 107 7.922 7.922 7.749 0.173 19151 11360 1 15 . 1 1 108 108 ASP N N 108 117.118 117.118 120.158 -3.040 19151 11361 1 15 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.599 -0.225 19151 11362 1 15 . 1 1 108 108 ASP C C 108 176.973 176.973 178.018 -1.045 19151 11363 1 15 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.740 0.688 19151 11364 1 15 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.058 3.065 19151 11365 1 15 . 1 1 108 108 ASP H H 108 8.305 8.305 8.060 0.245 19151 11366 1 15 . 1 1 109 109 ALA N N 109 118.590 118.590 122.776 -4.186 19151 11367 1 15 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.095 -0.045 19151 11368 1 15 . 1 1 109 109 ALA C C 109 180.430 180.430 179.657 0.773 19151 11369 1 15 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.095 0.101 19151 11370 1 15 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.351 -0.244 19151 11371 1 15 . 1 1 109 109 ALA H H 109 8.332 8.332 7.921 0.411 19151 11372 1 15 . 1 1 110 110 LEU N N 110 120.402 120.402 120.135 0.267 19151 11373 1 15 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.828 0.257 19151 11374 1 15 . 1 1 110 110 LEU C C 110 177.801 177.801 179.002 -1.201 19151 11375 1 15 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.591 0.049 19151 11376 1 15 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.896 0.860 19151 11377 1 15 . 1 1 110 110 LEU H H 110 7.868 7.868 7.839 0.029 19151 11378 1 15 . 1 1 111 111 LEU N N 111 116.945 116.945 117.284 -0.339 19151 11379 1 15 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.807 -0.089 19151 11380 1 15 . 1 1 111 111 LEU C C 111 179.838 179.838 179.395 0.443 19151 11381 1 15 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.811 0.154 19151 11382 1 15 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.358 -2.498 19151 11383 1 15 . 1 1 111 111 LEU H H 111 7.704 7.704 7.421 0.283 19151 11384 1 15 . 1 1 112 112 GLN N N 112 118.484 118.484 117.641 0.843 19151 11385 1 15 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.117 0.024 19151 11386 1 15 . 1 1 112 112 GLN C C 112 181.218 181.218 178.733 2.485 19151 11387 1 15 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.817 1.149 19151 11388 1 15 . 1 1 112 112 GLN CB C 112 29.260 29.260 27.975 1.285 19151 11389 1 15 . 1 1 112 112 GLN H H 112 8.441 8.441 7.684 0.757 19151 11390 1 15 . 1 1 113 113 GLU N N 113 122.905 122.905 118.437 4.468 19151 11391 1 15 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.080 0.101 19151 11392 1 15 . 1 1 113 113 GLU C C 113 178.001 178.001 177.978 0.023 19151 11393 1 15 . 1 1 113 113 GLU CA C 113 58.985 58.985 58.375 0.610 19151 11394 1 15 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.292 -0.022 19151 11395 1 15 . 1 1 113 113 GLU H H 113 8.305 8.305 8.071 0.234 19151 11396 1 15 . 1 1 114 114 GLN N N 114 117.332 117.332 117.282 0.050 19151 11397 1 15 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.268 0.327 19151 11398 1 15 . 1 1 114 114 GLN C C 114 174.538 174.538 177.015 -2.477 19151 11399 1 15 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.713 -1.296 19151 11400 1 15 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.027 -4.197 19151 11401 1 15 . 1 1 114 114 GLN H H 114 7.520 7.520 7.504 0.016 19151 11402 1 15 . 1 1 115 115 SER N N 115 109.100 109.100 109.622 -0.522 19151 11403 1 15 . 1 1 115 115 SER HA H 115 4.200 4.200 4.447 -0.247 19151 11404 1 15 . 1 1 115 115 SER C C 115 172.302 172.302 173.073 -0.771 19151 11405 1 15 . 1 1 115 115 SER CA C 115 60.400 60.400 58.478 1.922 19151 11406 1 15 . 1 1 115 115 SER CB C 115 61.325 61.325 64.900 -3.575 19151 11407 1 15 . 1 1 115 115 SER H H 115 7.950 7.950 8.112 -0.162 19151 11408 1 15 . 1 1 116 116 ALA N N 116 121.059 121.059 124.798 -3.739 19151 11409 1 15 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.276 0.518 19151 11410 1 15 . 1 1 116 116 ALA C C 116 176.774 176.774 176.342 0.432 19151 11411 1 15 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.228 -0.538 19151 11412 1 15 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.328 1.037 19151 11413 1 15 . 1 1 116 116 ALA H H 116 7.813 7.813 7.951 -0.138 19151 11414 1 15 . 1 1 117 117 GLN N N 117 118.000 118.000 118.857 -0.857 19151 11415 1 15 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.644 -0.026 19151 11416 1 15 . 1 1 117 117 GLN C C 117 173.769 173.769 175.578 -1.809 19151 11417 1 15 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.733 -0.177 19151 11418 1 15 . 1 1 117 117 GLN CB C 117 30.735 30.735 30.778 -0.043 19151 11419 1 15 . 1 1 117 117 GLN H H 117 8.591 8.591 8.471 0.120 19151 11420 1 15 . 1 1 118 118 ARG N N 118 127.947 127.947 120.033 7.914 19151 11421 1 15 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.094 -1.786 19151 11422 1 15 . 1 1 118 118 ARG C C 118 176.758 176.758 174.979 1.779 19151 11423 1 15 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.827 1.359 19151 11424 1 15 . 1 1 118 118 ARG CB C 118 30.310 30.310 33.753 -3.443 19151 11425 1 15 . 1 1 118 118 ARG H H 118 8.659 8.659 8.528 0.131 19151 11426 1 15 . 1 1 119 119 VAL N N 119 131.939 131.939 120.637 11.302 19151 11427 1 15 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.231 -0.118 19151 11428 1 15 . 1 1 119 119 VAL C C 119 176.775 176.775 175.615 1.160 19151 11429 1 15 . 1 1 119 119 VAL CA C 119 62.174 62.174 60.737 1.437 19151 11430 1 15 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.495 -1.101 19151 11431 1 15 . 1 1 119 119 VAL H H 119 9.520 9.520 8.721 0.799 19151 11432 1 15 . 1 1 120 120 GLY N N 120 116.074 116.074 107.350 8.724 19151 11433 1 15 . 1 1 120 120 GLY C C 120 172.757 172.757 174.322 -1.565 19151 11434 1 15 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.060 -1.162 19151 11435 1 15 . 1 1 120 120 GLY H H 120 8.755 8.755 8.303 0.452 19151 11436 1 15 . 1 1 121 121 GLU N N 121 118.754 118.754 121.448 -2.694 19151 11437 1 15 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.219 0.447 19151 11438 1 15 . 1 1 121 121 GLU C C 121 177.419 177.419 177.362 0.057 19151 11439 1 15 . 1 1 121 121 GLU CA C 121 54.491 54.491 57.325 -2.834 19151 11440 1 15 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.495 1.003 19151 11441 1 15 . 1 1 121 121 GLU H H 121 8.594 8.594 8.539 0.055 19151 11442 1 15 . 1 1 122 122 MET N N 122 122.642 122.642 121.824 0.818 19151 11443 1 15 . 1 1 122 122 MET HA H 122 4.415 4.415 4.861 -0.446 19151 11444 1 15 . 1 1 122 122 MET C C 122 175.351 175.351 175.058 0.293 19151 11445 1 15 . 1 1 122 122 MET CA C 122 57.024 57.024 54.889 2.135 19151 11446 1 15 . 1 1 122 122 MET CB C 122 34.210 34.210 33.288 0.922 19151 11447 1 15 . 1 1 122 122 MET H H 122 8.892 8.892 8.420 0.472 19151 11448 1 15 . 1 1 123 123 LEU N N 123 129.535 129.535 122.305 7.230 19151 11449 1 15 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.403 -0.053 19151 11450 1 15 . 1 1 123 123 LEU C C 123 173.124 173.124 174.456 -1.332 19151 11451 1 15 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.004 0.735 19151 11452 1 15 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.578 -1.500 19151 11453 1 15 . 1 1 123 123 LEU H H 123 7.868 7.868 7.542 0.326 19151 11454 1 15 . 1 1 124 124 LEU N N 124 127.120 127.120 126.026 1.094 19151 11455 1 15 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.679 0.376 19151 11456 1 15 . 1 1 124 124 LEU C C 124 176.379 176.379 176.175 0.204 19151 11457 1 15 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.240 0.309 19151 11458 1 15 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.653 -1.275 19151 11459 1 15 . 1 1 124 124 LEU H H 124 8.346 8.346 8.277 0.069 19151 11460 1 15 . 1 1 125 125 ILE N N 125 124.337 124.337 125.659 -1.322 19151 11461 1 15 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.233 -0.053 19151 11462 1 15 . 1 1 125 125 ILE C C 125 174.303 174.303 174.987 -0.684 19151 11463 1 15 . 1 1 125 125 ILE CA C 125 61.100 61.100 61.000 0.100 19151 11464 1 15 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.811 -0.868 19151 11465 1 15 . 1 1 125 125 ILE H H 125 8.974 8.974 8.750 0.224 19151 11466 1 15 . 1 1 126 126 ASP N N 126 127.113 127.113 129.031 -1.918 19151 11467 1 15 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.521 -0.406 19151 11468 1 15 . 1 1 126 126 ASP C C 126 176.766 176.766 176.476 0.290 19151 11469 1 15 . 1 1 126 126 ASP CA C 126 51.847 51.847 53.737 -1.890 19151 11470 1 15 . 1 1 126 126 ASP CB C 126 41.100 41.100 40.236 0.864 19151 11471 1 15 . 1 1 126 126 ASP H H 126 9.397 9.397 8.977 0.420 19151 11472 1 15 . 1 1 127 127 ALA N N 127 131.178 131.178 130.281 0.897 19151 11473 1 15 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.593 -0.277 19151 11474 1 15 . 1 1 127 127 ALA C C 127 178.530 178.530 178.332 0.198 19151 11475 1 15 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.095 -0.248 19151 11476 1 15 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.217 -0.425 19151 11477 1 15 . 1 1 127 127 ALA H H 127 9.696 9.696 8.798 0.898 19151 11478 1 15 . 1 1 128 128 SER N N 128 112.064 112.064 113.256 -1.192 19151 11479 1 15 . 1 1 128 128 SER HA H 128 4.224 4.224 4.162 0.062 19151 11480 1 15 . 1 1 128 128 SER C C 128 175.000 175.000 175.564 -0.564 19151 11481 1 15 . 1 1 128 128 SER CA C 128 61.246 61.246 60.489 0.757 19151 11482 1 15 . 1 1 128 128 SER CB C 128 63.310 63.310 63.379 -0.069 19151 11483 1 15 . 1 1 128 128 SER H H 128 8.373 8.373 8.298 0.075 19151 11484 1 15 . 1 1 129 129 GLU N N 129 119.468 119.468 119.029 0.439 19151 11485 1 15 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.485 -0.085 19151 11486 1 15 . 1 1 129 129 GLU C C 129 175.947 175.947 175.941 0.006 19151 11487 1 15 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.543 -0.128 19151 11488 1 15 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.948 -0.218 19151 11489 1 15 . 1 1 129 129 GLU H H 129 7.267 7.267 7.642 -0.375 19151 11490 1 15 . 1 1 130 130 ASN N N 130 115.968 115.968 118.658 -2.690 19151 11491 1 15 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.132 0.034 19151 11492 1 15 . 1 1 130 130 ASN C C 130 172.000 172.000 173.940 -1.940 19151 11493 1 15 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.694 -0.471 19151 11494 1 15 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.822 -0.156 19151 11495 1 15 . 1 1 130 130 ASN H H 130 8.072 8.072 8.396 -0.324 19151 11496 1 15 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.576 -0.026 19151 11497 1 15 . 1 1 131 131 PRO C C 131 176.400 176.400 176.413 -0.013 19151 11498 1 15 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.535 -0.035 19151 11499 1 15 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.870 0.430 19151 11500 1 15 . 1 1 132 132 GLU N N 132 119.000 119.000 119.107 -0.107 19151 11501 1 15 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.793 0.227 19151 11502 1 15 . 1 1 132 132 GLU C C 132 174.200 174.200 175.291 -1.091 19151 11503 1 15 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.184 -0.184 19151 11504 1 15 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.101 0.599 19151 11505 1 15 . 1 1 132 132 GLU H H 132 7.690 7.690 8.107 -0.417 19151 11506 1 15 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.250 -0.250 19151 11507 1 15 . 1 1 133 133 PRO C C 133 177.391 177.391 178.194 -0.803 19151 11508 1 15 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.070 0.398 19151 11509 1 15 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.984 0.161 19151 11510 1 15 . 1 1 134 134 GLU N N 134 122.846 122.846 118.298 4.548 19151 11511 1 15 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.197 1.023 19151 11512 1 15 . 1 1 134 134 GLU C C 134 178.385 178.385 178.837 -0.452 19151 11513 1 15 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.190 -1.598 19151 11514 1 15 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.696 -2.106 19151 11515 1 15 . 1 1 134 134 GLU H H 134 10.707 10.707 8.872 1.835 19151 11516 1 15 . 1 1 135 135 THR N N 135 113.016 113.016 111.058 1.958 19151 11517 1 15 . 1 1 135 135 THR HA H 135 4.182 4.182 4.180 0.002 19151 11518 1 15 . 1 1 135 135 THR C C 135 176.460 176.460 175.966 0.494 19151 11519 1 15 . 1 1 135 135 THR CA C 135 64.752 64.752 65.080 -0.328 19151 11520 1 15 . 1 1 135 135 THR CB C 135 69.248 69.248 68.845 0.403 19151 11521 1 15 . 1 1 135 135 THR H H 135 8.168 8.168 8.178 -0.010 19151 11522 1 15 . 1 1 136 136 GLU N N 136 118.978 118.978 121.603 -2.625 19151 11523 1 15 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.425 0.139 19151 11524 1 15 . 1 1 136 136 GLU C C 136 178.370 178.370 178.583 -0.213 19151 11525 1 15 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.164 -1.251 19151 11526 1 15 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.449 1.651 19151 11527 1 15 . 1 1 136 136 GLU H H 136 7.680 7.680 7.707 -0.027 19151 11528 1 15 . 1 1 137 137 SER N N 137 116.501 116.501 115.815 0.686 19151 11529 1 15 . 1 1 137 137 SER HA H 137 4.033 4.033 4.246 -0.213 19151 11530 1 15 . 1 1 137 137 SER C C 137 175.670 175.670 176.591 -0.921 19151 11531 1 15 . 1 1 137 137 SER CA C 137 62.330 62.330 61.957 0.373 19151 11532 1 15 . 1 1 137 137 SER CB C 137 61.380 61.380 63.126 -1.746 19151 11533 1 15 . 1 1 137 137 SER H H 137 8.824 8.824 8.347 0.477 19151 11534 1 15 . 1 1 138 138 ASN N N 138 123.517 123.517 121.203 2.314 19151 11535 1 15 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.763 -0.172 19151 11536 1 15 . 1 1 138 138 ASN C C 138 175.700 175.700 175.358 0.342 19151 11537 1 15 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.593 -0.107 19151 11538 1 15 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.100 -2.847 19151 11539 1 15 . 1 1 138 138 ASN H H 138 8.564 8.564 8.438 0.126 19151 11540 1 15 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.417 0.038 19151 11541 1 15 . 1 1 139 139 PRO C C 139 180.033 180.033 178.420 1.613 19151 11542 1 15 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.273 0.337 19151 11543 1 15 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.285 -0.749 19151 11544 1 15 . 1 1 140 140 TRP N N 140 119.700 119.700 121.623 -1.923 19151 11545 1 15 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.459 -0.126 19151 11546 1 15 . 1 1 140 140 TRP C C 140 179.195 179.195 177.671 1.524 19151 11547 1 15 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.938 0.242 19151 11548 1 15 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.685 1.066 19151 11549 1 15 . 1 1 140 140 TRP H H 140 7.057 7.057 7.467 -0.410 19151 11550 1 15 . 1 1 141 141 VAL N N 141 122.879 122.879 118.698 4.181 19151 11551 1 15 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.691 0.045 19151 11552 1 15 . 1 1 141 141 VAL C C 141 177.416 177.416 178.666 -1.250 19151 11553 1 15 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.237 -0.521 19151 11554 1 15 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.240 0.192 19151 11555 1 15 . 1 1 141 141 VAL H H 141 9.629 9.629 8.871 0.758 19151 11556 1 15 . 1 1 142 142 GLU N N 142 119.965 119.965 120.323 -0.358 19151 11557 1 15 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.962 -0.230 19151 11558 1 15 . 1 1 142 142 GLU C C 142 178.800 178.800 178.562 0.238 19151 11559 1 15 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.832 -0.500 19151 11560 1 15 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.674 -0.114 19151 11561 1 15 . 1 1 142 142 GLU H H 142 8.551 8.551 8.196 0.355 19151 11562 1 15 . 1 1 143 143 HIS N N 143 115.364 115.364 119.572 -4.208 19151 11563 1 15 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.207 0.083 19151 11564 1 15 . 1 1 143 143 HIS C C 143 177.840 177.840 176.812 1.028 19151 11565 1 15 . 1 1 143 143 HIS CA C 143 59.363 59.363 59.626 -0.263 19151 11566 1 15 . 1 1 143 143 HIS CB C 143 29.362 29.362 29.869 -0.507 19151 11567 1 15 . 1 1 143 143 HIS H H 143 7.380 7.380 7.935 -0.555 19151 11568 1 15 . 1 1 144 144 TRP N N 144 126.680 126.680 121.187 5.493 19151 11569 1 15 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.853 -0.519 19151 11570 1 15 . 1 1 144 144 TRP C C 144 178.200 178.200 178.471 -0.271 19151 11571 1 15 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.755 2.205 19151 11572 1 15 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.367 0.158 19151 11573 1 15 . 1 1 144 144 TRP H H 144 9.215 9.215 8.609 0.606 19151 11574 1 15 . 1 1 145 145 GLY N N 145 100.130 100.130 105.492 -5.362 19151 11575 1 15 . 1 1 145 145 GLY C C 145 177.391 177.391 175.678 1.713 19151 11576 1 15 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.243 -0.483 19151 11577 1 15 . 1 1 145 145 GLY H H 145 8.834 8.834 8.541 0.293 19151 11578 1 15 . 1 1 146 146 THR N N 146 110.831 110.831 114.289 -3.458 19151 11579 1 15 . 1 1 146 146 THR HA H 146 4.319 4.319 4.044 0.275 19151 11580 1 15 . 1 1 146 146 THR C C 146 175.574 175.574 175.424 0.150 19151 11581 1 15 . 1 1 146 146 THR CA C 146 63.260 63.260 63.994 -0.734 19151 11582 1 15 . 1 1 146 146 THR CB C 146 69.660 69.660 68.151 1.509 19151 11583 1 15 . 1 1 146 146 THR H H 146 7.594 7.594 7.489 0.105 19151 11584 1 15 . 1 1 147 147 LEU N N 147 120.678 120.678 120.125 0.553 19151 11585 1 15 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.088 -0.030 19151 11586 1 15 . 1 1 147 147 LEU C C 147 177.176 177.176 176.508 0.668 19151 11587 1 15 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.257 -0.943 19151 11588 1 15 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.515 -0.287 19151 11589 1 15 . 1 1 147 147 LEU H H 147 7.458 7.458 7.344 0.114 19151 11590 1 15 . 1 1 148 148 LEU N N 148 117.062 117.062 118.676 -1.614 19151 11591 1 15 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.586 0.132 19151 11592 1 15 . 1 1 148 148 LEU C C 148 175.570 175.570 176.376 -0.806 19151 11593 1 15 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.332 -0.381 19151 11594 1 15 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.113 -1.513 19151 11595 1 15 . 1 1 148 148 LEU H H 148 6.482 6.482 6.713 -0.231 19151 11596 1 16 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.375 -0.146 19151 11597 1 16 . 1 1 2 2 ALA C C 2 173.315 173.315 175.885 -2.570 19151 11598 1 16 . 1 1 2 2 ALA CA C 2 51.580 51.580 52.782 -1.202 19151 11599 1 16 . 1 1 2 2 ALA CB C 2 20.223 20.223 19.737 0.486 19151 11600 1 16 . 1 1 3 3 GLU N N 3 121.874 121.874 119.884 1.990 19151 11601 1 16 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.382 -0.108 19151 11602 1 16 . 1 1 3 3 GLU C C 3 174.545 174.545 175.490 -0.945 19151 11603 1 16 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.461 0.389 19151 11604 1 16 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.241 -0.521 19151 11605 1 16 . 1 1 3 3 GLU H H 3 8.696 8.696 8.458 0.238 19151 11606 1 16 . 1 1 4 4 ILE N N 4 120.672 120.672 125.154 -4.482 19151 11607 1 16 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.840 0.269 19151 11608 1 16 . 1 1 4 4 ILE C C 4 175.463 175.463 174.930 0.533 19151 11609 1 16 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.170 -0.337 19151 11610 1 16 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.332 3.338 19151 11611 1 16 . 1 1 4 4 ILE H H 4 8.860 8.860 9.102 -0.242 19151 11612 1 16 . 1 1 5 5 GLY N N 5 119.310 119.310 114.862 4.448 19151 11613 1 16 . 1 1 5 5 GLY C C 5 171.260 171.260 172.919 -1.659 19151 11614 1 16 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.663 0.158 19151 11615 1 16 . 1 1 5 5 GLY H H 5 8.469 8.469 8.047 0.422 19151 11616 1 16 . 1 1 6 6 ILE N N 6 126.915 126.915 125.927 0.988 19151 11617 1 16 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.089 0.101 19151 11618 1 16 . 1 1 6 6 ILE C C 6 173.901 173.901 174.467 -0.566 19151 11619 1 16 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.650 -0.650 19151 11620 1 16 . 1 1 6 6 ILE CB C 6 38.000 38.000 40.048 -2.049 19151 11621 1 16 . 1 1 6 6 ILE H H 6 9.056 9.056 9.237 -0.181 19151 11622 1 16 . 1 1 7 7 PHE N N 7 127.354 127.354 127.628 -0.274 19151 11623 1 16 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.005 -0.493 19151 11624 1 16 . 1 1 7 7 PHE C C 7 174.230 174.230 174.313 -0.083 19151 11625 1 16 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.577 1.833 19151 11626 1 16 . 1 1 7 7 PHE CB C 7 41.728 41.728 41.111 0.617 19151 11627 1 16 . 1 1 7 7 PHE H H 7 8.960 8.960 9.571 -0.611 19151 11628 1 16 . 1 1 8 8 VAL N N 8 127.270 127.270 124.984 2.286 19151 11629 1 16 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.183 -0.123 19151 11630 1 16 . 1 1 8 8 VAL C C 8 175.450 175.450 175.629 -0.179 19151 11631 1 16 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.047 1.153 19151 11632 1 16 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.856 0.581 19151 11633 1 16 . 1 1 8 8 VAL H H 8 8.581 8.581 7.745 0.836 19151 11634 1 16 . 1 1 9 9 GLY N N 9 115.000 115.000 117.121 -2.121 19151 11635 1 16 . 1 1 9 9 GLY C C 9 173.150 173.150 172.464 0.686 19151 11636 1 16 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.410 0.590 19151 11637 1 16 . 1 1 9 9 GLY H H 9 9.393 9.393 9.058 0.335 19151 11638 1 16 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.280 0.415 19151 11639 1 16 . 1 1 12 12 TYR C C 12 176.560 176.560 175.742 0.818 19151 11640 1 16 . 1 1 12 12 TYR CA C 12 57.750 57.750 59.700 -1.950 19151 11641 1 16 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.700 -0.700 19151 11642 1 16 . 1 1 13 13 GLY N N 13 109.870 109.870 114.252 -4.382 19151 11643 1 16 . 1 1 13 13 GLY C C 13 175.930 175.930 173.806 2.124 19151 11644 1 16 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.217 1.783 19151 11645 1 16 . 1 1 13 13 GLY H H 13 8.500 8.500 7.944 0.556 19151 11646 1 16 . 1 1 17 17 LEU HA H 17 4.230 4.230 3.836 0.394 19151 11647 1 16 . 1 1 17 17 LEU C C 17 179.210 179.210 178.336 0.874 19151 11648 1 16 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.965 0.435 19151 11649 1 16 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.462 -0.162 19151 11650 1 16 . 1 1 18 18 VAL N N 18 117.231 117.231 117.515 -0.284 19151 11651 1 16 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.640 -0.317 19151 11652 1 16 . 1 1 18 18 VAL C C 18 178.460 178.460 178.162 0.298 19151 11653 1 16 . 1 1 18 18 VAL CA C 18 66.866 66.866 65.753 1.113 19151 11654 1 16 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.816 0.644 19151 11655 1 16 . 1 1 18 18 VAL H H 18 7.645 7.645 7.978 -0.333 19151 11656 1 16 . 1 1 19 19 ALA N N 19 121.820 121.820 122.860 -1.040 19151 11657 1 16 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.890 -0.074 19151 11658 1 16 . 1 1 19 19 ALA C C 19 178.180 178.180 179.150 -0.970 19151 11659 1 16 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.723 -0.147 19151 11660 1 16 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.201 1.799 19151 11661 1 16 . 1 1 19 19 ALA H H 19 8.010 8.010 8.427 -0.417 19151 11662 1 16 . 1 1 20 20 GLU N N 20 118.960 118.960 118.309 0.651 19151 11663 1 16 . 1 1 20 20 GLU HA H 20 4.016 4.016 3.996 0.020 19151 11664 1 16 . 1 1 20 20 GLU C C 20 180.950 180.950 179.401 1.549 19151 11665 1 16 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.315 0.352 19151 11666 1 16 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.290 0.010 19151 11667 1 16 . 1 1 20 20 GLU H H 20 8.700 8.700 7.916 0.784 19151 11668 1 16 . 1 1 21 21 GLU N N 21 121.371 121.371 119.823 1.548 19151 11669 1 16 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.109 -0.065 19151 11670 1 16 . 1 1 21 21 GLU C C 21 179.419 179.419 178.888 0.531 19151 11671 1 16 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.221 0.089 19151 11672 1 16 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.334 0.227 19151 11673 1 16 . 1 1 21 21 GLU H H 21 8.632 8.632 7.998 0.634 19151 11674 1 16 . 1 1 22 22 ALA N N 22 121.329 121.329 122.849 -1.520 19151 11675 1 16 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.084 -0.026 19151 11676 1 16 . 1 1 22 22 ALA C C 22 178.823 178.823 179.396 -0.573 19151 11677 1 16 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.685 -1.008 19151 11678 1 16 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.211 -0.568 19151 11679 1 16 . 1 1 22 22 ALA H H 22 8.182 8.182 8.622 -0.440 19151 11680 1 16 . 1 1 23 23 GLU N N 23 119.035 119.035 119.183 -0.148 19151 11681 1 16 . 1 1 23 23 GLU HA H 23 3.404 3.404 3.995 -0.591 19151 11682 1 16 . 1 1 23 23 GLU C C 23 178.375 178.375 178.559 -0.184 19151 11683 1 16 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.744 0.564 19151 11684 1 16 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.628 -0.698 19151 11685 1 16 . 1 1 23 23 GLU H H 23 8.387 8.387 8.426 -0.039 19151 11686 1 16 . 1 1 24 24 ALA N N 24 122.207 122.207 121.871 0.336 19151 11687 1 16 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.114 -0.084 19151 11688 1 16 . 1 1 24 24 ALA C C 24 181.132 181.132 179.858 1.274 19151 11689 1 16 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.105 0.382 19151 11690 1 16 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.659 -0.659 19151 11691 1 16 . 1 1 24 24 ALA H H 24 7.535 7.535 7.611 -0.076 19151 11692 1 16 . 1 1 25 25 ILE N N 25 121.059 121.059 120.183 0.876 19151 11693 1 16 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.726 -0.062 19151 11694 1 16 . 1 1 25 25 ILE C C 25 178.419 178.419 177.944 0.475 19151 11695 1 16 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.015 -0.907 19151 11696 1 16 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.122 0.841 19151 11697 1 16 . 1 1 25 25 ILE H H 25 7.800 7.800 8.576 -0.776 19151 11698 1 16 . 1 1 26 26 LEU N N 26 119.307 119.307 120.468 -1.161 19151 11699 1 16 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.168 0.008 19151 11700 1 16 . 1 1 26 26 LEU C C 26 179.863 179.863 179.649 0.214 19151 11701 1 16 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.254 -0.308 19151 11702 1 16 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.248 -0.108 19151 11703 1 16 . 1 1 26 26 LEU H H 26 8.509 8.509 8.698 -0.189 19151 11704 1 16 . 1 1 27 27 THR N N 27 117.830 117.830 116.252 1.578 19151 11705 1 16 . 1 1 27 27 THR HA H 27 4.524 4.524 4.340 0.184 19151 11706 1 16 . 1 1 27 27 THR C C 27 179.027 179.027 176.285 2.742 19151 11707 1 16 . 1 1 27 27 THR CA C 27 66.000 66.000 66.617 -0.617 19151 11708 1 16 . 1 1 27 27 THR CB C 27 68.600 68.600 68.550 0.050 19151 11709 1 16 . 1 1 27 27 THR H H 27 8.796 8.796 8.379 0.417 19151 11710 1 16 . 1 1 28 28 ALA N N 28 126.313 126.313 122.293 4.020 19151 11711 1 16 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.156 0.049 19151 11712 1 16 . 1 1 28 28 ALA C C 28 179.360 179.360 179.715 -0.355 19151 11713 1 16 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.336 0.664 19151 11714 1 16 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.292 -0.642 19151 11715 1 16 . 1 1 28 28 ALA H H 28 7.832 7.832 8.006 -0.174 19151 11716 1 16 . 1 1 29 29 GLN N N 29 115.527 115.527 115.330 0.197 19151 11717 1 16 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.145 -0.018 19151 11718 1 16 . 1 1 29 29 GLN C C 29 176.547 176.547 177.061 -0.514 19151 11719 1 16 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.139 -0.576 19151 11720 1 16 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.619 -0.209 19151 11721 1 16 . 1 1 29 29 GLN H H 29 7.353 7.353 8.383 -1.030 19151 11722 1 16 . 1 1 30 30 GLY N N 30 105.961 105.961 105.732 0.229 19151 11723 1 16 . 1 1 30 30 GLY C C 30 174.785 174.785 173.345 1.440 19151 11724 1 16 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.643 -0.143 19151 11725 1 16 . 1 1 30 30 GLY H H 30 7.923 7.923 7.562 0.361 19151 11726 1 16 . 1 1 31 31 HIS N N 31 119.471 119.471 115.801 3.670 19151 11727 1 16 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.893 -0.058 19151 11728 1 16 . 1 1 31 31 HIS C C 31 174.665 174.665 173.295 1.370 19151 11729 1 16 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.572 1.270 19151 11730 1 16 . 1 1 31 31 HIS CB C 31 32.000 32.000 32.818 -0.818 19151 11731 1 16 . 1 1 31 31 HIS H H 31 7.558 7.558 8.009 -0.451 19151 11732 1 16 . 1 1 32 32 LYS N N 32 121.854 121.854 122.439 -0.585 19151 11733 1 16 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.518 0.205 19151 11734 1 16 . 1 1 32 32 LYS C C 32 174.466 174.466 174.556 -0.090 19151 11735 1 16 . 1 1 32 32 LYS CA C 32 54.865 54.865 55.006 -0.141 19151 11736 1 16 . 1 1 32 32 LYS CB C 32 32.960 32.960 31.367 1.593 19151 11737 1 16 . 1 1 32 32 LYS H H 32 8.665 8.665 8.820 -0.155 19151 11738 1 16 . 1 1 33 33 ALA N N 33 130.188 130.188 129.028 1.160 19151 11739 1 16 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.601 0.217 19151 11740 1 16 . 1 1 33 33 ALA C C 33 175.567 175.567 176.838 -1.271 19151 11741 1 16 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.633 -0.657 19151 11742 1 16 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.337 0.960 19151 11743 1 16 . 1 1 33 33 ALA H H 33 8.837 8.837 7.908 0.929 19151 11744 1 16 . 1 1 34 34 THR N N 34 117.164 117.164 117.800 -0.636 19151 11745 1 16 . 1 1 34 34 THR HA H 34 4.359 4.359 4.716 -0.357 19151 11746 1 16 . 1 1 34 34 THR C C 34 171.315 171.315 173.084 -1.769 19151 11747 1 16 . 1 1 34 34 THR CA C 34 61.840 61.840 61.507 0.333 19151 11748 1 16 . 1 1 34 34 THR CB C 34 71.800 71.800 72.659 -0.859 19151 11749 1 16 . 1 1 34 34 THR H H 34 7.826 7.826 8.866 -1.040 19151 11750 1 16 . 1 1 35 35 VAL N N 35 126.650 126.650 124.945 1.705 19151 11751 1 16 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.275 -0.092 19151 11752 1 16 . 1 1 35 35 VAL C C 35 174.675 174.675 175.354 -0.679 19151 11753 1 16 . 1 1 35 35 VAL CA C 35 61.928 61.928 62.354 -0.426 19151 11754 1 16 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.141 0.509 19151 11755 1 16 . 1 1 35 35 VAL H H 35 8.496 8.496 8.681 -0.185 19151 11756 1 16 . 1 1 36 36 PHE N N 36 127.630 127.630 127.560 0.070 19151 11757 1 16 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.651 -0.100 19151 11758 1 16 . 1 1 36 36 PHE C C 36 174.347 174.347 174.590 -0.243 19151 11759 1 16 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.690 0.792 19151 11760 1 16 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.813 -0.648 19151 11761 1 16 . 1 1 36 36 PHE H H 36 9.164 9.164 9.165 -0.001 19151 11762 1 16 . 1 1 37 37 GLU N N 37 123.516 123.516 124.327 -0.811 19151 11763 1 16 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.483 -0.013 19151 11764 1 16 . 1 1 37 37 GLU C C 37 175.954 175.954 176.022 -0.068 19151 11765 1 16 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.064 -0.345 19151 11766 1 16 . 1 1 37 37 GLU CB C 37 31.460 31.460 31.292 0.168 19151 11767 1 16 . 1 1 37 37 GLU H H 37 8.455 8.455 8.595 -0.140 19151 11768 1 16 . 1 1 38 38 ASP N N 38 120.395 120.395 122.116 -1.721 19151 11769 1 16 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.497 0.336 19151 11770 1 16 . 1 1 38 38 ASP C C 38 173.920 173.920 174.720 -0.800 19151 11771 1 16 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.018 0.459 19151 11772 1 16 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.501 0.103 19151 11773 1 16 . 1 1 38 38 ASP H H 38 9.602 9.602 8.657 0.945 19151 11774 1 16 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.594 0.086 19151 11775 1 16 . 1 1 39 39 PRO C C 39 176.274 176.274 176.525 -0.251 19151 11776 1 16 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.680 -0.696 19151 11777 1 16 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.064 1.336 19151 11778 1 16 . 1 1 40 40 GLU N N 40 119.026 119.026 121.981 -2.955 19151 11779 1 16 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.525 0.203 19151 11780 1 16 . 1 1 40 40 GLU C C 40 177.827 177.827 177.718 0.109 19151 11781 1 16 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.222 -1.252 19151 11782 1 16 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.338 2.062 19151 11783 1 16 . 1 1 40 40 GLU H H 40 9.178 9.178 8.677 0.501 19151 11784 1 16 . 1 1 41 41 LEU N N 41 123.708 123.708 124.256 -0.548 19151 11785 1 16 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.211 -0.317 19151 11786 1 16 . 1 1 41 41 LEU C C 41 178.730 178.730 178.213 0.517 19151 11787 1 16 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.688 0.719 19151 11788 1 16 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.800 -0.147 19151 11789 1 16 . 1 1 41 41 LEU H H 41 9.160 9.160 8.820 0.340 19151 11790 1 16 . 1 1 42 42 SER N N 42 110.500 110.500 114.499 -3.999 19151 11791 1 16 . 1 1 42 42 SER HA H 42 4.010 4.010 4.311 -0.301 19151 11792 1 16 . 1 1 42 42 SER C C 42 176.300 176.300 175.008 1.292 19151 11793 1 16 . 1 1 42 42 SER CA C 42 61.600 61.600 60.769 0.831 19151 11794 1 16 . 1 1 42 42 SER CB C 42 62.140 62.140 62.830 -0.690 19151 11795 1 16 . 1 1 42 42 SER H H 42 8.415 8.415 8.589 -0.174 19151 11796 1 16 . 1 1 43 43 ASP N N 43 119.770 119.770 121.200 -1.430 19151 11797 1 16 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.640 -0.183 19151 11798 1 16 . 1 1 43 43 ASP C C 43 176.150 176.150 176.491 -0.341 19151 11799 1 16 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.788 0.962 19151 11800 1 16 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.777 1.923 19151 11801 1 16 . 1 1 43 43 ASP H H 43 7.690 7.690 7.994 -0.304 19151 11802 1 16 . 1 1 44 44 TRP N N 44 118.500 118.500 121.099 -2.599 19151 11803 1 16 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.485 -0.275 19151 11804 1 16 . 1 1 44 44 TRP C C 44 177.150 177.150 177.691 -0.541 19151 11805 1 16 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.961 0.426 19151 11806 1 16 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.602 -0.292 19151 11807 1 16 . 1 1 44 44 TRP H H 44 7.464 7.464 7.505 -0.041 19151 11808 1 16 . 1 1 45 45 LEU N N 45 114.100 114.100 120.651 -6.551 19151 11809 1 16 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.067 0.108 19151 11810 1 16 . 1 1 45 45 LEU C C 45 176.300 176.300 175.824 0.476 19151 11811 1 16 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.205 -0.645 19151 11812 1 16 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.380 -0.160 19151 11813 1 16 . 1 1 45 45 LEU H H 45 7.550 7.550 8.377 -0.827 19151 11814 1 16 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.145 0.235 19151 11815 1 16 . 1 1 46 46 PRO C C 46 176.799 176.799 177.483 -0.684 19151 11816 1 16 . 1 1 46 46 PRO CA C 46 65.287 65.287 65.274 0.013 19151 11817 1 16 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.135 0.465 19151 11818 1 16 . 1 1 47 47 TYR N N 47 113.790 113.790 115.397 -1.607 19151 11819 1 16 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.664 -0.544 19151 11820 1 16 . 1 1 47 47 TYR C C 47 175.730 175.730 177.945 -2.215 19151 11821 1 16 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.347 1.853 19151 11822 1 16 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.815 0.201 19151 11823 1 16 . 1 1 47 47 TYR H H 47 8.291 8.291 8.275 0.016 19151 11824 1 16 . 1 1 48 48 GLN N N 48 116.524 116.524 120.609 -4.085 19151 11825 1 16 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.965 -0.080 19151 11826 1 16 . 1 1 48 48 GLN C C 48 174.381 174.381 175.852 -1.471 19151 11827 1 16 . 1 1 48 48 GLN CA C 48 59.826 59.826 60.046 -0.220 19151 11828 1 16 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.906 2.094 19151 11829 1 16 . 1 1 48 48 GLN H H 48 7.300 7.300 7.514 -0.214 19151 11830 1 16 . 1 1 49 49 ASP N N 49 114.657 114.657 114.522 0.135 19151 11831 1 16 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.764 -0.077 19151 11832 1 16 . 1 1 49 49 ASP C C 49 176.307 176.307 175.556 0.751 19151 11833 1 16 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.903 -2.168 19151 11834 1 16 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.123 -0.923 19151 11835 1 16 . 1 1 49 49 ASP H H 49 7.854 7.854 8.405 -0.551 19151 11836 1 16 . 1 1 50 50 LYS N N 50 123.514 123.514 119.745 3.769 19151 11837 1 16 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.236 0.354 19151 11838 1 16 . 1 1 50 50 LYS C C 50 172.964 172.964 174.624 -1.660 19151 11839 1 16 . 1 1 50 50 LYS CA C 50 54.693 54.693 54.842 -0.149 19151 11840 1 16 . 1 1 50 50 LYS CB C 50 33.500 33.500 35.059 -1.559 19151 11841 1 16 . 1 1 50 50 LYS H H 50 7.833 7.833 7.698 0.135 19151 11842 1 16 . 1 1 51 51 TYR N N 51 118.375 118.375 115.551 2.824 19151 11843 1 16 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.806 0.249 19151 11844 1 16 . 1 1 51 51 TYR C C 51 175.875 175.875 176.265 -0.390 19151 11845 1 16 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.394 1.028 19151 11846 1 16 . 1 1 51 51 TYR CB C 51 42.477 42.477 41.358 1.119 19151 11847 1 16 . 1 1 51 51 TYR H H 51 7.745 7.745 7.899 -0.154 19151 11848 1 16 . 1 1 52 52 VAL N N 52 112.527 112.527 113.751 -1.224 19151 11849 1 16 . 1 1 52 52 VAL HA H 52 5.500 5.500 5.010 0.490 19151 11850 1 16 . 1 1 52 52 VAL C C 52 173.910 173.910 174.016 -0.106 19151 11851 1 16 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.239 -1.543 19151 11852 1 16 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.643 0.849 19151 11853 1 16 . 1 1 52 52 VAL H H 52 8.673 8.673 8.265 0.408 19151 11854 1 16 . 1 1 53 53 LEU N N 53 124.294 124.294 123.135 1.159 19151 11855 1 16 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.085 -0.185 19151 11856 1 16 . 1 1 53 53 LEU C C 53 175.070 175.070 174.368 0.702 19151 11857 1 16 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.850 -1.284 19151 11858 1 16 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.323 -1.093 19151 11859 1 16 . 1 1 53 53 LEU H H 53 9.137 9.137 9.166 -0.029 19151 11860 1 16 . 1 1 54 54 VAL N N 54 127.850 127.850 127.504 0.346 19151 11861 1 16 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.652 -0.142 19151 11862 1 16 . 1 1 54 54 VAL C C 54 174.030 174.030 174.383 -0.353 19151 11863 1 16 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.231 0.594 19151 11864 1 16 . 1 1 54 54 VAL CB C 54 32.691 32.691 32.857 -0.166 19151 11865 1 16 . 1 1 54 54 VAL H H 54 8.619 8.619 8.980 -0.361 19151 11866 1 16 . 1 1 55 55 VAL N N 55 127.181 127.181 128.922 -1.741 19151 11867 1 16 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.749 0.336 19151 11868 1 16 . 1 1 55 55 VAL C C 55 174.942 174.942 174.478 0.464 19151 11869 1 16 . 1 1 55 55 VAL CA C 55 60.069 60.069 61.288 -1.220 19151 11870 1 16 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.554 -0.332 19151 11871 1 16 . 1 1 55 55 VAL H H 55 8.578 8.578 8.888 -0.310 19151 11872 1 16 . 1 1 56 56 THR N N 56 117.420 117.420 123.048 -5.628 19151 11873 1 16 . 1 1 56 56 THR HA H 56 5.590 5.590 5.121 0.469 19151 11874 1 16 . 1 1 56 56 THR C C 56 172.640 172.640 173.209 -0.569 19151 11875 1 16 . 1 1 56 56 THR CA C 56 59.359 59.359 60.867 -1.508 19151 11876 1 16 . 1 1 56 56 THR CB C 56 70.715 70.715 70.699 0.016 19151 11877 1 16 . 1 1 56 56 THR H H 56 8.710 8.710 9.092 -0.382 19151 11878 1 16 . 1 1 57 57 SER HA H 57 5.250 5.250 5.227 0.023 19151 11879 1 16 . 1 1 57 57 SER CA C 57 57.730 57.730 57.347 0.383 19151 11880 1 16 . 1 1 57 57 SER CB C 57 64.500 64.500 65.027 -0.527 19151 11881 1 16 . 1 1 57 57 SER H H 57 8.075 8.075 8.945 -0.870 19151 11882 1 16 . 1 1 58 58 THR H H 58 7.900 7.900 8.428 -0.528 19151 11883 1 16 . 1 1 59 59 THR HA H 59 4.900 4.900 4.234 0.666 19151 11884 1 16 . 1 1 59 59 THR CA C 59 61.200 61.200 65.274 -4.074 19151 11885 1 16 . 1 1 59 59 THR CB C 59 73.400 73.400 69.167 4.233 19151 11886 1 16 . 1 1 59 59 THR H H 59 9.230 9.230 7.404 1.826 19151 11887 1 16 . 1 1 60 60 GLY CA C 60 46.500 46.500 44.780 1.720 19151 11888 1 16 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.256 0.150 19151 11889 1 16 . 1 1 61 61 GLN C C 61 175.950 175.950 175.636 0.314 19151 11890 1 16 . 1 1 61 61 GLN CA C 61 55.350 55.350 55.989 -0.639 19151 11891 1 16 . 1 1 61 61 GLN CB C 61 29.160 29.160 27.243 1.917 19151 11892 1 16 . 1 1 62 62 GLY N N 62 108.420 108.420 108.090 0.330 19151 11893 1 16 . 1 1 62 62 GLY C C 62 173.134 173.134 173.484 -0.350 19151 11894 1 16 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.966 0.818 19151 11895 1 16 . 1 1 62 62 GLY H H 62 8.073 8.073 8.295 -0.222 19151 11896 1 16 . 1 1 63 63 ASP N N 63 118.400 118.400 118.561 -0.161 19151 11897 1 16 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.998 -0.218 19151 11898 1 16 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.715 0.581 19151 11899 1 16 . 1 1 63 63 ASP CB C 63 42.740 42.740 43.023 -0.283 19151 11900 1 16 . 1 1 63 63 ASP H H 63 7.248 7.248 7.701 -0.453 19151 11901 1 16 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.560 -0.160 19151 11902 1 16 . 1 1 64 64 LEU CA C 64 53.150 53.150 52.349 0.801 19151 11903 1 16 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.337 -0.651 19151 11904 1 16 . 1 1 64 64 LEU H H 64 8.445 8.445 8.288 0.157 19151 11905 1 16 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.534 -0.241 19151 11906 1 16 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.273 0.071 19151 11907 1 16 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.923 -0.443 19151 11908 1 16 . 1 1 66 66 ASP N N 66 121.200 121.200 120.356 0.844 19151 11909 1 16 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.376 -0.116 19151 11910 1 16 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.322 1.308 19151 11911 1 16 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.573 0.227 19151 11912 1 16 . 1 1 66 66 ASP H H 66 8.605 8.605 8.725 -0.120 19151 11913 1 16 . 1 1 67 67 SER HA H 67 4.292 4.292 4.260 0.032 19151 11914 1 16 . 1 1 67 67 SER C C 67 175.650 175.650 175.340 0.310 19151 11915 1 16 . 1 1 67 67 SER CA C 67 60.500 60.500 60.716 -0.216 19151 11916 1 16 . 1 1 67 67 SER CB C 67 63.530 63.530 63.691 -0.161 19151 11917 1 16 . 1 1 68 68 ILE N N 68 120.550 120.550 121.015 -0.465 19151 11918 1 16 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.458 0.652 19151 11919 1 16 . 1 1 68 68 ILE C C 68 174.713 174.713 176.506 -1.793 19151 11920 1 16 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.757 -0.357 19151 11921 1 16 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.608 3.632 19151 11922 1 16 . 1 1 68 68 ILE H H 68 7.870 7.870 7.537 0.333 19151 11923 1 16 . 1 1 69 69 VAL N N 69 125.740 125.740 123.355 2.385 19151 11924 1 16 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.658 0.087 19151 11925 1 16 . 1 1 69 69 VAL C C 69 174.500 174.500 175.080 -0.580 19151 11926 1 16 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.507 -0.957 19151 11927 1 16 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.541 0.589 19151 11928 1 16 . 1 1 69 69 VAL H H 69 7.428 7.428 8.201 -0.773 19151 11929 1 16 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.341 -0.049 19151 11930 1 16 . 1 1 70 70 PRO C C 70 180.820 180.820 178.774 2.046 19151 11931 1 16 . 1 1 70 70 PRO CA C 70 66.470 66.470 65.967 0.503 19151 11932 1 16 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.267 -0.610 19151 11933 1 16 . 1 1 71 71 LEU N N 71 119.467 119.467 120.598 -1.131 19151 11934 1 16 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.014 -0.169 19151 11935 1 16 . 1 1 71 71 LEU C C 71 176.489 176.489 178.274 -1.785 19151 11936 1 16 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.979 0.228 19151 11937 1 16 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.795 -0.309 19151 11938 1 16 . 1 1 71 71 LEU H H 71 7.918 7.918 7.471 0.447 19151 11939 1 16 . 1 1 72 72 PHE N N 72 119.361 119.361 119.362 -0.001 19151 11940 1 16 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.255 -0.110 19151 11941 1 16 . 1 1 72 72 PHE C C 72 175.968 175.968 177.114 -1.146 19151 11942 1 16 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.570 0.251 19151 11943 1 16 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.549 0.998 19151 11944 1 16 . 1 1 72 72 PHE H H 72 7.903 7.903 8.482 -0.579 19151 11945 1 16 . 1 1 73 73 GLN N N 73 116.100 116.100 116.856 -0.756 19151 11946 1 16 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.662 -0.135 19151 11947 1 16 . 1 1 73 73 GLN C C 73 177.871 177.871 178.538 -0.667 19151 11948 1 16 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.732 -0.592 19151 11949 1 16 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.496 -0.349 19151 11950 1 16 . 1 1 73 73 GLN H H 73 9.042 9.042 8.730 0.312 19151 11951 1 16 . 1 1 74 74 GLY N N 74 107.110 107.110 108.651 -1.541 19151 11952 1 16 . 1 1 74 74 GLY C C 74 175.894 175.894 176.010 -0.116 19151 11953 1 16 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.853 0.427 19151 11954 1 16 . 1 1 74 74 GLY H H 74 8.045 8.045 7.948 0.097 19151 11955 1 16 . 1 1 75 75 ILE N N 75 123.629 123.629 122.737 0.892 19151 11956 1 16 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.321 -0.271 19151 11957 1 16 . 1 1 75 75 ILE C C 75 178.622 178.622 177.118 1.504 19151 11958 1 16 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.932 0.325 19151 11959 1 16 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.394 0.574 19151 11960 1 16 . 1 1 75 75 ILE H H 75 8.174 8.174 8.114 0.060 19151 11961 1 16 . 1 1 76 76 LYS N N 76 119.363 119.363 118.366 0.997 19151 11962 1 16 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.777 -0.472 19151 11963 1 16 . 1 1 76 76 LYS C C 76 177.909 177.909 178.258 -0.349 19151 11964 1 16 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.208 0.497 19151 11965 1 16 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.924 0.426 19151 11966 1 16 . 1 1 76 76 LYS H H 76 7.600 7.600 7.279 0.321 19151 11967 1 16 . 1 1 77 77 ASP N N 77 115.190 115.190 118.092 -2.902 19151 11968 1 16 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.604 -0.122 19151 11969 1 16 . 1 1 77 77 ASP C C 77 178.825 178.825 178.095 0.730 19151 11970 1 16 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.974 0.306 19151 11971 1 16 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.703 -0.513 19151 11972 1 16 . 1 1 77 77 ASP H H 77 8.482 8.482 8.240 0.242 19151 11973 1 16 . 1 1 78 78 SER N N 78 112.576 112.576 115.590 -3.014 19151 11974 1 16 . 1 1 78 78 SER HA H 78 4.728 4.728 4.455 0.273 19151 11975 1 16 . 1 1 78 78 SER C C 78 174.556 174.556 174.722 -0.166 19151 11976 1 16 . 1 1 78 78 SER CA C 78 60.045 60.045 60.050 -0.005 19151 11977 1 16 . 1 1 78 78 SER CB C 78 64.643 64.643 64.337 0.306 19151 11978 1 16 . 1 1 78 78 SER H H 78 8.273 8.273 8.031 0.242 19151 11979 1 16 . 1 1 79 79 LEU N N 79 120.833 120.833 120.762 0.071 19151 11980 1 16 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.505 0.310 19151 11981 1 16 . 1 1 79 79 LEU C C 79 176.251 176.251 178.876 -2.625 19151 11982 1 16 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.313 -2.353 19151 11983 1 16 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.215 -3.019 19151 11984 1 16 . 1 1 79 79 LEU H H 79 7.025 7.025 7.628 -0.603 19151 11985 1 16 . 1 1 80 80 GLY N N 80 108.861 108.861 107.265 1.596 19151 11986 1 16 . 1 1 80 80 GLY C C 80 173.623 173.623 173.634 -0.011 19151 11987 1 16 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.520 -0.291 19151 11988 1 16 . 1 1 80 80 GLY H H 80 7.499 7.499 8.206 -0.707 19151 11989 1 16 . 1 1 81 81 PHE N N 81 121.441 121.441 119.585 1.856 19151 11990 1 16 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.764 0.296 19151 11991 1 16 . 1 1 81 81 PHE C C 81 174.411 174.411 172.531 1.880 19151 11992 1 16 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.229 -0.018 19151 11993 1 16 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.301 -0.681 19151 11994 1 16 . 1 1 81 81 PHE H H 81 8.018 8.018 7.569 0.449 19151 11995 1 16 . 1 1 82 82 GLN N N 82 126.480 126.480 123.629 2.851 19151 11996 1 16 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.645 0.245 19151 11997 1 16 . 1 1 82 82 GLN C C 82 172.700 172.700 173.420 -0.720 19151 11998 1 16 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.056 2.120 19151 11999 1 16 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.700 1.900 19151 12000 1 16 . 1 1 82 82 GLN H H 82 9.588 9.588 7.520 2.068 19151 12001 1 16 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.383 -0.010 19151 12002 1 16 . 1 1 83 83 PRO C C 83 178.163 178.163 176.673 1.490 19151 12003 1 16 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.055 -0.364 19151 12004 1 16 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.747 -0.882 19151 12005 1 16 . 1 1 84 84 ASN N N 84 116.900 116.900 115.425 1.475 19151 12006 1 16 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.841 -0.072 19151 12007 1 16 . 1 1 84 84 ASN C C 84 173.332 173.332 173.840 -0.508 19151 12008 1 16 . 1 1 84 84 ASN CA C 84 52.560 52.560 53.016 -0.455 19151 12009 1 16 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.416 -1.156 19151 12010 1 16 . 1 1 84 84 ASN H H 84 8.578 8.578 8.374 0.204 19151 12011 1 16 . 1 1 85 85 LEU N N 85 124.380 124.380 123.305 1.075 19151 12012 1 16 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.485 -0.439 19151 12013 1 16 . 1 1 85 85 LEU C C 85 175.880 175.880 175.496 0.384 19151 12014 1 16 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.759 1.083 19151 12015 1 16 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.315 -1.015 19151 12016 1 16 . 1 1 85 85 LEU H H 85 7.240 7.240 7.689 -0.449 19151 12017 1 16 . 1 1 86 86 ARG N N 86 128.715 128.715 124.502 4.213 19151 12018 1 16 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.023 0.771 19151 12019 1 16 . 1 1 86 86 ARG C C 86 175.554 175.554 174.678 0.876 19151 12020 1 16 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.226 0.216 19151 12021 1 16 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.478 -1.605 19151 12022 1 16 . 1 1 86 86 ARG H H 86 7.732 7.732 8.312 -0.580 19151 12023 1 16 . 1 1 87 87 TYR N N 87 117.420 117.420 118.395 -0.975 19151 12024 1 16 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.501 1.264 19151 12025 1 16 . 1 1 87 87 TYR C C 87 172.931 172.931 173.273 -0.342 19151 12026 1 16 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.701 -1.440 19151 12027 1 16 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.264 3.674 19151 12028 1 16 . 1 1 87 87 TYR H H 87 8.783 8.783 8.745 0.038 19151 12029 1 16 . 1 1 88 88 GLY N N 88 107.765 107.765 106.103 1.662 19151 12030 1 16 . 1 1 88 88 GLY C C 88 172.621 172.621 171.423 1.198 19151 12031 1 16 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.686 1.175 19151 12032 1 16 . 1 1 88 88 GLY H H 88 8.905 8.905 8.713 0.192 19151 12033 1 16 . 1 1 89 89 VAL N N 89 118.180 118.180 118.574 -0.394 19151 12034 1 16 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.611 0.390 19151 12035 1 16 . 1 1 89 89 VAL C C 89 172.939 172.939 173.716 -0.777 19151 12036 1 16 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.954 0.045 19151 12037 1 16 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.479 0.919 19151 12038 1 16 . 1 1 89 89 VAL H H 89 7.499 7.499 8.163 -0.664 19151 12039 1 16 . 1 1 90 90 ILE N N 90 125.000 125.000 125.844 -0.844 19151 12040 1 16 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.144 -0.017 19151 12041 1 16 . 1 1 90 90 ILE C C 90 173.099 173.099 173.702 -0.603 19151 12042 1 16 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.687 0.801 19151 12043 1 16 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.652 -0.254 19151 12044 1 16 . 1 1 90 90 ILE H H 90 8.810 8.810 8.890 -0.080 19151 12045 1 16 . 1 1 91 91 ALA N N 91 129.036 129.036 129.901 -0.865 19151 12046 1 16 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.354 -0.028 19151 12047 1 16 . 1 1 91 91 ALA C C 91 174.000 174.000 175.715 -1.715 19151 12048 1 16 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.724 -0.724 19151 12049 1 16 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.002 1.098 19151 12050 1 16 . 1 1 91 91 ALA H H 91 9.253 9.253 8.888 0.365 19151 12051 1 16 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.032 -0.101 19151 12052 1 16 . 1 1 92 92 LEU C C 92 177.366 177.366 176.363 1.003 19151 12053 1 16 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.207 0.710 19151 12054 1 16 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.104 -2.704 19151 12055 1 16 . 1 1 93 93 GLY N N 93 110.663 110.663 108.296 2.367 19151 12056 1 16 . 1 1 93 93 GLY C C 93 172.029 172.029 172.001 0.028 19151 12057 1 16 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.661 0.069 19151 12058 1 16 . 1 1 93 93 GLY H H 93 8.687 8.687 8.804 -0.117 19151 12059 1 16 . 1 1 94 94 ASP N N 94 119.304 119.304 120.083 -0.779 19151 12060 1 16 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.219 0.041 19151 12061 1 16 . 1 1 94 94 ASP C C 94 176.978 176.978 176.986 -0.008 19151 12062 1 16 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.266 1.341 19151 12063 1 16 . 1 1 94 94 ASP CB C 94 43.000 43.000 40.769 2.231 19151 12064 1 16 . 1 1 94 94 ASP H H 94 8.129 8.129 8.320 -0.191 19151 12065 1 16 . 1 1 95 95 SER N N 95 123.897 123.897 119.382 4.515 19151 12066 1 16 . 1 1 95 95 SER HA H 95 3.895 3.895 4.210 -0.315 19151 12067 1 16 . 1 1 95 95 SER C C 95 175.243 175.243 175.375 -0.132 19151 12068 1 16 . 1 1 95 95 SER CA C 95 60.183 60.183 59.563 0.620 19151 12069 1 16 . 1 1 95 95 SER CB C 95 61.700 61.700 62.537 -0.837 19151 12070 1 16 . 1 1 95 95 SER H H 95 8.878 8.878 9.233 -0.355 19151 12071 1 16 . 1 1 96 96 SER N N 96 119.248 119.248 116.109 3.139 19151 12072 1 16 . 1 1 96 96 SER HA H 96 4.209 4.209 4.280 -0.071 19151 12073 1 16 . 1 1 96 96 SER C C 96 173.900 173.900 175.104 -1.204 19151 12074 1 16 . 1 1 96 96 SER CA C 96 60.197 60.197 59.824 0.373 19151 12075 1 16 . 1 1 96 96 SER CB C 96 63.000 63.000 63.279 -0.279 19151 12076 1 16 . 1 1 96 96 SER H H 96 9.124 9.124 8.239 0.885 19151 12077 1 16 . 1 1 97 97 TYR N N 97 120.889 120.889 121.795 -0.906 19151 12078 1 16 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.544 0.344 19151 12079 1 16 . 1 1 97 97 TYR C C 97 175.972 175.972 177.535 -1.563 19151 12080 1 16 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.332 -2.582 19151 12081 1 16 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.246 0.574 19151 12082 1 16 . 1 1 97 97 TYR H H 97 7.664 7.664 7.908 -0.244 19151 12083 1 16 . 1 1 98 98 VAL N N 98 116.952 116.952 122.529 -5.577 19151 12084 1 16 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.778 0.282 19151 12085 1 16 . 1 1 98 98 VAL C C 98 175.969 175.969 176.455 -0.486 19151 12086 1 16 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.013 -2.173 19151 12087 1 16 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.609 0.991 19151 12088 1 16 . 1 1 98 98 VAL H H 98 7.970 7.970 8.562 -0.592 19151 12089 1 16 . 1 1 99 99 ASN N N 99 118.156 118.156 116.724 1.432 19151 12090 1 16 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.941 -0.430 19151 12091 1 16 . 1 1 99 99 ASN C C 99 174.329 174.329 175.923 -1.594 19151 12092 1 16 . 1 1 99 99 ASN CA C 99 53.031 53.031 53.138 -0.107 19151 12093 1 16 . 1 1 99 99 ASN CB C 99 37.238 37.238 38.794 -1.556 19151 12094 1 16 . 1 1 99 99 ASN H H 99 8.296 8.296 8.048 0.248 19151 12095 1 16 . 1 1 100 100 PHE N N 100 118.649 118.649 120.090 -1.441 19151 12096 1 16 . 1 1 100 100 PHE HA H 100 4.415 4.415 3.979 0.436 19151 12097 1 16 . 1 1 100 100 PHE C C 100 174.400 174.400 175.305 -0.905 19151 12098 1 16 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.952 -3.762 19151 12099 1 16 . 1 1 100 100 PHE CB C 100 39.679 39.679 37.935 1.744 19151 12100 1 16 . 1 1 100 100 PHE H H 100 7.855 7.855 7.966 -0.111 19151 12101 1 16 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.227 -0.642 19151 12102 1 16 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.770 4.970 19151 12103 1 16 . 1 1 101 101 CYS CB C 101 26.000 26.000 26.915 -0.915 19151 12104 1 16 . 1 1 101 101 CYS H H 101 9.240 9.240 8.004 1.236 19151 12105 1 16 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.421 -0.201 19151 12106 1 16 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.029 1.171 19151 12107 1 16 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.434 0.166 19151 12108 1 16 . 1 1 102 102 ASN H H 102 8.300 8.300 8.791 -0.491 19151 12109 1 16 . 1 1 103 103 GLY C C 103 175.690 175.690 175.855 -0.165 19151 12110 1 16 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.069 0.281 19151 12111 1 16 . 1 1 104 104 GLY N N 104 106.150 106.150 109.075 -2.925 19151 12112 1 16 . 1 1 104 104 GLY C C 104 174.570 174.570 176.114 -1.544 19151 12113 1 16 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.097 1.253 19151 12114 1 16 . 1 1 104 104 GLY H H 104 7.108 7.108 7.762 -0.654 19151 12115 1 16 . 1 1 105 105 LYS N N 105 120.732 120.732 121.878 -1.146 19151 12116 1 16 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.947 -0.010 19151 12117 1 16 . 1 1 105 105 LYS C C 105 179.706 179.706 178.976 0.730 19151 12118 1 16 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.779 0.529 19151 12119 1 16 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.185 -0.388 19151 12120 1 16 . 1 1 105 105 LYS H H 105 7.708 7.708 7.421 0.287 19151 12121 1 16 . 1 1 106 106 GLN N N 106 119.087 119.087 118.386 0.701 19151 12122 1 16 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.089 0.053 19151 12123 1 16 . 1 1 106 106 GLN C C 106 179.418 179.418 178.492 0.926 19151 12124 1 16 . 1 1 106 106 GLN CA C 106 58.875 58.875 59.274 -0.399 19151 12125 1 16 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.614 0.145 19151 12126 1 16 . 1 1 106 106 GLN H H 106 8.738 8.738 8.496 0.242 19151 12127 1 16 . 1 1 107 107 PHE N N 107 123.088 123.088 118.515 4.573 19151 12128 1 16 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.339 -0.089 19151 12129 1 16 . 1 1 107 107 PHE C C 107 178.403 178.403 177.944 0.459 19151 12130 1 16 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.683 0.502 19151 12131 1 16 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.958 0.493 19151 12132 1 16 . 1 1 107 107 PHE H H 107 7.922 7.922 7.656 0.266 19151 12133 1 16 . 1 1 108 108 ASP N N 108 117.118 117.118 120.216 -3.098 19151 12134 1 16 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.673 -0.299 19151 12135 1 16 . 1 1 108 108 ASP C C 108 176.973 176.973 178.225 -1.252 19151 12136 1 16 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.325 1.103 19151 12137 1 16 . 1 1 108 108 ASP CB C 108 44.123 44.123 40.972 3.151 19151 12138 1 16 . 1 1 108 108 ASP H H 108 8.305 8.305 8.047 0.258 19151 12139 1 16 . 1 1 109 109 ALA N N 109 118.590 118.590 122.772 -4.182 19151 12140 1 16 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.091 -0.041 19151 12141 1 16 . 1 1 109 109 ALA C C 109 180.430 180.430 179.767 0.663 19151 12142 1 16 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.119 0.077 19151 12143 1 16 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.335 -0.228 19151 12144 1 16 . 1 1 109 109 ALA H H 109 8.332 8.332 7.978 0.354 19151 12145 1 16 . 1 1 110 110 LEU N N 110 120.402 120.402 120.089 0.313 19151 12146 1 16 . 1 1 110 110 LEU HA H 110 4.085 4.085 4.027 0.058 19151 12147 1 16 . 1 1 110 110 LEU C C 110 177.801 177.801 179.088 -1.287 19151 12148 1 16 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.637 0.003 19151 12149 1 16 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.961 0.795 19151 12150 1 16 . 1 1 110 110 LEU H H 110 7.868 7.868 7.689 0.179 19151 12151 1 16 . 1 1 111 111 LEU N N 111 116.945 116.945 117.400 -0.455 19151 12152 1 16 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.817 -0.099 19151 12153 1 16 . 1 1 111 111 LEU C C 111 179.838 179.838 179.455 0.383 19151 12154 1 16 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.860 0.105 19151 12155 1 16 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.330 -2.470 19151 12156 1 16 . 1 1 111 111 LEU H H 111 7.704 7.704 7.465 0.239 19151 12157 1 16 . 1 1 112 112 GLN N N 112 118.484 118.484 117.453 1.031 19151 12158 1 16 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.123 0.018 19151 12159 1 16 . 1 1 112 112 GLN C C 112 181.218 181.218 178.603 2.615 19151 12160 1 16 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.779 1.187 19151 12161 1 16 . 1 1 112 112 GLN CB C 112 29.260 29.260 27.950 1.310 19151 12162 1 16 . 1 1 112 112 GLN H H 112 8.441 8.441 7.748 0.693 19151 12163 1 16 . 1 1 113 113 GLU N N 113 122.905 122.905 118.857 4.048 19151 12164 1 16 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.068 0.113 19151 12165 1 16 . 1 1 113 113 GLU C C 113 178.001 178.001 177.854 0.147 19151 12166 1 16 . 1 1 113 113 GLU CA C 113 58.985 58.985 58.399 0.586 19151 12167 1 16 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.451 -0.181 19151 12168 1 16 . 1 1 113 113 GLU H H 113 8.305 8.305 8.085 0.220 19151 12169 1 16 . 1 1 114 114 GLN N N 114 117.332 117.332 117.790 -0.458 19151 12170 1 16 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.263 0.332 19151 12171 1 16 . 1 1 114 114 GLN C C 114 174.538 174.538 177.210 -2.672 19151 12172 1 16 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.383 -0.966 19151 12173 1 16 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.146 -4.316 19151 12174 1 16 . 1 1 114 114 GLN H H 114 7.520 7.520 7.459 0.061 19151 12175 1 16 . 1 1 115 115 SER N N 115 109.100 109.100 110.045 -0.945 19151 12176 1 16 . 1 1 115 115 SER HA H 115 4.200 4.200 4.432 -0.232 19151 12177 1 16 . 1 1 115 115 SER C C 115 172.302 172.302 173.160 -0.858 19151 12178 1 16 . 1 1 115 115 SER CA C 115 60.400 60.400 58.482 1.918 19151 12179 1 16 . 1 1 115 115 SER CB C 115 61.325 61.325 64.398 -3.073 19151 12180 1 16 . 1 1 115 115 SER H H 115 7.950 7.950 8.110 -0.160 19151 12181 1 16 . 1 1 116 116 ALA N N 116 121.059 121.059 125.206 -4.147 19151 12182 1 16 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.291 0.503 19151 12183 1 16 . 1 1 116 116 ALA C C 116 176.774 176.774 176.313 0.461 19151 12184 1 16 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.401 -0.711 19151 12185 1 16 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.390 0.975 19151 12186 1 16 . 1 1 116 116 ALA H H 116 7.813 7.813 7.961 -0.148 19151 12187 1 16 . 1 1 117 117 GLN N N 117 118.000 118.000 119.250 -1.250 19151 12188 1 16 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.559 0.059 19151 12189 1 16 . 1 1 117 117 GLN C C 117 173.769 173.769 175.832 -2.063 19151 12190 1 16 . 1 1 117 117 GLN CA C 117 54.556 54.556 55.437 -0.881 19151 12191 1 16 . 1 1 117 117 GLN CB C 117 30.735 30.735 30.918 -0.183 19151 12192 1 16 . 1 1 117 117 GLN H H 117 8.591 8.591 8.712 -0.121 19151 12193 1 16 . 1 1 118 118 ARG N N 118 127.947 127.947 119.782 8.165 19151 12194 1 16 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.265 -1.957 19151 12195 1 16 . 1 1 118 118 ARG C C 118 176.758 176.758 175.577 1.181 19151 12196 1 16 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.531 1.655 19151 12197 1 16 . 1 1 118 118 ARG CB C 118 30.310 30.310 33.986 -3.676 19151 12198 1 16 . 1 1 118 118 ARG H H 118 8.659 8.659 8.481 0.178 19151 12199 1 16 . 1 1 119 119 VAL N N 119 131.939 131.939 120.854 11.085 19151 12200 1 16 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.349 -0.236 19151 12201 1 16 . 1 1 119 119 VAL C C 119 176.775 176.775 175.866 0.909 19151 12202 1 16 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.036 1.138 19151 12203 1 16 . 1 1 119 119 VAL CB C 119 32.394 32.394 34.005 -1.611 19151 12204 1 16 . 1 1 119 119 VAL H H 119 9.520 9.520 8.736 0.784 19151 12205 1 16 . 1 1 120 120 GLY N N 120 116.074 116.074 115.499 0.575 19151 12206 1 16 . 1 1 120 120 GLY C C 120 172.757 172.757 173.784 -1.027 19151 12207 1 16 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.176 -1.278 19151 12208 1 16 . 1 1 120 120 GLY H H 120 8.755 8.755 8.591 0.164 19151 12209 1 16 . 1 1 121 121 GLU N N 121 118.754 118.754 119.998 -1.244 19151 12210 1 16 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.787 -0.121 19151 12211 1 16 . 1 1 121 121 GLU C C 121 177.419 177.419 177.032 0.387 19151 12212 1 16 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.989 -0.498 19151 12213 1 16 . 1 1 121 121 GLU CB C 121 31.498 31.498 31.806 -0.308 19151 12214 1 16 . 1 1 121 121 GLU H H 121 8.594 8.594 8.834 -0.240 19151 12215 1 16 . 1 1 122 122 MET N N 122 122.642 122.642 121.536 1.106 19151 12216 1 16 . 1 1 122 122 MET HA H 122 4.415 4.415 4.963 -0.548 19151 12217 1 16 . 1 1 122 122 MET C C 122 175.351 175.351 175.012 0.339 19151 12218 1 16 . 1 1 122 122 MET CA C 122 57.024 57.024 54.908 2.116 19151 12219 1 16 . 1 1 122 122 MET CB C 122 34.210 34.210 33.279 0.930 19151 12220 1 16 . 1 1 122 122 MET H H 122 8.892 8.892 8.511 0.381 19151 12221 1 16 . 1 1 123 123 LEU N N 123 129.535 129.535 122.359 7.176 19151 12222 1 16 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.425 -0.075 19151 12223 1 16 . 1 1 123 123 LEU C C 123 173.124 173.124 174.451 -1.327 19151 12224 1 16 . 1 1 123 123 LEU CA C 123 53.739 53.739 52.989 0.750 19151 12225 1 16 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.683 -1.605 19151 12226 1 16 . 1 1 123 123 LEU H H 123 7.868 7.868 7.673 0.195 19151 12227 1 16 . 1 1 124 124 LEU N N 124 127.120 127.120 125.931 1.189 19151 12228 1 16 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.584 0.471 19151 12229 1 16 . 1 1 124 124 LEU C C 124 176.379 176.379 176.154 0.225 19151 12230 1 16 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.201 0.349 19151 12231 1 16 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.333 -0.955 19151 12232 1 16 . 1 1 124 124 LEU H H 124 8.346 8.346 8.285 0.061 19151 12233 1 16 . 1 1 125 125 ILE N N 125 124.337 124.337 125.087 -0.750 19151 12234 1 16 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.308 -0.128 19151 12235 1 16 . 1 1 125 125 ILE C C 125 174.303 174.303 174.948 -0.645 19151 12236 1 16 . 1 1 125 125 ILE CA C 125 61.100 61.100 61.679 -0.579 19151 12237 1 16 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.126 -0.182 19151 12238 1 16 . 1 1 125 125 ILE H H 125 8.974 8.974 8.761 0.213 19151 12239 1 16 . 1 1 126 126 ASP N N 126 127.113 127.113 128.616 -1.503 19151 12240 1 16 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.673 -0.558 19151 12241 1 16 . 1 1 126 126 ASP C C 126 176.766 176.766 176.386 0.380 19151 12242 1 16 . 1 1 126 126 ASP CA C 126 51.847 51.847 51.763 0.084 19151 12243 1 16 . 1 1 126 126 ASP CB C 126 41.100 41.100 42.319 -1.219 19151 12244 1 16 . 1 1 126 126 ASP H H 126 9.397 9.397 8.622 0.775 19151 12245 1 16 . 1 1 127 127 ALA N N 127 131.178 131.178 131.500 -0.322 19151 12246 1 16 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.491 -0.175 19151 12247 1 16 . 1 1 127 127 ALA C C 127 178.530 178.530 178.931 -0.401 19151 12248 1 16 . 1 1 127 127 ALA CA C 127 53.847 53.847 53.985 -0.138 19151 12249 1 16 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.037 -0.245 19151 12250 1 16 . 1 1 127 127 ALA H H 127 9.696 9.696 9.120 0.576 19151 12251 1 16 . 1 1 128 128 SER N N 128 112.064 112.064 112.440 -0.376 19151 12252 1 16 . 1 1 128 128 SER HA H 128 4.224 4.224 4.227 -0.003 19151 12253 1 16 . 1 1 128 128 SER C C 128 175.000 175.000 175.666 -0.666 19151 12254 1 16 . 1 1 128 128 SER CA C 128 61.246 61.246 60.246 1.000 19151 12255 1 16 . 1 1 128 128 SER CB C 128 63.310 63.310 63.285 0.025 19151 12256 1 16 . 1 1 128 128 SER H H 128 8.373 8.373 8.261 0.112 19151 12257 1 16 . 1 1 129 129 GLU N N 129 119.468 119.468 118.537 0.931 19151 12258 1 16 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.439 -0.039 19151 12259 1 16 . 1 1 129 129 GLU C C 129 175.947 175.947 175.936 0.011 19151 12260 1 16 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.842 -0.427 19151 12261 1 16 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.974 -0.244 19151 12262 1 16 . 1 1 129 129 GLU H H 129 7.267 7.267 7.572 -0.305 19151 12263 1 16 . 1 1 130 130 ASN N N 130 115.968 115.968 118.249 -2.281 19151 12264 1 16 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.103 0.063 19151 12265 1 16 . 1 1 130 130 ASN C C 130 172.000 172.000 174.100 -2.100 19151 12266 1 16 . 1 1 130 130 ASN CA C 130 50.223 50.223 51.131 -0.908 19151 12267 1 16 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.933 -0.267 19151 12268 1 16 . 1 1 130 130 ASN H H 130 8.072 8.072 8.236 -0.164 19151 12269 1 16 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.438 0.112 19151 12270 1 16 . 1 1 131 131 PRO C C 131 176.400 176.400 176.273 0.127 19151 12271 1 16 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.965 -0.465 19151 12272 1 16 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.835 0.465 19151 12273 1 16 . 1 1 132 132 GLU N N 132 119.000 119.000 119.842 -0.842 19151 12274 1 16 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.757 0.263 19151 12275 1 16 . 1 1 132 132 GLU C C 132 174.200 174.200 175.275 -1.075 19151 12276 1 16 . 1 1 132 132 GLU CA C 132 53.000 53.000 52.510 0.490 19151 12277 1 16 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.814 -0.114 19151 12278 1 16 . 1 1 132 132 GLU H H 132 7.690 7.690 8.101 -0.411 19151 12279 1 16 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.266 -0.266 19151 12280 1 16 . 1 1 133 133 PRO C C 133 177.391 177.391 177.673 -0.282 19151 12281 1 16 . 1 1 133 133 PRO CA C 133 65.469 65.469 64.730 0.739 19151 12282 1 16 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.927 0.218 19151 12283 1 16 . 1 1 134 134 GLU N N 134 122.846 122.846 117.737 5.109 19151 12284 1 16 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.231 0.989 19151 12285 1 16 . 1 1 134 134 GLU C C 134 178.385 178.385 178.967 -0.582 19151 12286 1 16 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.159 -1.567 19151 12287 1 16 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.786 -2.196 19151 12288 1 16 . 1 1 134 134 GLU H H 134 10.707 10.707 8.699 2.008 19151 12289 1 16 . 1 1 135 135 THR N N 135 113.016 113.016 112.664 0.352 19151 12290 1 16 . 1 1 135 135 THR HA H 135 4.182 4.182 4.136 0.046 19151 12291 1 16 . 1 1 135 135 THR C C 135 176.460 176.460 175.547 0.913 19151 12292 1 16 . 1 1 135 135 THR CA C 135 64.752 64.752 65.168 -0.416 19151 12293 1 16 . 1 1 135 135 THR CB C 135 69.248 69.248 68.753 0.495 19151 12294 1 16 . 1 1 135 135 THR H H 135 8.168 8.168 8.266 -0.098 19151 12295 1 16 . 1 1 136 136 GLU N N 136 118.978 118.978 121.557 -2.579 19151 12296 1 16 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.394 0.170 19151 12297 1 16 . 1 1 136 136 GLU C C 136 178.370 178.370 178.266 0.104 19151 12298 1 16 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.270 -1.357 19151 12299 1 16 . 1 1 136 136 GLU CB C 136 32.100 32.100 29.970 2.130 19151 12300 1 16 . 1 1 136 136 GLU H H 136 7.680 7.680 7.608 0.072 19151 12301 1 16 . 1 1 137 137 SER N N 137 116.501 116.501 115.141 1.360 19151 12302 1 16 . 1 1 137 137 SER HA H 137 4.033 4.033 4.349 -0.316 19151 12303 1 16 . 1 1 137 137 SER C C 137 175.670 175.670 176.562 -0.892 19151 12304 1 16 . 1 1 137 137 SER CA C 137 62.330 62.330 61.023 1.307 19151 12305 1 16 . 1 1 137 137 SER CB C 137 61.380 61.380 63.185 -1.805 19151 12306 1 16 . 1 1 137 137 SER H H 137 8.824 8.824 8.311 0.513 19151 12307 1 16 . 1 1 138 138 ASN N N 138 123.517 123.517 120.380 3.137 19151 12308 1 16 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.730 -0.139 19151 12309 1 16 . 1 1 138 138 ASN C C 138 175.700 175.700 175.104 0.596 19151 12310 1 16 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.182 0.304 19151 12311 1 16 . 1 1 138 138 ASN CB C 138 34.253 34.253 36.027 -1.774 19151 12312 1 16 . 1 1 138 138 ASN H H 138 8.564 8.564 8.372 0.192 19151 12313 1 16 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.369 0.086 19151 12314 1 16 . 1 1 139 139 PRO C C 139 180.033 180.033 178.477 1.556 19151 12315 1 16 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.341 0.269 19151 12316 1 16 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.453 -0.917 19151 12317 1 16 . 1 1 140 140 TRP N N 140 119.700 119.700 121.787 -2.087 19151 12318 1 16 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.458 -0.125 19151 12319 1 16 . 1 1 140 140 TRP C C 140 179.195 179.195 177.928 1.267 19151 12320 1 16 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.755 0.425 19151 12321 1 16 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.484 1.267 19151 12322 1 16 . 1 1 140 140 TRP H H 140 7.057 7.057 7.477 -0.420 19151 12323 1 16 . 1 1 141 141 VAL N N 141 122.879 122.879 119.071 3.808 19151 12324 1 16 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.688 0.048 19151 12325 1 16 . 1 1 141 141 VAL C C 141 177.416 177.416 178.508 -1.092 19151 12326 1 16 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.457 -0.741 19151 12327 1 16 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.626 -0.194 19151 12328 1 16 . 1 1 141 141 VAL H H 141 9.629 9.629 8.845 0.784 19151 12329 1 16 . 1 1 142 142 GLU N N 142 119.965 119.965 118.024 1.941 19151 12330 1 16 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.082 -0.350 19151 12331 1 16 . 1 1 142 142 GLU C C 142 178.800 178.800 177.238 1.562 19151 12332 1 16 . 1 1 142 142 GLU CA C 142 59.332 59.332 58.741 0.591 19151 12333 1 16 . 1 1 142 142 GLU CB C 142 29.560 29.560 30.004 -0.444 19151 12334 1 16 . 1 1 142 142 GLU H H 142 8.551 8.551 8.211 0.340 19151 12335 1 16 . 1 1 143 143 HIS N N 143 115.364 115.364 117.923 -2.559 19151 12336 1 16 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.395 -0.105 19151 12337 1 16 . 1 1 143 143 HIS C C 143 177.840 177.840 175.948 1.892 19151 12338 1 16 . 1 1 143 143 HIS CA C 143 59.363 59.363 58.905 0.458 19151 12339 1 16 . 1 1 143 143 HIS CB C 143 29.362 29.362 30.709 -1.347 19151 12340 1 16 . 1 1 143 143 HIS H H 143 7.380 7.380 7.662 -0.282 19151 12341 1 16 . 1 1 144 144 TRP N N 144 126.680 126.680 122.056 4.624 19151 12342 1 16 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.809 -0.475 19151 12343 1 16 . 1 1 144 144 TRP C C 144 178.200 178.200 178.404 -0.204 19151 12344 1 16 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.908 2.052 19151 12345 1 16 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.448 0.077 19151 12346 1 16 . 1 1 144 144 TRP H H 144 9.215 9.215 8.671 0.544 19151 12347 1 16 . 1 1 145 145 GLY N N 145 100.130 100.130 105.168 -5.038 19151 12348 1 16 . 1 1 145 145 GLY C C 145 177.391 177.391 175.421 1.970 19151 12349 1 16 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.152 -0.392 19151 12350 1 16 . 1 1 145 145 GLY H H 145 8.834 8.834 8.492 0.342 19151 12351 1 16 . 1 1 146 146 THR N N 146 110.831 110.831 113.982 -3.151 19151 12352 1 16 . 1 1 146 146 THR HA H 146 4.319 4.319 4.027 0.292 19151 12353 1 16 . 1 1 146 146 THR C C 146 175.574 175.574 175.605 -0.031 19151 12354 1 16 . 1 1 146 146 THR CA C 146 63.260 63.260 63.963 -0.703 19151 12355 1 16 . 1 1 146 146 THR CB C 146 69.660 69.660 68.391 1.269 19151 12356 1 16 . 1 1 146 146 THR H H 146 7.594 7.594 7.501 0.093 19151 12357 1 16 . 1 1 147 147 LEU N N 147 120.678 120.678 119.602 1.076 19151 12358 1 16 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.051 0.007 19151 12359 1 16 . 1 1 147 147 LEU C C 147 177.176 177.176 176.302 0.874 19151 12360 1 16 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.474 -1.161 19151 12361 1 16 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.302 -0.074 19151 12362 1 16 . 1 1 147 147 LEU H H 147 7.458 7.458 7.416 0.042 19151 12363 1 16 . 1 1 148 148 LEU N N 148 117.062 117.062 118.261 -1.199 19151 12364 1 16 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.961 -0.243 19151 12365 1 16 . 1 1 148 148 LEU C C 148 175.570 175.570 176.676 -1.106 19151 12366 1 16 . 1 1 148 148 LEU CA C 148 53.951 53.951 53.864 0.087 19151 12367 1 16 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.100 -1.500 19151 12368 1 16 . 1 1 148 148 LEU H H 148 6.482 6.482 6.802 -0.320 19151 12369 1 17 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.262 -0.033 19151 12370 1 17 . 1 1 2 2 ALA C C 2 173.315 173.315 175.733 -2.418 19151 12371 1 17 . 1 1 2 2 ALA CA C 2 51.580 51.580 52.669 -1.089 19151 12372 1 17 . 1 1 2 2 ALA CB C 2 20.223 20.223 19.676 0.547 19151 12373 1 17 . 1 1 3 3 GLU N N 3 121.874 121.874 118.143 3.731 19151 12374 1 17 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.362 -0.088 19151 12375 1 17 . 1 1 3 3 GLU C C 3 174.545 174.545 175.436 -0.891 19151 12376 1 17 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.429 0.420 19151 12377 1 17 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.351 -0.631 19151 12378 1 17 . 1 1 3 3 GLU H H 3 8.696 8.696 8.386 0.310 19151 12379 1 17 . 1 1 4 4 ILE N N 4 120.672 120.672 124.960 -4.288 19151 12380 1 17 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.687 0.422 19151 12381 1 17 . 1 1 4 4 ILE C C 4 175.463 175.463 174.869 0.594 19151 12382 1 17 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.143 -0.310 19151 12383 1 17 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.353 3.317 19151 12384 1 17 . 1 1 4 4 ILE H H 4 8.860 8.860 9.177 -0.317 19151 12385 1 17 . 1 1 5 5 GLY N N 5 119.310 119.310 114.640 4.670 19151 12386 1 17 . 1 1 5 5 GLY C C 5 171.260 171.260 172.956 -1.696 19151 12387 1 17 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.534 0.286 19151 12388 1 17 . 1 1 5 5 GLY H H 5 8.469 8.469 7.934 0.535 19151 12389 1 17 . 1 1 6 6 ILE N N 6 126.915 126.915 126.290 0.625 19151 12390 1 17 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.017 0.173 19151 12391 1 17 . 1 1 6 6 ILE C C 6 173.901 173.901 174.473 -0.572 19151 12392 1 17 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.678 -0.678 19151 12393 1 17 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.636 -1.636 19151 12394 1 17 . 1 1 6 6 ILE H H 6 9.056 9.056 9.245 -0.189 19151 12395 1 17 . 1 1 7 7 PHE N N 7 127.354 127.354 127.657 -0.303 19151 12396 1 17 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.282 -0.770 19151 12397 1 17 . 1 1 7 7 PHE C C 7 174.230 174.230 174.624 -0.394 19151 12398 1 17 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.468 1.942 19151 12399 1 17 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.700 1.028 19151 12400 1 17 . 1 1 7 7 PHE H H 7 8.960 8.960 9.622 -0.662 19151 12401 1 17 . 1 1 8 8 VAL N N 8 127.270 127.270 124.864 2.406 19151 12402 1 17 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.230 -0.170 19151 12403 1 17 . 1 1 8 8 VAL C C 8 175.450 175.450 175.487 -0.037 19151 12404 1 17 . 1 1 8 8 VAL CA C 8 61.200 61.200 59.363 1.837 19151 12405 1 17 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.798 -0.361 19151 12406 1 17 . 1 1 8 8 VAL H H 8 8.581 8.581 8.329 0.252 19151 12407 1 17 . 1 1 9 9 GLY N N 9 115.000 115.000 114.935 0.065 19151 12408 1 17 . 1 1 9 9 GLY C C 9 173.150 173.150 173.974 -0.824 19151 12409 1 17 . 1 1 9 9 GLY CA C 9 45.000 45.000 45.246 -0.246 19151 12410 1 17 . 1 1 9 9 GLY H H 9 9.393 9.393 8.402 0.991 19151 12411 1 17 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.591 0.104 19151 12412 1 17 . 1 1 12 12 TYR C C 12 176.560 176.560 173.526 3.034 19151 12413 1 17 . 1 1 12 12 TYR CA C 12 57.750 57.750 58.194 -0.444 19151 12414 1 17 . 1 1 12 12 TYR CB C 12 38.000 38.000 40.778 -2.778 19151 12415 1 17 . 1 1 13 13 GLY N N 13 109.870 109.870 111.899 -2.029 19151 12416 1 17 . 1 1 13 13 GLY C C 13 175.930 175.930 173.370 2.560 19151 12417 1 17 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.463 1.537 19151 12418 1 17 . 1 1 13 13 GLY H H 13 8.500 8.500 7.016 1.484 19151 12419 1 17 . 1 1 17 17 LEU HA H 17 4.230 4.230 3.944 0.286 19151 12420 1 17 . 1 1 17 17 LEU C C 17 179.210 179.210 178.367 0.843 19151 12421 1 17 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.813 0.587 19151 12422 1 17 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.334 -0.034 19151 12423 1 17 . 1 1 18 18 VAL N N 18 117.231 117.231 117.863 -0.632 19151 12424 1 17 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.547 -0.224 19151 12425 1 17 . 1 1 18 18 VAL C C 18 178.460 178.460 178.031 0.429 19151 12426 1 17 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.219 0.647 19151 12427 1 17 . 1 1 18 18 VAL CB C 18 31.460 31.460 31.281 0.179 19151 12428 1 17 . 1 1 18 18 VAL H H 18 7.645 7.645 7.565 0.080 19151 12429 1 17 . 1 1 19 19 ALA N N 19 121.820 121.820 121.741 0.079 19151 12430 1 17 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.970 -0.154 19151 12431 1 17 . 1 1 19 19 ALA C C 19 178.180 178.180 179.283 -1.103 19151 12432 1 17 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.615 -0.039 19151 12433 1 17 . 1 1 19 19 ALA CB C 19 20.000 20.000 17.945 2.055 19151 12434 1 17 . 1 1 19 19 ALA H H 19 8.010 8.010 8.044 -0.034 19151 12435 1 17 . 1 1 20 20 GLU N N 20 118.960 118.960 118.498 0.462 19151 12436 1 17 . 1 1 20 20 GLU HA H 20 4.016 4.016 3.998 0.018 19151 12437 1 17 . 1 1 20 20 GLU C C 20 180.950 180.950 179.407 1.543 19151 12438 1 17 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.083 0.583 19151 12439 1 17 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.296 0.004 19151 12440 1 17 . 1 1 20 20 GLU H H 20 8.700 8.700 7.889 0.811 19151 12441 1 17 . 1 1 21 21 GLU N N 21 121.371 121.371 119.552 1.819 19151 12442 1 17 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.067 -0.023 19151 12443 1 17 . 1 1 21 21 GLU C C 21 179.419 179.419 178.839 0.580 19151 12444 1 17 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.207 0.103 19151 12445 1 17 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.337 0.224 19151 12446 1 17 . 1 1 21 21 GLU H H 21 8.632 8.632 8.019 0.613 19151 12447 1 17 . 1 1 22 22 ALA N N 22 121.329 121.329 122.926 -1.597 19151 12448 1 17 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.061 -0.003 19151 12449 1 17 . 1 1 22 22 ALA C C 22 178.823 178.823 179.427 -0.604 19151 12450 1 17 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.646 -0.969 19151 12451 1 17 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.090 -0.447 19151 12452 1 17 . 1 1 22 22 ALA H H 22 8.182 8.182 8.547 -0.365 19151 12453 1 17 . 1 1 23 23 GLU N N 23 119.035 119.035 119.384 -0.349 19151 12454 1 17 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.024 -0.620 19151 12455 1 17 . 1 1 23 23 GLU C C 23 178.375 178.375 178.613 -0.238 19151 12456 1 17 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.799 0.509 19151 12457 1 17 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.534 -0.604 19151 12458 1 17 . 1 1 23 23 GLU H H 23 8.387 8.387 8.398 -0.011 19151 12459 1 17 . 1 1 24 24 ALA N N 24 122.207 122.207 122.202 0.005 19151 12460 1 17 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.116 -0.086 19151 12461 1 17 . 1 1 24 24 ALA C C 24 181.132 181.132 179.930 1.202 19151 12462 1 17 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.045 0.442 19151 12463 1 17 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.614 -0.614 19151 12464 1 17 . 1 1 24 24 ALA H H 24 7.535 7.535 7.731 -0.196 19151 12465 1 17 . 1 1 25 25 ILE N N 25 121.059 121.059 119.847 1.212 19151 12466 1 17 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.656 0.008 19151 12467 1 17 . 1 1 25 25 ILE C C 25 178.419 178.419 177.864 0.555 19151 12468 1 17 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.250 -1.142 19151 12469 1 17 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.178 0.785 19151 12470 1 17 . 1 1 25 25 ILE H H 25 7.800 7.800 8.575 -0.775 19151 12471 1 17 . 1 1 26 26 LEU N N 26 119.307 119.307 120.432 -1.125 19151 12472 1 17 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.154 0.022 19151 12473 1 17 . 1 1 26 26 LEU C C 26 179.863 179.863 179.759 0.104 19151 12474 1 17 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.386 -0.440 19151 12475 1 17 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.361 -0.221 19151 12476 1 17 . 1 1 26 26 LEU H H 26 8.509 8.509 8.457 0.052 19151 12477 1 17 . 1 1 27 27 THR N N 27 117.830 117.830 115.903 1.927 19151 12478 1 17 . 1 1 27 27 THR HA H 27 4.524 4.524 4.245 0.279 19151 12479 1 17 . 1 1 27 27 THR C C 27 179.027 179.027 176.402 2.625 19151 12480 1 17 . 1 1 27 27 THR CA C 27 66.000 66.000 66.511 -0.511 19151 12481 1 17 . 1 1 27 27 THR CB C 27 68.600 68.600 68.879 -0.279 19151 12482 1 17 . 1 1 27 27 THR H H 27 8.796 8.796 8.508 0.288 19151 12483 1 17 . 1 1 28 28 ALA N N 28 126.313 126.313 122.679 3.634 19151 12484 1 17 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.153 0.052 19151 12485 1 17 . 1 1 28 28 ALA C C 28 179.360 179.360 179.408 -0.048 19151 12486 1 17 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.410 0.590 19151 12487 1 17 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.310 -0.660 19151 12488 1 17 . 1 1 28 28 ALA H H 28 7.832 7.832 7.937 -0.105 19151 12489 1 17 . 1 1 29 29 GLN N N 29 115.527 115.527 116.518 -0.991 19151 12490 1 17 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.148 -0.021 19151 12491 1 17 . 1 1 29 29 GLN C C 29 176.547 176.547 176.866 -0.319 19151 12492 1 17 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.913 -0.350 19151 12493 1 17 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.720 -0.310 19151 12494 1 17 . 1 1 29 29 GLN H H 29 7.353 7.353 8.170 -0.817 19151 12495 1 17 . 1 1 30 30 GLY N N 30 105.961 105.961 105.272 0.689 19151 12496 1 17 . 1 1 30 30 GLY C C 30 174.785 174.785 173.554 1.231 19151 12497 1 17 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.554 -0.054 19151 12498 1 17 . 1 1 30 30 GLY H H 30 7.923 7.923 7.659 0.265 19151 12499 1 17 . 1 1 31 31 HIS N N 31 119.471 119.471 117.431 2.040 19151 12500 1 17 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.799 0.036 19151 12501 1 17 . 1 1 31 31 HIS C C 31 174.665 174.665 173.650 1.015 19151 12502 1 17 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.690 1.152 19151 12503 1 17 . 1 1 31 31 HIS CB C 31 32.000 32.000 32.851 -0.851 19151 12504 1 17 . 1 1 31 31 HIS H H 31 7.558 7.558 8.109 -0.551 19151 12505 1 17 . 1 1 32 32 LYS N N 32 121.854 121.854 123.126 -1.272 19151 12506 1 17 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.401 0.322 19151 12507 1 17 . 1 1 32 32 LYS C C 32 174.466 174.466 174.863 -0.397 19151 12508 1 17 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.947 -0.082 19151 12509 1 17 . 1 1 32 32 LYS CB C 32 32.960 32.960 31.589 1.371 19151 12510 1 17 . 1 1 32 32 LYS H H 32 8.665 8.665 8.745 -0.080 19151 12511 1 17 . 1 1 33 33 ALA N N 33 130.188 130.188 128.855 1.333 19151 12512 1 17 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.625 0.193 19151 12513 1 17 . 1 1 33 33 ALA C C 33 175.567 175.567 176.622 -1.055 19151 12514 1 17 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.848 -0.872 19151 12515 1 17 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.616 0.682 19151 12516 1 17 . 1 1 33 33 ALA H H 33 8.837 8.837 7.979 0.858 19151 12517 1 17 . 1 1 34 34 THR N N 34 117.164 117.164 117.299 -0.135 19151 12518 1 17 . 1 1 34 34 THR HA H 34 4.359 4.359 4.560 -0.201 19151 12519 1 17 . 1 1 34 34 THR C C 34 171.315 171.315 172.799 -1.484 19151 12520 1 17 . 1 1 34 34 THR CA C 34 61.840 61.840 60.998 0.842 19151 12521 1 17 . 1 1 34 34 THR CB C 34 71.800 71.800 71.943 -0.143 19151 12522 1 17 . 1 1 34 34 THR H H 34 7.826 7.826 8.756 -0.930 19151 12523 1 17 . 1 1 35 35 VAL N N 35 126.650 126.650 122.714 3.936 19151 12524 1 17 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.490 -0.307 19151 12525 1 17 . 1 1 35 35 VAL C C 35 174.675 174.675 175.098 -0.423 19151 12526 1 17 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.590 0.338 19151 12527 1 17 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.457 0.193 19151 12528 1 17 . 1 1 35 35 VAL H H 35 8.496 8.496 8.395 0.101 19151 12529 1 17 . 1 1 36 36 PHE N N 36 127.630 127.630 125.924 1.706 19151 12530 1 17 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.707 -0.156 19151 12531 1 17 . 1 1 36 36 PHE C C 36 174.347 174.347 174.240 0.107 19151 12532 1 17 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.558 0.924 19151 12533 1 17 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.816 -0.651 19151 12534 1 17 . 1 1 36 36 PHE H H 36 9.164 9.164 9.220 -0.056 19151 12535 1 17 . 1 1 37 37 GLU N N 37 123.516 123.516 123.804 -0.288 19151 12536 1 17 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.455 0.015 19151 12537 1 17 . 1 1 37 37 GLU C C 37 175.954 175.954 176.094 -0.140 19151 12538 1 17 . 1 1 37 37 GLU CA C 37 55.719 55.719 55.760 -0.041 19151 12539 1 17 . 1 1 37 37 GLU CB C 37 31.460 31.460 31.035 0.425 19151 12540 1 17 . 1 1 37 37 GLU H H 37 8.455 8.455 8.676 -0.221 19151 12541 1 17 . 1 1 38 38 ASP N N 38 120.395 120.395 122.515 -2.120 19151 12542 1 17 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.426 0.407 19151 12543 1 17 . 1 1 38 38 ASP C C 38 173.920 173.920 174.552 -0.632 19151 12544 1 17 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.207 0.270 19151 12545 1 17 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.670 -0.067 19151 12546 1 17 . 1 1 38 38 ASP H H 38 9.602 9.602 8.451 1.151 19151 12547 1 17 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.534 0.146 19151 12548 1 17 . 1 1 39 39 PRO C C 39 176.274 176.274 176.204 0.070 19151 12549 1 17 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.321 -0.337 19151 12550 1 17 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.977 1.423 19151 12551 1 17 . 1 1 40 40 GLU N N 40 119.026 119.026 120.518 -1.492 19151 12552 1 17 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.607 0.121 19151 12553 1 17 . 1 1 40 40 GLU C C 40 177.827 177.827 177.700 0.127 19151 12554 1 17 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.854 -0.884 19151 12555 1 17 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.659 1.741 19151 12556 1 17 . 1 1 40 40 GLU H H 40 9.178 9.178 8.449 0.729 19151 12557 1 17 . 1 1 41 41 LEU N N 41 123.708 123.708 124.490 -0.782 19151 12558 1 17 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.209 -0.315 19151 12559 1 17 . 1 1 41 41 LEU C C 41 178.730 178.730 178.212 0.518 19151 12560 1 17 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.580 0.828 19151 12561 1 17 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.825 -0.172 19151 12562 1 17 . 1 1 41 41 LEU H H 41 9.160 9.160 8.812 0.348 19151 12563 1 17 . 1 1 42 42 SER N N 42 110.500 110.500 114.565 -4.065 19151 12564 1 17 . 1 1 42 42 SER HA H 42 4.010 4.010 4.286 -0.276 19151 12565 1 17 . 1 1 42 42 SER C C 42 176.300 176.300 175.134 1.166 19151 12566 1 17 . 1 1 42 42 SER CA C 42 61.600 61.600 60.867 0.732 19151 12567 1 17 . 1 1 42 42 SER CB C 42 62.140 62.140 62.811 -0.671 19151 12568 1 17 . 1 1 42 42 SER H H 42 8.415 8.415 8.594 -0.179 19151 12569 1 17 . 1 1 43 43 ASP N N 43 119.770 119.770 120.836 -1.066 19151 12570 1 17 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.668 -0.211 19151 12571 1 17 . 1 1 43 43 ASP C C 43 176.150 176.150 176.359 -0.209 19151 12572 1 17 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.622 1.128 19151 12573 1 17 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.974 1.726 19151 12574 1 17 . 1 1 43 43 ASP H H 43 7.690 7.690 7.941 -0.251 19151 12575 1 17 . 1 1 44 44 TRP N N 44 118.500 118.500 121.139 -2.639 19151 12576 1 17 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.517 -0.307 19151 12577 1 17 . 1 1 44 44 TRP C C 44 177.150 177.150 177.704 -0.554 19151 12578 1 17 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.531 0.856 19151 12579 1 17 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.073 0.237 19151 12580 1 17 . 1 1 44 44 TRP H H 44 7.464 7.464 7.304 0.160 19151 12581 1 17 . 1 1 45 45 LEU N N 45 114.100 114.100 120.642 -6.542 19151 12582 1 17 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.066 0.109 19151 12583 1 17 . 1 1 45 45 LEU C C 45 176.300 176.300 175.814 0.486 19151 12584 1 17 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.151 -0.591 19151 12585 1 17 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.295 -0.075 19151 12586 1 17 . 1 1 45 45 LEU H H 45 7.550 7.550 8.393 -0.843 19151 12587 1 17 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.104 0.276 19151 12588 1 17 . 1 1 46 46 PRO C C 46 176.799 176.799 177.007 -0.208 19151 12589 1 17 . 1 1 46 46 PRO CA C 46 65.287 65.287 65.137 0.150 19151 12590 1 17 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.221 0.379 19151 12591 1 17 . 1 1 47 47 TYR N N 47 113.790 113.790 113.713 0.077 19151 12592 1 17 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.602 -0.482 19151 12593 1 17 . 1 1 47 47 TYR C C 47 175.730 175.730 177.774 -2.044 19151 12594 1 17 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.144 2.056 19151 12595 1 17 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.448 0.568 19151 12596 1 17 . 1 1 47 47 TYR H H 47 8.291 8.291 8.046 0.245 19151 12597 1 17 . 1 1 48 48 GLN N N 48 116.524 116.524 120.129 -3.605 19151 12598 1 17 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.973 -0.088 19151 12599 1 17 . 1 1 48 48 GLN C C 48 174.381 174.381 175.998 -1.617 19151 12600 1 17 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.569 0.257 19151 12601 1 17 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.741 2.259 19151 12602 1 17 . 1 1 48 48 GLN H H 48 7.300 7.300 7.490 -0.190 19151 12603 1 17 . 1 1 49 49 ASP N N 49 114.657 114.657 111.985 2.672 19151 12604 1 17 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.658 0.029 19151 12605 1 17 . 1 1 49 49 ASP C C 49 176.307 176.307 175.782 0.525 19151 12606 1 17 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.961 -2.226 19151 12607 1 17 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.029 -0.829 19151 12608 1 17 . 1 1 49 49 ASP H H 49 7.854 7.854 8.390 -0.536 19151 12609 1 17 . 1 1 50 50 LYS N N 50 123.514 123.514 119.528 3.986 19151 12610 1 17 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.567 0.023 19151 12611 1 17 . 1 1 50 50 LYS C C 50 172.964 172.964 175.144 -2.180 19151 12612 1 17 . 1 1 50 50 LYS CA C 50 54.693 54.693 54.597 0.096 19151 12613 1 17 . 1 1 50 50 LYS CB C 50 33.500 33.500 34.953 -1.453 19151 12614 1 17 . 1 1 50 50 LYS H H 50 7.833 7.833 7.567 0.266 19151 12615 1 17 . 1 1 51 51 TYR N N 51 118.375 118.375 115.686 2.689 19151 12616 1 17 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.733 0.322 19151 12617 1 17 . 1 1 51 51 TYR C C 51 175.875 175.875 176.479 -0.604 19151 12618 1 17 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.545 0.876 19151 12619 1 17 . 1 1 51 51 TYR CB C 51 42.477 42.477 40.750 1.727 19151 12620 1 17 . 1 1 51 51 TYR H H 51 7.745 7.745 7.944 -0.199 19151 12621 1 17 . 1 1 52 52 VAL N N 52 112.527 112.527 113.542 -1.015 19151 12622 1 17 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.923 0.577 19151 12623 1 17 . 1 1 52 52 VAL C C 52 173.910 173.910 173.990 -0.080 19151 12624 1 17 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.296 -1.600 19151 12625 1 17 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.538 0.955 19151 12626 1 17 . 1 1 52 52 VAL H H 52 8.673 8.673 8.239 0.434 19151 12627 1 17 . 1 1 53 53 LEU N N 53 124.294 124.294 123.410 0.884 19151 12628 1 17 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.200 -0.300 19151 12629 1 17 . 1 1 53 53 LEU C C 53 175.070 175.070 174.438 0.632 19151 12630 1 17 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.575 -1.010 19151 12631 1 17 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.444 -1.214 19151 12632 1 17 . 1 1 53 53 LEU H H 53 9.137 9.137 9.110 0.027 19151 12633 1 17 . 1 1 54 54 VAL N N 54 127.850 127.850 127.070 0.780 19151 12634 1 17 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.749 -0.239 19151 12635 1 17 . 1 1 54 54 VAL C C 54 174.030 174.030 174.455 -0.425 19151 12636 1 17 . 1 1 54 54 VAL CA C 54 61.825 61.825 60.927 0.898 19151 12637 1 17 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.191 -0.500 19151 12638 1 17 . 1 1 54 54 VAL H H 54 8.619 8.619 9.061 -0.442 19151 12639 1 17 . 1 1 55 55 VAL N N 55 127.181 127.181 127.906 -0.725 19151 12640 1 17 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.743 0.342 19151 12641 1 17 . 1 1 55 55 VAL C C 55 174.942 174.942 174.339 0.603 19151 12642 1 17 . 1 1 55 55 VAL CA C 55 60.069 60.069 61.022 -0.953 19151 12643 1 17 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.846 -0.624 19151 12644 1 17 . 1 1 55 55 VAL H H 55 8.578 8.578 8.912 -0.334 19151 12645 1 17 . 1 1 56 56 THR N N 56 117.420 117.420 121.141 -3.721 19151 12646 1 17 . 1 1 56 56 THR HA H 56 5.590 5.590 4.675 0.915 19151 12647 1 17 . 1 1 56 56 THR C C 56 172.640 172.640 173.097 -0.457 19151 12648 1 17 . 1 1 56 56 THR CA C 56 59.359 59.359 60.776 -1.417 19151 12649 1 17 . 1 1 56 56 THR CB C 56 70.715 70.715 70.420 0.295 19151 12650 1 17 . 1 1 56 56 THR H H 56 8.710 8.710 8.993 -0.283 19151 12651 1 17 . 1 1 57 57 SER HA H 57 5.250 5.250 4.987 0.263 19151 12652 1 17 . 1 1 57 57 SER CA C 57 57.730 57.730 57.622 0.108 19151 12653 1 17 . 1 1 57 57 SER CB C 57 64.500 64.500 63.082 1.418 19151 12654 1 17 . 1 1 57 57 SER H H 57 8.075 8.075 8.941 -0.866 19151 12655 1 17 . 1 1 58 58 THR H H 58 7.900 7.900 7.535 0.365 19151 12656 1 17 . 1 1 59 59 THR HA H 59 4.900 4.900 3.772 1.128 19151 12657 1 17 . 1 1 59 59 THR CA C 59 61.200 61.200 66.082 -4.882 19151 12658 1 17 . 1 1 59 59 THR CB C 59 73.400 73.400 68.921 4.479 19151 12659 1 17 . 1 1 59 59 THR H H 59 9.230 9.230 8.210 1.020 19151 12660 1 17 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.616 0.884 19151 12661 1 17 . 1 1 61 61 GLN HA H 61 4.406 4.406 3.992 0.414 19151 12662 1 17 . 1 1 61 61 GLN C C 61 175.950 175.950 176.439 -0.489 19151 12663 1 17 . 1 1 61 61 GLN CA C 61 55.350 55.350 58.024 -2.674 19151 12664 1 17 . 1 1 61 61 GLN CB C 61 29.160 29.160 28.850 0.310 19151 12665 1 17 . 1 1 62 62 GLY N N 62 108.420 108.420 104.495 3.925 19151 12666 1 17 . 1 1 62 62 GLY C C 62 173.134 173.134 172.248 0.886 19151 12667 1 17 . 1 1 62 62 GLY CA C 62 45.784 45.784 45.165 0.619 19151 12668 1 17 . 1 1 62 62 GLY H H 62 8.073 8.073 8.063 0.010 19151 12669 1 17 . 1 1 63 63 ASP N N 63 118.400 118.400 118.384 0.016 19151 12670 1 17 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.588 0.192 19151 12671 1 17 . 1 1 63 63 ASP CA C 63 53.296 53.296 53.018 0.278 19151 12672 1 17 . 1 1 63 63 ASP CB C 63 42.740 42.740 42.374 0.366 19151 12673 1 17 . 1 1 63 63 ASP H H 63 7.248 7.248 7.776 -0.528 19151 12674 1 17 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.332 0.068 19151 12675 1 17 . 1 1 64 64 LEU CA C 64 53.150 53.150 52.791 0.359 19151 12676 1 17 . 1 1 64 64 LEU CB C 64 41.687 41.687 41.911 -0.224 19151 12677 1 17 . 1 1 64 64 LEU H H 64 8.445 8.445 8.079 0.366 19151 12678 1 17 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.686 -0.393 19151 12679 1 17 . 1 1 65 65 PRO CA C 65 62.344 62.344 61.628 0.716 19151 12680 1 17 . 1 1 65 65 PRO CB C 65 32.480 32.480 33.068 -0.588 19151 12681 1 17 . 1 1 66 66 ASP N N 66 121.200 121.200 119.517 1.683 19151 12682 1 17 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.401 -0.141 19151 12683 1 17 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.521 1.109 19151 12684 1 17 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.696 0.104 19151 12685 1 17 . 1 1 66 66 ASP H H 66 8.605 8.605 8.553 0.052 19151 12686 1 17 . 1 1 67 67 SER HA H 67 4.292 4.292 4.389 -0.097 19151 12687 1 17 . 1 1 67 67 SER C C 67 175.650 175.650 175.175 0.475 19151 12688 1 17 . 1 1 67 67 SER CA C 67 60.500 60.500 60.881 -0.381 19151 12689 1 17 . 1 1 67 67 SER CB C 67 63.530 63.530 64.113 -0.583 19151 12690 1 17 . 1 1 68 68 ILE N N 68 120.550 120.550 120.698 -0.148 19151 12691 1 17 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.489 0.621 19151 12692 1 17 . 1 1 68 68 ILE C C 68 174.713 174.713 176.690 -1.977 19151 12693 1 17 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.860 -0.460 19151 12694 1 17 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.723 3.517 19151 12695 1 17 . 1 1 68 68 ILE H H 68 7.870 7.870 7.501 0.369 19151 12696 1 17 . 1 1 69 69 VAL N N 69 125.740 125.740 123.449 2.291 19151 12697 1 17 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.789 -0.044 19151 12698 1 17 . 1 1 69 69 VAL C C 69 174.500 174.500 174.905 -0.405 19151 12699 1 17 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.193 -0.643 19151 12700 1 17 . 1 1 69 69 VAL CB C 69 30.130 30.130 28.789 1.341 19151 12701 1 17 . 1 1 69 69 VAL H H 69 7.428 7.428 8.670 -1.242 19151 12702 1 17 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.346 -0.054 19151 12703 1 17 . 1 1 70 70 PRO C C 70 180.820 180.820 179.127 1.693 19151 12704 1 17 . 1 1 70 70 PRO CA C 70 66.470 66.470 65.900 0.570 19151 12705 1 17 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.285 -0.628 19151 12706 1 17 . 1 1 71 71 LEU N N 71 119.467 119.467 120.291 -0.824 19151 12707 1 17 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.039 -0.194 19151 12708 1 17 . 1 1 71 71 LEU C C 71 176.489 176.489 178.269 -1.780 19151 12709 1 17 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.842 0.365 19151 12710 1 17 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.813 -0.327 19151 12711 1 17 . 1 1 71 71 LEU H H 71 7.918 7.918 7.357 0.561 19151 12712 1 17 . 1 1 72 72 PHE N N 72 119.361 119.361 119.523 -0.162 19151 12713 1 17 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.297 -0.152 19151 12714 1 17 . 1 1 72 72 PHE C C 72 175.968 175.968 177.180 -1.212 19151 12715 1 17 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.737 0.084 19151 12716 1 17 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.635 0.912 19151 12717 1 17 . 1 1 72 72 PHE H H 72 7.903 7.903 8.633 -0.730 19151 12718 1 17 . 1 1 73 73 GLN N N 73 116.100 116.100 116.769 -0.669 19151 12719 1 17 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.716 -0.189 19151 12720 1 17 . 1 1 73 73 GLN C C 73 177.871 177.871 178.593 -0.722 19151 12721 1 17 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.816 -0.676 19151 12722 1 17 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.487 -0.340 19151 12723 1 17 . 1 1 73 73 GLN H H 73 9.042 9.042 8.942 0.100 19151 12724 1 17 . 1 1 74 74 GLY N N 74 107.110 107.110 108.617 -1.507 19151 12725 1 17 . 1 1 74 74 GLY C C 74 175.894 175.894 176.129 -0.235 19151 12726 1 17 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.829 0.451 19151 12727 1 17 . 1 1 74 74 GLY H H 74 8.045 8.045 7.791 0.254 19151 12728 1 17 . 1 1 75 75 ILE N N 75 123.629 123.629 122.797 0.832 19151 12729 1 17 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.364 -0.314 19151 12730 1 17 . 1 1 75 75 ILE C C 75 178.622 178.622 177.072 1.550 19151 12731 1 17 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.805 0.452 19151 12732 1 17 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.458 0.510 19151 12733 1 17 . 1 1 75 75 ILE H H 75 8.174 8.174 8.034 0.140 19151 12734 1 17 . 1 1 76 76 LYS N N 76 119.363 119.363 118.385 0.978 19151 12735 1 17 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.797 -0.492 19151 12736 1 17 . 1 1 76 76 LYS C C 76 177.909 177.909 178.246 -0.337 19151 12737 1 17 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.195 0.510 19151 12738 1 17 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.921 0.429 19151 12739 1 17 . 1 1 76 76 LYS H H 76 7.600 7.600 7.501 0.099 19151 12740 1 17 . 1 1 77 77 ASP N N 77 115.190 115.190 118.046 -2.856 19151 12741 1 17 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.751 -0.269 19151 12742 1 17 . 1 1 77 77 ASP C C 77 178.825 178.825 177.756 1.069 19151 12743 1 17 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.821 0.459 19151 12744 1 17 . 1 1 77 77 ASP CB C 77 41.190 41.190 42.478 -1.288 19151 12745 1 17 . 1 1 77 77 ASP H H 77 8.482 8.482 8.291 0.191 19151 12746 1 17 . 1 1 78 78 SER N N 78 112.576 112.576 115.449 -2.873 19151 12747 1 17 . 1 1 78 78 SER HA H 78 4.728 4.728 4.377 0.351 19151 12748 1 17 . 1 1 78 78 SER C C 78 174.556 174.556 174.948 -0.392 19151 12749 1 17 . 1 1 78 78 SER CA C 78 60.045 60.045 59.758 0.287 19151 12750 1 17 . 1 1 78 78 SER CB C 78 64.643 64.643 64.065 0.578 19151 12751 1 17 . 1 1 78 78 SER H H 78 8.273 8.273 7.880 0.393 19151 12752 1 17 . 1 1 79 79 LEU N N 79 120.833 120.833 120.674 0.159 19151 12753 1 17 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.437 0.378 19151 12754 1 17 . 1 1 79 79 LEU C C 79 176.251 176.251 179.113 -2.862 19151 12755 1 17 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.386 -2.426 19151 12756 1 17 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.113 -2.917 19151 12757 1 17 . 1 1 79 79 LEU H H 79 7.025 7.025 7.497 -0.472 19151 12758 1 17 . 1 1 80 80 GLY N N 80 108.861 108.861 107.044 1.817 19151 12759 1 17 . 1 1 80 80 GLY C C 80 173.623 173.623 173.560 0.063 19151 12760 1 17 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.605 -0.376 19151 12761 1 17 . 1 1 80 80 GLY H H 80 7.499 7.499 8.331 -0.832 19151 12762 1 17 . 1 1 81 81 PHE N N 81 121.441 121.441 120.500 0.941 19151 12763 1 17 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.820 0.240 19151 12764 1 17 . 1 1 81 81 PHE C C 81 174.411 174.411 172.616 1.795 19151 12765 1 17 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.288 -0.077 19151 12766 1 17 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.463 -0.843 19151 12767 1 17 . 1 1 81 81 PHE H H 81 8.018 8.018 7.453 0.565 19151 12768 1 17 . 1 1 82 82 GLN N N 82 126.480 126.480 124.006 2.474 19151 12769 1 17 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.652 0.238 19151 12770 1 17 . 1 1 82 82 GLN C C 82 172.700 172.700 173.301 -0.601 19151 12771 1 17 . 1 1 82 82 GLN CA C 82 54.177 54.177 51.967 2.210 19151 12772 1 17 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.795 1.805 19151 12773 1 17 . 1 1 82 82 GLN H H 82 9.588 9.588 7.497 2.091 19151 12774 1 17 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.297 0.076 19151 12775 1 17 . 1 1 83 83 PRO C C 83 178.163 178.163 176.650 1.513 19151 12776 1 17 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.213 -0.522 19151 12777 1 17 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.581 -0.716 19151 12778 1 17 . 1 1 84 84 ASN N N 84 116.900 116.900 114.299 2.601 19151 12779 1 17 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.907 -0.138 19151 12780 1 17 . 1 1 84 84 ASN C C 84 173.332 173.332 173.770 -0.438 19151 12781 1 17 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.608 -0.048 19151 12782 1 17 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.687 -1.427 19151 12783 1 17 . 1 1 84 84 ASN H H 84 8.578 8.578 8.268 0.310 19151 12784 1 17 . 1 1 85 85 LEU N N 85 124.380 124.380 123.150 1.230 19151 12785 1 17 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.504 -0.458 19151 12786 1 17 . 1 1 85 85 LEU C C 85 175.880 175.880 175.507 0.373 19151 12787 1 17 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.668 1.174 19151 12788 1 17 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.426 -1.126 19151 12789 1 17 . 1 1 85 85 LEU H H 85 7.240 7.240 7.683 -0.443 19151 12790 1 17 . 1 1 86 86 ARG N N 86 128.715 128.715 123.875 4.840 19151 12791 1 17 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.098 0.696 19151 12792 1 17 . 1 1 86 86 ARG C C 86 175.554 175.554 174.692 0.862 19151 12793 1 17 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.321 0.121 19151 12794 1 17 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.266 -1.393 19151 12795 1 17 . 1 1 86 86 ARG H H 86 7.732 7.732 8.228 -0.496 19151 12796 1 17 . 1 1 87 87 TYR N N 87 117.420 117.420 119.265 -1.845 19151 12797 1 17 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.604 1.161 19151 12798 1 17 . 1 1 87 87 TYR C C 87 172.931 172.931 173.159 -0.228 19151 12799 1 17 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.448 -1.187 19151 12800 1 17 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.635 3.303 19151 12801 1 17 . 1 1 87 87 TYR H H 87 8.783 8.783 8.136 0.647 19151 12802 1 17 . 1 1 88 88 GLY N N 88 107.765 107.765 105.381 2.384 19151 12803 1 17 . 1 1 88 88 GLY C C 88 172.621 172.621 171.365 1.256 19151 12804 1 17 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.806 1.055 19151 12805 1 17 . 1 1 88 88 GLY H H 88 8.905 8.905 8.602 0.303 19151 12806 1 17 . 1 1 89 89 VAL N N 89 118.180 118.180 116.662 1.518 19151 12807 1 17 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.826 0.175 19151 12808 1 17 . 1 1 89 89 VAL C C 89 172.939 172.939 173.587 -0.648 19151 12809 1 17 . 1 1 89 89 VAL CA C 89 60.999 60.999 59.428 1.571 19151 12810 1 17 . 1 1 89 89 VAL CB C 89 36.398 36.398 34.703 1.695 19151 12811 1 17 . 1 1 89 89 VAL H H 89 7.499 7.499 8.090 -0.591 19151 12812 1 17 . 1 1 90 90 ILE N N 90 125.000 125.000 124.592 0.408 19151 12813 1 17 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.071 0.056 19151 12814 1 17 . 1 1 90 90 ILE C C 90 173.099 173.099 173.699 -0.600 19151 12815 1 17 . 1 1 90 90 ILE CA C 90 60.488 60.488 60.036 0.452 19151 12816 1 17 . 1 1 90 90 ILE CB C 90 40.398 40.398 39.162 1.236 19151 12817 1 17 . 1 1 90 90 ILE H H 90 8.810 8.810 8.931 -0.121 19151 12818 1 17 . 1 1 91 91 ALA N N 91 129.036 129.036 129.719 -0.683 19151 12819 1 17 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.303 0.023 19151 12820 1 17 . 1 1 91 91 ALA C C 91 174.000 174.000 175.763 -1.763 19151 12821 1 17 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.887 -0.887 19151 12822 1 17 . 1 1 91 91 ALA CB C 91 22.100 22.100 20.909 1.191 19151 12823 1 17 . 1 1 91 91 ALA H H 91 9.253 9.253 8.840 0.413 19151 12824 1 17 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.111 -0.180 19151 12825 1 17 . 1 1 92 92 LEU C C 92 177.366 177.366 176.157 1.209 19151 12826 1 17 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.087 0.830 19151 12827 1 17 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.361 -2.961 19151 12828 1 17 . 1 1 93 93 GLY N N 93 110.663 110.663 106.986 3.677 19151 12829 1 17 . 1 1 93 93 GLY C C 93 172.029 172.029 172.245 -0.216 19151 12830 1 17 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.243 0.487 19151 12831 1 17 . 1 1 93 93 GLY H H 93 8.687 8.687 8.832 -0.145 19151 12832 1 17 . 1 1 94 94 ASP N N 94 119.304 119.304 120.416 -1.112 19151 12833 1 17 . 1 1 94 94 ASP HA H 94 5.260 5.260 4.735 0.525 19151 12834 1 17 . 1 1 94 94 ASP C C 94 176.978 176.978 176.704 0.274 19151 12835 1 17 . 1 1 94 94 ASP CA C 94 53.607 53.607 54.426 -0.820 19151 12836 1 17 . 1 1 94 94 ASP CB C 94 43.000 43.000 41.259 1.741 19151 12837 1 17 . 1 1 94 94 ASP H H 94 8.129 8.129 8.767 -0.638 19151 12838 1 17 . 1 1 95 95 SER N N 95 123.897 123.897 122.362 1.535 19151 12839 1 17 . 1 1 95 95 SER HA H 95 3.895 3.895 4.426 -0.531 19151 12840 1 17 . 1 1 95 95 SER C C 95 175.243 175.243 175.561 -0.318 19151 12841 1 17 . 1 1 95 95 SER CA C 95 60.183 60.183 59.737 0.446 19151 12842 1 17 . 1 1 95 95 SER CB C 95 61.700 61.700 62.983 -1.283 19151 12843 1 17 . 1 1 95 95 SER H H 95 8.878 8.878 8.722 0.156 19151 12844 1 17 . 1 1 96 96 SER N N 96 119.248 119.248 116.659 2.589 19151 12845 1 17 . 1 1 96 96 SER HA H 96 4.209 4.209 4.323 -0.114 19151 12846 1 17 . 1 1 96 96 SER C C 96 173.900 173.900 174.970 -1.070 19151 12847 1 17 . 1 1 96 96 SER CA C 96 60.197 60.197 60.110 0.087 19151 12848 1 17 . 1 1 96 96 SER CB C 96 63.000 63.000 63.508 -0.508 19151 12849 1 17 . 1 1 96 96 SER H H 96 9.124 9.124 8.120 1.004 19151 12850 1 17 . 1 1 97 97 TYR N N 97 120.889 120.889 119.261 1.628 19151 12851 1 17 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.407 0.481 19151 12852 1 17 . 1 1 97 97 TYR C C 97 175.972 175.972 178.200 -2.228 19151 12853 1 17 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.969 -3.219 19151 12854 1 17 . 1 1 97 97 TYR CB C 97 39.820 39.820 38.565 1.256 19151 12855 1 17 . 1 1 97 97 TYR H H 97 7.664 7.664 7.755 -0.091 19151 12856 1 17 . 1 1 98 98 VAL N N 98 116.952 116.952 121.568 -4.616 19151 12857 1 17 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.874 0.186 19151 12858 1 17 . 1 1 98 98 VAL C C 98 175.969 175.969 176.856 -0.887 19151 12859 1 17 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.258 -2.418 19151 12860 1 17 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.626 0.974 19151 12861 1 17 . 1 1 98 98 VAL H H 98 7.970 7.970 8.935 -0.965 19151 12862 1 17 . 1 1 99 99 ASN N N 99 118.156 118.156 116.722 1.434 19151 12863 1 17 . 1 1 99 99 ASN HA H 99 4.511 4.511 5.058 -0.547 19151 12864 1 17 . 1 1 99 99 ASN C C 99 174.329 174.329 175.184 -0.855 19151 12865 1 17 . 1 1 99 99 ASN CA C 99 53.031 53.031 52.410 0.621 19151 12866 1 17 . 1 1 99 99 ASN CB C 99 37.238 37.238 40.163 -2.925 19151 12867 1 17 . 1 1 99 99 ASN H H 99 8.296 8.296 7.820 0.476 19151 12868 1 17 . 1 1 100 100 PHE N N 100 118.649 118.649 121.642 -2.993 19151 12869 1 17 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.006 0.409 19151 12870 1 17 . 1 1 100 100 PHE C C 100 174.400 174.400 174.761 -0.361 19151 12871 1 17 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.525 -3.335 19151 12872 1 17 . 1 1 100 100 PHE CB C 100 39.679 39.679 37.762 1.917 19151 12873 1 17 . 1 1 100 100 PHE H H 100 7.855 7.855 7.899 -0.044 19151 12874 1 17 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.225 -0.640 19151 12875 1 17 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.809 4.931 19151 12876 1 17 . 1 1 101 101 CYS CB C 101 26.000 26.000 26.977 -0.977 19151 12877 1 17 . 1 1 101 101 CYS H H 101 9.240 9.240 8.101 1.139 19151 12878 1 17 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.372 -0.152 19151 12879 1 17 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.669 0.531 19151 12880 1 17 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.466 0.134 19151 12881 1 17 . 1 1 102 102 ASN H H 102 8.300 8.300 8.879 -0.579 19151 12882 1 17 . 1 1 103 103 GLY C C 103 175.690 175.690 176.014 -0.324 19151 12883 1 17 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.035 0.315 19151 12884 1 17 . 1 1 104 104 GLY N N 104 106.150 106.150 109.249 -3.099 19151 12885 1 17 . 1 1 104 104 GLY C C 104 174.570 174.570 176.127 -1.557 19151 12886 1 17 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.025 1.325 19151 12887 1 17 . 1 1 104 104 GLY H H 104 7.108 7.108 7.649 -0.541 19151 12888 1 17 . 1 1 105 105 LYS N N 105 120.732 120.732 122.210 -1.478 19151 12889 1 17 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.945 -0.008 19151 12890 1 17 . 1 1 105 105 LYS C C 105 179.706 179.706 179.147 0.559 19151 12891 1 17 . 1 1 105 105 LYS CA C 105 60.308 60.308 60.038 0.270 19151 12892 1 17 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.184 -0.387 19151 12893 1 17 . 1 1 105 105 LYS H H 105 7.708 7.708 7.575 0.133 19151 12894 1 17 . 1 1 106 106 GLN N N 106 119.087 119.087 117.263 1.824 19151 12895 1 17 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.226 -0.084 19151 12896 1 17 . 1 1 106 106 GLN C C 106 179.418 179.418 178.504 0.914 19151 12897 1 17 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.085 0.790 19151 12898 1 17 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.270 0.489 19151 12899 1 17 . 1 1 106 106 GLN H H 106 8.738 8.738 8.754 -0.016 19151 12900 1 17 . 1 1 107 107 PHE N N 107 123.088 123.088 120.413 2.675 19151 12901 1 17 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.323 -0.073 19151 12902 1 17 . 1 1 107 107 PHE C C 107 178.403 178.403 177.663 0.740 19151 12903 1 17 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.998 0.187 19151 12904 1 17 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.936 0.515 19151 12905 1 17 . 1 1 107 107 PHE H H 107 7.922 7.922 7.783 0.139 19151 12906 1 17 . 1 1 108 108 ASP N N 108 117.118 117.118 120.498 -3.380 19151 12907 1 17 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.602 -0.228 19151 12908 1 17 . 1 1 108 108 ASP C C 108 176.973 176.973 178.195 -1.222 19151 12909 1 17 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.719 0.710 19151 12910 1 17 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.281 2.842 19151 12911 1 17 . 1 1 108 108 ASP H H 108 8.305 8.305 8.261 0.044 19151 12912 1 17 . 1 1 109 109 ALA N N 109 118.590 118.590 122.779 -4.189 19151 12913 1 17 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.109 -0.059 19151 12914 1 17 . 1 1 109 109 ALA C C 109 180.430 180.430 179.885 0.545 19151 12915 1 17 . 1 1 109 109 ALA CA C 109 55.196 55.196 54.909 0.287 19151 12916 1 17 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.334 -0.227 19151 12917 1 17 . 1 1 109 109 ALA H H 109 8.332 8.332 7.991 0.341 19151 12918 1 17 . 1 1 110 110 LEU N N 110 120.402 120.402 120.148 0.254 19151 12919 1 17 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.873 0.212 19151 12920 1 17 . 1 1 110 110 LEU C C 110 177.801 177.801 178.989 -1.188 19151 12921 1 17 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.564 0.076 19151 12922 1 17 . 1 1 110 110 LEU CB C 110 41.756 41.756 41.003 0.753 19151 12923 1 17 . 1 1 110 110 LEU H H 110 7.868 7.868 7.630 0.238 19151 12924 1 17 . 1 1 111 111 LEU N N 111 116.945 116.945 117.327 -0.382 19151 12925 1 17 . 1 1 111 111 LEU HA H 111 3.718 3.718 4.093 -0.375 19151 12926 1 17 . 1 1 111 111 LEU C C 111 179.838 179.838 179.834 0.004 19151 12927 1 17 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.426 0.539 19151 12928 1 17 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.523 -2.663 19151 12929 1 17 . 1 1 111 111 LEU H H 111 7.704 7.704 7.375 0.329 19151 12930 1 17 . 1 1 112 112 GLN N N 112 118.484 118.484 116.224 2.260 19151 12931 1 17 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.128 0.013 19151 12932 1 17 . 1 1 112 112 GLN C C 112 181.218 181.218 177.990 3.228 19151 12933 1 17 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.688 1.278 19151 12934 1 17 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.285 0.975 19151 12935 1 17 . 1 1 112 112 GLN H H 112 8.441 8.441 7.679 0.762 19151 12936 1 17 . 1 1 113 113 GLU N N 113 122.905 122.905 117.861 5.044 19151 12937 1 17 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.156 0.025 19151 12938 1 17 . 1 1 113 113 GLU C C 113 178.001 178.001 177.192 0.809 19151 12939 1 17 . 1 1 113 113 GLU CA C 113 58.985 58.985 58.014 0.971 19151 12940 1 17 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.582 -0.312 19151 12941 1 17 . 1 1 113 113 GLU H H 113 8.305 8.305 7.920 0.385 19151 12942 1 17 . 1 1 114 114 GLN N N 114 117.332 117.332 119.272 -1.940 19151 12943 1 17 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.348 0.247 19151 12944 1 17 . 1 1 114 114 GLN C C 114 174.538 174.538 177.021 -2.483 19151 12945 1 17 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.197 -0.780 19151 12946 1 17 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.559 -4.729 19151 12947 1 17 . 1 1 114 114 GLN H H 114 7.520 7.520 7.470 0.050 19151 12948 1 17 . 1 1 115 115 SER N N 115 109.100 109.100 110.385 -1.285 19151 12949 1 17 . 1 1 115 115 SER HA H 115 4.200 4.200 4.440 -0.240 19151 12950 1 17 . 1 1 115 115 SER C C 115 172.302 172.302 173.220 -0.918 19151 12951 1 17 . 1 1 115 115 SER CA C 115 60.400 60.400 58.053 2.347 19151 12952 1 17 . 1 1 115 115 SER CB C 115 61.325 61.325 64.061 -2.736 19151 12953 1 17 . 1 1 115 115 SER H H 115 7.950 7.950 7.963 -0.013 19151 12954 1 17 . 1 1 116 116 ALA N N 116 121.059 121.059 125.158 -4.099 19151 12955 1 17 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.383 0.411 19151 12956 1 17 . 1 1 116 116 ALA C C 116 176.774 176.774 176.331 0.443 19151 12957 1 17 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.166 -0.476 19151 12958 1 17 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.603 0.762 19151 12959 1 17 . 1 1 116 116 ALA H H 116 7.813 7.813 7.793 0.020 19151 12960 1 17 . 1 1 117 117 GLN N N 117 118.000 118.000 119.373 -1.373 19151 12961 1 17 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.524 0.094 19151 12962 1 17 . 1 1 117 117 GLN C C 117 173.769 173.769 175.927 -2.158 19151 12963 1 17 . 1 1 117 117 GLN CA C 117 54.556 54.556 55.479 -0.923 19151 12964 1 17 . 1 1 117 117 GLN CB C 117 30.735 30.735 30.609 0.126 19151 12965 1 17 . 1 1 117 117 GLN H H 117 8.591 8.591 8.702 -0.111 19151 12966 1 17 . 1 1 118 118 ARG N N 118 127.947 127.947 120.230 7.717 19151 12967 1 17 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.127 -1.819 19151 12968 1 17 . 1 1 118 118 ARG C C 118 176.758 176.758 175.793 0.965 19151 12969 1 17 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.722 1.464 19151 12970 1 17 . 1 1 118 118 ARG CB C 118 30.310 30.310 32.936 -2.626 19151 12971 1 17 . 1 1 118 118 ARG H H 118 8.659 8.659 8.535 0.124 19151 12972 1 17 . 1 1 119 119 VAL N N 119 131.939 131.939 121.684 10.255 19151 12973 1 17 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.310 -0.197 19151 12974 1 17 . 1 1 119 119 VAL C C 119 176.775 176.775 175.994 0.781 19151 12975 1 17 . 1 1 119 119 VAL CA C 119 62.174 62.174 60.853 1.321 19151 12976 1 17 . 1 1 119 119 VAL CB C 119 32.394 32.394 34.048 -1.654 19151 12977 1 17 . 1 1 119 119 VAL H H 119 9.520 9.520 8.603 0.917 19151 12978 1 17 . 1 1 120 120 GLY N N 120 116.074 116.074 115.805 0.269 19151 12979 1 17 . 1 1 120 120 GLY C C 120 172.757 172.757 173.372 -0.615 19151 12980 1 17 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.503 -1.605 19151 12981 1 17 . 1 1 120 120 GLY H H 120 8.755 8.755 8.697 0.058 19151 12982 1 17 . 1 1 121 121 GLU N N 121 118.754 118.754 119.363 -0.609 19151 12983 1 17 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.754 -0.088 19151 12984 1 17 . 1 1 121 121 GLU C C 121 177.419 177.419 176.441 0.978 19151 12985 1 17 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.521 -0.030 19151 12986 1 17 . 1 1 121 121 GLU CB C 121 31.498 31.498 31.867 -0.369 19151 12987 1 17 . 1 1 121 121 GLU H H 121 8.594 8.594 8.633 -0.039 19151 12988 1 17 . 1 1 122 122 MET N N 122 122.642 122.642 121.647 0.995 19151 12989 1 17 . 1 1 122 122 MET HA H 122 4.415 4.415 4.812 -0.397 19151 12990 1 17 . 1 1 122 122 MET C C 122 175.351 175.351 175.224 0.127 19151 12991 1 17 . 1 1 122 122 MET CA C 122 57.024 57.024 54.833 2.191 19151 12992 1 17 . 1 1 122 122 MET CB C 122 34.210 34.210 33.271 0.939 19151 12993 1 17 . 1 1 122 122 MET H H 122 8.892 8.892 8.659 0.233 19151 12994 1 17 . 1 1 123 123 LEU N N 123 129.535 129.535 122.989 6.546 19151 12995 1 17 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.440 -0.090 19151 12996 1 17 . 1 1 123 123 LEU C C 123 173.124 173.124 174.130 -1.006 19151 12997 1 17 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.263 0.476 19151 12998 1 17 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.857 -1.779 19151 12999 1 17 . 1 1 123 123 LEU H H 123 7.868 7.868 7.800 0.068 19151 13000 1 17 . 1 1 124 124 LEU N N 124 127.120 127.120 126.178 0.942 19151 13001 1 17 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.740 0.315 19151 13002 1 17 . 1 1 124 124 LEU C C 124 176.379 176.379 176.071 0.308 19151 13003 1 17 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.157 0.393 19151 13004 1 17 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.814 -1.436 19151 13005 1 17 . 1 1 124 124 LEU H H 124 8.346 8.346 8.218 0.128 19151 13006 1 17 . 1 1 125 125 ILE N N 125 124.337 124.337 124.712 -0.375 19151 13007 1 17 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.248 -0.068 19151 13008 1 17 . 1 1 125 125 ILE C C 125 174.303 174.303 174.633 -0.330 19151 13009 1 17 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.380 0.720 19151 13010 1 17 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.920 -0.977 19151 13011 1 17 . 1 1 125 125 ILE H H 125 8.974 8.974 8.711 0.263 19151 13012 1 17 . 1 1 126 126 ASP N N 126 127.113 127.113 127.670 -0.557 19151 13013 1 17 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.543 -0.428 19151 13014 1 17 . 1 1 126 126 ASP C C 126 176.766 176.766 176.628 0.138 19151 13015 1 17 . 1 1 126 126 ASP CA C 126 51.847 51.847 51.639 0.208 19151 13016 1 17 . 1 1 126 126 ASP CB C 126 41.100 41.100 39.759 1.341 19151 13017 1 17 . 1 1 126 126 ASP H H 126 9.397 9.397 8.857 0.540 19151 13018 1 17 . 1 1 127 127 ALA N N 127 131.178 131.178 128.593 2.585 19151 13019 1 17 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.478 -0.162 19151 13020 1 17 . 1 1 127 127 ALA C C 127 178.530 178.530 178.564 -0.034 19151 13021 1 17 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.083 -0.236 19151 13022 1 17 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.060 -0.268 19151 13023 1 17 . 1 1 127 127 ALA H H 127 9.696 9.696 8.667 1.029 19151 13024 1 17 . 1 1 128 128 SER N N 128 112.064 112.064 113.294 -1.230 19151 13025 1 17 . 1 1 128 128 SER HA H 128 4.224 4.224 4.169 0.055 19151 13026 1 17 . 1 1 128 128 SER C C 128 175.000 175.000 175.770 -0.770 19151 13027 1 17 . 1 1 128 128 SER CA C 128 61.246 61.246 60.549 0.697 19151 13028 1 17 . 1 1 128 128 SER CB C 128 63.310 63.310 63.396 -0.086 19151 13029 1 17 . 1 1 128 128 SER H H 128 8.373 8.373 8.224 0.149 19151 13030 1 17 . 1 1 129 129 GLU N N 129 119.468 119.468 118.930 0.538 19151 13031 1 17 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.491 -0.091 19151 13032 1 17 . 1 1 129 129 GLU C C 129 175.947 175.947 175.982 -0.035 19151 13033 1 17 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.593 -0.178 19151 13034 1 17 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.727 0.002 19151 13035 1 17 . 1 1 129 129 GLU H H 129 7.267 7.267 7.774 -0.507 19151 13036 1 17 . 1 1 130 130 ASN N N 130 115.968 115.968 118.662 -2.694 19151 13037 1 17 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.132 0.034 19151 13038 1 17 . 1 1 130 130 ASN C C 130 172.000 172.000 173.899 -1.899 19151 13039 1 17 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.619 -0.396 19151 13040 1 17 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.902 -0.236 19151 13041 1 17 . 1 1 130 130 ASN H H 130 8.072 8.072 8.264 -0.192 19151 13042 1 17 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.496 0.054 19151 13043 1 17 . 1 1 131 131 PRO C C 131 176.400 176.400 176.092 0.308 19151 13044 1 17 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.835 -0.335 19151 13045 1 17 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.572 0.728 19151 13046 1 17 . 1 1 132 132 GLU N N 132 119.000 119.000 118.525 0.475 19151 13047 1 17 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.897 0.123 19151 13048 1 17 . 1 1 132 132 GLU C C 132 174.200 174.200 175.194 -0.994 19151 13049 1 17 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.018 -0.018 19151 13050 1 17 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.155 0.545 19151 13051 1 17 . 1 1 132 132 GLU H H 132 7.690 7.690 8.111 -0.421 19151 13052 1 17 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.204 -0.203 19151 13053 1 17 . 1 1 133 133 PRO C C 133 177.391 177.391 178.114 -0.723 19151 13054 1 17 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.242 0.228 19151 13055 1 17 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.926 0.219 19151 13056 1 17 . 1 1 134 134 GLU N N 134 122.846 122.846 118.073 4.773 19151 13057 1 17 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.278 0.942 19151 13058 1 17 . 1 1 134 134 GLU C C 134 178.385 178.385 178.749 -0.364 19151 13059 1 17 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.276 -1.684 19151 13060 1 17 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.285 -1.695 19151 13061 1 17 . 1 1 134 134 GLU H H 134 10.707 10.707 8.857 1.850 19151 13062 1 17 . 1 1 135 135 THR N N 135 113.016 113.016 111.440 1.576 19151 13063 1 17 . 1 1 135 135 THR HA H 135 4.182 4.182 4.253 -0.071 19151 13064 1 17 . 1 1 135 135 THR C C 135 176.460 176.460 175.523 0.937 19151 13065 1 17 . 1 1 135 135 THR CA C 135 64.752 64.752 64.974 -0.222 19151 13066 1 17 . 1 1 135 135 THR CB C 135 69.248 69.248 68.870 0.378 19151 13067 1 17 . 1 1 135 135 THR H H 135 8.168 8.168 8.133 0.035 19151 13068 1 17 . 1 1 136 136 GLU N N 136 118.978 118.978 121.451 -2.473 19151 13069 1 17 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.536 0.028 19151 13070 1 17 . 1 1 136 136 GLU C C 136 178.370 178.370 178.582 -0.212 19151 13071 1 17 . 1 1 136 136 GLU CA C 136 56.913 56.913 57.810 -0.897 19151 13072 1 17 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.781 1.319 19151 13073 1 17 . 1 1 136 136 GLU H H 136 7.680 7.680 7.622 0.058 19151 13074 1 17 . 1 1 137 137 SER N N 137 116.501 116.501 115.956 0.545 19151 13075 1 17 . 1 1 137 137 SER HA H 137 4.033 4.033 4.258 -0.225 19151 13076 1 17 . 1 1 137 137 SER C C 137 175.670 175.670 176.693 -1.023 19151 13077 1 17 . 1 1 137 137 SER CA C 137 62.330 62.330 61.921 0.409 19151 13078 1 17 . 1 1 137 137 SER CB C 137 61.380 61.380 63.103 -1.723 19151 13079 1 17 . 1 1 137 137 SER H H 137 8.824 8.824 8.525 0.299 19151 13080 1 17 . 1 1 138 138 ASN N N 138 123.517 123.517 121.380 2.137 19151 13081 1 17 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.743 -0.152 19151 13082 1 17 . 1 1 138 138 ASN C C 138 175.700 175.700 175.445 0.255 19151 13083 1 17 . 1 1 138 138 ASN CA C 138 57.486 57.486 56.830 0.656 19151 13084 1 17 . 1 1 138 138 ASN CB C 138 34.253 34.253 35.922 -1.669 19151 13085 1 17 . 1 1 138 138 ASN H H 138 8.564 8.564 8.241 0.323 19151 13086 1 17 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.355 0.100 19151 13087 1 17 . 1 1 139 139 PRO C C 139 180.033 180.033 178.555 1.478 19151 13088 1 17 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.320 0.290 19151 13089 1 17 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.456 -0.920 19151 13090 1 17 . 1 1 140 140 TRP N N 140 119.700 119.700 121.787 -2.087 19151 13091 1 17 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.414 -0.081 19151 13092 1 17 . 1 1 140 140 TRP C C 140 179.195 179.195 177.744 1.451 19151 13093 1 17 . 1 1 140 140 TRP CA C 140 62.180 62.180 62.212 -0.033 19151 13094 1 17 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.563 1.188 19151 13095 1 17 . 1 1 140 140 TRP H H 140 7.057 7.057 7.583 -0.526 19151 13096 1 17 . 1 1 141 141 VAL N N 141 122.879 122.879 119.472 3.407 19151 13097 1 17 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.611 0.125 19151 13098 1 17 . 1 1 141 141 VAL C C 141 177.416 177.416 178.554 -1.138 19151 13099 1 17 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.111 -0.395 19151 13100 1 17 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.593 -0.161 19151 13101 1 17 . 1 1 141 141 VAL H H 141 9.629 9.629 8.912 0.717 19151 13102 1 17 . 1 1 142 142 GLU N N 142 119.965 119.965 119.597 0.368 19151 13103 1 17 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.093 -0.361 19151 13104 1 17 . 1 1 142 142 GLU C C 142 178.800 178.800 178.388 0.412 19151 13105 1 17 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.131 0.201 19151 13106 1 17 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.459 0.101 19151 13107 1 17 . 1 1 142 142 GLU H H 142 8.551 8.551 8.219 0.332 19151 13108 1 17 . 1 1 143 143 HIS N N 143 115.364 115.364 119.456 -4.092 19151 13109 1 17 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.353 -0.063 19151 13110 1 17 . 1 1 143 143 HIS C C 143 177.840 177.840 176.632 1.208 19151 13111 1 17 . 1 1 143 143 HIS CA C 143 59.363 59.363 59.132 0.231 19151 13112 1 17 . 1 1 143 143 HIS CB C 143 29.362 29.362 30.218 -0.856 19151 13113 1 17 . 1 1 143 143 HIS H H 143 7.380 7.380 7.735 -0.355 19151 13114 1 17 . 1 1 144 144 TRP N N 144 126.680 126.680 121.718 4.962 19151 13115 1 17 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.790 -0.456 19151 13116 1 17 . 1 1 144 144 TRP C C 144 178.200 178.200 178.453 -0.253 19151 13117 1 17 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.788 2.172 19151 13118 1 17 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.434 0.091 19151 13119 1 17 . 1 1 144 144 TRP H H 144 9.215 9.215 8.539 0.676 19151 13120 1 17 . 1 1 145 145 GLY N N 145 100.130 100.130 105.450 -5.320 19151 13121 1 17 . 1 1 145 145 GLY C C 145 177.391 177.391 175.385 2.006 19151 13122 1 17 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.020 -0.260 19151 13123 1 17 . 1 1 145 145 GLY H H 145 8.834 8.834 8.599 0.235 19151 13124 1 17 . 1 1 146 146 THR N N 146 110.831 110.831 113.245 -2.414 19151 13125 1 17 . 1 1 146 146 THR HA H 146 4.319 4.319 4.022 0.297 19151 13126 1 17 . 1 1 146 146 THR C C 146 175.574 175.574 175.603 -0.029 19151 13127 1 17 . 1 1 146 146 THR CA C 146 63.260 63.260 63.947 -0.687 19151 13128 1 17 . 1 1 146 146 THR CB C 146 69.660 69.660 68.518 1.142 19151 13129 1 17 . 1 1 146 146 THR H H 146 7.594 7.594 7.482 0.112 19151 13130 1 17 . 1 1 147 147 LEU N N 147 120.678 120.678 120.173 0.505 19151 13131 1 17 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.067 -0.009 19151 13132 1 17 . 1 1 147 147 LEU C C 147 177.176 177.176 176.313 0.863 19151 13133 1 17 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.488 -1.174 19151 13134 1 17 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.489 -0.261 19151 13135 1 17 . 1 1 147 147 LEU H H 147 7.458 7.458 7.402 0.056 19151 13136 1 17 . 1 1 148 148 LEU N N 148 117.062 117.062 118.271 -1.209 19151 13137 1 17 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.950 -0.232 19151 13138 1 17 . 1 1 148 148 LEU C C 148 175.570 175.570 176.542 -0.972 19151 13139 1 17 . 1 1 148 148 LEU CA C 148 53.951 53.951 53.913 0.038 19151 13140 1 17 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.214 -1.614 19151 13141 1 17 . 1 1 148 148 LEU H H 148 6.482 6.482 6.926 -0.444 19151 13142 1 18 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.556 -0.327 19151 13143 1 18 . 1 1 2 2 ALA C C 2 173.315 173.315 175.954 -2.639 19151 13144 1 18 . 1 1 2 2 ALA CA C 2 51.580 51.580 52.359 -0.779 19151 13145 1 18 . 1 1 2 2 ALA CB C 2 20.223 20.223 20.007 0.216 19151 13146 1 18 . 1 1 3 3 GLU N N 3 121.874 121.874 121.501 0.373 19151 13147 1 18 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.458 -0.184 19151 13148 1 18 . 1 1 3 3 GLU C C 3 174.545 174.545 175.288 -0.743 19151 13149 1 18 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.142 0.708 19151 13150 1 18 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.975 -1.255 19151 13151 1 18 . 1 1 3 3 GLU H H 3 8.696 8.696 8.428 0.268 19151 13152 1 18 . 1 1 4 4 ILE N N 4 120.672 120.672 125.108 -4.436 19151 13153 1 18 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.639 0.470 19151 13154 1 18 . 1 1 4 4 ILE C C 4 175.463 175.463 174.915 0.548 19151 13155 1 18 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.051 -0.218 19151 13156 1 18 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.106 3.564 19151 13157 1 18 . 1 1 4 4 ILE H H 4 8.860 8.860 9.185 -0.325 19151 13158 1 18 . 1 1 5 5 GLY N N 5 119.310 119.310 114.719 4.591 19151 13159 1 18 . 1 1 5 5 GLY C C 5 171.260 171.260 172.922 -1.662 19151 13160 1 18 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.538 0.282 19151 13161 1 18 . 1 1 5 5 GLY H H 5 8.469 8.469 8.042 0.427 19151 13162 1 18 . 1 1 6 6 ILE N N 6 126.915 126.915 125.861 1.054 19151 13163 1 18 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.103 0.087 19151 13164 1 18 . 1 1 6 6 ILE C C 6 173.901 173.901 174.524 -0.623 19151 13165 1 18 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.639 -0.639 19151 13166 1 18 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.880 -1.880 19151 13167 1 18 . 1 1 6 6 ILE H H 6 9.056 9.056 9.286 -0.230 19151 13168 1 18 . 1 1 7 7 PHE N N 7 127.354 127.354 127.943 -0.589 19151 13169 1 18 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.244 -0.732 19151 13170 1 18 . 1 1 7 7 PHE C C 7 174.230 174.230 174.492 -0.262 19151 13171 1 18 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.437 1.973 19151 13172 1 18 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.821 0.907 19151 13173 1 18 . 1 1 7 7 PHE H H 7 8.960 8.960 9.653 -0.693 19151 13174 1 18 . 1 1 8 8 VAL N N 8 127.270 127.270 124.840 2.430 19151 13175 1 18 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.069 -0.009 19151 13176 1 18 . 1 1 8 8 VAL C C 8 175.450 175.450 175.769 -0.319 19151 13177 1 18 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.214 0.986 19151 13178 1 18 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.627 0.810 19151 13179 1 18 . 1 1 8 8 VAL H H 8 8.581 8.581 8.042 0.539 19151 13180 1 18 . 1 1 9 9 GLY N N 9 115.000 115.000 118.675 -3.675 19151 13181 1 18 . 1 1 9 9 GLY C C 9 173.150 173.150 172.908 0.242 19151 13182 1 18 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.705 0.295 19151 13183 1 18 . 1 1 9 9 GLY H H 9 9.393 9.393 9.039 0.354 19151 13184 1 18 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.527 0.168 19151 13185 1 18 . 1 1 12 12 TYR C C 12 176.560 176.560 174.854 1.706 19151 13186 1 18 . 1 1 12 12 TYR CA C 12 57.750 57.750 57.958 -0.208 19151 13187 1 18 . 1 1 12 12 TYR CB C 12 38.000 38.000 40.382 -2.382 19151 13188 1 18 . 1 1 13 13 GLY N N 13 109.870 109.870 112.818 -2.948 19151 13189 1 18 . 1 1 13 13 GLY C C 13 175.930 175.930 174.219 1.711 19151 13190 1 18 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.246 1.754 19151 13191 1 18 . 1 1 13 13 GLY H H 13 8.500 8.500 7.464 1.036 19151 13192 1 18 . 1 1 17 17 LEU HA H 17 4.230 4.230 3.948 0.282 19151 13193 1 18 . 1 1 17 17 LEU C C 17 179.210 179.210 178.549 0.661 19151 13194 1 18 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.835 0.565 19151 13195 1 18 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.488 -0.188 19151 13196 1 18 . 1 1 18 18 VAL N N 18 117.231 117.231 117.930 -0.699 19151 13197 1 18 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.547 -0.224 19151 13198 1 18 . 1 1 18 18 VAL C C 18 178.460 178.460 177.968 0.492 19151 13199 1 18 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.307 0.559 19151 13200 1 18 . 1 1 18 18 VAL CB C 18 31.460 31.460 31.342 0.118 19151 13201 1 18 . 1 1 18 18 VAL H H 18 7.645 7.645 7.657 -0.012 19151 13202 1 18 . 1 1 19 19 ALA N N 19 121.820 121.820 122.427 -0.607 19151 13203 1 18 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.909 -0.093 19151 13204 1 18 . 1 1 19 19 ALA C C 19 178.180 178.180 179.199 -1.019 19151 13205 1 18 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.637 -0.061 19151 13206 1 18 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.101 1.899 19151 13207 1 18 . 1 1 19 19 ALA H H 19 8.010 8.010 8.079 -0.069 19151 13208 1 18 . 1 1 20 20 GLU N N 20 118.960 118.960 118.511 0.449 19151 13209 1 18 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.002 0.014 19151 13210 1 18 . 1 1 20 20 GLU C C 20 180.950 180.950 179.392 1.558 19151 13211 1 18 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.079 0.587 19151 13212 1 18 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.301 -0.001 19151 13213 1 18 . 1 1 20 20 GLU H H 20 8.700 8.700 7.886 0.814 19151 13214 1 18 . 1 1 21 21 GLU N N 21 121.371 121.371 119.554 1.817 19151 13215 1 18 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.068 -0.024 19151 13216 1 18 . 1 1 21 21 GLU C C 21 179.419 179.419 178.864 0.555 19151 13217 1 18 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.173 0.137 19151 13218 1 18 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.339 0.222 19151 13219 1 18 . 1 1 21 21 GLU H H 21 8.632 8.632 7.988 0.644 19151 13220 1 18 . 1 1 22 22 ALA N N 22 121.329 121.329 122.819 -1.490 19151 13221 1 18 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.070 -0.012 19151 13222 1 18 . 1 1 22 22 ALA C C 22 178.823 178.823 179.406 -0.583 19151 13223 1 18 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.627 -0.950 19151 13224 1 18 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.105 -0.462 19151 13225 1 18 . 1 1 22 22 ALA H H 22 8.182 8.182 8.543 -0.361 19151 13226 1 18 . 1 1 23 23 GLU N N 23 119.035 119.035 119.526 -0.491 19151 13227 1 18 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.011 -0.607 19151 13228 1 18 . 1 1 23 23 GLU C C 23 178.375 178.375 178.322 0.053 19151 13229 1 18 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.865 0.443 19151 13230 1 18 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.560 -0.630 19151 13231 1 18 . 1 1 23 23 GLU H H 23 8.387 8.387 8.423 -0.036 19151 13232 1 18 . 1 1 24 24 ALA N N 24 122.207 122.207 121.858 0.349 19151 13233 1 18 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.102 -0.072 19151 13234 1 18 . 1 1 24 24 ALA C C 24 181.132 181.132 180.024 1.108 19151 13235 1 18 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.064 0.423 19151 13236 1 18 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.562 -0.562 19151 13237 1 18 . 1 1 24 24 ALA H H 24 7.535 7.535 7.666 -0.131 19151 13238 1 18 . 1 1 25 25 ILE N N 25 121.059 121.059 120.149 0.910 19151 13239 1 18 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.711 -0.047 19151 13240 1 18 . 1 1 25 25 ILE C C 25 178.419 178.419 177.923 0.496 19151 13241 1 18 . 1 1 25 25 ILE CA C 25 65.108 65.108 65.957 -0.849 19151 13242 1 18 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.132 0.831 19151 13243 1 18 . 1 1 25 25 ILE H H 25 7.800 7.800 8.484 -0.684 19151 13244 1 18 . 1 1 26 26 LEU N N 26 119.307 119.307 120.801 -1.494 19151 13245 1 18 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.114 0.062 19151 13246 1 18 . 1 1 26 26 LEU C C 26 179.863 179.863 179.679 0.184 19151 13247 1 18 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.525 -0.579 19151 13248 1 18 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.316 -0.176 19151 13249 1 18 . 1 1 26 26 LEU H H 26 8.509 8.509 8.559 -0.050 19151 13250 1 18 . 1 1 27 27 THR N N 27 117.830 117.830 115.550 2.280 19151 13251 1 18 . 1 1 27 27 THR HA H 27 4.524 4.524 4.262 0.262 19151 13252 1 18 . 1 1 27 27 THR C C 27 179.027 179.027 176.307 2.720 19151 13253 1 18 . 1 1 27 27 THR CA C 27 66.000 66.000 66.434 -0.434 19151 13254 1 18 . 1 1 27 27 THR CB C 27 68.600 68.600 68.888 -0.288 19151 13255 1 18 . 1 1 27 27 THR H H 27 8.796 8.796 8.496 0.300 19151 13256 1 18 . 1 1 28 28 ALA N N 28 126.313 126.313 122.099 4.214 19151 13257 1 18 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.145 0.060 19151 13258 1 18 . 1 1 28 28 ALA C C 28 179.360 179.360 179.509 -0.149 19151 13259 1 18 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.163 0.837 19151 13260 1 18 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.282 -0.632 19151 13261 1 18 . 1 1 28 28 ALA H H 28 7.832 7.832 7.785 0.047 19151 13262 1 18 . 1 1 29 29 GLN N N 29 115.527 115.527 116.506 -0.979 19151 13263 1 18 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.139 -0.012 19151 13264 1 18 . 1 1 29 29 GLN C C 29 176.547 176.547 176.914 -0.367 19151 13265 1 18 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.777 -0.214 19151 13266 1 18 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.591 -0.181 19151 13267 1 18 . 1 1 29 29 GLN H H 29 7.353 7.353 8.281 -0.928 19151 13268 1 18 . 1 1 30 30 GLY N N 30 105.961 105.961 105.880 0.081 19151 13269 1 18 . 1 1 30 30 GLY C C 30 174.785 174.785 173.776 1.009 19151 13270 1 18 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.519 -0.019 19151 13271 1 18 . 1 1 30 30 GLY H H 30 7.923 7.923 7.567 0.356 19151 13272 1 18 . 1 1 31 31 HIS N N 31 119.471 119.471 118.116 1.355 19151 13273 1 18 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.857 -0.022 19151 13274 1 18 . 1 1 31 31 HIS C C 31 174.665 174.665 173.917 0.748 19151 13275 1 18 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.546 1.296 19151 13276 1 18 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.471 0.529 19151 13277 1 18 . 1 1 31 31 HIS H H 31 7.558 7.558 7.867 -0.309 19151 13278 1 18 . 1 1 32 32 LYS N N 32 121.854 121.854 121.606 0.248 19151 13279 1 18 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.620 0.103 19151 13280 1 18 . 1 1 32 32 LYS C C 32 174.466 174.466 174.515 -0.049 19151 13281 1 18 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.943 -0.078 19151 13282 1 18 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.555 0.405 19151 13283 1 18 . 1 1 32 32 LYS H H 32 8.665 8.665 8.712 -0.047 19151 13284 1 18 . 1 1 33 33 ALA N N 33 130.188 130.188 130.523 -0.335 19151 13285 1 18 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.744 0.074 19151 13286 1 18 . 1 1 33 33 ALA C C 33 175.567 175.567 176.109 -0.542 19151 13287 1 18 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.079 -0.103 19151 13288 1 18 . 1 1 33 33 ALA CB C 33 22.297 22.297 22.229 0.068 19151 13289 1 18 . 1 1 33 33 ALA H H 33 8.837 8.837 8.182 0.655 19151 13290 1 18 . 1 1 34 34 THR N N 34 117.164 117.164 116.546 0.618 19151 13291 1 18 . 1 1 34 34 THR HA H 34 4.359 4.359 4.610 -0.251 19151 13292 1 18 . 1 1 34 34 THR C C 34 171.315 171.315 172.687 -1.372 19151 13293 1 18 . 1 1 34 34 THR CA C 34 61.840 61.840 61.497 0.343 19151 13294 1 18 . 1 1 34 34 THR CB C 34 71.800 71.800 72.572 -0.772 19151 13295 1 18 . 1 1 34 34 THR H H 34 7.826 7.826 8.894 -1.068 19151 13296 1 18 . 1 1 35 35 VAL N N 35 126.650 126.650 123.100 3.550 19151 13297 1 18 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.428 -0.245 19151 13298 1 18 . 1 1 35 35 VAL C C 35 174.675 174.675 175.125 -0.450 19151 13299 1 18 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.775 0.153 19151 13300 1 18 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.899 -0.249 19151 13301 1 18 . 1 1 35 35 VAL H H 35 8.496 8.496 8.422 0.074 19151 13302 1 18 . 1 1 36 36 PHE N N 36 127.630 127.630 126.757 0.873 19151 13303 1 18 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.709 -0.158 19151 13304 1 18 . 1 1 36 36 PHE C C 36 174.347 174.347 174.363 -0.016 19151 13305 1 18 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.481 1.001 19151 13306 1 18 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.480 -0.315 19151 13307 1 18 . 1 1 36 36 PHE H H 36 9.164 9.164 9.130 0.034 19151 13308 1 18 . 1 1 37 37 GLU N N 37 123.516 123.516 124.195 -0.679 19151 13309 1 18 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.470 0.000 19151 13310 1 18 . 1 1 37 37 GLU C C 37 175.954 175.954 176.070 -0.116 19151 13311 1 18 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.065 -0.345 19151 13312 1 18 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.783 0.677 19151 13313 1 18 . 1 1 37 37 GLU H H 37 8.455 8.455 8.732 -0.277 19151 13314 1 18 . 1 1 38 38 ASP N N 38 120.395 120.395 121.443 -1.048 19151 13315 1 18 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.448 0.385 19151 13316 1 18 . 1 1 38 38 ASP C C 38 173.920 173.920 174.768 -0.848 19151 13317 1 18 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.738 -0.261 19151 13318 1 18 . 1 1 38 38 ASP CB C 38 40.604 40.604 39.522 1.082 19151 13319 1 18 . 1 1 38 38 ASP H H 38 9.602 9.602 8.773 0.829 19151 13320 1 18 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.509 0.171 19151 13321 1 18 . 1 1 39 39 PRO C C 39 176.274 176.274 176.502 -0.228 19151 13322 1 18 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.359 -0.375 19151 13323 1 18 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.142 1.258 19151 13324 1 18 . 1 1 40 40 GLU N N 40 119.026 119.026 120.980 -1.954 19151 13325 1 18 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.543 0.185 19151 13326 1 18 . 1 1 40 40 GLU C C 40 177.827 177.827 177.719 0.108 19151 13327 1 18 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.202 -1.232 19151 13328 1 18 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.221 2.179 19151 13329 1 18 . 1 1 40 40 GLU H H 40 9.178 9.178 8.292 0.886 19151 13330 1 18 . 1 1 41 41 LEU N N 41 123.708 123.708 124.477 -0.769 19151 13331 1 18 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.229 -0.335 19151 13332 1 18 . 1 1 41 41 LEU C C 41 178.730 178.730 178.212 0.518 19151 13333 1 18 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.663 0.744 19151 13334 1 18 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.826 -0.173 19151 13335 1 18 . 1 1 41 41 LEU H H 41 9.160 9.160 8.828 0.332 19151 13336 1 18 . 1 1 42 42 SER N N 42 110.500 110.500 114.592 -4.092 19151 13337 1 18 . 1 1 42 42 SER HA H 42 4.010 4.010 4.292 -0.282 19151 13338 1 18 . 1 1 42 42 SER C C 42 176.300 176.300 175.053 1.247 19151 13339 1 18 . 1 1 42 42 SER CA C 42 61.600 61.600 60.820 0.780 19151 13340 1 18 . 1 1 42 42 SER CB C 42 62.140 62.140 62.816 -0.676 19151 13341 1 18 . 1 1 42 42 SER H H 42 8.415 8.415 8.590 -0.175 19151 13342 1 18 . 1 1 43 43 ASP N N 43 119.770 119.770 121.090 -1.320 19151 13343 1 18 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.638 -0.181 19151 13344 1 18 . 1 1 43 43 ASP C C 43 176.150 176.150 176.508 -0.358 19151 13345 1 18 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.733 1.017 19151 13346 1 18 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.842 1.858 19151 13347 1 18 . 1 1 43 43 ASP H H 43 7.690 7.690 7.963 -0.273 19151 13348 1 18 . 1 1 44 44 TRP N N 44 118.500 118.500 121.146 -2.646 19151 13349 1 18 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.527 -0.317 19151 13350 1 18 . 1 1 44 44 TRP C C 44 177.150 177.150 177.655 -0.505 19151 13351 1 18 . 1 1 44 44 TRP CA C 44 59.387 59.387 59.016 0.371 19151 13352 1 18 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.560 -0.250 19151 13353 1 18 . 1 1 44 44 TRP H H 44 7.464 7.464 7.520 -0.056 19151 13354 1 18 . 1 1 45 45 LEU N N 45 114.100 114.100 121.167 -7.067 19151 13355 1 18 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.096 0.079 19151 13356 1 18 . 1 1 45 45 LEU C C 45 176.300 176.300 175.799 0.501 19151 13357 1 18 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.205 -0.645 19151 13358 1 18 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.254 -0.034 19151 13359 1 18 . 1 1 45 45 LEU H H 45 7.550 7.550 8.541 -0.991 19151 13360 1 18 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.056 0.324 19151 13361 1 18 . 1 1 46 46 PRO C C 46 176.799 176.799 177.525 -0.726 19151 13362 1 18 . 1 1 46 46 PRO CA C 46 65.287 65.287 65.233 0.054 19151 13363 1 18 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.068 0.532 19151 13364 1 18 . 1 1 47 47 TYR N N 47 113.790 113.790 113.973 -0.183 19151 13365 1 18 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.598 -0.478 19151 13366 1 18 . 1 1 47 47 TYR C C 47 175.730 175.730 177.617 -1.887 19151 13367 1 18 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.219 1.981 19151 13368 1 18 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.464 0.552 19151 13369 1 18 . 1 1 47 47 TYR H H 47 8.291 8.291 8.093 0.198 19151 13370 1 18 . 1 1 48 48 GLN N N 48 116.524 116.524 120.229 -3.705 19151 13371 1 18 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.984 -0.099 19151 13372 1 18 . 1 1 48 48 GLN C C 48 174.381 174.381 175.820 -1.439 19151 13373 1 18 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.448 0.378 19151 13374 1 18 . 1 1 48 48 GLN CB C 48 31.000 31.000 29.117 1.883 19151 13375 1 18 . 1 1 48 48 GLN H H 48 7.300 7.300 7.502 -0.202 19151 13376 1 18 . 1 1 49 49 ASP N N 49 114.657 114.657 111.359 3.298 19151 13377 1 18 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.756 -0.069 19151 13378 1 18 . 1 1 49 49 ASP C C 49 176.307 176.307 175.568 0.739 19151 13379 1 18 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.271 -1.536 19151 13380 1 18 . 1 1 49 49 ASP CB C 49 40.200 40.200 40.436 -0.236 19151 13381 1 18 . 1 1 49 49 ASP H H 49 7.854 7.854 8.283 -0.429 19151 13382 1 18 . 1 1 50 50 LYS N N 50 123.514 123.514 118.924 4.590 19151 13383 1 18 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.403 0.187 19151 13384 1 18 . 1 1 50 50 LYS C C 50 172.964 172.964 174.583 -1.619 19151 13385 1 18 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.220 -0.527 19151 13386 1 18 . 1 1 50 50 LYS CB C 50 33.500 33.500 36.118 -2.618 19151 13387 1 18 . 1 1 50 50 LYS H H 50 7.833 7.833 7.620 0.213 19151 13388 1 18 . 1 1 51 51 TYR N N 51 118.375 118.375 115.204 3.171 19151 13389 1 18 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.831 0.224 19151 13390 1 18 . 1 1 51 51 TYR C C 51 175.875 175.875 175.835 0.040 19151 13391 1 18 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.334 1.087 19151 13392 1 18 . 1 1 51 51 TYR CB C 51 42.477 42.477 41.399 1.078 19151 13393 1 18 . 1 1 51 51 TYR H H 51 7.745 7.745 7.996 -0.251 19151 13394 1 18 . 1 1 52 52 VAL N N 52 112.527 112.527 114.502 -1.975 19151 13395 1 18 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.984 0.516 19151 13396 1 18 . 1 1 52 52 VAL C C 52 173.910 173.910 174.090 -0.180 19151 13397 1 18 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.410 -1.714 19151 13398 1 18 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.514 0.978 19151 13399 1 18 . 1 1 52 52 VAL H H 52 8.673 8.673 8.425 0.248 19151 13400 1 18 . 1 1 53 53 LEU N N 53 124.294 124.294 123.159 1.135 19151 13401 1 18 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.102 -0.202 19151 13402 1 18 . 1 1 53 53 LEU C C 53 175.070 175.070 174.455 0.615 19151 13403 1 18 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.926 -1.360 19151 13404 1 18 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.076 -0.846 19151 13405 1 18 . 1 1 53 53 LEU H H 53 9.137 9.137 9.140 -0.003 19151 13406 1 18 . 1 1 54 54 VAL N N 54 127.850 127.850 127.226 0.624 19151 13407 1 18 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.672 -0.162 19151 13408 1 18 . 1 1 54 54 VAL C C 54 174.030 174.030 174.450 -0.420 19151 13409 1 18 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.596 0.229 19151 13410 1 18 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.449 -0.758 19151 13411 1 18 . 1 1 54 54 VAL H H 54 8.619 8.619 8.942 -0.323 19151 13412 1 18 . 1 1 55 55 VAL N N 55 127.181 127.181 127.947 -0.766 19151 13413 1 18 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.819 0.266 19151 13414 1 18 . 1 1 55 55 VAL C C 55 174.942 174.942 174.454 0.488 19151 13415 1 18 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.830 -0.761 19151 13416 1 18 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.495 -0.273 19151 13417 1 18 . 1 1 55 55 VAL H H 55 8.578 8.578 8.860 -0.282 19151 13418 1 18 . 1 1 56 56 THR N N 56 117.420 117.420 121.502 -4.082 19151 13419 1 18 . 1 1 56 56 THR HA H 56 5.590 5.590 5.062 0.528 19151 13420 1 18 . 1 1 56 56 THR C C 56 172.640 172.640 173.480 -0.840 19151 13421 1 18 . 1 1 56 56 THR CA C 56 59.359 59.359 59.648 -0.289 19151 13422 1 18 . 1 1 56 56 THR CB C 56 70.715 70.715 70.193 0.522 19151 13423 1 18 . 1 1 56 56 THR H H 56 8.710 8.710 9.030 -0.320 19151 13424 1 18 . 1 1 57 57 SER HA H 57 5.250 5.250 5.037 0.213 19151 13425 1 18 . 1 1 57 57 SER CA C 57 57.730 57.730 58.375 -0.645 19151 13426 1 18 . 1 1 57 57 SER CB C 57 64.500 64.500 64.564 -0.063 19151 13427 1 18 . 1 1 57 57 SER H H 57 8.075 8.075 8.862 -0.787 19151 13428 1 18 . 1 1 58 58 THR H H 58 7.900 7.900 7.673 0.227 19151 13429 1 18 . 1 1 59 59 THR HA H 59 4.900 4.900 4.172 0.728 19151 13430 1 18 . 1 1 59 59 THR CA C 59 61.200 61.200 66.437 -5.237 19151 13431 1 18 . 1 1 59 59 THR CB C 59 73.400 73.400 69.066 4.334 19151 13432 1 18 . 1 1 59 59 THR H H 59 9.230 9.230 7.443 1.787 19151 13433 1 18 . 1 1 60 60 GLY CA C 60 46.500 46.500 46.151 0.349 19151 13434 1 18 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.114 0.292 19151 13435 1 18 . 1 1 61 61 GLN C C 61 175.950 175.950 176.474 -0.524 19151 13436 1 18 . 1 1 61 61 GLN CA C 61 55.350 55.350 56.300 -0.950 19151 13437 1 18 . 1 1 61 61 GLN CB C 61 29.160 29.160 29.272 -0.112 19151 13438 1 18 . 1 1 62 62 GLY N N 62 108.420 108.420 106.655 1.765 19151 13439 1 18 . 1 1 62 62 GLY C C 62 173.134 173.134 173.156 -0.022 19151 13440 1 18 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.820 0.964 19151 13441 1 18 . 1 1 62 62 GLY H H 62 8.073 8.073 7.886 0.187 19151 13442 1 18 . 1 1 63 63 ASP N N 63 118.400 118.400 120.078 -1.678 19151 13443 1 18 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.926 -0.146 19151 13444 1 18 . 1 1 63 63 ASP CA C 63 53.296 53.296 53.256 0.040 19151 13445 1 18 . 1 1 63 63 ASP CB C 63 42.740 42.740 44.944 -2.204 19151 13446 1 18 . 1 1 63 63 ASP H H 63 7.248 7.248 8.448 -1.200 19151 13447 1 18 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.321 0.079 19151 13448 1 18 . 1 1 64 64 LEU CA C 64 53.150 53.150 52.743 0.407 19151 13449 1 18 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.125 -0.438 19151 13450 1 18 . 1 1 64 64 LEU H H 64 8.445 8.445 8.264 0.181 19151 13451 1 18 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.331 -0.038 19151 13452 1 18 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.728 -0.384 19151 13453 1 18 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.378 0.102 19151 13454 1 18 . 1 1 66 66 ASP N N 66 121.200 121.200 124.598 -3.398 19151 13455 1 18 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.365 -0.105 19151 13456 1 18 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.349 1.281 19151 13457 1 18 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.934 -0.134 19151 13458 1 18 . 1 1 66 66 ASP H H 66 8.605 8.605 8.196 0.409 19151 13459 1 18 . 1 1 67 67 SER HA H 67 4.292 4.292 4.274 0.018 19151 13460 1 18 . 1 1 67 67 SER C C 67 175.650 175.650 174.993 0.657 19151 13461 1 18 . 1 1 67 67 SER CA C 67 60.500 60.500 60.625 -0.125 19151 13462 1 18 . 1 1 67 67 SER CB C 67 63.530 63.530 63.784 -0.254 19151 13463 1 18 . 1 1 68 68 ILE N N 68 120.550 120.550 120.701 -0.151 19151 13464 1 18 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.464 0.646 19151 13465 1 18 . 1 1 68 68 ILE C C 68 174.713 174.713 176.338 -1.625 19151 13466 1 18 . 1 1 68 68 ILE CA C 68 60.400 60.400 61.170 -0.770 19151 13467 1 18 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.472 3.768 19151 13468 1 18 . 1 1 68 68 ILE H H 68 7.870 7.870 7.733 0.137 19151 13469 1 18 . 1 1 69 69 VAL N N 69 125.740 125.740 123.749 1.991 19151 13470 1 18 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.779 -0.034 19151 13471 1 18 . 1 1 69 69 VAL C C 69 174.500 174.500 174.771 -0.271 19151 13472 1 18 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.581 -1.031 19151 13473 1 18 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.230 0.900 19151 13474 1 18 . 1 1 69 69 VAL H H 69 7.428 7.428 8.630 -1.202 19151 13475 1 18 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.329 -0.037 19151 13476 1 18 . 1 1 70 70 PRO C C 70 180.820 180.820 178.769 2.051 19151 13477 1 18 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.204 0.266 19151 13478 1 18 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.225 -0.568 19151 13479 1 18 . 1 1 71 71 LEU N N 71 119.467 119.467 120.033 -0.566 19151 13480 1 18 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.023 -0.178 19151 13481 1 18 . 1 1 71 71 LEU C C 71 176.489 176.489 178.379 -1.890 19151 13482 1 18 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.878 0.329 19151 13483 1 18 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.826 -0.340 19151 13484 1 18 . 1 1 71 71 LEU H H 71 7.918 7.918 7.589 0.329 19151 13485 1 18 . 1 1 72 72 PHE N N 72 119.361 119.361 119.425 -0.064 19151 13486 1 18 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.276 -0.131 19151 13487 1 18 . 1 1 72 72 PHE C C 72 175.968 175.968 177.103 -1.135 19151 13488 1 18 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.711 0.110 19151 13489 1 18 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.614 0.933 19151 13490 1 18 . 1 1 72 72 PHE H H 72 7.903 7.903 8.730 -0.827 19151 13491 1 18 . 1 1 73 73 GLN N N 73 116.100 116.100 117.221 -1.121 19151 13492 1 18 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.725 -0.198 19151 13493 1 18 . 1 1 73 73 GLN C C 73 177.871 177.871 178.711 -0.840 19151 13494 1 18 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.824 -0.684 19151 13495 1 18 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.118 0.029 19151 13496 1 18 . 1 1 73 73 GLN H H 73 9.042 9.042 8.580 0.462 19151 13497 1 18 . 1 1 74 74 GLY N N 74 107.110 107.110 108.266 -1.156 19151 13498 1 18 . 1 1 74 74 GLY C C 74 175.894 175.894 176.434 -0.540 19151 13499 1 18 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.788 0.491 19151 13500 1 18 . 1 1 74 74 GLY H H 74 8.045 8.045 8.100 -0.055 19151 13501 1 18 . 1 1 75 75 ILE N N 75 123.629 123.629 122.918 0.711 19151 13502 1 18 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.357 -0.307 19151 13503 1 18 . 1 1 75 75 ILE C C 75 178.622 178.622 177.084 1.538 19151 13504 1 18 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.860 0.397 19151 13505 1 18 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.421 0.547 19151 13506 1 18 . 1 1 75 75 ILE H H 75 8.174 8.174 8.143 0.031 19151 13507 1 18 . 1 1 76 76 LYS N N 76 119.363 119.363 118.332 1.031 19151 13508 1 18 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.789 -0.484 19151 13509 1 18 . 1 1 76 76 LYS C C 76 177.909 177.909 178.196 -0.287 19151 13510 1 18 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.228 0.477 19151 13511 1 18 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.959 0.391 19151 13512 1 18 . 1 1 76 76 LYS H H 76 7.600 7.600 7.535 0.065 19151 13513 1 18 . 1 1 77 77 ASP N N 77 115.190 115.190 117.882 -2.692 19151 13514 1 18 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.643 -0.161 19151 13515 1 18 . 1 1 77 77 ASP C C 77 178.825 178.825 178.062 0.763 19151 13516 1 18 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.789 0.491 19151 13517 1 18 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.907 -0.717 19151 13518 1 18 . 1 1 77 77 ASP H H 77 8.482 8.482 8.247 0.235 19151 13519 1 18 . 1 1 78 78 SER N N 78 112.576 112.576 115.972 -3.396 19151 13520 1 18 . 1 1 78 78 SER HA H 78 4.728 4.728 4.415 0.313 19151 13521 1 18 . 1 1 78 78 SER C C 78 174.556 174.556 174.709 -0.153 19151 13522 1 18 . 1 1 78 78 SER CA C 78 60.045 60.045 60.375 -0.330 19151 13523 1 18 . 1 1 78 78 SER CB C 78 64.643 64.643 64.053 0.590 19151 13524 1 18 . 1 1 78 78 SER H H 78 8.273 8.273 8.018 0.255 19151 13525 1 18 . 1 1 79 79 LEU N N 79 120.833 120.833 121.240 -0.407 19151 13526 1 18 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.405 0.410 19151 13527 1 18 . 1 1 79 79 LEU C C 79 176.251 176.251 178.774 -2.523 19151 13528 1 18 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.135 -2.175 19151 13529 1 18 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.288 -3.092 19151 13530 1 18 . 1 1 79 79 LEU H H 79 7.025 7.025 7.422 -0.397 19151 13531 1 18 . 1 1 80 80 GLY N N 80 108.861 108.861 107.038 1.823 19151 13532 1 18 . 1 1 80 80 GLY C C 80 173.623 173.623 173.634 -0.011 19151 13533 1 18 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.475 -0.246 19151 13534 1 18 . 1 1 80 80 GLY H H 80 7.499 7.499 8.159 -0.660 19151 13535 1 18 . 1 1 81 81 PHE N N 81 121.441 121.441 119.283 2.158 19151 13536 1 18 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.776 0.284 19151 13537 1 18 . 1 1 81 81 PHE C C 81 174.411 174.411 172.495 1.916 19151 13538 1 18 . 1 1 81 81 PHE CA C 81 57.211 57.211 56.992 0.219 19151 13539 1 18 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.432 -0.812 19151 13540 1 18 . 1 1 81 81 PHE H H 81 8.018 8.018 7.437 0.581 19151 13541 1 18 . 1 1 82 82 GLN N N 82 126.480 126.480 121.945 4.535 19151 13542 1 18 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.550 0.340 19151 13543 1 18 . 1 1 82 82 GLN C C 82 172.700 172.700 173.243 -0.543 19151 13544 1 18 . 1 1 82 82 GLN CA C 82 54.177 54.177 51.886 2.291 19151 13545 1 18 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.991 1.609 19151 13546 1 18 . 1 1 82 82 GLN H H 82 9.588 9.588 7.320 2.268 19151 13547 1 18 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.387 -0.014 19151 13548 1 18 . 1 1 83 83 PRO C C 83 178.163 178.163 176.718 1.445 19151 13549 1 18 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.047 -0.356 19151 13550 1 18 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.845 -0.980 19151 13551 1 18 . 1 1 84 84 ASN N N 84 116.900 116.900 114.166 2.734 19151 13552 1 18 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.901 -0.132 19151 13553 1 18 . 1 1 84 84 ASN C C 84 173.332 173.332 173.686 -0.354 19151 13554 1 18 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.687 -0.127 19151 13555 1 18 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.859 -1.599 19151 13556 1 18 . 1 1 84 84 ASN H H 84 8.578 8.578 7.972 0.606 19151 13557 1 18 . 1 1 85 85 LEU N N 85 124.380 124.380 123.055 1.325 19151 13558 1 18 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.477 -0.431 19151 13559 1 18 . 1 1 85 85 LEU C C 85 175.880 175.880 175.532 0.348 19151 13560 1 18 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.701 1.141 19151 13561 1 18 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.419 -1.119 19151 13562 1 18 . 1 1 85 85 LEU H H 85 7.240 7.240 7.661 -0.421 19151 13563 1 18 . 1 1 86 86 ARG N N 86 128.715 128.715 123.954 4.761 19151 13564 1 18 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.220 0.574 19151 13565 1 18 . 1 1 86 86 ARG C C 86 175.554 175.554 174.718 0.836 19151 13566 1 18 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.261 0.181 19151 13567 1 18 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.221 -1.348 19151 13568 1 18 . 1 1 86 86 ARG H H 86 7.732 7.732 8.229 -0.497 19151 13569 1 18 . 1 1 87 87 TYR N N 87 117.420 117.420 119.148 -1.728 19151 13570 1 18 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.585 1.180 19151 13571 1 18 . 1 1 87 87 TYR C C 87 172.931 172.931 173.190 -0.259 19151 13572 1 18 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.517 -1.256 19151 13573 1 18 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.504 3.434 19151 13574 1 18 . 1 1 87 87 TYR H H 87 8.783 8.783 8.197 0.586 19151 13575 1 18 . 1 1 88 88 GLY N N 88 107.765 107.765 105.709 2.056 19151 13576 1 18 . 1 1 88 88 GLY C C 88 172.621 172.621 171.334 1.287 19151 13577 1 18 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.658 1.203 19151 13578 1 18 . 1 1 88 88 GLY H H 88 8.905 8.905 8.518 0.387 19151 13579 1 18 . 1 1 89 89 VAL N N 89 118.180 118.180 118.355 -0.175 19151 13580 1 18 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.681 0.320 19151 13581 1 18 . 1 1 89 89 VAL C C 89 172.939 172.939 173.728 -0.789 19151 13582 1 18 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.669 0.330 19151 13583 1 18 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.298 1.100 19151 13584 1 18 . 1 1 89 89 VAL H H 89 7.499 7.499 8.190 -0.691 19151 13585 1 18 . 1 1 90 90 ILE N N 90 125.000 125.000 125.753 -0.753 19151 13586 1 18 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.147 -0.020 19151 13587 1 18 . 1 1 90 90 ILE C C 90 173.099 173.099 173.559 -0.460 19151 13588 1 18 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.903 0.585 19151 13589 1 18 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.471 -0.073 19151 13590 1 18 . 1 1 90 90 ILE H H 90 8.810 8.810 8.930 -0.120 19151 13591 1 18 . 1 1 91 91 ALA N N 91 129.036 129.036 129.862 -0.826 19151 13592 1 18 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.314 0.012 19151 13593 1 18 . 1 1 91 91 ALA C C 91 174.000 174.000 175.658 -1.658 19151 13594 1 18 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.681 -0.680 19151 13595 1 18 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.079 1.021 19151 13596 1 18 . 1 1 91 91 ALA H H 91 9.253 9.253 8.972 0.281 19151 13597 1 18 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.166 -0.235 19151 13598 1 18 . 1 1 92 92 LEU C C 92 177.366 177.366 176.185 1.181 19151 13599 1 18 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.173 0.744 19151 13600 1 18 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.053 -2.652 19151 13601 1 18 . 1 1 93 93 GLY N N 93 110.663 110.663 108.109 2.554 19151 13602 1 18 . 1 1 93 93 GLY C C 93 172.029 172.029 172.361 -0.332 19151 13603 1 18 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.440 0.290 19151 13604 1 18 . 1 1 93 93 GLY H H 93 8.687 8.687 8.893 -0.206 19151 13605 1 18 . 1 1 94 94 ASP N N 94 119.304 119.304 119.559 -0.255 19151 13606 1 18 . 1 1 94 94 ASP HA H 94 5.260 5.260 4.831 0.429 19151 13607 1 18 . 1 1 94 94 ASP C C 94 176.978 176.978 177.435 -0.457 19151 13608 1 18 . 1 1 94 94 ASP CA C 94 53.607 53.607 53.667 -0.060 19151 13609 1 18 . 1 1 94 94 ASP CB C 94 43.000 43.000 39.835 3.165 19151 13610 1 18 . 1 1 94 94 ASP H H 94 8.129 8.129 8.596 -0.467 19151 13611 1 18 . 1 1 95 95 SER N N 95 123.897 123.897 118.723 5.174 19151 13612 1 18 . 1 1 95 95 SER HA H 95 3.895 3.895 4.307 -0.412 19151 13613 1 18 . 1 1 95 95 SER C C 95 175.243 175.243 175.494 -0.251 19151 13614 1 18 . 1 1 95 95 SER CA C 95 60.183 60.183 59.498 0.685 19151 13615 1 18 . 1 1 95 95 SER CB C 95 61.700 61.700 62.665 -0.965 19151 13616 1 18 . 1 1 95 95 SER H H 95 8.878 8.878 8.566 0.312 19151 13617 1 18 . 1 1 96 96 SER N N 96 119.248 119.248 116.179 3.069 19151 13618 1 18 . 1 1 96 96 SER HA H 96 4.209 4.209 4.170 0.039 19151 13619 1 18 . 1 1 96 96 SER C C 96 173.900 173.900 174.714 -0.814 19151 13620 1 18 . 1 1 96 96 SER CA C 96 60.197 60.197 59.946 0.251 19151 13621 1 18 . 1 1 96 96 SER CB C 96 63.000 63.000 63.383 -0.383 19151 13622 1 18 . 1 1 96 96 SER H H 96 9.124 9.124 7.779 1.345 19151 13623 1 18 . 1 1 97 97 TYR N N 97 120.889 120.889 121.051 -0.162 19151 13624 1 18 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.638 0.250 19151 13625 1 18 . 1 1 97 97 TYR C C 97 175.972 175.972 175.592 0.380 19151 13626 1 18 . 1 1 97 97 TYR CA C 97 55.750 55.750 56.813 -1.063 19151 13627 1 18 . 1 1 97 97 TYR CB C 97 39.820 39.820 40.129 -0.309 19151 13628 1 18 . 1 1 97 97 TYR H H 97 7.664 7.664 7.667 -0.003 19151 13629 1 18 . 1 1 98 98 VAL N N 98 116.952 116.952 117.102 -0.150 19151 13630 1 18 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.944 0.116 19151 13631 1 18 . 1 1 98 98 VAL C C 98 175.969 175.969 176.204 -0.235 19151 13632 1 18 . 1 1 98 98 VAL CA C 98 62.840 62.840 62.754 0.086 19151 13633 1 18 . 1 1 98 98 VAL CB C 98 32.600 32.600 33.028 -0.428 19151 13634 1 18 . 1 1 98 98 VAL H H 98 7.970 7.970 8.293 -0.323 19151 13635 1 18 . 1 1 99 99 ASN N N 99 118.156 118.156 115.198 2.958 19151 13636 1 18 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.406 0.105 19151 13637 1 18 . 1 1 99 99 ASN C C 99 174.329 174.329 176.550 -2.221 19151 13638 1 18 . 1 1 99 99 ASN CA C 99 53.031 53.031 54.469 -1.438 19151 13639 1 18 . 1 1 99 99 ASN CB C 99 37.238 37.238 36.772 0.466 19151 13640 1 18 . 1 1 99 99 ASN H H 99 8.296 8.296 8.727 -0.431 19151 13641 1 18 . 1 1 100 100 PHE N N 100 118.649 118.649 119.400 -0.751 19151 13642 1 18 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.029 0.386 19151 13643 1 18 . 1 1 100 100 PHE C C 100 174.400 174.400 175.619 -1.219 19151 13644 1 18 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.308 -3.118 19151 13645 1 18 . 1 1 100 100 PHE CB C 100 39.679 39.679 38.601 1.078 19151 13646 1 18 . 1 1 100 100 PHE H H 100 7.855 7.855 8.683 -0.828 19151 13647 1 18 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.239 -0.654 19151 13648 1 18 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.419 5.321 19151 13649 1 18 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.411 -1.411 19151 13650 1 18 . 1 1 101 101 CYS H H 101 9.240 9.240 7.861 1.379 19151 13651 1 18 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.347 -0.127 19151 13652 1 18 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.304 0.896 19151 13653 1 18 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.840 -0.240 19151 13654 1 18 . 1 1 102 102 ASN H H 102 8.300 8.300 8.463 -0.163 19151 13655 1 18 . 1 1 103 103 GLY C C 103 175.690 175.690 175.806 -0.116 19151 13656 1 18 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.126 0.224 19151 13657 1 18 . 1 1 104 104 GLY N N 104 106.150 106.150 109.241 -3.091 19151 13658 1 18 . 1 1 104 104 GLY C C 104 174.570 174.570 176.134 -1.564 19151 13659 1 18 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.090 1.260 19151 13660 1 18 . 1 1 104 104 GLY H H 104 7.108 7.108 7.575 -0.467 19151 13661 1 18 . 1 1 105 105 LYS N N 105 120.732 120.732 122.620 -1.888 19151 13662 1 18 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.956 -0.019 19151 13663 1 18 . 1 1 105 105 LYS C C 105 179.706 179.706 178.991 0.715 19151 13664 1 18 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.952 0.356 19151 13665 1 18 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.202 -0.405 19151 13666 1 18 . 1 1 105 105 LYS H H 105 7.708 7.708 7.460 0.248 19151 13667 1 18 . 1 1 106 106 GLN N N 106 119.087 119.087 117.855 1.232 19151 13668 1 18 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.132 0.010 19151 13669 1 18 . 1 1 106 106 GLN C C 106 179.418 179.418 178.630 0.788 19151 13670 1 18 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.863 0.012 19151 13671 1 18 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.456 0.303 19151 13672 1 18 . 1 1 106 106 GLN H H 106 8.738 8.738 8.704 0.034 19151 13673 1 18 . 1 1 107 107 PHE N N 107 123.088 123.088 119.022 4.066 19151 13674 1 18 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.402 -0.152 19151 13675 1 18 . 1 1 107 107 PHE C C 107 178.403 178.403 177.915 0.488 19151 13676 1 18 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.751 0.434 19151 13677 1 18 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.886 0.565 19151 13678 1 18 . 1 1 107 107 PHE H H 107 7.922 7.922 7.658 0.264 19151 13679 1 18 . 1 1 108 108 ASP N N 108 117.118 117.118 120.344 -3.226 19151 13680 1 18 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.656 -0.282 19151 13681 1 18 . 1 1 108 108 ASP C C 108 176.973 176.973 178.108 -1.135 19151 13682 1 18 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.346 1.083 19151 13683 1 18 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.188 2.935 19151 13684 1 18 . 1 1 108 108 ASP H H 108 8.305 8.305 8.344 -0.039 19151 13685 1 18 . 1 1 109 109 ALA N N 109 118.590 118.590 123.148 -4.558 19151 13686 1 18 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.129 -0.079 19151 13687 1 18 . 1 1 109 109 ALA C C 109 180.430 180.430 179.755 0.675 19151 13688 1 18 . 1 1 109 109 ALA CA C 109 55.196 55.196 54.962 0.234 19151 13689 1 18 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.318 -0.211 19151 13690 1 18 . 1 1 109 109 ALA H H 109 8.332 8.332 7.896 0.436 19151 13691 1 18 . 1 1 110 110 LEU N N 110 120.402 120.402 120.438 -0.036 19151 13692 1 18 . 1 1 110 110 LEU HA H 110 4.085 4.085 4.025 0.060 19151 13693 1 18 . 1 1 110 110 LEU C C 110 177.801 177.801 179.071 -1.270 19151 13694 1 18 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.518 0.122 19151 13695 1 18 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.900 0.856 19151 13696 1 18 . 1 1 110 110 LEU H H 110 7.868 7.868 7.482 0.386 19151 13697 1 18 . 1 1 111 111 LEU N N 111 116.945 116.945 117.390 -0.445 19151 13698 1 18 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.859 -0.141 19151 13699 1 18 . 1 1 111 111 LEU C C 111 179.838 179.838 179.221 0.617 19151 13700 1 18 . 1 1 111 111 LEU CA C 111 57.965 57.965 58.274 -0.309 19151 13701 1 18 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.075 -2.215 19151 13702 1 18 . 1 1 111 111 LEU H H 111 7.704 7.704 7.291 0.413 19151 13703 1 18 . 1 1 112 112 GLN N N 112 118.484 118.484 117.034 1.450 19151 13704 1 18 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.084 0.057 19151 13705 1 18 . 1 1 112 112 GLN C C 112 181.218 181.218 178.316 2.902 19151 13706 1 18 . 1 1 112 112 GLN CA C 112 58.966 58.966 58.281 0.685 19151 13707 1 18 . 1 1 112 112 GLN CB C 112 29.260 29.260 27.781 1.479 19151 13708 1 18 . 1 1 112 112 GLN H H 112 8.441 8.441 7.975 0.466 19151 13709 1 18 . 1 1 113 113 GLU N N 113 122.905 122.905 118.417 4.488 19151 13710 1 18 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.111 0.070 19151 13711 1 18 . 1 1 113 113 GLU C C 113 178.001 178.001 177.867 0.134 19151 13712 1 18 . 1 1 113 113 GLU CA C 113 58.985 58.985 58.296 0.689 19151 13713 1 18 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.341 -0.071 19151 13714 1 18 . 1 1 113 113 GLU H H 113 8.305 8.305 8.029 0.276 19151 13715 1 18 . 1 1 114 114 GLN N N 114 117.332 117.332 117.334 -0.002 19151 13716 1 18 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.284 0.311 19151 13717 1 18 . 1 1 114 114 GLN C C 114 174.538 174.538 176.985 -2.447 19151 13718 1 18 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.722 -1.305 19151 13719 1 18 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.065 -4.235 19151 13720 1 18 . 1 1 114 114 GLN H H 114 7.520 7.520 7.521 -0.001 19151 13721 1 18 . 1 1 115 115 SER N N 115 109.100 109.100 109.291 -0.191 19151 13722 1 18 . 1 1 115 115 SER HA H 115 4.200 4.200 4.450 -0.250 19151 13723 1 18 . 1 1 115 115 SER C C 115 172.302 172.302 173.029 -0.727 19151 13724 1 18 . 1 1 115 115 SER CA C 115 60.400 60.400 58.541 1.859 19151 13725 1 18 . 1 1 115 115 SER CB C 115 61.325 61.325 64.866 -3.541 19151 13726 1 18 . 1 1 115 115 SER H H 115 7.950 7.950 8.136 -0.186 19151 13727 1 18 . 1 1 116 116 ALA N N 116 121.059 121.059 124.783 -3.724 19151 13728 1 18 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.331 0.463 19151 13729 1 18 . 1 1 116 116 ALA C C 116 176.774 176.774 176.316 0.458 19151 13730 1 18 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.094 -0.405 19151 13731 1 18 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.369 0.997 19151 13732 1 18 . 1 1 116 116 ALA H H 116 7.813 7.813 7.867 -0.054 19151 13733 1 18 . 1 1 117 117 GLN N N 117 118.000 118.000 119.297 -1.297 19151 13734 1 18 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.478 0.140 19151 13735 1 18 . 1 1 117 117 GLN C C 117 173.769 173.769 175.615 -1.846 19151 13736 1 18 . 1 1 117 117 GLN CA C 117 54.556 54.556 55.709 -1.153 19151 13737 1 18 . 1 1 117 117 GLN CB C 117 30.735 30.735 30.580 0.155 19151 13738 1 18 . 1 1 117 117 GLN H H 117 8.591 8.591 8.638 -0.047 19151 13739 1 18 . 1 1 118 118 ARG N N 118 127.947 127.947 121.401 6.546 19151 13740 1 18 . 1 1 118 118 ARG HA H 118 3.308 3.308 4.994 -1.686 19151 13741 1 18 . 1 1 118 118 ARG C C 118 176.758 176.758 175.301 1.457 19151 13742 1 18 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.863 1.323 19151 13743 1 18 . 1 1 118 118 ARG CB C 118 30.310 30.310 32.167 -1.857 19151 13744 1 18 . 1 1 118 118 ARG H H 118 8.659 8.659 8.580 0.079 19151 13745 1 18 . 1 1 119 119 VAL N N 119 131.939 131.939 125.133 6.806 19151 13746 1 18 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.356 -0.243 19151 13747 1 18 . 1 1 119 119 VAL C C 119 176.775 176.775 176.323 0.452 19151 13748 1 18 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.092 1.082 19151 13749 1 18 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.377 -0.983 19151 13750 1 18 . 1 1 119 119 VAL H H 119 9.520 9.520 8.802 0.718 19151 13751 1 18 . 1 1 120 120 GLY N N 120 116.074 116.074 116.504 -0.430 19151 13752 1 18 . 1 1 120 120 GLY C C 120 172.757 172.757 173.214 -0.457 19151 13753 1 18 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.536 -1.638 19151 13754 1 18 . 1 1 120 120 GLY H H 120 8.755 8.755 8.449 0.306 19151 13755 1 18 . 1 1 121 121 GLU N N 121 118.754 118.754 120.081 -1.327 19151 13756 1 18 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.614 0.052 19151 13757 1 18 . 1 1 121 121 GLU C C 121 177.419 177.419 176.396 1.023 19151 13758 1 18 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.485 0.006 19151 13759 1 18 . 1 1 121 121 GLU CB C 121 31.498 31.498 31.809 -0.311 19151 13760 1 18 . 1 1 121 121 GLU H H 121 8.594 8.594 8.511 0.083 19151 13761 1 18 . 1 1 122 122 MET N N 122 122.642 122.642 120.853 1.789 19151 13762 1 18 . 1 1 122 122 MET HA H 122 4.415 4.415 4.919 -0.504 19151 13763 1 18 . 1 1 122 122 MET C C 122 175.351 175.351 174.869 0.482 19151 13764 1 18 . 1 1 122 122 MET CA C 122 57.024 57.024 54.832 2.192 19151 13765 1 18 . 1 1 122 122 MET CB C 122 34.210 34.210 33.341 0.869 19151 13766 1 18 . 1 1 122 122 MET H H 122 8.892 8.892 8.579 0.313 19151 13767 1 18 . 1 1 123 123 LEU N N 123 129.535 129.535 122.283 7.252 19151 13768 1 18 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.377 -0.027 19151 13769 1 18 . 1 1 123 123 LEU C C 123 173.124 173.124 174.462 -1.338 19151 13770 1 18 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.073 0.666 19151 13771 1 18 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.509 -1.431 19151 13772 1 18 . 1 1 123 123 LEU H H 123 7.868 7.868 7.561 0.307 19151 13773 1 18 . 1 1 124 124 LEU N N 124 127.120 127.120 126.061 1.059 19151 13774 1 18 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.676 0.379 19151 13775 1 18 . 1 1 124 124 LEU C C 124 176.379 176.379 176.139 0.240 19151 13776 1 18 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.241 0.309 19151 13777 1 18 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.567 -1.189 19151 13778 1 18 . 1 1 124 124 LEU H H 124 8.346 8.346 8.252 0.094 19151 13779 1 18 . 1 1 125 125 ILE N N 125 124.337 124.337 124.931 -0.594 19151 13780 1 18 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.248 -0.068 19151 13781 1 18 . 1 1 125 125 ILE C C 125 174.303 174.303 174.850 -0.547 19151 13782 1 18 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.758 0.342 19151 13783 1 18 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.904 -0.961 19151 13784 1 18 . 1 1 125 125 ILE H H 125 8.974 8.974 8.796 0.178 19151 13785 1 18 . 1 1 126 126 ASP N N 126 127.113 127.113 127.883 -0.770 19151 13786 1 18 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.533 -0.418 19151 13787 1 18 . 1 1 126 126 ASP C C 126 176.766 176.766 176.556 0.210 19151 13788 1 18 . 1 1 126 126 ASP CA C 126 51.847 51.847 51.424 0.423 19151 13789 1 18 . 1 1 126 126 ASP CB C 126 41.100 41.100 39.672 1.428 19151 13790 1 18 . 1 1 126 126 ASP H H 126 9.397 9.397 8.822 0.575 19151 13791 1 18 . 1 1 127 127 ALA N N 127 131.178 131.178 127.706 3.472 19151 13792 1 18 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.484 -0.168 19151 13793 1 18 . 1 1 127 127 ALA C C 127 178.530 178.530 178.591 -0.061 19151 13794 1 18 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.001 -0.154 19151 13795 1 18 . 1 1 127 127 ALA CB C 127 18.792 18.792 18.978 -0.186 19151 13796 1 18 . 1 1 127 127 ALA H H 127 9.696 9.696 8.869 0.827 19151 13797 1 18 . 1 1 128 128 SER N N 128 112.064 112.064 112.903 -0.839 19151 13798 1 18 . 1 1 128 128 SER HA H 128 4.224 4.224 4.304 -0.080 19151 13799 1 18 . 1 1 128 128 SER C C 128 175.000 175.000 175.325 -0.325 19151 13800 1 18 . 1 1 128 128 SER CA C 128 61.246 61.246 60.523 0.723 19151 13801 1 18 . 1 1 128 128 SER CB C 128 63.310 63.310 63.467 -0.157 19151 13802 1 18 . 1 1 128 128 SER H H 128 8.373 8.373 8.327 0.046 19151 13803 1 18 . 1 1 129 129 GLU N N 129 119.468 119.468 118.544 0.924 19151 13804 1 18 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.432 -0.032 19151 13805 1 18 . 1 1 129 129 GLU C C 129 175.947 175.947 175.986 -0.039 19151 13806 1 18 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.806 -0.390 19151 13807 1 18 . 1 1 129 129 GLU CB C 129 31.730 31.730 32.568 -0.838 19151 13808 1 18 . 1 1 129 129 GLU H H 129 7.267 7.267 7.861 -0.594 19151 13809 1 18 . 1 1 130 130 ASN N N 130 115.968 115.968 118.517 -2.549 19151 13810 1 18 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.132 0.034 19151 13811 1 18 . 1 1 130 130 ASN C C 130 172.000 172.000 174.017 -2.017 19151 13812 1 18 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.686 -0.463 19151 13813 1 18 . 1 1 130 130 ASN CB C 130 39.666 39.666 40.053 -0.387 19151 13814 1 18 . 1 1 130 130 ASN H H 130 8.072 8.072 8.299 -0.227 19151 13815 1 18 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.591 -0.041 19151 13816 1 18 . 1 1 131 131 PRO C C 131 176.400 176.400 176.279 0.121 19151 13817 1 18 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.577 -0.077 19151 13818 1 18 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.850 0.450 19151 13819 1 18 . 1 1 132 132 GLU N N 132 119.000 119.000 119.169 -0.169 19151 13820 1 18 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.799 0.221 19151 13821 1 18 . 1 1 132 132 GLU C C 132 174.200 174.200 175.193 -0.993 19151 13822 1 18 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.245 -0.245 19151 13823 1 18 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.345 0.355 19151 13824 1 18 . 1 1 132 132 GLU H H 132 7.690 7.690 8.054 -0.364 19151 13825 1 18 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.227 -0.227 19151 13826 1 18 . 1 1 133 133 PRO C C 133 177.391 177.391 177.943 -0.552 19151 13827 1 18 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.131 0.338 19151 13828 1 18 . 1 1 133 133 PRO CB C 133 32.145 32.145 32.036 0.109 19151 13829 1 18 . 1 1 134 134 GLU N N 134 122.846 122.846 117.365 5.481 19151 13830 1 18 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.222 0.998 19151 13831 1 18 . 1 1 134 134 GLU C C 134 178.385 178.385 178.986 -0.601 19151 13832 1 18 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.191 -1.599 19151 13833 1 18 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.640 -2.050 19151 13834 1 18 . 1 1 134 134 GLU H H 134 10.707 10.707 8.817 1.890 19151 13835 1 18 . 1 1 135 135 THR N N 135 113.016 113.016 111.214 1.802 19151 13836 1 18 . 1 1 135 135 THR HA H 135 4.182 4.182 4.184 -0.002 19151 13837 1 18 . 1 1 135 135 THR C C 135 176.460 176.460 175.907 0.553 19151 13838 1 18 . 1 1 135 135 THR CA C 135 64.752 64.752 65.089 -0.337 19151 13839 1 18 . 1 1 135 135 THR CB C 135 69.248 69.248 68.873 0.375 19151 13840 1 18 . 1 1 135 135 THR H H 135 8.168 8.168 8.200 -0.032 19151 13841 1 18 . 1 1 136 136 GLU N N 136 118.978 118.978 121.432 -2.454 19151 13842 1 18 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.413 0.151 19151 13843 1 18 . 1 1 136 136 GLU C C 136 178.370 178.370 178.301 0.069 19151 13844 1 18 . 1 1 136 136 GLU CA C 136 56.913 56.913 57.962 -1.049 19151 13845 1 18 . 1 1 136 136 GLU CB C 136 32.100 32.100 29.915 2.185 19151 13846 1 18 . 1 1 136 136 GLU H H 136 7.680 7.680 7.603 0.077 19151 13847 1 18 . 1 1 137 137 SER N N 137 116.501 116.501 115.338 1.163 19151 13848 1 18 . 1 1 137 137 SER HA H 137 4.033 4.033 4.344 -0.311 19151 13849 1 18 . 1 1 137 137 SER C C 137 175.670 175.670 176.602 -0.932 19151 13850 1 18 . 1 1 137 137 SER CA C 137 62.330 62.330 61.081 1.249 19151 13851 1 18 . 1 1 137 137 SER CB C 137 61.380 61.380 63.159 -1.779 19151 13852 1 18 . 1 1 137 137 SER H H 137 8.824 8.824 8.226 0.598 19151 13853 1 18 . 1 1 138 138 ASN N N 138 123.517 123.517 120.265 3.252 19151 13854 1 18 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.747 -0.156 19151 13855 1 18 . 1 1 138 138 ASN C C 138 175.700 175.700 175.128 0.572 19151 13856 1 18 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.130 0.356 19151 13857 1 18 . 1 1 138 138 ASN CB C 138 34.253 34.253 36.075 -1.822 19151 13858 1 18 . 1 1 138 138 ASN H H 138 8.564 8.564 8.366 0.198 19151 13859 1 18 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.492 -0.037 19151 13860 1 18 . 1 1 139 139 PRO C C 139 180.033 180.033 178.702 1.331 19151 13861 1 18 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.442 0.168 19151 13862 1 18 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.486 -0.951 19151 13863 1 18 . 1 1 140 140 TRP N N 140 119.700 119.700 122.061 -2.361 19151 13864 1 18 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.469 -0.136 19151 13865 1 18 . 1 1 140 140 TRP C C 140 179.195 179.195 178.040 1.155 19151 13866 1 18 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.928 0.252 19151 13867 1 18 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.595 1.156 19151 13868 1 18 . 1 1 140 140 TRP H H 140 7.057 7.057 7.513 -0.456 19151 13869 1 18 . 1 1 141 141 VAL N N 141 122.879 122.879 118.488 4.391 19151 13870 1 18 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.729 0.007 19151 13871 1 18 . 1 1 141 141 VAL C C 141 177.416 177.416 178.680 -1.264 19151 13872 1 18 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.215 -0.498 19151 13873 1 18 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.227 0.205 19151 13874 1 18 . 1 1 141 141 VAL H H 141 9.629 9.629 8.937 0.692 19151 13875 1 18 . 1 1 142 142 GLU N N 142 119.965 119.965 120.804 -0.839 19151 13876 1 18 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.885 -0.153 19151 13877 1 18 . 1 1 142 142 GLU C C 142 178.800 178.800 178.669 0.131 19151 13878 1 18 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.900 -0.568 19151 13879 1 18 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.835 -0.275 19151 13880 1 18 . 1 1 142 142 GLU H H 142 8.551 8.551 8.136 0.414 19151 13881 1 18 . 1 1 143 143 HIS N N 143 115.364 115.364 118.661 -3.297 19151 13882 1 18 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.230 0.060 19151 13883 1 18 . 1 1 143 143 HIS C C 143 177.840 177.840 177.128 0.712 19151 13884 1 18 . 1 1 143 143 HIS CA C 143 59.363 59.363 59.986 -0.623 19151 13885 1 18 . 1 1 143 143 HIS CB C 143 29.362 29.362 29.728 -0.366 19151 13886 1 18 . 1 1 143 143 HIS H H 143 7.380 7.380 7.965 -0.585 19151 13887 1 18 . 1 1 144 144 TRP N N 144 126.680 126.680 121.805 4.875 19151 13888 1 18 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.976 -0.642 19151 13889 1 18 . 1 1 144 144 TRP C C 144 178.200 178.200 178.338 -0.138 19151 13890 1 18 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.745 2.215 19151 13891 1 18 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.281 0.244 19151 13892 1 18 . 1 1 144 144 TRP H H 144 9.215 9.215 8.662 0.553 19151 13893 1 18 . 1 1 145 145 GLY N N 145 100.130 100.130 105.495 -5.365 19151 13894 1 18 . 1 1 145 145 GLY C C 145 177.391 177.391 175.365 2.026 19151 13895 1 18 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.067 -0.307 19151 13896 1 18 . 1 1 145 145 GLY H H 145 8.834 8.834 8.518 0.316 19151 13897 1 18 . 1 1 146 146 THR N N 146 110.831 110.831 112.730 -1.899 19151 13898 1 18 . 1 1 146 146 THR HA H 146 4.319 4.319 4.103 0.216 19151 13899 1 18 . 1 1 146 146 THR C C 146 175.574 175.574 175.625 -0.051 19151 13900 1 18 . 1 1 146 146 THR CA C 146 63.260 63.260 64.267 -1.007 19151 13901 1 18 . 1 1 146 146 THR CB C 146 69.660 69.660 68.581 1.079 19151 13902 1 18 . 1 1 146 146 THR H H 146 7.594 7.594 7.434 0.160 19151 13903 1 18 . 1 1 147 147 LEU N N 147 120.678 120.678 119.722 0.956 19151 13904 1 18 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.204 -0.146 19151 13905 1 18 . 1 1 147 147 LEU C C 147 177.176 177.176 176.109 1.067 19151 13906 1 18 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.249 -0.935 19151 13907 1 18 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.362 -0.134 19151 13908 1 18 . 1 1 147 147 LEU H H 147 7.458 7.458 7.616 -0.158 19151 13909 1 18 . 1 1 148 148 LEU N N 148 117.062 117.062 118.798 -1.736 19151 13910 1 18 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.698 0.020 19151 13911 1 18 . 1 1 148 148 LEU C C 148 175.570 175.570 177.170 -1.600 19151 13912 1 18 . 1 1 148 148 LEU CA C 148 53.951 53.951 55.081 -1.129 19151 13913 1 18 . 1 1 148 148 LEU CB C 148 39.600 39.600 40.271 -0.671 19151 13914 1 18 . 1 1 148 148 LEU H H 148 6.482 6.482 6.953 -0.471 19151 13915 1 19 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.595 -0.366 19151 13916 1 19 . 1 1 2 2 ALA C C 2 173.315 173.315 176.310 -2.995 19151 13917 1 19 . 1 1 2 2 ALA CA C 2 51.580 51.580 52.248 -0.668 19151 13918 1 19 . 1 1 2 2 ALA CB C 2 20.223 20.223 19.891 0.332 19151 13919 1 19 . 1 1 3 3 GLU N N 3 121.874 121.874 121.417 0.457 19151 13920 1 19 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.520 -0.246 19151 13921 1 19 . 1 1 3 3 GLU C C 3 174.545 174.545 175.544 -0.999 19151 13922 1 19 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.192 0.658 19151 13923 1 19 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.824 -1.104 19151 13924 1 19 . 1 1 3 3 GLU H H 3 8.696 8.696 8.594 0.102 19151 13925 1 19 . 1 1 4 4 ILE N N 4 120.672 120.672 125.265 -4.593 19151 13926 1 19 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.817 0.292 19151 13927 1 19 . 1 1 4 4 ILE C C 4 175.463 175.463 174.954 0.509 19151 13928 1 19 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.123 -0.291 19151 13929 1 19 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.298 3.372 19151 13930 1 19 . 1 1 4 4 ILE H H 4 8.860 8.860 9.222 -0.362 19151 13931 1 19 . 1 1 5 5 GLY N N 5 119.310 119.310 114.715 4.595 19151 13932 1 19 . 1 1 5 5 GLY C C 5 171.260 171.260 172.908 -1.648 19151 13933 1 19 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.481 0.339 19151 13934 1 19 . 1 1 5 5 GLY H H 5 8.469 8.469 8.088 0.381 19151 13935 1 19 . 1 1 6 6 ILE N N 6 126.915 126.915 126.126 0.789 19151 13936 1 19 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.055 0.135 19151 13937 1 19 . 1 1 6 6 ILE C C 6 173.901 173.901 174.458 -0.557 19151 13938 1 19 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.678 -0.678 19151 13939 1 19 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.752 -1.752 19151 13940 1 19 . 1 1 6 6 ILE H H 6 9.056 9.056 9.170 -0.114 19151 13941 1 19 . 1 1 7 7 PHE N N 7 127.354 127.354 127.610 -0.256 19151 13942 1 19 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.038 -0.526 19151 13943 1 19 . 1 1 7 7 PHE C C 7 174.230 174.230 174.401 -0.171 19151 13944 1 19 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.646 1.764 19151 13945 1 19 . 1 1 7 7 PHE CB C 7 41.728 41.728 41.241 0.487 19151 13946 1 19 . 1 1 7 7 PHE H H 7 8.960 8.960 9.563 -0.603 19151 13947 1 19 . 1 1 8 8 VAL N N 8 127.270 127.270 124.503 2.767 19151 13948 1 19 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.151 -0.091 19151 13949 1 19 . 1 1 8 8 VAL C C 8 175.450 175.450 175.883 -0.433 19151 13950 1 19 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.007 1.193 19151 13951 1 19 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.255 0.182 19151 13952 1 19 . 1 1 8 8 VAL H H 8 8.581 8.581 8.038 0.543 19151 13953 1 19 . 1 1 9 9 GLY N N 9 115.000 115.000 117.207 -2.207 19151 13954 1 19 . 1 1 9 9 GLY C C 9 173.150 173.150 172.451 0.699 19151 13955 1 19 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.432 0.568 19151 13956 1 19 . 1 1 9 9 GLY H H 9 9.393 9.393 9.069 0.324 19151 13957 1 19 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.083 0.612 19151 13958 1 19 . 1 1 12 12 TYR C C 12 176.560 176.560 175.801 0.759 19151 13959 1 19 . 1 1 12 12 TYR CA C 12 57.750 57.750 59.066 -1.316 19151 13960 1 19 . 1 1 12 12 TYR CB C 12 38.000 38.000 35.218 2.782 19151 13961 1 19 . 1 1 13 13 GLY N N 13 109.870 109.870 105.226 4.644 19151 13962 1 19 . 1 1 13 13 GLY C C 13 175.930 175.930 174.775 1.155 19151 13963 1 19 . 1 1 13 13 GLY CA C 13 46.000 46.000 45.240 0.760 19151 13964 1 19 . 1 1 13 13 GLY H H 13 8.500 8.500 8.236 0.264 19151 13965 1 19 . 1 1 17 17 LEU HA H 17 4.230 4.230 3.710 0.520 19151 13966 1 19 . 1 1 17 17 LEU C C 17 179.210 179.210 176.886 2.324 19151 13967 1 19 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.921 0.479 19151 13968 1 19 . 1 1 17 17 LEU CB C 17 41.300 41.300 40.446 0.854 19151 13969 1 19 . 1 1 18 18 VAL N N 18 117.231 117.231 119.802 -2.571 19151 13970 1 19 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.609 -0.286 19151 13971 1 19 . 1 1 18 18 VAL C C 18 178.460 178.460 178.015 0.445 19151 13972 1 19 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.203 0.663 19151 13973 1 19 . 1 1 18 18 VAL CB C 18 31.460 31.460 31.034 0.426 19151 13974 1 19 . 1 1 18 18 VAL H H 18 7.645 7.645 8.172 -0.527 19151 13975 1 19 . 1 1 19 19 ALA N N 19 121.820 121.820 121.903 -0.083 19151 13976 1 19 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.952 -0.136 19151 13977 1 19 . 1 1 19 19 ALA C C 19 178.180 178.180 179.471 -1.291 19151 13978 1 19 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.669 -0.093 19151 13979 1 19 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.063 1.937 19151 13980 1 19 . 1 1 19 19 ALA H H 19 8.010 8.010 7.851 0.159 19151 13981 1 19 . 1 1 20 20 GLU N N 20 118.960 118.960 118.335 0.625 19151 13982 1 19 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.021 -0.005 19151 13983 1 19 . 1 1 20 20 GLU C C 20 180.950 180.950 179.403 1.547 19151 13984 1 19 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.046 0.620 19151 13985 1 19 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.371 -0.071 19151 13986 1 19 . 1 1 20 20 GLU H H 20 8.700 8.700 8.023 0.677 19151 13987 1 19 . 1 1 21 21 GLU N N 21 121.371 121.371 119.703 1.668 19151 13988 1 19 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.070 -0.026 19151 13989 1 19 . 1 1 21 21 GLU C C 21 179.419 179.419 178.847 0.572 19151 13990 1 19 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.204 0.106 19151 13991 1 19 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.349 0.212 19151 13992 1 19 . 1 1 21 21 GLU H H 21 8.632 8.632 7.889 0.743 19151 13993 1 19 . 1 1 22 22 ALA N N 22 121.329 121.329 122.863 -1.534 19151 13994 1 19 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.064 -0.006 19151 13995 1 19 . 1 1 22 22 ALA C C 22 178.823 178.823 179.433 -0.610 19151 13996 1 19 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.647 -0.970 19151 13997 1 19 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.097 -0.454 19151 13998 1 19 . 1 1 22 22 ALA H H 22 8.182 8.182 8.639 -0.457 19151 13999 1 19 . 1 1 23 23 GLU N N 23 119.035 119.035 119.430 -0.395 19151 14000 1 19 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.013 -0.609 19151 14001 1 19 . 1 1 23 23 GLU C C 23 178.375 178.375 178.338 0.037 19151 14002 1 19 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.858 0.451 19151 14003 1 19 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.575 -0.645 19151 14004 1 19 . 1 1 23 23 GLU H H 23 8.387 8.387 8.412 -0.025 19151 14005 1 19 . 1 1 24 24 ALA N N 24 122.207 122.207 121.822 0.385 19151 14006 1 19 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.107 -0.077 19151 14007 1 19 . 1 1 24 24 ALA C C 24 181.132 181.132 180.038 1.094 19151 14008 1 19 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.056 0.431 19151 14009 1 19 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.563 -0.563 19151 14010 1 19 . 1 1 24 24 ALA H H 24 7.535 7.535 7.724 -0.189 19151 14011 1 19 . 1 1 25 25 ILE N N 25 121.059 121.059 120.167 0.892 19151 14012 1 19 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.715 -0.051 19151 14013 1 19 . 1 1 25 25 ILE C C 25 178.419 178.419 177.929 0.490 19151 14014 1 19 . 1 1 25 25 ILE CA C 25 65.108 65.108 65.929 -0.821 19151 14015 1 19 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.132 0.831 19151 14016 1 19 . 1 1 25 25 ILE H H 25 7.800 7.800 8.505 -0.705 19151 14017 1 19 . 1 1 26 26 LEU N N 26 119.307 119.307 120.790 -1.483 19151 14018 1 19 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.130 0.046 19151 14019 1 19 . 1 1 26 26 LEU C C 26 179.863 179.863 179.733 0.130 19151 14020 1 19 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.455 -0.509 19151 14021 1 19 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.279 -0.139 19151 14022 1 19 . 1 1 26 26 LEU H H 26 8.509 8.509 8.574 -0.065 19151 14023 1 19 . 1 1 27 27 THR N N 27 117.830 117.830 115.690 2.140 19151 14024 1 19 . 1 1 27 27 THR HA H 27 4.524 4.524 4.317 0.207 19151 14025 1 19 . 1 1 27 27 THR C C 27 179.027 179.027 176.140 2.887 19151 14026 1 19 . 1 1 27 27 THR CA C 27 66.000 66.000 66.467 -0.467 19151 14027 1 19 . 1 1 27 27 THR CB C 27 68.600 68.600 68.546 0.054 19151 14028 1 19 . 1 1 27 27 THR H H 27 8.796 8.796 8.516 0.280 19151 14029 1 19 . 1 1 28 28 ALA N N 28 126.313 126.313 122.098 4.215 19151 14030 1 19 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.178 0.027 19151 14031 1 19 . 1 1 28 28 ALA C C 28 179.360 179.360 179.503 -0.143 19151 14032 1 19 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.134 0.866 19151 14033 1 19 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.242 -0.592 19151 14034 1 19 . 1 1 28 28 ALA H H 28 7.832 7.832 7.758 0.074 19151 14035 1 19 . 1 1 29 29 GLN N N 29 115.527 115.527 116.581 -1.054 19151 14036 1 19 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.138 -0.011 19151 14037 1 19 . 1 1 29 29 GLN C C 29 176.547 176.547 176.938 -0.391 19151 14038 1 19 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.888 -0.325 19151 14039 1 19 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.574 -0.164 19151 14040 1 19 . 1 1 29 29 GLN H H 29 7.353 7.353 8.298 -0.945 19151 14041 1 19 . 1 1 30 30 GLY N N 30 105.961 105.961 105.399 0.562 19151 14042 1 19 . 1 1 30 30 GLY C C 30 174.785 174.785 173.870 0.915 19151 14043 1 19 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.529 -0.029 19151 14044 1 19 . 1 1 30 30 GLY H H 30 7.923 7.923 7.588 0.335 19151 14045 1 19 . 1 1 31 31 HIS N N 31 119.471 119.471 118.300 1.171 19151 14046 1 19 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.835 -0.000 19151 14047 1 19 . 1 1 31 31 HIS C C 31 174.665 174.665 173.977 0.688 19151 14048 1 19 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.623 1.219 19151 14049 1 19 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.374 0.626 19151 14050 1 19 . 1 1 31 31 HIS H H 31 7.558 7.558 7.835 -0.277 19151 14051 1 19 . 1 1 32 32 LYS N N 32 121.854 121.854 121.609 0.245 19151 14052 1 19 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.636 0.087 19151 14053 1 19 . 1 1 32 32 LYS C C 32 174.466 174.466 174.529 -0.063 19151 14054 1 19 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.880 -0.015 19151 14055 1 19 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.537 0.423 19151 14056 1 19 . 1 1 32 32 LYS H H 32 8.665 8.665 8.764 -0.099 19151 14057 1 19 . 1 1 33 33 ALA N N 33 130.188 130.188 130.450 -0.262 19151 14058 1 19 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.737 0.081 19151 14059 1 19 . 1 1 33 33 ALA C C 33 175.567 175.567 176.183 -0.616 19151 14060 1 19 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.103 -0.127 19151 14061 1 19 . 1 1 33 33 ALA CB C 33 22.297 22.297 22.130 0.167 19151 14062 1 19 . 1 1 33 33 ALA H H 33 8.837 8.837 8.210 0.627 19151 14063 1 19 . 1 1 34 34 THR N N 34 117.164 117.164 116.299 0.865 19151 14064 1 19 . 1 1 34 34 THR HA H 34 4.359 4.359 4.611 -0.252 19151 14065 1 19 . 1 1 34 34 THR C C 34 171.315 171.315 172.686 -1.371 19151 14066 1 19 . 1 1 34 34 THR CA C 34 61.840 61.840 61.481 0.359 19151 14067 1 19 . 1 1 34 34 THR CB C 34 71.800 71.800 72.552 -0.752 19151 14068 1 19 . 1 1 34 34 THR H H 34 7.826 7.826 8.918 -1.092 19151 14069 1 19 . 1 1 35 35 VAL N N 35 126.650 126.650 122.846 3.804 19151 14070 1 19 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.401 -0.218 19151 14071 1 19 . 1 1 35 35 VAL C C 35 174.675 174.675 175.119 -0.444 19151 14072 1 19 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.712 0.216 19151 14073 1 19 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.996 -0.346 19151 14074 1 19 . 1 1 35 35 VAL H H 35 8.496 8.496 8.415 0.081 19151 14075 1 19 . 1 1 36 36 PHE N N 36 127.630 127.630 126.818 0.812 19151 14076 1 19 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.716 -0.165 19151 14077 1 19 . 1 1 36 36 PHE C C 36 174.347 174.347 174.379 -0.032 19151 14078 1 19 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.476 1.006 19151 14079 1 19 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.419 -0.254 19151 14080 1 19 . 1 1 36 36 PHE H H 36 9.164 9.164 9.154 0.010 19151 14081 1 19 . 1 1 37 37 GLU N N 37 123.516 123.516 123.747 -0.231 19151 14082 1 19 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.537 -0.067 19151 14083 1 19 . 1 1 37 37 GLU C C 37 175.954 175.954 176.402 -0.448 19151 14084 1 19 . 1 1 37 37 GLU CA C 37 55.719 55.719 55.995 -0.276 19151 14085 1 19 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.859 0.601 19151 14086 1 19 . 1 1 37 37 GLU H H 37 8.455 8.455 8.699 -0.244 19151 14087 1 19 . 1 1 38 38 ASP N N 38 120.395 120.395 122.097 -1.702 19151 14088 1 19 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.445 0.388 19151 14089 1 19 . 1 1 38 38 ASP C C 38 173.920 173.920 174.651 -0.731 19151 14090 1 19 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.369 0.108 19151 14091 1 19 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.446 0.158 19151 14092 1 19 . 1 1 38 38 ASP H H 38 9.602 9.602 8.126 1.476 19151 14093 1 19 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.654 0.026 19151 14094 1 19 . 1 1 39 39 PRO C C 39 176.274 176.274 176.129 0.145 19151 14095 1 19 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.473 -0.489 19151 14096 1 19 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.218 1.182 19151 14097 1 19 . 1 1 40 40 GLU N N 40 119.026 119.026 121.029 -2.003 19151 14098 1 19 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.655 0.073 19151 14099 1 19 . 1 1 40 40 GLU C C 40 177.827 177.827 178.390 -0.563 19151 14100 1 19 . 1 1 40 40 GLU CA C 40 53.970 53.970 53.992 -0.022 19151 14101 1 19 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.476 1.924 19151 14102 1 19 . 1 1 40 40 GLU H H 40 9.178 9.178 8.834 0.344 19151 14103 1 19 . 1 1 41 41 LEU N N 41 123.708 123.708 124.174 -0.466 19151 14104 1 19 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.261 -0.367 19151 14105 1 19 . 1 1 41 41 LEU C C 41 178.730 178.730 177.446 1.284 19151 14106 1 19 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.507 0.900 19151 14107 1 19 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.623 0.030 19151 14108 1 19 . 1 1 41 41 LEU H H 41 9.160 9.160 8.638 0.522 19151 14109 1 19 . 1 1 42 42 SER N N 42 110.500 110.500 112.268 -1.768 19151 14110 1 19 . 1 1 42 42 SER HA H 42 4.010 4.010 4.262 -0.252 19151 14111 1 19 . 1 1 42 42 SER C C 42 176.300 176.300 175.386 0.914 19151 14112 1 19 . 1 1 42 42 SER CA C 42 61.600 61.600 60.615 0.984 19151 14113 1 19 . 1 1 42 42 SER CB C 42 62.140 62.140 62.764 -0.624 19151 14114 1 19 . 1 1 42 42 SER H H 42 8.415 8.415 8.404 0.011 19151 14115 1 19 . 1 1 43 43 ASP N N 43 119.770 119.770 121.113 -1.343 19151 14116 1 19 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.645 -0.188 19151 14117 1 19 . 1 1 43 43 ASP C C 43 176.150 176.150 175.955 0.195 19151 14118 1 19 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.482 1.268 19151 14119 1 19 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.903 1.797 19151 14120 1 19 . 1 1 43 43 ASP H H 43 7.690 7.690 8.005 -0.315 19151 14121 1 19 . 1 1 44 44 TRP N N 44 118.500 118.500 120.780 -2.280 19151 14122 1 19 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.531 -0.321 19151 14123 1 19 . 1 1 44 44 TRP C C 44 177.150 177.150 177.918 -0.768 19151 14124 1 19 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.345 1.042 19151 14125 1 19 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.755 -0.445 19151 14126 1 19 . 1 1 44 44 TRP H H 44 7.464 7.464 7.403 0.061 19151 14127 1 19 . 1 1 45 45 LEU N N 45 114.100 114.100 120.620 -6.520 19151 14128 1 19 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.037 0.138 19151 14129 1 19 . 1 1 45 45 LEU C C 45 176.300 176.300 175.819 0.481 19151 14130 1 19 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.181 -0.620 19151 14131 1 19 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.365 -0.145 19151 14132 1 19 . 1 1 45 45 LEU H H 45 7.550 7.550 8.244 -0.694 19151 14133 1 19 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.168 0.212 19151 14134 1 19 . 1 1 46 46 PRO C C 46 176.799 176.799 176.987 -0.188 19151 14135 1 19 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.829 0.458 19151 14136 1 19 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.285 0.315 19151 14137 1 19 . 1 1 47 47 TYR N N 47 113.790 113.790 114.382 -0.592 19151 14138 1 19 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.596 -0.476 19151 14139 1 19 . 1 1 47 47 TYR C C 47 175.730 175.730 177.593 -1.863 19151 14140 1 19 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.239 1.961 19151 14141 1 19 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.576 0.440 19151 14142 1 19 . 1 1 47 47 TYR H H 47 8.291 8.291 8.068 0.223 19151 14143 1 19 . 1 1 48 48 GLN N N 48 116.524 116.524 119.749 -3.225 19151 14144 1 19 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.978 -0.093 19151 14145 1 19 . 1 1 48 48 GLN C C 48 174.381 174.381 175.877 -1.496 19151 14146 1 19 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.184 0.642 19151 14147 1 19 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.882 2.118 19151 14148 1 19 . 1 1 48 48 GLN H H 48 7.300 7.300 7.519 -0.219 19151 14149 1 19 . 1 1 49 49 ASP N N 49 114.657 114.657 112.211 2.446 19151 14150 1 19 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.607 0.080 19151 14151 1 19 . 1 1 49 49 ASP C C 49 176.307 176.307 175.761 0.546 19151 14152 1 19 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.884 -2.149 19151 14153 1 19 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.031 -0.831 19151 14154 1 19 . 1 1 49 49 ASP H H 49 7.854 7.854 8.299 -0.445 19151 14155 1 19 . 1 1 50 50 LYS N N 50 123.514 123.514 119.493 4.021 19151 14156 1 19 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.508 0.082 19151 14157 1 19 . 1 1 50 50 LYS C C 50 172.964 172.964 174.826 -1.862 19151 14158 1 19 . 1 1 50 50 LYS CA C 50 54.693 54.693 54.441 0.252 19151 14159 1 19 . 1 1 50 50 LYS CB C 50 33.500 33.500 35.056 -1.556 19151 14160 1 19 . 1 1 50 50 LYS H H 50 7.833 7.833 7.522 0.311 19151 14161 1 19 . 1 1 51 51 TYR N N 51 118.375 118.375 115.955 2.420 19151 14162 1 19 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.705 0.350 19151 14163 1 19 . 1 1 51 51 TYR C C 51 175.875 175.875 176.340 -0.465 19151 14164 1 19 . 1 1 51 51 TYR CA C 51 56.421 56.421 56.482 -0.061 19151 14165 1 19 . 1 1 51 51 TYR CB C 51 42.477 42.477 40.555 1.922 19151 14166 1 19 . 1 1 51 51 TYR H H 51 7.745 7.745 8.177 -0.432 19151 14167 1 19 . 1 1 52 52 VAL N N 52 112.527 112.527 115.153 -2.626 19151 14168 1 19 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.892 0.608 19151 14169 1 19 . 1 1 52 52 VAL C C 52 173.910 173.910 174.153 -0.243 19151 14170 1 19 . 1 1 52 52 VAL CA C 52 58.696 58.696 61.071 -2.375 19151 14171 1 19 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.193 1.299 19151 14172 1 19 . 1 1 52 52 VAL H H 52 8.673 8.673 8.529 0.144 19151 14173 1 19 . 1 1 53 53 LEU N N 53 124.294 124.294 124.630 -0.336 19151 14174 1 19 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.291 -0.391 19151 14175 1 19 . 1 1 53 53 LEU C C 53 175.070 175.070 174.707 0.363 19151 14176 1 19 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.199 -0.633 19151 14177 1 19 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.395 -1.165 19151 14178 1 19 . 1 1 53 53 LEU H H 53 9.137 9.137 9.226 -0.089 19151 14179 1 19 . 1 1 54 54 VAL N N 54 127.850 127.850 126.902 0.948 19151 14180 1 19 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.730 -0.220 19151 14181 1 19 . 1 1 54 54 VAL C C 54 174.030 174.030 174.248 -0.218 19151 14182 1 19 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.414 0.410 19151 14183 1 19 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.822 -1.131 19151 14184 1 19 . 1 1 54 54 VAL H H 54 8.619 8.619 8.743 -0.124 19151 14185 1 19 . 1 1 55 55 VAL N N 55 127.181 127.181 128.225 -1.044 19151 14186 1 19 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.905 0.180 19151 14187 1 19 . 1 1 55 55 VAL C C 55 174.942 174.942 174.549 0.393 19151 14188 1 19 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.688 -0.619 19151 14189 1 19 . 1 1 55 55 VAL CB C 55 33.222 33.222 32.745 0.477 19151 14190 1 19 . 1 1 55 55 VAL H H 55 8.578 8.578 9.016 -0.438 19151 14191 1 19 . 1 1 56 56 THR N N 56 117.420 117.420 123.470 -6.050 19151 14192 1 19 . 1 1 56 56 THR HA H 56 5.590 5.590 5.033 0.557 19151 14193 1 19 . 1 1 56 56 THR C C 56 172.640 172.640 172.505 0.135 19151 14194 1 19 . 1 1 56 56 THR CA C 56 59.359 59.359 61.230 -1.871 19151 14195 1 19 . 1 1 56 56 THR CB C 56 70.715 70.715 70.491 0.224 19151 14196 1 19 . 1 1 56 56 THR H H 56 8.710 8.710 8.976 -0.266 19151 14197 1 19 . 1 1 57 57 SER HA H 57 5.250 5.250 5.037 0.213 19151 14198 1 19 . 1 1 57 57 SER CA C 57 57.730 57.730 56.412 1.318 19151 14199 1 19 . 1 1 57 57 SER CB C 57 64.500 64.500 64.445 0.055 19151 14200 1 19 . 1 1 57 57 SER H H 57 8.075 8.075 8.778 -0.703 19151 14201 1 19 . 1 1 58 58 THR H H 58 7.900 7.900 8.652 -0.752 19151 14202 1 19 . 1 1 59 59 THR HA H 59 4.900 4.900 4.075 0.825 19151 14203 1 19 . 1 1 59 59 THR CA C 59 61.200 61.200 66.028 -4.827 19151 14204 1 19 . 1 1 59 59 THR CB C 59 73.400 73.400 69.226 4.174 19151 14205 1 19 . 1 1 59 59 THR H H 59 9.230 9.230 7.612 1.618 19151 14206 1 19 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.422 1.078 19151 14207 1 19 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.120 0.286 19151 14208 1 19 . 1 1 61 61 GLN C C 61 175.950 175.950 176.089 -0.139 19151 14209 1 19 . 1 1 61 61 GLN CA C 61 55.350 55.350 56.719 -1.369 19151 14210 1 19 . 1 1 61 61 GLN CB C 61 29.160 29.160 28.989 0.171 19151 14211 1 19 . 1 1 62 62 GLY N N 62 108.420 108.420 105.784 2.636 19151 14212 1 19 . 1 1 62 62 GLY C C 62 173.134 173.134 173.091 0.043 19151 14213 1 19 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.752 1.032 19151 14214 1 19 . 1 1 62 62 GLY H H 62 8.073 8.073 7.399 0.674 19151 14215 1 19 . 1 1 63 63 ASP N N 63 118.400 118.400 120.021 -1.621 19151 14216 1 19 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.820 -0.040 19151 14217 1 19 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.428 0.868 19151 14218 1 19 . 1 1 63 63 ASP CB C 63 42.740 42.740 44.061 -1.321 19151 14219 1 19 . 1 1 63 63 ASP H H 63 7.248 7.248 8.529 -1.281 19151 14220 1 19 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.609 -0.209 19151 14221 1 19 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.661 1.488 19151 14222 1 19 . 1 1 64 64 LEU CB C 64 41.687 41.687 43.490 -1.803 19151 14223 1 19 . 1 1 64 64 LEU H H 64 8.445 8.445 8.068 0.377 19151 14224 1 19 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.474 -0.181 19151 14225 1 19 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.578 -0.234 19151 14226 1 19 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.646 -0.166 19151 14227 1 19 . 1 1 66 66 ASP N N 66 121.200 121.200 122.380 -1.180 19151 14228 1 19 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.377 -0.117 19151 14229 1 19 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.267 1.363 19151 14230 1 19 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.852 -0.053 19151 14231 1 19 . 1 1 66 66 ASP H H 66 8.605 8.605 8.630 -0.025 19151 14232 1 19 . 1 1 67 67 SER HA H 67 4.292 4.292 4.344 -0.052 19151 14233 1 19 . 1 1 67 67 SER C C 67 175.650 175.650 175.322 0.328 19151 14234 1 19 . 1 1 67 67 SER CA C 67 60.500 60.500 60.721 -0.221 19151 14235 1 19 . 1 1 67 67 SER CB C 67 63.530 63.530 63.769 -0.239 19151 14236 1 19 . 1 1 68 68 ILE N N 68 120.550 120.550 120.757 -0.207 19151 14237 1 19 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.455 0.655 19151 14238 1 19 . 1 1 68 68 ILE C C 68 174.713 174.713 176.717 -2.004 19151 14239 1 19 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.937 -0.537 19151 14240 1 19 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.529 3.711 19151 14241 1 19 . 1 1 68 68 ILE H H 68 7.870 7.870 7.547 0.323 19151 14242 1 19 . 1 1 69 69 VAL N N 69 125.740 125.740 123.259 2.481 19151 14243 1 19 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.766 -0.021 19151 14244 1 19 . 1 1 69 69 VAL C C 69 174.500 174.500 175.228 -0.728 19151 14245 1 19 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.233 -0.683 19151 14246 1 19 . 1 1 69 69 VAL CB C 69 30.130 30.130 28.770 1.359 19151 14247 1 19 . 1 1 69 69 VAL H H 69 7.428 7.428 8.476 -1.048 19151 14248 1 19 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.340 -0.048 19151 14249 1 19 . 1 1 70 70 PRO C C 70 180.820 180.820 178.930 1.890 19151 14250 1 19 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.020 0.450 19151 14251 1 19 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.206 -0.549 19151 14252 1 19 . 1 1 71 71 LEU N N 71 119.467 119.467 120.167 -0.700 19151 14253 1 19 . 1 1 71 71 LEU HA H 71 3.845 3.845 3.988 -0.143 19151 14254 1 19 . 1 1 71 71 LEU C C 71 176.489 176.489 178.054 -1.565 19151 14255 1 19 . 1 1 71 71 LEU CA C 71 58.207 58.207 58.124 0.083 19151 14256 1 19 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.807 -0.321 19151 14257 1 19 . 1 1 71 71 LEU H H 71 7.918 7.918 7.641 0.277 19151 14258 1 19 . 1 1 72 72 PHE N N 72 119.361 119.361 119.306 0.055 19151 14259 1 19 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.300 -0.155 19151 14260 1 19 . 1 1 72 72 PHE C C 72 175.968 175.968 177.140 -1.172 19151 14261 1 19 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.695 0.126 19151 14262 1 19 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.647 0.900 19151 14263 1 19 . 1 1 72 72 PHE H H 72 7.903 7.903 8.695 -0.792 19151 14264 1 19 . 1 1 73 73 GLN N N 73 116.100 116.100 116.915 -0.815 19151 14265 1 19 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.772 -0.245 19151 14266 1 19 . 1 1 73 73 GLN C C 73 177.871 177.871 178.707 -0.836 19151 14267 1 19 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.837 -0.696 19151 14268 1 19 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.119 0.028 19151 14269 1 19 . 1 1 73 73 GLN H H 73 9.042 9.042 8.688 0.354 19151 14270 1 19 . 1 1 74 74 GLY N N 74 107.110 107.110 108.199 -1.089 19151 14271 1 19 . 1 1 74 74 GLY C C 74 175.894 175.894 176.413 -0.519 19151 14272 1 19 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.765 0.515 19151 14273 1 19 . 1 1 74 74 GLY H H 74 8.045 8.045 8.162 -0.117 19151 14274 1 19 . 1 1 75 75 ILE N N 75 123.629 123.629 122.716 0.913 19151 14275 1 19 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.348 -0.298 19151 14276 1 19 . 1 1 75 75 ILE C C 75 178.622 178.622 177.022 1.600 19151 14277 1 19 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.743 0.514 19151 14278 1 19 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.371 0.597 19151 14279 1 19 . 1 1 75 75 ILE H H 75 8.174 8.174 8.089 0.085 19151 14280 1 19 . 1 1 76 76 LYS N N 76 119.363 119.363 118.306 1.057 19151 14281 1 19 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.780 -0.475 19151 14282 1 19 . 1 1 76 76 LYS C C 76 177.909 177.909 178.172 -0.263 19151 14283 1 19 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.161 0.544 19151 14284 1 19 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.957 0.393 19151 14285 1 19 . 1 1 76 76 LYS H H 76 7.600 7.600 7.458 0.142 19151 14286 1 19 . 1 1 77 77 ASP N N 77 115.190 115.190 117.682 -2.492 19151 14287 1 19 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.598 -0.116 19151 14288 1 19 . 1 1 77 77 ASP C C 77 178.825 178.825 177.942 0.883 19151 14289 1 19 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.871 0.409 19151 14290 1 19 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.891 -0.701 19151 14291 1 19 . 1 1 77 77 ASP H H 77 8.482 8.482 8.197 0.285 19151 14292 1 19 . 1 1 78 78 SER N N 78 112.576 112.576 115.914 -3.338 19151 14293 1 19 . 1 1 78 78 SER HA H 78 4.728 4.728 4.410 0.318 19151 14294 1 19 . 1 1 78 78 SER C C 78 174.556 174.556 175.005 -0.449 19151 14295 1 19 . 1 1 78 78 SER CA C 78 60.045 60.045 60.390 -0.345 19151 14296 1 19 . 1 1 78 78 SER CB C 78 64.643 64.643 64.042 0.601 19151 14297 1 19 . 1 1 78 78 SER H H 78 8.273 8.273 7.952 0.321 19151 14298 1 19 . 1 1 79 79 LEU N N 79 120.833 120.833 120.596 0.237 19151 14299 1 19 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.441 0.374 19151 14300 1 19 . 1 1 79 79 LEU C C 79 176.251 176.251 179.011 -2.760 19151 14301 1 19 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.456 -2.496 19151 14302 1 19 . 1 1 79 79 LEU CB C 79 39.196 39.196 41.987 -2.791 19151 14303 1 19 . 1 1 79 79 LEU H H 79 7.025 7.025 7.498 -0.473 19151 14304 1 19 . 1 1 80 80 GLY N N 80 108.861 108.861 107.384 1.477 19151 14305 1 19 . 1 1 80 80 GLY C C 80 173.623 173.623 173.584 0.039 19151 14306 1 19 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.671 -0.442 19151 14307 1 19 . 1 1 80 80 GLY H H 80 7.499 7.499 8.142 -0.643 19151 14308 1 19 . 1 1 81 81 PHE N N 81 121.441 121.441 119.968 1.473 19151 14309 1 19 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.992 0.068 19151 14310 1 19 . 1 1 81 81 PHE C C 81 174.411 174.411 172.688 1.723 19151 14311 1 19 . 1 1 81 81 PHE CA C 81 57.211 57.211 56.428 0.783 19151 14312 1 19 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.994 -1.374 19151 14313 1 19 . 1 1 81 81 PHE H H 81 8.018 8.018 7.609 0.409 19151 14314 1 19 . 1 1 82 82 GLN N N 82 126.480 126.480 123.232 3.248 19151 14315 1 19 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.607 0.283 19151 14316 1 19 . 1 1 82 82 GLN C C 82 172.700 172.700 173.540 -0.840 19151 14317 1 19 . 1 1 82 82 GLN CA C 82 54.177 54.177 51.956 2.221 19151 14318 1 19 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.303 2.296 19151 14319 1 19 . 1 1 82 82 GLN H H 82 9.588 9.588 7.456 2.132 19151 14320 1 19 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.327 0.046 19151 14321 1 19 . 1 1 83 83 PRO C C 83 178.163 178.163 176.670 1.493 19151 14322 1 19 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.075 -0.384 19151 14323 1 19 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.681 -0.816 19151 14324 1 19 . 1 1 84 84 ASN N N 84 116.900 116.900 113.894 3.006 19151 14325 1 19 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.846 -0.077 19151 14326 1 19 . 1 1 84 84 ASN C C 84 173.332 173.332 173.839 -0.507 19151 14327 1 19 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.581 -0.021 19151 14328 1 19 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.581 -1.321 19151 14329 1 19 . 1 1 84 84 ASN H H 84 8.578 8.578 8.156 0.422 19151 14330 1 19 . 1 1 85 85 LEU N N 85 124.380 124.380 122.907 1.473 19151 14331 1 19 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.282 -0.236 19151 14332 1 19 . 1 1 85 85 LEU C C 85 175.880 175.880 175.871 0.009 19151 14333 1 19 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.950 0.892 19151 14334 1 19 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.122 -0.822 19151 14335 1 19 . 1 1 85 85 LEU H H 85 7.240 7.240 7.627 -0.387 19151 14336 1 19 . 1 1 86 86 ARG N N 86 128.715 128.715 124.281 4.434 19151 14337 1 19 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.260 0.534 19151 14338 1 19 . 1 1 86 86 ARG C C 86 175.554 175.554 174.810 0.744 19151 14339 1 19 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.130 0.312 19151 14340 1 19 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.442 -1.569 19151 14341 1 19 . 1 1 86 86 ARG H H 86 7.732 7.732 8.183 -0.451 19151 14342 1 19 . 1 1 87 87 TYR N N 87 117.420 117.420 121.244 -3.824 19151 14343 1 19 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.591 1.174 19151 14344 1 19 . 1 1 87 87 TYR C C 87 172.931 172.931 173.207 -0.276 19151 14345 1 19 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.388 -1.127 19151 14346 1 19 . 1 1 87 87 TYR CB C 87 44.938 44.938 42.097 2.841 19151 14347 1 19 . 1 1 87 87 TYR H H 87 8.783 8.783 8.391 0.392 19151 14348 1 19 . 1 1 88 88 GLY N N 88 107.765 107.765 106.388 1.377 19151 14349 1 19 . 1 1 88 88 GLY C C 88 172.621 172.621 170.947 1.674 19151 14350 1 19 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.513 1.348 19151 14351 1 19 . 1 1 88 88 GLY H H 88 8.905 8.905 8.861 0.044 19151 14352 1 19 . 1 1 89 89 VAL N N 89 118.180 118.180 117.892 0.288 19151 14353 1 19 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.860 0.141 19151 14354 1 19 . 1 1 89 89 VAL C C 89 172.939 172.939 172.917 0.022 19151 14355 1 19 . 1 1 89 89 VAL CA C 89 60.999 60.999 59.979 1.020 19151 14356 1 19 . 1 1 89 89 VAL CB C 89 36.398 36.398 34.982 1.416 19151 14357 1 19 . 1 1 89 89 VAL H H 89 7.499 7.499 8.055 -0.556 19151 14358 1 19 . 1 1 90 90 ILE N N 90 125.000 125.000 126.054 -1.054 19151 14359 1 19 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.130 -0.003 19151 14360 1 19 . 1 1 90 90 ILE C C 90 173.099 173.099 173.594 -0.495 19151 14361 1 19 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.941 0.547 19151 14362 1 19 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.326 0.072 19151 14363 1 19 . 1 1 90 90 ILE H H 90 8.810 8.810 8.763 0.047 19151 14364 1 19 . 1 1 91 91 ALA N N 91 129.036 129.036 129.640 -0.604 19151 14365 1 19 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.383 -0.057 19151 14366 1 19 . 1 1 91 91 ALA C C 91 174.000 174.000 175.761 -1.761 19151 14367 1 19 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.730 -0.730 19151 14368 1 19 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.056 1.044 19151 14369 1 19 . 1 1 91 91 ALA H H 91 9.253 9.253 8.875 0.378 19151 14370 1 19 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.085 -0.154 19151 14371 1 19 . 1 1 92 92 LEU C C 92 177.366 177.366 176.280 1.086 19151 14372 1 19 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.216 0.701 19151 14373 1 19 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.307 -2.907 19151 14374 1 19 . 1 1 93 93 GLY N N 93 110.663 110.663 108.192 2.471 19151 14375 1 19 . 1 1 93 93 GLY C C 93 172.029 172.029 171.981 0.048 19151 14376 1 19 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.606 0.124 19151 14377 1 19 . 1 1 93 93 GLY H H 93 8.687 8.687 8.950 -0.263 19151 14378 1 19 . 1 1 94 94 ASP N N 94 119.304 119.304 119.810 -0.506 19151 14379 1 19 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.013 0.247 19151 14380 1 19 . 1 1 94 94 ASP C C 94 176.978 176.978 177.543 -0.565 19151 14381 1 19 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.534 1.073 19151 14382 1 19 . 1 1 94 94 ASP CB C 94 43.000 43.000 41.516 1.484 19151 14383 1 19 . 1 1 94 94 ASP H H 94 8.129 8.129 8.688 -0.559 19151 14384 1 19 . 1 1 95 95 SER N N 95 123.897 123.897 123.340 0.557 19151 14385 1 19 . 1 1 95 95 SER HA H 95 3.895 3.895 4.278 -0.383 19151 14386 1 19 . 1 1 95 95 SER C C 95 175.243 175.243 175.494 -0.251 19151 14387 1 19 . 1 1 95 95 SER CA C 95 60.183 60.183 59.907 0.276 19151 14388 1 19 . 1 1 95 95 SER CB C 95 61.700 61.700 62.584 -0.883 19151 14389 1 19 . 1 1 95 95 SER H H 95 8.878 8.878 8.878 -0.000 19151 14390 1 19 . 1 1 96 96 SER N N 96 119.248 119.248 116.847 2.401 19151 14391 1 19 . 1 1 96 96 SER HA H 96 4.209 4.209 4.232 -0.023 19151 14392 1 19 . 1 1 96 96 SER C C 96 173.900 173.900 175.057 -1.157 19151 14393 1 19 . 1 1 96 96 SER CA C 96 60.197 60.197 59.742 0.455 19151 14394 1 19 . 1 1 96 96 SER CB C 96 63.000 63.000 63.451 -0.451 19151 14395 1 19 . 1 1 96 96 SER H H 96 9.124 9.124 8.229 0.895 19151 14396 1 19 . 1 1 97 97 TYR N N 97 120.889 120.889 120.818 0.071 19151 14397 1 19 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.463 0.425 19151 14398 1 19 . 1 1 97 97 TYR C C 97 175.972 175.972 177.549 -1.577 19151 14399 1 19 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.597 -2.847 19151 14400 1 19 . 1 1 97 97 TYR CB C 97 39.820 39.820 38.835 0.985 19151 14401 1 19 . 1 1 97 97 TYR H H 97 7.664 7.664 7.779 -0.115 19151 14402 1 19 . 1 1 98 98 VAL N N 98 116.952 116.952 122.426 -5.474 19151 14403 1 19 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.819 0.241 19151 14404 1 19 . 1 1 98 98 VAL C C 98 175.969 175.969 176.519 -0.550 19151 14405 1 19 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.236 -2.396 19151 14406 1 19 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.678 0.922 19151 14407 1 19 . 1 1 98 98 VAL H H 98 7.970 7.970 8.623 -0.653 19151 14408 1 19 . 1 1 99 99 ASN N N 99 118.156 118.156 117.659 0.497 19151 14409 1 19 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.914 -0.403 19151 14410 1 19 . 1 1 99 99 ASN C C 99 174.329 174.329 175.819 -1.490 19151 14411 1 19 . 1 1 99 99 ASN CA C 99 53.031 53.031 53.011 0.020 19151 14412 1 19 . 1 1 99 99 ASN CB C 99 37.238 37.238 38.828 -1.590 19151 14413 1 19 . 1 1 99 99 ASN H H 99 8.296 8.296 8.181 0.115 19151 14414 1 19 . 1 1 100 100 PHE N N 100 118.649 118.649 119.871 -1.222 19151 14415 1 19 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.005 0.410 19151 14416 1 19 . 1 1 100 100 PHE C C 100 174.400 174.400 175.219 -0.819 19151 14417 1 19 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.919 -3.729 19151 14418 1 19 . 1 1 100 100 PHE CB C 100 39.679 39.679 37.892 1.788 19151 14419 1 19 . 1 1 100 100 PHE H H 100 7.855 7.855 7.897 -0.042 19151 14420 1 19 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.227 -0.642 19151 14421 1 19 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.416 5.324 19151 14422 1 19 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.150 -1.150 19151 14423 1 19 . 1 1 101 101 CYS H H 101 9.240 9.240 7.929 1.311 19151 14424 1 19 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.312 -0.092 19151 14425 1 19 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.241 0.959 19151 14426 1 19 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.637 -0.037 19151 14427 1 19 . 1 1 102 102 ASN H H 102 8.300 8.300 8.647 -0.347 19151 14428 1 19 . 1 1 103 103 GLY C C 103 175.690 175.690 175.829 -0.139 19151 14429 1 19 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.142 0.208 19151 14430 1 19 . 1 1 104 104 GLY N N 104 106.150 106.150 108.737 -2.587 19151 14431 1 19 . 1 1 104 104 GLY C C 104 174.570 174.570 176.053 -1.483 19151 14432 1 19 . 1 1 104 104 GLY CA C 104 47.350 47.350 45.711 1.639 19151 14433 1 19 . 1 1 104 104 GLY H H 104 7.108 7.108 7.702 -0.594 19151 14434 1 19 . 1 1 105 105 LYS N N 105 120.732 120.732 122.573 -1.841 19151 14435 1 19 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.965 -0.028 19151 14436 1 19 . 1 1 105 105 LYS C C 105 179.706 179.706 178.888 0.818 19151 14437 1 19 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.868 0.440 19151 14438 1 19 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.131 -0.334 19151 14439 1 19 . 1 1 105 105 LYS H H 105 7.708 7.708 7.496 0.212 19151 14440 1 19 . 1 1 106 106 GLN N N 106 119.087 119.087 117.513 1.574 19151 14441 1 19 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.172 -0.030 19151 14442 1 19 . 1 1 106 106 GLN C C 106 179.418 179.418 178.420 0.998 19151 14443 1 19 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.510 0.365 19151 14444 1 19 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.290 0.469 19151 14445 1 19 . 1 1 106 106 GLN H H 106 8.738 8.738 8.708 0.030 19151 14446 1 19 . 1 1 107 107 PHE N N 107 123.088 123.088 119.720 3.368 19151 14447 1 19 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.343 -0.093 19151 14448 1 19 . 1 1 107 107 PHE C C 107 178.403 178.403 177.776 0.627 19151 14449 1 19 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.805 0.380 19151 14450 1 19 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.908 0.543 19151 14451 1 19 . 1 1 107 107 PHE H H 107 7.922 7.922 7.967 -0.045 19151 14452 1 19 . 1 1 108 108 ASP N N 108 117.118 117.118 120.990 -3.872 19151 14453 1 19 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.592 -0.218 19151 14454 1 19 . 1 1 108 108 ASP C C 108 176.973 176.973 178.088 -1.115 19151 14455 1 19 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.638 0.791 19151 14456 1 19 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.181 2.942 19151 14457 1 19 . 1 1 108 108 ASP H H 108 8.305 8.305 8.084 0.221 19151 14458 1 19 . 1 1 109 109 ALA N N 109 118.590 118.590 122.670 -4.080 19151 14459 1 19 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.087 -0.037 19151 14460 1 19 . 1 1 109 109 ALA C C 109 180.430 180.430 179.970 0.460 19151 14461 1 19 . 1 1 109 109 ALA CA C 109 55.196 55.196 54.932 0.264 19151 14462 1 19 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.326 -0.219 19151 14463 1 19 . 1 1 109 109 ALA H H 109 8.332 8.332 7.913 0.419 19151 14464 1 19 . 1 1 110 110 LEU N N 110 120.402 120.402 119.864 0.538 19151 14465 1 19 . 1 1 110 110 LEU HA H 110 4.085 4.085 4.023 0.062 19151 14466 1 19 . 1 1 110 110 LEU C C 110 177.801 177.801 179.012 -1.211 19151 14467 1 19 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.608 0.032 19151 14468 1 19 . 1 1 110 110 LEU CB C 110 41.756 41.756 41.012 0.744 19151 14469 1 19 . 1 1 110 110 LEU H H 110 7.868 7.868 7.637 0.231 19151 14470 1 19 . 1 1 111 111 LEU N N 111 116.945 116.945 116.840 0.105 19151 14471 1 19 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.829 -0.111 19151 14472 1 19 . 1 1 111 111 LEU C C 111 179.838 179.838 179.320 0.518 19151 14473 1 19 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.648 0.318 19151 14474 1 19 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.450 -2.590 19151 14475 1 19 . 1 1 111 111 LEU H H 111 7.704 7.704 7.337 0.367 19151 14476 1 19 . 1 1 112 112 GLN N N 112 118.484 118.484 115.736 2.748 19151 14477 1 19 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.190 -0.049 19151 14478 1 19 . 1 1 112 112 GLN C C 112 181.218 181.218 177.679 3.539 19151 14479 1 19 . 1 1 112 112 GLN CA C 112 58.966 58.966 56.522 2.444 19151 14480 1 19 . 1 1 112 112 GLN CB C 112 29.260 29.260 27.804 1.456 19151 14481 1 19 . 1 1 112 112 GLN H H 112 8.441 8.441 7.774 0.667 19151 14482 1 19 . 1 1 113 113 GLU N N 113 122.905 122.905 116.937 5.968 19151 14483 1 19 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.217 -0.036 19151 14484 1 19 . 1 1 113 113 GLU C C 113 178.001 178.001 177.017 0.984 19151 14485 1 19 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.345 1.640 19151 14486 1 19 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.570 -0.300 19151 14487 1 19 . 1 1 113 113 GLU H H 113 8.305 8.305 7.844 0.461 19151 14488 1 19 . 1 1 114 114 GLN N N 114 117.332 117.332 118.052 -0.720 19151 14489 1 19 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.332 0.263 19151 14490 1 19 . 1 1 114 114 GLN C C 114 174.538 174.538 176.688 -2.150 19151 14491 1 19 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.189 -0.772 19151 14492 1 19 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.749 -4.919 19151 14493 1 19 . 1 1 114 114 GLN H H 114 7.520 7.520 7.448 0.072 19151 14494 1 19 . 1 1 115 115 SER N N 115 109.100 109.100 109.562 -0.462 19151 14495 1 19 . 1 1 115 115 SER HA H 115 4.200 4.200 4.506 -0.306 19151 14496 1 19 . 1 1 115 115 SER C C 115 172.302 172.302 173.553 -1.251 19151 14497 1 19 . 1 1 115 115 SER CA C 115 60.400 60.400 58.399 2.001 19151 14498 1 19 . 1 1 115 115 SER CB C 115 61.325 61.325 65.968 -4.643 19151 14499 1 19 . 1 1 115 115 SER H H 115 7.950 7.950 7.934 0.016 19151 14500 1 19 . 1 1 116 116 ALA N N 116 121.059 121.059 125.742 -4.683 19151 14501 1 19 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.287 0.507 19151 14502 1 19 . 1 1 116 116 ALA C C 116 176.774 176.774 175.792 0.982 19151 14503 1 19 . 1 1 116 116 ALA CA C 116 51.690 51.690 51.918 -0.228 19151 14504 1 19 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.751 0.614 19151 14505 1 19 . 1 1 116 116 ALA H H 116 7.813 7.813 7.908 -0.095 19151 14506 1 19 . 1 1 117 117 GLN N N 117 118.000 118.000 118.002 -0.002 19151 14507 1 19 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.668 -0.050 19151 14508 1 19 . 1 1 117 117 GLN C C 117 173.769 173.769 175.309 -1.540 19151 14509 1 19 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.513 0.043 19151 14510 1 19 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.077 -0.342 19151 14511 1 19 . 1 1 117 117 GLN H H 117 8.591 8.591 8.385 0.206 19151 14512 1 19 . 1 1 118 118 ARG N N 118 127.947 127.947 121.740 6.207 19151 14513 1 19 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.034 -1.726 19151 14514 1 19 . 1 1 118 118 ARG C C 118 176.758 176.758 175.500 1.258 19151 14515 1 19 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.659 1.527 19151 14516 1 19 . 1 1 118 118 ARG CB C 118 30.310 30.310 32.021 -1.711 19151 14517 1 19 . 1 1 118 118 ARG H H 118 8.659 8.659 8.627 0.032 19151 14518 1 19 . 1 1 119 119 VAL N N 119 131.939 131.939 124.575 7.364 19151 14519 1 19 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.258 -0.145 19151 14520 1 19 . 1 1 119 119 VAL C C 119 176.775 176.775 175.728 1.047 19151 14521 1 19 . 1 1 119 119 VAL CA C 119 62.174 62.174 60.888 1.286 19151 14522 1 19 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.571 -1.177 19151 14523 1 19 . 1 1 119 119 VAL H H 119 9.520 9.520 8.835 0.685 19151 14524 1 19 . 1 1 120 120 GLY N N 120 116.074 116.074 106.917 9.157 19151 14525 1 19 . 1 1 120 120 GLY C C 120 172.757 172.757 174.500 -1.743 19151 14526 1 19 . 1 1 120 120 GLY CA C 120 43.898 43.898 44.887 -0.989 19151 14527 1 19 . 1 1 120 120 GLY H H 120 8.755 8.755 8.161 0.594 19151 14528 1 19 . 1 1 121 121 GLU N N 121 118.754 118.754 122.771 -4.017 19151 14529 1 19 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.316 0.350 19151 14530 1 19 . 1 1 121 121 GLU C C 121 177.419 177.419 177.366 0.053 19151 14531 1 19 . 1 1 121 121 GLU CA C 121 54.491 54.491 56.621 -2.130 19151 14532 1 19 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.370 1.127 19151 14533 1 19 . 1 1 121 121 GLU H H 121 8.594 8.594 8.515 0.079 19151 14534 1 19 . 1 1 122 122 MET N N 122 122.642 122.642 119.493 3.149 19151 14535 1 19 . 1 1 122 122 MET HA H 122 4.415 4.415 4.820 -0.405 19151 14536 1 19 . 1 1 122 122 MET C C 122 175.351 175.351 175.562 -0.211 19151 14537 1 19 . 1 1 122 122 MET CA C 122 57.024 57.024 54.785 2.239 19151 14538 1 19 . 1 1 122 122 MET CB C 122 34.210 34.210 33.176 1.034 19151 14539 1 19 . 1 1 122 122 MET H H 122 8.892 8.892 8.515 0.377 19151 14540 1 19 . 1 1 123 123 LEU N N 123 129.535 129.535 122.820 6.715 19151 14541 1 19 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.442 -0.092 19151 14542 1 19 . 1 1 123 123 LEU C C 123 173.124 173.124 174.191 -1.067 19151 14543 1 19 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.393 0.346 19151 14544 1 19 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.819 -1.741 19151 14545 1 19 . 1 1 123 123 LEU H H 123 7.868 7.868 7.674 0.194 19151 14546 1 19 . 1 1 124 124 LEU N N 124 127.120 127.120 125.880 1.240 19151 14547 1 19 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.741 0.314 19151 14548 1 19 . 1 1 124 124 LEU C C 124 176.379 176.379 176.136 0.243 19151 14549 1 19 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.173 0.377 19151 14550 1 19 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.857 -1.479 19151 14551 1 19 . 1 1 124 124 LEU H H 124 8.346 8.346 8.202 0.144 19151 14552 1 19 . 1 1 125 125 ILE N N 125 124.337 124.337 125.607 -1.270 19151 14553 1 19 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.318 -0.138 19151 14554 1 19 . 1 1 125 125 ILE C C 125 174.303 174.303 174.747 -0.444 19151 14555 1 19 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.908 0.192 19151 14556 1 19 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.457 -0.514 19151 14557 1 19 . 1 1 125 125 ILE H H 125 8.974 8.974 8.796 0.178 19151 14558 1 19 . 1 1 126 126 ASP N N 126 127.113 127.113 127.777 -0.664 19151 14559 1 19 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.589 -0.474 19151 14560 1 19 . 1 1 126 126 ASP C C 126 176.766 176.766 176.667 0.099 19151 14561 1 19 . 1 1 126 126 ASP CA C 126 51.847 51.847 51.606 0.241 19151 14562 1 19 . 1 1 126 126 ASP CB C 126 41.100 41.100 40.123 0.977 19151 14563 1 19 . 1 1 126 126 ASP H H 126 9.397 9.397 8.866 0.531 19151 14564 1 19 . 1 1 127 127 ALA N N 127 131.178 131.178 128.409 2.769 19151 14565 1 19 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.437 -0.121 19151 14566 1 19 . 1 1 127 127 ALA C C 127 178.530 178.530 178.752 -0.222 19151 14567 1 19 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.179 -0.332 19151 14568 1 19 . 1 1 127 127 ALA CB C 127 18.792 18.792 18.773 0.019 19151 14569 1 19 . 1 1 127 127 ALA H H 127 9.696 9.696 8.925 0.771 19151 14570 1 19 . 1 1 128 128 SER N N 128 112.064 112.064 112.721 -0.657 19151 14571 1 19 . 1 1 128 128 SER HA H 128 4.224 4.224 4.238 -0.014 19151 14572 1 19 . 1 1 128 128 SER C C 128 175.000 175.000 175.754 -0.754 19151 14573 1 19 . 1 1 128 128 SER CA C 128 61.246 61.246 60.785 0.461 19151 14574 1 19 . 1 1 128 128 SER CB C 128 63.310 63.310 63.416 -0.106 19151 14575 1 19 . 1 1 128 128 SER H H 128 8.373 8.373 8.248 0.125 19151 14576 1 19 . 1 1 129 129 GLU N N 129 119.468 119.468 118.234 1.234 19151 14577 1 19 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.451 -0.051 19151 14578 1 19 . 1 1 129 129 GLU C C 129 175.947 175.947 175.909 0.038 19151 14579 1 19 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.850 -0.435 19151 14580 1 19 . 1 1 129 129 GLU CB C 129 31.730 31.730 32.112 -0.383 19151 14581 1 19 . 1 1 129 129 GLU H H 129 7.267 7.267 7.732 -0.465 19151 14582 1 19 . 1 1 130 130 ASN N N 130 115.968 115.968 118.544 -2.576 19151 14583 1 19 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.118 0.048 19151 14584 1 19 . 1 1 130 130 ASN C C 130 172.000 172.000 173.931 -1.931 19151 14585 1 19 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.837 -0.614 19151 14586 1 19 . 1 1 130 130 ASN CB C 130 39.666 39.666 40.131 -0.465 19151 14587 1 19 . 1 1 130 130 ASN H H 130 8.072 8.072 8.278 -0.206 19151 14588 1 19 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.535 0.015 19151 14589 1 19 . 1 1 131 131 PRO C C 131 176.400 176.400 176.143 0.257 19151 14590 1 19 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.752 -0.252 19151 14591 1 19 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.840 0.460 19151 14592 1 19 . 1 1 132 132 GLU N N 132 119.000 119.000 119.119 -0.119 19151 14593 1 19 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.875 0.145 19151 14594 1 19 . 1 1 132 132 GLU C C 132 174.200 174.200 175.117 -0.917 19151 14595 1 19 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.030 -0.030 19151 14596 1 19 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.401 0.299 19151 14597 1 19 . 1 1 132 132 GLU H H 132 7.690 7.690 8.170 -0.480 19151 14598 1 19 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.233 -0.233 19151 14599 1 19 . 1 1 133 133 PRO C C 133 177.391 177.391 178.190 -0.799 19151 14600 1 19 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.325 0.144 19151 14601 1 19 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.972 0.173 19151 14602 1 19 . 1 1 134 134 GLU N N 134 122.846 122.846 118.015 4.831 19151 14603 1 19 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.270 0.950 19151 14604 1 19 . 1 1 134 134 GLU C C 134 178.385 178.385 178.631 -0.246 19151 14605 1 19 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.345 -1.753 19151 14606 1 19 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.199 -1.609 19151 14607 1 19 . 1 1 134 134 GLU H H 134 10.707 10.707 8.913 1.794 19151 14608 1 19 . 1 1 135 135 THR N N 135 113.016 113.016 111.361 1.655 19151 14609 1 19 . 1 1 135 135 THR HA H 135 4.182 4.182 4.264 -0.082 19151 14610 1 19 . 1 1 135 135 THR C C 135 176.460 176.460 175.579 0.881 19151 14611 1 19 . 1 1 135 135 THR CA C 135 64.752 64.752 64.923 -0.171 19151 14612 1 19 . 1 1 135 135 THR CB C 135 69.248 69.248 68.821 0.427 19151 14613 1 19 . 1 1 135 135 THR H H 135 8.168 8.168 7.924 0.244 19151 14614 1 19 . 1 1 136 136 GLU N N 136 118.978 118.978 121.504 -2.526 19151 14615 1 19 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.557 0.007 19151 14616 1 19 . 1 1 136 136 GLU C C 136 178.370 178.370 178.624 -0.254 19151 14617 1 19 . 1 1 136 136 GLU CA C 136 56.913 56.913 57.766 -0.853 19151 14618 1 19 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.820 1.280 19151 14619 1 19 . 1 1 136 136 GLU H H 136 7.680 7.680 7.733 -0.053 19151 14620 1 19 . 1 1 137 137 SER N N 137 116.501 116.501 116.095 0.406 19151 14621 1 19 . 1 1 137 137 SER HA H 137 4.033 4.033 4.263 -0.230 19151 14622 1 19 . 1 1 137 137 SER C C 137 175.670 175.670 176.701 -1.031 19151 14623 1 19 . 1 1 137 137 SER CA C 137 62.330 62.330 61.928 0.402 19151 14624 1 19 . 1 1 137 137 SER CB C 137 61.380 61.380 63.115 -1.735 19151 14625 1 19 . 1 1 137 137 SER H H 137 8.824 8.824 8.595 0.229 19151 14626 1 19 . 1 1 138 138 ASN N N 138 123.517 123.517 121.310 2.207 19151 14627 1 19 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.760 -0.169 19151 14628 1 19 . 1 1 138 138 ASN C C 138 175.700 175.700 175.434 0.266 19151 14629 1 19 . 1 1 138 138 ASN CA C 138 57.486 57.486 56.835 0.651 19151 14630 1 19 . 1 1 138 138 ASN CB C 138 34.253 34.253 35.963 -1.710 19151 14631 1 19 . 1 1 138 138 ASN H H 138 8.564 8.564 8.337 0.227 19151 14632 1 19 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.417 0.038 19151 14633 1 19 . 1 1 139 139 PRO C C 139 180.033 180.033 178.560 1.473 19151 14634 1 19 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.415 0.195 19151 14635 1 19 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.360 -0.824 19151 14636 1 19 . 1 1 140 140 TRP N N 140 119.700 119.700 121.907 -2.207 19151 14637 1 19 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.458 -0.125 19151 14638 1 19 . 1 1 140 140 TRP C C 140 179.195 179.195 178.121 1.074 19151 14639 1 19 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.870 0.311 19151 14640 1 19 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.482 1.269 19151 14641 1 19 . 1 1 140 140 TRP H H 140 7.057 7.057 7.592 -0.535 19151 14642 1 19 . 1 1 141 141 VAL N N 141 122.879 122.879 119.125 3.754 19151 14643 1 19 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.730 0.006 19151 14644 1 19 . 1 1 141 141 VAL C C 141 177.416 177.416 178.512 -1.096 19151 14645 1 19 . 1 1 141 141 VAL CA C 141 66.716 66.716 66.796 -0.080 19151 14646 1 19 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.360 0.072 19151 14647 1 19 . 1 1 141 141 VAL H H 141 9.629 9.629 8.657 0.972 19151 14648 1 19 . 1 1 142 142 GLU N N 142 119.965 119.965 120.030 -0.065 19151 14649 1 19 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.884 -0.152 19151 14650 1 19 . 1 1 142 142 GLU C C 142 178.800 178.800 178.269 0.531 19151 14651 1 19 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.929 -0.597 19151 14652 1 19 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.788 -0.228 19151 14653 1 19 . 1 1 142 142 GLU H H 142 8.551 8.551 8.238 0.313 19151 14654 1 19 . 1 1 143 143 HIS N N 143 115.364 115.364 118.952 -3.588 19151 14655 1 19 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.199 0.091 19151 14656 1 19 . 1 1 143 143 HIS C C 143 177.840 177.840 176.936 0.904 19151 14657 1 19 . 1 1 143 143 HIS CA C 143 59.363 59.363 59.359 0.004 19151 14658 1 19 . 1 1 143 143 HIS CB C 143 29.362 29.362 30.238 -0.876 19151 14659 1 19 . 1 1 143 143 HIS H H 143 7.380 7.380 7.967 -0.587 19151 14660 1 19 . 1 1 144 144 TRP N N 144 126.680 126.680 121.681 4.999 19151 14661 1 19 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.863 -0.529 19151 14662 1 19 . 1 1 144 144 TRP C C 144 178.200 178.200 178.384 -0.184 19151 14663 1 19 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.593 2.367 19151 14664 1 19 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.293 0.233 19151 14665 1 19 . 1 1 144 144 TRP H H 144 9.215 9.215 8.617 0.598 19151 14666 1 19 . 1 1 145 145 GLY N N 145 100.130 100.130 105.590 -5.460 19151 14667 1 19 . 1 1 145 145 GLY C C 145 177.391 177.391 175.623 1.768 19151 14668 1 19 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.245 -0.485 19151 14669 1 19 . 1 1 145 145 GLY H H 145 8.834 8.834 8.554 0.280 19151 14670 1 19 . 1 1 146 146 THR N N 146 110.831 110.831 114.075 -3.244 19151 14671 1 19 . 1 1 146 146 THR HA H 146 4.319 4.319 4.049 0.270 19151 14672 1 19 . 1 1 146 146 THR C C 146 175.574 175.574 175.367 0.207 19151 14673 1 19 . 1 1 146 146 THR CA C 146 63.260 63.260 63.959 -0.699 19151 14674 1 19 . 1 1 146 146 THR CB C 146 69.660 69.660 68.179 1.481 19151 14675 1 19 . 1 1 146 146 THR H H 146 7.594 7.594 7.501 0.093 19151 14676 1 19 . 1 1 147 147 LEU N N 147 120.678 120.678 120.145 0.533 19151 14677 1 19 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.098 -0.040 19151 14678 1 19 . 1 1 147 147 LEU C C 147 177.176 177.176 176.483 0.693 19151 14679 1 19 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.150 -0.836 19151 14680 1 19 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.496 -0.268 19151 14681 1 19 . 1 1 147 147 LEU H H 147 7.458 7.458 7.354 0.104 19151 14682 1 19 . 1 1 148 148 LEU N N 148 117.062 117.062 118.749 -1.687 19151 14683 1 19 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.414 0.304 19151 14684 1 19 . 1 1 148 148 LEU C C 148 175.570 175.570 176.536 -0.966 19151 14685 1 19 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.506 -0.555 19151 14686 1 19 . 1 1 148 148 LEU CB C 148 39.600 39.600 40.279 -0.679 19151 14687 1 19 . 1 1 148 148 LEU H H 148 6.482 6.482 6.846 -0.364 19151 14688 1 20 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.850 -0.621 19151 14689 1 20 . 1 1 2 2 ALA C C 2 173.315 173.315 175.298 -1.983 19151 14690 1 20 . 1 1 2 2 ALA CA C 2 51.580 51.580 52.166 -0.586 19151 14691 1 20 . 1 1 2 2 ALA CB C 2 20.223 20.223 22.093 -1.870 19151 14692 1 20 . 1 1 3 3 GLU N N 3 121.874 121.874 120.830 1.044 19151 14693 1 20 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.471 -0.197 19151 14694 1 20 . 1 1 3 3 GLU C C 3 174.545 174.545 175.115 -0.570 19151 14695 1 20 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.220 0.630 19151 14696 1 20 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.508 -0.788 19151 14697 1 20 . 1 1 3 3 GLU H H 3 8.696 8.696 8.621 0.075 19151 14698 1 20 . 1 1 4 4 ILE N N 4 120.672 120.672 125.229 -4.557 19151 14699 1 20 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.829 0.280 19151 14700 1 20 . 1 1 4 4 ILE C C 4 175.463 175.463 175.034 0.429 19151 14701 1 20 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.123 -0.290 19151 14702 1 20 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.003 3.667 19151 14703 1 20 . 1 1 4 4 ILE H H 4 8.860 8.860 9.104 -0.244 19151 14704 1 20 . 1 1 5 5 GLY N N 5 119.310 119.310 115.093 4.217 19151 14705 1 20 . 1 1 5 5 GLY C C 5 171.260 171.260 172.987 -1.727 19151 14706 1 20 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.764 0.056 19151 14707 1 20 . 1 1 5 5 GLY H H 5 8.469 8.469 8.223 0.246 19151 14708 1 20 . 1 1 6 6 ILE N N 6 126.915 126.915 126.201 0.714 19151 14709 1 20 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.093 0.097 19151 14710 1 20 . 1 1 6 6 ILE C C 6 173.901 173.901 174.484 -0.583 19151 14711 1 20 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.685 -0.685 19151 14712 1 20 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.999 -1.999 19151 14713 1 20 . 1 1 6 6 ILE H H 6 9.056 9.056 9.275 -0.219 19151 14714 1 20 . 1 1 7 7 PHE N N 7 127.354 127.354 127.750 -0.396 19151 14715 1 20 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.068 -0.556 19151 14716 1 20 . 1 1 7 7 PHE C C 7 174.230 174.230 174.342 -0.112 19151 14717 1 20 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.451 1.959 19151 14718 1 20 . 1 1 7 7 PHE CB C 7 41.728 41.728 41.312 0.416 19151 14719 1 20 . 1 1 7 7 PHE H H 7 8.960 8.960 9.654 -0.694 19151 14720 1 20 . 1 1 8 8 VAL N N 8 127.270 127.270 125.375 1.895 19151 14721 1 20 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.002 0.058 19151 14722 1 20 . 1 1 8 8 VAL C C 8 175.450 175.450 175.524 -0.074 19151 14723 1 20 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.024 1.176 19151 14724 1 20 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.543 0.894 19151 14725 1 20 . 1 1 8 8 VAL H H 8 8.581 8.581 7.857 0.724 19151 14726 1 20 . 1 1 9 9 GLY N N 9 115.000 115.000 118.678 -3.678 19151 14727 1 20 . 1 1 9 9 GLY C C 9 173.150 173.150 173.678 -0.528 19151 14728 1 20 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.269 0.731 19151 14729 1 20 . 1 1 9 9 GLY H H 9 9.393 9.393 9.162 0.231 19151 14730 1 20 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.324 0.371 19151 14731 1 20 . 1 1 12 12 TYR C C 12 176.560 176.560 177.359 -0.799 19151 14732 1 20 . 1 1 12 12 TYR CA C 12 57.750 57.750 59.509 -1.759 19151 14733 1 20 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.215 -0.215 19151 14734 1 20 . 1 1 13 13 GLY N N 13 109.870 109.870 112.080 -2.210 19151 14735 1 20 . 1 1 13 13 GLY C C 13 175.930 175.930 174.290 1.640 19151 14736 1 20 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.688 1.312 19151 14737 1 20 . 1 1 13 13 GLY H H 13 8.500 8.500 8.703 -0.203 19151 14738 1 20 . 1 1 17 17 LEU HA H 17 4.230 4.230 3.910 0.320 19151 14739 1 20 . 1 1 17 17 LEU C C 17 179.210 179.210 177.769 1.441 19151 14740 1 20 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.907 0.493 19151 14741 1 20 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.654 -0.353 19151 14742 1 20 . 1 1 18 18 VAL N N 18 117.231 117.231 117.453 -0.222 19151 14743 1 20 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.549 -0.226 19151 14744 1 20 . 1 1 18 18 VAL C C 18 178.460 178.460 177.892 0.568 19151 14745 1 20 . 1 1 18 18 VAL CA C 18 66.866 66.866 65.798 1.068 19151 14746 1 20 . 1 1 18 18 VAL CB C 18 31.460 31.460 31.312 0.148 19151 14747 1 20 . 1 1 18 18 VAL H H 18 7.645 7.645 7.780 -0.135 19151 14748 1 20 . 1 1 19 19 ALA N N 19 121.820 121.820 121.758 0.062 19151 14749 1 20 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.924 -0.108 19151 14750 1 20 . 1 1 19 19 ALA C C 19 178.180 178.180 179.360 -1.180 19151 14751 1 20 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.614 -0.038 19151 14752 1 20 . 1 1 19 19 ALA CB C 19 20.000 20.000 17.940 2.060 19151 14753 1 20 . 1 1 19 19 ALA H H 19 8.010 8.010 8.310 -0.300 19151 14754 1 20 . 1 1 20 20 GLU N N 20 118.960 118.960 118.085 0.875 19151 14755 1 20 . 1 1 20 20 GLU HA H 20 4.016 4.016 3.996 0.020 19151 14756 1 20 . 1 1 20 20 GLU C C 20 180.950 180.950 179.462 1.488 19151 14757 1 20 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.321 0.345 19151 14758 1 20 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.343 -0.043 19151 14759 1 20 . 1 1 20 20 GLU H H 20 8.700 8.700 8.083 0.617 19151 14760 1 20 . 1 1 21 21 GLU N N 21 121.371 121.371 119.764 1.607 19151 14761 1 20 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.122 -0.078 19151 14762 1 20 . 1 1 21 21 GLU C C 21 179.419 179.419 178.865 0.554 19151 14763 1 20 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.179 0.131 19151 14764 1 20 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.348 0.213 19151 14765 1 20 . 1 1 21 21 GLU H H 21 8.632 8.632 7.823 0.809 19151 14766 1 20 . 1 1 22 22 ALA N N 22 121.329 121.329 122.941 -1.612 19151 14767 1 20 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.084 -0.026 19151 14768 1 20 . 1 1 22 22 ALA C C 22 178.823 178.823 179.362 -0.539 19151 14769 1 20 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.572 -0.895 19151 14770 1 20 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.176 -0.533 19151 14771 1 20 . 1 1 22 22 ALA H H 22 8.182 8.182 8.630 -0.448 19151 14772 1 20 . 1 1 23 23 GLU N N 23 119.035 119.035 119.218 -0.183 19151 14773 1 20 . 1 1 23 23 GLU HA H 23 3.404 3.404 3.990 -0.586 19151 14774 1 20 . 1 1 23 23 GLU C C 23 178.375 178.375 178.574 -0.199 19151 14775 1 20 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.734 0.574 19151 14776 1 20 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.621 -0.691 19151 14777 1 20 . 1 1 23 23 GLU H H 23 8.387 8.387 8.395 -0.008 19151 14778 1 20 . 1 1 24 24 ALA N N 24 122.207 122.207 121.771 0.436 19151 14779 1 20 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.109 -0.079 19151 14780 1 20 . 1 1 24 24 ALA C C 24 181.132 181.132 179.885 1.247 19151 14781 1 20 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.052 0.435 19151 14782 1 20 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.648 -0.648 19151 14783 1 20 . 1 1 24 24 ALA H H 24 7.535 7.535 7.559 -0.024 19151 14784 1 20 . 1 1 25 25 ILE N N 25 121.059 121.059 120.228 0.831 19151 14785 1 20 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.694 -0.030 19151 14786 1 20 . 1 1 25 25 ILE C C 25 178.419 178.419 177.918 0.501 19151 14787 1 20 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.024 -0.916 19151 14788 1 20 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.106 0.857 19151 14789 1 20 . 1 1 25 25 ILE H H 25 7.800 7.800 8.503 -0.703 19151 14790 1 20 . 1 1 26 26 LEU N N 26 119.307 119.307 120.332 -1.025 19151 14791 1 20 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.121 0.055 19151 14792 1 20 . 1 1 26 26 LEU C C 26 179.863 179.863 179.691 0.172 19151 14793 1 20 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.376 -0.430 19151 14794 1 20 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.208 -0.068 19151 14795 1 20 . 1 1 26 26 LEU H H 26 8.509 8.509 8.610 -0.101 19151 14796 1 20 . 1 1 27 27 THR N N 27 117.830 117.830 115.705 2.125 19151 14797 1 20 . 1 1 27 27 THR HA H 27 4.524 4.524 4.331 0.193 19151 14798 1 20 . 1 1 27 27 THR C C 27 179.027 179.027 176.377 2.650 19151 14799 1 20 . 1 1 27 27 THR CA C 27 66.000 66.000 66.572 -0.572 19151 14800 1 20 . 1 1 27 27 THR CB C 27 68.600 68.600 68.684 -0.084 19151 14801 1 20 . 1 1 27 27 THR H H 27 8.796 8.796 8.343 0.453 19151 14802 1 20 . 1 1 28 28 ALA N N 28 126.313 126.313 122.538 3.775 19151 14803 1 20 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.166 0.039 19151 14804 1 20 . 1 1 28 28 ALA C C 28 179.360 179.360 179.386 -0.026 19151 14805 1 20 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.130 0.870 19151 14806 1 20 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.192 -0.542 19151 14807 1 20 . 1 1 28 28 ALA H H 28 7.832 7.832 7.829 0.003 19151 14808 1 20 . 1 1 29 29 GLN N N 29 115.527 115.527 116.521 -0.994 19151 14809 1 20 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.132 -0.005 19151 14810 1 20 . 1 1 29 29 GLN C C 29 176.547 176.547 176.924 -0.377 19151 14811 1 20 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.884 -0.321 19151 14812 1 20 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.716 -0.306 19151 14813 1 20 . 1 1 29 29 GLN H H 29 7.353 7.353 8.121 -0.768 19151 14814 1 20 . 1 1 30 30 GLY N N 30 105.961 105.961 105.662 0.299 19151 14815 1 20 . 1 1 30 30 GLY C C 30 174.785 174.785 173.936 0.849 19151 14816 1 20 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.452 0.048 19151 14817 1 20 . 1 1 30 30 GLY H H 30 7.923 7.923 7.573 0.350 19151 14818 1 20 . 1 1 31 31 HIS N N 31 119.471 119.471 118.058 1.413 19151 14819 1 20 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.838 -0.003 19151 14820 1 20 . 1 1 31 31 HIS C C 31 174.665 174.665 173.921 0.744 19151 14821 1 20 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.634 1.208 19151 14822 1 20 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.344 0.656 19151 14823 1 20 . 1 1 31 31 HIS H H 31 7.558 7.558 7.860 -0.302 19151 14824 1 20 . 1 1 32 32 LYS N N 32 121.854 121.854 121.495 0.359 19151 14825 1 20 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.585 0.138 19151 14826 1 20 . 1 1 32 32 LYS C C 32 174.466 174.466 174.603 -0.137 19151 14827 1 20 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.843 0.022 19151 14828 1 20 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.158 0.802 19151 14829 1 20 . 1 1 32 32 LYS H H 32 8.665 8.665 8.806 -0.141 19151 14830 1 20 . 1 1 33 33 ALA N N 33 130.188 130.188 129.647 0.541 19151 14831 1 20 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.675 0.143 19151 14832 1 20 . 1 1 33 33 ALA C C 33 175.567 175.567 176.729 -1.162 19151 14833 1 20 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.440 -0.464 19151 14834 1 20 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.380 0.917 19151 14835 1 20 . 1 1 33 33 ALA H H 33 8.837 8.837 7.932 0.905 19151 14836 1 20 . 1 1 34 34 THR N N 34 117.164 117.164 117.949 -0.785 19151 14837 1 20 . 1 1 34 34 THR HA H 34 4.359 4.359 4.703 -0.344 19151 14838 1 20 . 1 1 34 34 THR C C 34 171.315 171.315 173.125 -1.810 19151 14839 1 20 . 1 1 34 34 THR CA C 34 61.840 61.840 61.521 0.319 19151 14840 1 20 . 1 1 34 34 THR CB C 34 71.800 71.800 72.513 -0.713 19151 14841 1 20 . 1 1 34 34 THR H H 34 7.826 7.826 8.830 -1.004 19151 14842 1 20 . 1 1 35 35 VAL N N 35 126.650 126.650 125.471 1.179 19151 14843 1 20 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.297 -0.114 19151 14844 1 20 . 1 1 35 35 VAL C C 35 174.675 174.675 175.453 -0.778 19151 14845 1 20 . 1 1 35 35 VAL CA C 35 61.928 61.928 62.465 -0.537 19151 14846 1 20 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.048 0.602 19151 14847 1 20 . 1 1 35 35 VAL H H 35 8.496 8.496 8.867 -0.371 19151 14848 1 20 . 1 1 36 36 PHE N N 36 127.630 127.630 127.748 -0.118 19151 14849 1 20 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.654 -0.103 19151 14850 1 20 . 1 1 36 36 PHE C C 36 174.347 174.347 174.538 -0.191 19151 14851 1 20 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.483 0.999 19151 14852 1 20 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.141 0.025 19151 14853 1 20 . 1 1 36 36 PHE H H 36 9.164 9.164 9.132 0.032 19151 14854 1 20 . 1 1 37 37 GLU N N 37 123.516 123.516 124.205 -0.689 19151 14855 1 20 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.395 0.075 19151 14856 1 20 . 1 1 37 37 GLU C C 37 175.954 175.954 176.077 -0.123 19151 14857 1 20 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.185 -0.466 19151 14858 1 20 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.745 0.715 19151 14859 1 20 . 1 1 37 37 GLU H H 37 8.455 8.455 8.680 -0.225 19151 14860 1 20 . 1 1 38 38 ASP N N 38 120.395 120.395 122.283 -1.888 19151 14861 1 20 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.434 0.399 19151 14862 1 20 . 1 1 38 38 ASP C C 38 173.920 173.920 174.618 -0.698 19151 14863 1 20 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.231 0.246 19151 14864 1 20 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.526 0.078 19151 14865 1 20 . 1 1 38 38 ASP H H 38 9.602 9.602 8.744 0.858 19151 14866 1 20 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.603 0.077 19151 14867 1 20 . 1 1 39 39 PRO C C 39 176.274 176.274 176.192 0.082 19151 14868 1 20 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.466 -0.482 19151 14869 1 20 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.156 1.244 19151 14870 1 20 . 1 1 40 40 GLU N N 40 119.026 119.026 120.814 -1.788 19151 14871 1 20 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.503 0.225 19151 14872 1 20 . 1 1 40 40 GLU C C 40 177.827 177.827 178.696 -0.869 19151 14873 1 20 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.529 -0.559 19151 14874 1 20 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.268 2.132 19151 14875 1 20 . 1 1 40 40 GLU H H 40 9.178 9.178 8.732 0.446 19151 14876 1 20 . 1 1 41 41 LEU N N 41 123.708 123.708 123.904 -0.196 19151 14877 1 20 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.261 -0.367 19151 14878 1 20 . 1 1 41 41 LEU C C 41 178.730 178.730 177.537 1.193 19151 14879 1 20 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.457 0.950 19151 14880 1 20 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.702 -0.049 19151 14881 1 20 . 1 1 41 41 LEU H H 41 9.160 9.160 8.666 0.494 19151 14882 1 20 . 1 1 42 42 SER N N 42 110.500 110.500 113.953 -3.453 19151 14883 1 20 . 1 1 42 42 SER HA H 42 4.010 4.010 4.241 -0.231 19151 14884 1 20 . 1 1 42 42 SER C C 42 176.300 176.300 175.227 1.073 19151 14885 1 20 . 1 1 42 42 SER CA C 42 61.600 61.600 60.867 0.733 19151 14886 1 20 . 1 1 42 42 SER CB C 42 62.140 62.140 62.882 -0.742 19151 14887 1 20 . 1 1 42 42 SER H H 42 8.415 8.415 8.534 -0.119 19151 14888 1 20 . 1 1 43 43 ASP N N 43 119.770 119.770 120.915 -1.145 19151 14889 1 20 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.615 -0.158 19151 14890 1 20 . 1 1 43 43 ASP C C 43 176.150 176.150 176.366 -0.216 19151 14891 1 20 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.874 0.876 19151 14892 1 20 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.838 1.862 19151 14893 1 20 . 1 1 43 43 ASP H H 43 7.690 7.690 8.102 -0.412 19151 14894 1 20 . 1 1 44 44 TRP N N 44 118.500 118.500 121.221 -2.721 19151 14895 1 20 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.526 -0.316 19151 14896 1 20 . 1 1 44 44 TRP C C 44 177.150 177.150 177.738 -0.588 19151 14897 1 20 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.371 1.016 19151 14898 1 20 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.352 -0.042 19151 14899 1 20 . 1 1 44 44 TRP H H 44 7.464 7.464 7.318 0.146 19151 14900 1 20 . 1 1 45 45 LEU N N 45 114.100 114.100 121.037 -6.937 19151 14901 1 20 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.033 0.142 19151 14902 1 20 . 1 1 45 45 LEU C C 45 176.300 176.300 175.994 0.306 19151 14903 1 20 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.451 -0.891 19151 14904 1 20 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.286 -0.066 19151 14905 1 20 . 1 1 45 45 LEU H H 45 7.550 7.550 8.564 -1.014 19151 14906 1 20 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.223 0.157 19151 14907 1 20 . 1 1 46 46 PRO C C 46 176.799 176.799 177.272 -0.473 19151 14908 1 20 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.693 0.594 19151 14909 1 20 . 1 1 46 46 PRO CB C 46 31.600 31.600 30.878 0.722 19151 14910 1 20 . 1 1 47 47 TYR N N 47 113.790 113.790 117.870 -4.080 19151 14911 1 20 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.619 -0.499 19151 14912 1 20 . 1 1 47 47 TYR C C 47 175.730 175.730 178.039 -2.309 19151 14913 1 20 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.254 1.946 19151 14914 1 20 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.676 0.340 19151 14915 1 20 . 1 1 47 47 TYR H H 47 8.291 8.291 8.276 0.015 19151 14916 1 20 . 1 1 48 48 GLN N N 48 116.524 116.524 120.779 -4.255 19151 14917 1 20 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.920 -0.035 19151 14918 1 20 . 1 1 48 48 GLN C C 48 174.381 174.381 176.016 -1.635 19151 14919 1 20 . 1 1 48 48 GLN CA C 48 59.826 59.826 60.124 -0.298 19151 14920 1 20 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.745 2.255 19151 14921 1 20 . 1 1 48 48 GLN H H 48 7.300 7.300 7.516 -0.216 19151 14922 1 20 . 1 1 49 49 ASP N N 49 114.657 114.657 113.394 1.263 19151 14923 1 20 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.739 -0.052 19151 14924 1 20 . 1 1 49 49 ASP C C 49 176.307 176.307 175.352 0.955 19151 14925 1 20 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.580 -1.845 19151 14926 1 20 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.320 -1.120 19151 14927 1 20 . 1 1 49 49 ASP H H 49 7.854 7.854 8.311 -0.457 19151 14928 1 20 . 1 1 50 50 LYS N N 50 123.514 123.514 118.508 5.006 19151 14929 1 20 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.591 -0.001 19151 14930 1 20 . 1 1 50 50 LYS C C 50 172.964 172.964 175.128 -2.164 19151 14931 1 20 . 1 1 50 50 LYS CA C 50 54.693 54.693 54.921 -0.228 19151 14932 1 20 . 1 1 50 50 LYS CB C 50 33.500 33.500 36.236 -2.736 19151 14933 1 20 . 1 1 50 50 LYS H H 50 7.833 7.833 7.621 0.212 19151 14934 1 20 . 1 1 51 51 TYR N N 51 118.375 118.375 116.039 2.336 19151 14935 1 20 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.750 0.305 19151 14936 1 20 . 1 1 51 51 TYR C C 51 175.875 175.875 176.363 -0.488 19151 14937 1 20 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.482 0.939 19151 14938 1 20 . 1 1 51 51 TYR CB C 51 42.477 42.477 40.742 1.735 19151 14939 1 20 . 1 1 51 51 TYR H H 51 7.745 7.745 7.736 0.009 19151 14940 1 20 . 1 1 52 52 VAL N N 52 112.527 112.527 114.101 -1.574 19151 14941 1 20 . 1 1 52 52 VAL HA H 52 5.500 5.500 5.091 0.409 19151 14942 1 20 . 1 1 52 52 VAL C C 52 173.910 173.910 174.061 -0.151 19151 14943 1 20 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.101 -1.405 19151 14944 1 20 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.585 0.907 19151 14945 1 20 . 1 1 52 52 VAL H H 52 8.673 8.673 8.276 0.397 19151 14946 1 20 . 1 1 53 53 LEU N N 53 124.294 124.294 123.180 1.114 19151 14947 1 20 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.221 -0.321 19151 14948 1 20 . 1 1 53 53 LEU C C 53 175.070 175.070 174.578 0.492 19151 14949 1 20 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.612 -1.046 19151 14950 1 20 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.561 -1.331 19151 14951 1 20 . 1 1 53 53 LEU H H 53 9.137 9.137 9.168 -0.031 19151 14952 1 20 . 1 1 54 54 VAL N N 54 127.850 127.850 127.199 0.651 19151 14953 1 20 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.668 -0.158 19151 14954 1 20 . 1 1 54 54 VAL C C 54 174.030 174.030 174.351 -0.321 19151 14955 1 20 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.593 0.232 19151 14956 1 20 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.441 -0.750 19151 14957 1 20 . 1 1 54 54 VAL H H 54 8.619 8.619 9.167 -0.548 19151 14958 1 20 . 1 1 55 55 VAL N N 55 127.181 127.181 128.220 -1.039 19151 14959 1 20 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.688 0.397 19151 14960 1 20 . 1 1 55 55 VAL C C 55 174.942 174.942 174.397 0.545 19151 14961 1 20 . 1 1 55 55 VAL CA C 55 60.069 60.069 61.362 -1.294 19151 14962 1 20 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.412 -0.190 19151 14963 1 20 . 1 1 55 55 VAL H H 55 8.578 8.578 8.913 -0.335 19151 14964 1 20 . 1 1 56 56 THR N N 56 117.420 117.420 122.930 -5.510 19151 14965 1 20 . 1 1 56 56 THR HA H 56 5.590 5.590 4.993 0.597 19151 14966 1 20 . 1 1 56 56 THR C C 56 172.640 172.640 172.713 -0.073 19151 14967 1 20 . 1 1 56 56 THR CA C 56 59.359 59.359 60.378 -1.019 19151 14968 1 20 . 1 1 56 56 THR CB C 56 70.715 70.715 70.393 0.322 19151 14969 1 20 . 1 1 56 56 THR H H 56 8.710 8.710 9.001 -0.291 19151 14970 1 20 . 1 1 57 57 SER HA H 57 5.250 5.250 5.064 0.186 19151 14971 1 20 . 1 1 57 57 SER CA C 57 57.730 57.730 56.729 1.001 19151 14972 1 20 . 1 1 57 57 SER CB C 57 64.500 64.500 64.498 0.002 19151 14973 1 20 . 1 1 57 57 SER H H 57 8.075 8.075 8.307 -0.232 19151 14974 1 20 . 1 1 58 58 THR H H 58 7.900 7.900 8.281 -0.381 19151 14975 1 20 . 1 1 59 59 THR HA H 59 4.900 4.900 4.040 0.860 19151 14976 1 20 . 1 1 59 59 THR CA C 59 61.200 61.200 66.195 -4.995 19151 14977 1 20 . 1 1 59 59 THR CB C 59 73.400 73.400 69.329 4.071 19151 14978 1 20 . 1 1 59 59 THR H H 59 9.230 9.230 7.743 1.487 19151 14979 1 20 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.835 0.665 19151 14980 1 20 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.281 0.125 19151 14981 1 20 . 1 1 61 61 GLN C C 61 175.950 175.950 176.619 -0.669 19151 14982 1 20 . 1 1 61 61 GLN CA C 61 55.350 55.350 55.331 0.019 19151 14983 1 20 . 1 1 61 61 GLN CB C 61 29.160 29.160 28.868 0.292 19151 14984 1 20 . 1 1 62 62 GLY N N 62 108.420 108.420 108.392 0.028 19151 14985 1 20 . 1 1 62 62 GLY C C 62 173.134 173.134 173.711 -0.577 19151 14986 1 20 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.953 0.831 19151 14987 1 20 . 1 1 62 62 GLY H H 62 8.073 8.073 8.162 -0.089 19151 14988 1 20 . 1 1 63 63 ASP N N 63 118.400 118.400 118.505 -0.105 19151 14989 1 20 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.861 -0.081 19151 14990 1 20 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.078 1.218 19151 14991 1 20 . 1 1 63 63 ASP CB C 63 42.740 42.740 43.279 -0.539 19151 14992 1 20 . 1 1 63 63 ASP H H 63 7.248 7.248 8.225 -0.977 19151 14993 1 20 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.556 -0.156 19151 14994 1 20 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.678 1.472 19151 14995 1 20 . 1 1 64 64 LEU CB C 64 41.687 41.687 44.004 -2.317 19151 14996 1 20 . 1 1 64 64 LEU H H 64 8.445 8.445 7.979 0.466 19151 14997 1 20 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.390 -0.097 19151 14998 1 20 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.726 -0.382 19151 14999 1 20 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.502 -0.022 19151 15000 1 20 . 1 1 66 66 ASP N N 66 121.200 121.200 121.151 0.049 19151 15001 1 20 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.283 -0.023 19151 15002 1 20 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.517 1.113 19151 15003 1 20 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.654 0.146 19151 15004 1 20 . 1 1 66 66 ASP H H 66 8.605 8.605 8.931 -0.326 19151 15005 1 20 . 1 1 67 67 SER HA H 67 4.292 4.292 4.424 -0.132 19151 15006 1 20 . 1 1 67 67 SER C C 67 175.650 175.650 174.872 0.778 19151 15007 1 20 . 1 1 67 67 SER CA C 67 60.500 60.500 60.051 0.449 19151 15008 1 20 . 1 1 67 67 SER CB C 67 63.530 63.530 63.729 -0.199 19151 15009 1 20 . 1 1 68 68 ILE N N 68 120.550 120.550 120.273 0.277 19151 15010 1 20 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.471 0.639 19151 15011 1 20 . 1 1 68 68 ILE C C 68 174.713 174.713 176.349 -1.636 19151 15012 1 20 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.798 -0.398 19151 15013 1 20 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.830 3.410 19151 15014 1 20 . 1 1 68 68 ILE H H 68 7.870 7.870 7.621 0.249 19151 15015 1 20 . 1 1 69 69 VAL N N 69 125.740 125.740 123.526 2.214 19151 15016 1 20 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.793 -0.048 19151 15017 1 20 . 1 1 69 69 VAL C C 69 174.500 174.500 174.911 -0.411 19151 15018 1 20 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.210 -0.660 19151 15019 1 20 . 1 1 69 69 VAL CB C 69 30.130 30.130 28.747 1.383 19151 15020 1 20 . 1 1 69 69 VAL H H 69 7.428 7.428 8.537 -1.109 19151 15021 1 20 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.318 -0.026 19151 15022 1 20 . 1 1 70 70 PRO C C 70 180.820 180.820 179.114 1.706 19151 15023 1 20 . 1 1 70 70 PRO CA C 70 66.470 66.470 65.931 0.539 19151 15024 1 20 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.202 -0.545 19151 15025 1 20 . 1 1 71 71 LEU N N 71 119.467 119.467 120.787 -1.320 19151 15026 1 20 . 1 1 71 71 LEU HA H 71 3.845 3.845 3.964 -0.119 19151 15027 1 20 . 1 1 71 71 LEU C C 71 176.489 176.489 178.090 -1.601 19151 15028 1 20 . 1 1 71 71 LEU CA C 71 58.207 58.207 58.189 0.018 19151 15029 1 20 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.664 -0.178 19151 15030 1 20 . 1 1 71 71 LEU H H 71 7.918 7.918 7.738 0.180 19151 15031 1 20 . 1 1 72 72 PHE N N 72 119.361 119.361 119.163 0.198 19151 15032 1 20 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.333 -0.188 19151 15033 1 20 . 1 1 72 72 PHE C C 72 175.968 175.968 177.159 -1.191 19151 15034 1 20 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.649 0.172 19151 15035 1 20 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.612 0.935 19151 15036 1 20 . 1 1 72 72 PHE H H 72 7.903 7.903 8.590 -0.687 19151 15037 1 20 . 1 1 73 73 GLN N N 73 116.100 116.100 116.880 -0.780 19151 15038 1 20 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.789 -0.262 19151 15039 1 20 . 1 1 73 73 GLN C C 73 177.871 177.871 178.713 -0.842 19151 15040 1 20 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.786 -0.646 19151 15041 1 20 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.143 0.003 19151 15042 1 20 . 1 1 73 73 GLN H H 73 9.042 9.042 8.664 0.378 19151 15043 1 20 . 1 1 74 74 GLY N N 74 107.110 107.110 108.111 -1.001 19151 15044 1 20 . 1 1 74 74 GLY C C 74 175.894 175.894 176.471 -0.577 19151 15045 1 20 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.698 0.582 19151 15046 1 20 . 1 1 74 74 GLY H H 74 8.045 8.045 8.145 -0.100 19151 15047 1 20 . 1 1 75 75 ILE N N 75 123.629 123.629 122.813 0.816 19151 15048 1 20 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.387 -0.337 19151 15049 1 20 . 1 1 75 75 ILE C C 75 178.622 178.622 176.994 1.628 19151 15050 1 20 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.790 0.467 19151 15051 1 20 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.426 0.542 19151 15052 1 20 . 1 1 75 75 ILE H H 75 8.174 8.174 8.124 0.050 19151 15053 1 20 . 1 1 76 76 LYS N N 76 119.363 119.363 118.348 1.015 19151 15054 1 20 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.812 -0.507 19151 15055 1 20 . 1 1 76 76 LYS C C 76 177.909 177.909 178.156 -0.247 19151 15056 1 20 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.172 0.533 19151 15057 1 20 . 1 1 76 76 LYS CB C 76 32.350 32.350 32.015 0.335 19151 15058 1 20 . 1 1 76 76 LYS H H 76 7.600 7.600 7.414 0.186 19151 15059 1 20 . 1 1 77 77 ASP N N 77 115.190 115.190 117.604 -2.414 19151 15060 1 20 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.608 -0.126 19151 15061 1 20 . 1 1 77 77 ASP C C 77 178.825 178.825 177.921 0.904 19151 15062 1 20 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.847 0.433 19151 15063 1 20 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.917 -0.727 19151 15064 1 20 . 1 1 77 77 ASP H H 77 8.482 8.482 8.196 0.286 19151 15065 1 20 . 1 1 78 78 SER N N 78 112.576 112.576 115.961 -3.385 19151 15066 1 20 . 1 1 78 78 SER HA H 78 4.728 4.728 4.405 0.323 19151 15067 1 20 . 1 1 78 78 SER C C 78 174.556 174.556 175.080 -0.524 19151 15068 1 20 . 1 1 78 78 SER CA C 78 60.045 60.045 60.444 -0.399 19151 15069 1 20 . 1 1 78 78 SER CB C 78 64.643 64.643 63.981 0.662 19151 15070 1 20 . 1 1 78 78 SER H H 78 8.273 8.273 7.897 0.376 19151 15071 1 20 . 1 1 79 79 LEU N N 79 120.833 120.833 120.993 -0.160 19151 15072 1 20 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.398 0.417 19151 15073 1 20 . 1 1 79 79 LEU C C 79 176.251 176.251 178.815 -2.564 19151 15074 1 20 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.654 -2.693 19151 15075 1 20 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.275 -3.079 19151 15076 1 20 . 1 1 79 79 LEU H H 79 7.025 7.025 7.568 -0.543 19151 15077 1 20 . 1 1 80 80 GLY N N 80 108.861 108.861 106.803 2.058 19151 15078 1 20 . 1 1 80 80 GLY C C 80 173.623 173.623 173.615 0.008 19151 15079 1 20 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.437 -0.208 19151 15080 1 20 . 1 1 80 80 GLY H H 80 7.499 7.499 8.060 -0.561 19151 15081 1 20 . 1 1 81 81 PHE N N 81 121.441 121.441 119.929 1.512 19151 15082 1 20 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.655 0.405 19151 15083 1 20 . 1 1 81 81 PHE C C 81 174.411 174.411 172.473 1.938 19151 15084 1 20 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.377 -0.166 19151 15085 1 20 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.668 -1.048 19151 15086 1 20 . 1 1 81 81 PHE H H 81 8.018 8.018 7.520 0.498 19151 15087 1 20 . 1 1 82 82 GLN N N 82 126.480 126.480 122.537 3.943 19151 15088 1 20 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.798 0.092 19151 15089 1 20 . 1 1 82 82 GLN C C 82 172.700 172.700 173.928 -1.228 19151 15090 1 20 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.380 1.797 19151 15091 1 20 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.737 1.863 19151 15092 1 20 . 1 1 82 82 GLN H H 82 9.588 9.588 7.436 2.152 19151 15093 1 20 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.424 -0.051 19151 15094 1 20 . 1 1 83 83 PRO C C 83 178.163 178.163 176.709 1.454 19151 15095 1 20 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.434 -0.743 19151 15096 1 20 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.666 -0.801 19151 15097 1 20 . 1 1 84 84 ASN N N 84 116.900 116.900 115.777 1.123 19151 15098 1 20 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.835 -0.066 19151 15099 1 20 . 1 1 84 84 ASN C C 84 173.332 173.332 173.623 -0.291 19151 15100 1 20 . 1 1 84 84 ASN CA C 84 52.560 52.560 53.106 -0.546 19151 15101 1 20 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.160 -0.900 19151 15102 1 20 . 1 1 84 84 ASN H H 84 8.578 8.578 7.910 0.668 19151 15103 1 20 . 1 1 85 85 LEU N N 85 124.380 124.380 122.953 1.427 19151 15104 1 20 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.452 -0.406 19151 15105 1 20 . 1 1 85 85 LEU C C 85 175.880 175.880 175.340 0.540 19151 15106 1 20 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.776 1.066 19151 15107 1 20 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.029 -0.729 19151 15108 1 20 . 1 1 85 85 LEU H H 85 7.240 7.240 7.689 -0.449 19151 15109 1 20 . 1 1 86 86 ARG N N 86 128.715 128.715 124.913 3.802 19151 15110 1 20 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.047 0.747 19151 15111 1 20 . 1 1 86 86 ARG C C 86 175.554 175.554 174.552 1.002 19151 15112 1 20 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.254 0.188 19151 15113 1 20 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.232 -1.359 19151 15114 1 20 . 1 1 86 86 ARG H H 86 7.732 7.732 8.184 -0.452 19151 15115 1 20 . 1 1 87 87 TYR N N 87 117.420 117.420 119.127 -1.707 19151 15116 1 20 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.682 1.083 19151 15117 1 20 . 1 1 87 87 TYR C C 87 172.931 172.931 173.284 -0.353 19151 15118 1 20 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.465 -1.204 19151 15119 1 20 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.910 3.028 19151 15120 1 20 . 1 1 87 87 TYR H H 87 8.783 8.783 8.210 0.573 19151 15121 1 20 . 1 1 88 88 GLY N N 88 107.765 107.765 105.499 2.266 19151 15122 1 20 . 1 1 88 88 GLY C C 88 172.621 172.621 171.364 1.257 19151 15123 1 20 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.818 1.043 19151 15124 1 20 . 1 1 88 88 GLY H H 88 8.905 8.905 8.563 0.342 19151 15125 1 20 . 1 1 89 89 VAL N N 89 118.180 118.180 116.532 1.648 19151 15126 1 20 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.917 0.084 19151 15127 1 20 . 1 1 89 89 VAL C C 89 172.939 172.939 173.624 -0.685 19151 15128 1 20 . 1 1 89 89 VAL CA C 89 60.999 60.999 59.364 1.635 19151 15129 1 20 . 1 1 89 89 VAL CB C 89 36.398 36.398 34.784 1.614 19151 15130 1 20 . 1 1 89 89 VAL H H 89 7.499 7.499 8.119 -0.620 19151 15131 1 20 . 1 1 90 90 ILE N N 90 125.000 125.000 124.182 0.818 19151 15132 1 20 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.075 0.052 19151 15133 1 20 . 1 1 90 90 ILE C C 90 173.099 173.099 173.686 -0.587 19151 15134 1 20 . 1 1 90 90 ILE CA C 90 60.488 60.488 60.044 0.444 19151 15135 1 20 . 1 1 90 90 ILE CB C 90 40.398 40.398 39.475 0.923 19151 15136 1 20 . 1 1 90 90 ILE H H 90 8.810 8.810 8.842 -0.032 19151 15137 1 20 . 1 1 91 91 ALA N N 91 129.036 129.036 129.960 -0.924 19151 15138 1 20 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.347 -0.021 19151 15139 1 20 . 1 1 91 91 ALA C C 91 174.000 174.000 175.762 -1.762 19151 15140 1 20 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.912 -0.912 19151 15141 1 20 . 1 1 91 91 ALA CB C 91 22.100 22.100 20.826 1.274 19151 15142 1 20 . 1 1 91 91 ALA H H 91 9.253 9.253 8.814 0.439 19151 15143 1 20 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.101 -0.170 19151 15144 1 20 . 1 1 92 92 LEU C C 92 177.366 177.366 176.358 1.008 19151 15145 1 20 . 1 1 92 92 LEU CA C 92 54.917 54.917 53.976 0.941 19151 15146 1 20 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.350 -2.950 19151 15147 1 20 . 1 1 93 93 GLY N N 93 110.663 110.663 106.639 4.024 19151 15148 1 20 . 1 1 93 93 GLY C C 93 172.029 172.029 171.751 0.278 19151 15149 1 20 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.619 0.111 19151 15150 1 20 . 1 1 93 93 GLY H H 93 8.687 8.687 8.330 0.357 19151 15151 1 20 . 1 1 94 94 ASP N N 94 119.304 119.304 119.626 -0.322 19151 15152 1 20 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.348 -0.088 19151 15153 1 20 . 1 1 94 94 ASP C C 94 176.978 176.978 177.948 -0.970 19151 15154 1 20 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.110 1.497 19151 15155 1 20 . 1 1 94 94 ASP CB C 94 43.000 43.000 41.111 1.889 19151 15156 1 20 . 1 1 94 94 ASP H H 94 8.129 8.129 8.450 -0.321 19151 15157 1 20 . 1 1 95 95 SER N N 95 123.897 123.897 119.286 4.611 19151 15158 1 20 . 1 1 95 95 SER HA H 95 3.895 3.895 4.287 -0.392 19151 15159 1 20 . 1 1 95 95 SER C C 95 175.243 175.243 175.451 -0.208 19151 15160 1 20 . 1 1 95 95 SER CA C 95 60.183 60.183 61.016 -0.833 19151 15161 1 20 . 1 1 95 95 SER CB C 95 61.700 61.700 62.824 -1.124 19151 15162 1 20 . 1 1 95 95 SER H H 95 8.878 8.878 9.433 -0.555 19151 15163 1 20 . 1 1 96 96 SER N N 96 119.248 119.248 116.285 2.963 19151 15164 1 20 . 1 1 96 96 SER HA H 96 4.209 4.209 4.219 -0.010 19151 15165 1 20 . 1 1 96 96 SER C C 96 173.900 173.900 174.500 -0.600 19151 15166 1 20 . 1 1 96 96 SER CA C 96 60.197 60.197 60.103 0.094 19151 15167 1 20 . 1 1 96 96 SER CB C 96 63.000 63.000 63.420 -0.420 19151 15168 1 20 . 1 1 96 96 SER H H 96 9.124 9.124 8.399 0.725 19151 15169 1 20 . 1 1 97 97 TYR N N 97 120.889 120.889 119.337 1.552 19151 15170 1 20 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.593 0.295 19151 15171 1 20 . 1 1 97 97 TYR C C 97 175.972 175.972 175.301 0.671 19151 15172 1 20 . 1 1 97 97 TYR CA C 97 55.750 55.750 56.958 -1.208 19151 15173 1 20 . 1 1 97 97 TYR CB C 97 39.820 39.820 40.136 -0.317 19151 15174 1 20 . 1 1 97 97 TYR H H 97 7.664 7.664 7.820 -0.156 19151 15175 1 20 . 1 1 98 98 VAL N N 98 116.952 116.952 118.705 -1.753 19151 15176 1 20 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.993 0.067 19151 15177 1 20 . 1 1 98 98 VAL C C 98 175.969 175.969 176.033 -0.064 19151 15178 1 20 . 1 1 98 98 VAL CA C 98 62.840 62.840 62.631 0.209 19151 15179 1 20 . 1 1 98 98 VAL CB C 98 32.600 32.600 33.143 -0.543 19151 15180 1 20 . 1 1 98 98 VAL H H 98 7.970 7.970 8.306 -0.336 19151 15181 1 20 . 1 1 99 99 ASN N N 99 118.156 118.156 114.769 3.387 19151 15182 1 20 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.379 0.132 19151 15183 1 20 . 1 1 99 99 ASN C C 99 174.329 174.329 175.818 -1.489 19151 15184 1 20 . 1 1 99 99 ASN CA C 99 53.031 53.031 54.502 -1.471 19151 15185 1 20 . 1 1 99 99 ASN CB C 99 37.238 37.238 37.106 0.132 19151 15186 1 20 . 1 1 99 99 ASN H H 99 8.296 8.296 8.631 -0.335 19151 15187 1 20 . 1 1 100 100 PHE N N 100 118.649 118.649 117.567 1.082 19151 15188 1 20 . 1 1 100 100 PHE HA H 100 4.415 4.415 3.937 0.478 19151 15189 1 20 . 1 1 100 100 PHE C C 100 174.400 174.400 175.334 -0.934 19151 15190 1 20 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.364 -3.174 19151 15191 1 20 . 1 1 100 100 PHE CB C 100 39.679 39.679 37.736 1.944 19151 15192 1 20 . 1 1 100 100 PHE H H 100 7.855 7.855 8.352 -0.497 19151 15193 1 20 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.266 -0.681 19151 15194 1 20 . 1 1 101 101 CYS CA C 101 62.740 62.740 56.163 6.577 19151 15195 1 20 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.472 -1.472 19151 15196 1 20 . 1 1 101 101 CYS H H 101 9.240 9.240 7.772 1.468 19151 15197 1 20 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.422 -0.202 19151 15198 1 20 . 1 1 102 102 ASN CA C 102 57.200 57.200 57.110 0.090 19151 15199 1 20 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.254 0.346 19151 15200 1 20 . 1 1 102 102 ASN H H 102 8.300 8.300 8.939 -0.639 19151 15201 1 20 . 1 1 103 103 GLY C C 103 175.690 175.690 175.887 -0.197 19151 15202 1 20 . 1 1 103 103 GLY CA C 103 47.350 47.350 46.802 0.548 19151 15203 1 20 . 1 1 104 104 GLY N N 104 106.150 106.150 108.945 -2.795 19151 15204 1 20 . 1 1 104 104 GLY C C 104 174.570 174.570 175.990 -1.420 19151 15205 1 20 . 1 1 104 104 GLY CA C 104 47.350 47.350 45.815 1.535 19151 15206 1 20 . 1 1 104 104 GLY H H 104 7.108 7.108 7.846 -0.738 19151 15207 1 20 . 1 1 105 105 LYS N N 105 120.732 120.732 122.314 -1.582 19151 15208 1 20 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.973 -0.036 19151 15209 1 20 . 1 1 105 105 LYS C C 105 179.706 179.706 178.971 0.735 19151 15210 1 20 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.702 0.606 19151 15211 1 20 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.199 -0.402 19151 15212 1 20 . 1 1 105 105 LYS H H 105 7.708 7.708 7.489 0.219 19151 15213 1 20 . 1 1 106 106 GLN N N 106 119.087 119.087 118.231 0.856 19151 15214 1 20 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.119 0.023 19151 15215 1 20 . 1 1 106 106 GLN C C 106 179.418 179.418 178.381 1.037 19151 15216 1 20 . 1 1 106 106 GLN CA C 106 58.875 58.875 59.024 -0.149 19151 15217 1 20 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.639 0.120 19151 15218 1 20 . 1 1 106 106 GLN H H 106 8.738 8.738 8.731 0.007 19151 15219 1 20 . 1 1 107 107 PHE N N 107 123.088 123.088 119.329 3.759 19151 15220 1 20 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.290 -0.040 19151 15221 1 20 . 1 1 107 107 PHE C C 107 178.403 178.403 177.658 0.745 19151 15222 1 20 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.765 0.420 19151 15223 1 20 . 1 1 107 107 PHE CB C 107 39.451 39.451 39.102 0.349 19151 15224 1 20 . 1 1 107 107 PHE H H 107 7.922 7.922 7.938 -0.016 19151 15225 1 20 . 1 1 108 108 ASP N N 108 117.118 117.118 120.529 -3.411 19151 15226 1 20 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.564 -0.190 19151 15227 1 20 . 1 1 108 108 ASP C C 108 176.973 176.973 178.101 -1.128 19151 15228 1 20 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.909 0.520 19151 15229 1 20 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.044 3.079 19151 15230 1 20 . 1 1 108 108 ASP H H 108 8.305 8.305 8.019 0.286 19151 15231 1 20 . 1 1 109 109 ALA N N 109 118.590 118.590 122.392 -3.802 19151 15232 1 20 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.108 -0.058 19151 15233 1 20 . 1 1 109 109 ALA C C 109 180.430 180.430 179.717 0.713 19151 15234 1 20 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.010 0.186 19151 15235 1 20 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.386 -0.279 19151 15236 1 20 . 1 1 109 109 ALA H H 109 8.332 8.332 8.212 0.120 19151 15237 1 20 . 1 1 110 110 LEU N N 110 120.402 120.402 120.110 0.292 19151 15238 1 20 . 1 1 110 110 LEU HA H 110 4.085 4.085 4.050 0.035 19151 15239 1 20 . 1 1 110 110 LEU C C 110 177.801 177.801 179.007 -1.206 19151 15240 1 20 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.554 0.086 19151 15241 1 20 . 1 1 110 110 LEU CB C 110 41.756 41.756 41.033 0.723 19151 15242 1 20 . 1 1 110 110 LEU H H 110 7.868 7.868 7.610 0.258 19151 15243 1 20 . 1 1 111 111 LEU N N 111 116.945 116.945 116.702 0.243 19151 15244 1 20 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.800 -0.082 19151 15245 1 20 . 1 1 111 111 LEU C C 111 179.838 179.838 179.125 0.713 19151 15246 1 20 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.736 0.229 19151 15247 1 20 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.254 -2.394 19151 15248 1 20 . 1 1 111 111 LEU H H 111 7.704 7.704 7.454 0.250 19151 15249 1 20 . 1 1 112 112 GLN N N 112 118.484 118.484 116.361 2.123 19151 15250 1 20 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.124 0.017 19151 15251 1 20 . 1 1 112 112 GLN C C 112 181.218 181.218 178.090 3.128 19151 15252 1 20 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.480 1.486 19151 15253 1 20 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.233 1.027 19151 15254 1 20 . 1 1 112 112 GLN H H 112 8.441 8.441 7.838 0.603 19151 15255 1 20 . 1 1 113 113 GLU N N 113 122.905 122.905 117.596 5.309 19151 15256 1 20 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.147 0.034 19151 15257 1 20 . 1 1 113 113 GLU C C 113 178.001 178.001 177.305 0.696 19151 15258 1 20 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.892 1.093 19151 15259 1 20 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.526 -0.256 19151 15260 1 20 . 1 1 113 113 GLU H H 113 8.305 8.305 7.933 0.372 19151 15261 1 20 . 1 1 114 114 GLN N N 114 117.332 117.332 118.914 -1.582 19151 15262 1 20 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.349 0.246 19151 15263 1 20 . 1 1 114 114 GLN C C 114 174.538 174.538 177.005 -2.467 19151 15264 1 20 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.475 -1.058 19151 15265 1 20 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.800 -4.971 19151 15266 1 20 . 1 1 114 114 GLN H H 114 7.520 7.520 7.581 -0.061 19151 15267 1 20 . 1 1 115 115 SER N N 115 109.100 109.100 109.502 -0.402 19151 15268 1 20 . 1 1 115 115 SER HA H 115 4.200 4.200 4.447 -0.247 19151 15269 1 20 . 1 1 115 115 SER C C 115 172.302 172.302 173.929 -1.627 19151 15270 1 20 . 1 1 115 115 SER CA C 115 60.400 60.400 58.411 1.989 19151 15271 1 20 . 1 1 115 115 SER CB C 115 61.325 61.325 64.401 -3.076 19151 15272 1 20 . 1 1 115 115 SER H H 115 7.950 7.950 8.103 -0.153 19151 15273 1 20 . 1 1 116 116 ALA N N 116 121.059 121.059 125.982 -4.923 19151 15274 1 20 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.238 0.556 19151 15275 1 20 . 1 1 116 116 ALA C C 116 176.774 176.774 176.461 0.313 19151 15276 1 20 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.656 -0.966 19151 15277 1 20 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.277 1.088 19151 15278 1 20 . 1 1 116 116 ALA H H 116 7.813 7.813 7.572 0.241 19151 15279 1 20 . 1 1 117 117 GLN N N 117 118.000 118.000 118.742 -0.742 19151 15280 1 20 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.593 0.025 19151 15281 1 20 . 1 1 117 117 GLN C C 117 173.769 173.769 175.625 -1.856 19151 15282 1 20 . 1 1 117 117 GLN CA C 117 54.556 54.556 55.315 -0.759 19151 15283 1 20 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.229 -0.494 19151 15284 1 20 . 1 1 117 117 GLN H H 117 8.591 8.591 8.781 -0.190 19151 15285 1 20 . 1 1 118 118 ARG N N 118 127.947 127.947 119.927 8.020 19151 15286 1 20 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.267 -1.959 19151 15287 1 20 . 1 1 118 118 ARG C C 118 176.758 176.758 175.197 1.561 19151 15288 1 20 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.720 1.466 19151 15289 1 20 . 1 1 118 118 ARG CB C 118 30.310 30.310 33.514 -3.204 19151 15290 1 20 . 1 1 118 118 ARG H H 118 8.659 8.659 8.493 0.166 19151 15291 1 20 . 1 1 119 119 VAL N N 119 131.939 131.939 121.859 10.080 19151 15292 1 20 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.341 -0.228 19151 15293 1 20 . 1 1 119 119 VAL C C 119 176.775 176.775 176.136 0.639 19151 15294 1 20 . 1 1 119 119 VAL CA C 119 62.174 62.174 60.849 1.325 19151 15295 1 20 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.897 -1.503 19151 15296 1 20 . 1 1 119 119 VAL H H 119 9.520 9.520 8.861 0.659 19151 15297 1 20 . 1 1 120 120 GLY N N 120 116.074 116.074 116.485 -0.411 19151 15298 1 20 . 1 1 120 120 GLY C C 120 172.757 172.757 173.602 -0.845 19151 15299 1 20 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.535 -1.637 19151 15300 1 20 . 1 1 120 120 GLY H H 120 8.755 8.755 8.328 0.427 19151 15301 1 20 . 1 1 121 121 GLU N N 121 118.754 118.754 121.285 -2.531 19151 15302 1 20 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.781 -0.115 19151 15303 1 20 . 1 1 121 121 GLU C C 121 177.419 177.419 176.903 0.516 19151 15304 1 20 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.948 -0.457 19151 15305 1 20 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.994 0.504 19151 15306 1 20 . 1 1 121 121 GLU H H 121 8.594 8.594 8.425 0.169 19151 15307 1 20 . 1 1 122 122 MET N N 122 122.642 122.642 122.321 0.321 19151 15308 1 20 . 1 1 122 122 MET HA H 122 4.415 4.415 4.870 -0.455 19151 15309 1 20 . 1 1 122 122 MET C C 122 175.351 175.351 174.938 0.413 19151 15310 1 20 . 1 1 122 122 MET CA C 122 57.024 57.024 54.885 2.139 19151 15311 1 20 . 1 1 122 122 MET CB C 122 34.210 34.210 33.312 0.898 19151 15312 1 20 . 1 1 122 122 MET H H 122 8.892 8.892 8.542 0.350 19151 15313 1 20 . 1 1 123 123 LEU N N 123 129.535 129.535 122.437 7.098 19151 15314 1 20 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.361 -0.011 19151 15315 1 20 . 1 1 123 123 LEU C C 123 173.124 173.124 174.245 -1.121 19151 15316 1 20 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.185 0.554 19151 15317 1 20 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.352 -1.274 19151 15318 1 20 . 1 1 123 123 LEU H H 123 7.868 7.868 7.651 0.217 19151 15319 1 20 . 1 1 124 124 LEU N N 124 127.120 127.120 125.929 1.191 19151 15320 1 20 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.738 0.317 19151 15321 1 20 . 1 1 124 124 LEU C C 124 176.379 176.379 176.100 0.279 19151 15322 1 20 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.211 0.339 19151 15323 1 20 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.726 -1.348 19151 15324 1 20 . 1 1 124 124 LEU H H 124 8.346 8.346 8.175 0.171 19151 15325 1 20 . 1 1 125 125 ILE N N 125 124.337 124.337 124.622 -0.285 19151 15326 1 20 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.277 -0.097 19151 15327 1 20 . 1 1 125 125 ILE C C 125 174.303 174.303 174.719 -0.416 19151 15328 1 20 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.578 0.522 19151 15329 1 20 . 1 1 125 125 ILE CB C 125 39.943 39.943 41.113 -1.170 19151 15330 1 20 . 1 1 125 125 ILE H H 125 8.974 8.974 8.595 0.380 19151 15331 1 20 . 1 1 126 126 ASP N N 126 127.113 127.113 127.720 -0.607 19151 15332 1 20 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.608 -0.493 19151 15333 1 20 . 1 1 126 126 ASP C C 126 176.766 176.766 176.609 0.157 19151 15334 1 20 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.129 -0.282 19151 15335 1 20 . 1 1 126 126 ASP CB C 126 41.100 41.100 41.770 -0.670 19151 15336 1 20 . 1 1 126 126 ASP H H 126 9.397 9.397 8.868 0.529 19151 15337 1 20 . 1 1 127 127 ALA N N 127 131.178 131.178 131.441 -0.263 19151 15338 1 20 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.529 -0.213 19151 15339 1 20 . 1 1 127 127 ALA C C 127 178.530 178.530 178.961 -0.431 19151 15340 1 20 . 1 1 127 127 ALA CA C 127 53.847 53.847 53.966 -0.119 19151 15341 1 20 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.100 -0.308 19151 15342 1 20 . 1 1 127 127 ALA H H 127 9.696 9.696 9.094 0.602 19151 15343 1 20 . 1 1 128 128 SER N N 128 112.064 112.064 112.383 -0.319 19151 15344 1 20 . 1 1 128 128 SER HA H 128 4.224 4.224 4.254 -0.030 19151 15345 1 20 . 1 1 128 128 SER C C 128 175.000 175.000 175.642 -0.642 19151 15346 1 20 . 1 1 128 128 SER CA C 128 61.246 61.246 60.257 0.989 19151 15347 1 20 . 1 1 128 128 SER CB C 128 63.310 63.310 63.341 -0.031 19151 15348 1 20 . 1 1 128 128 SER H H 128 8.373 8.373 8.353 0.020 19151 15349 1 20 . 1 1 129 129 GLU N N 129 119.468 119.468 118.711 0.757 19151 15350 1 20 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.434 -0.034 19151 15351 1 20 . 1 1 129 129 GLU C C 129 175.947 175.947 175.996 -0.049 19151 15352 1 20 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.862 -0.447 19151 15353 1 20 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.822 -0.092 19151 15354 1 20 . 1 1 129 129 GLU H H 129 7.267 7.267 7.528 -0.261 19151 15355 1 20 . 1 1 130 130 ASN N N 130 115.968 115.968 118.385 -2.417 19151 15356 1 20 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.139 0.027 19151 15357 1 20 . 1 1 130 130 ASN C C 130 172.000 172.000 174.014 -2.014 19151 15358 1 20 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.650 -0.427 19151 15359 1 20 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.797 -0.131 19151 15360 1 20 . 1 1 130 130 ASN H H 130 8.072 8.072 8.220 -0.148 19151 15361 1 20 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.482 0.068 19151 15362 1 20 . 1 1 131 131 PRO C C 131 176.400 176.400 176.152 0.248 19151 15363 1 20 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.925 -0.425 19151 15364 1 20 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.600 0.700 19151 15365 1 20 . 1 1 132 132 GLU N N 132 119.000 119.000 118.922 0.078 19151 15366 1 20 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.811 0.209 19151 15367 1 20 . 1 1 132 132 GLU C C 132 174.200 174.200 175.164 -0.964 19151 15368 1 20 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.230 -0.230 19151 15369 1 20 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.380 0.321 19151 15370 1 20 . 1 1 132 132 GLU H H 132 7.690 7.690 8.048 -0.358 19151 15371 1 20 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.227 -0.227 19151 15372 1 20 . 1 1 133 133 PRO C C 133 177.391 177.391 178.230 -0.839 19151 15373 1 20 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.147 0.322 19151 15374 1 20 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.933 0.212 19151 15375 1 20 . 1 1 134 134 GLU N N 134 122.846 122.846 118.130 4.716 19151 15376 1 20 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.288 0.932 19151 15377 1 20 . 1 1 134 134 GLU C C 134 178.385 178.385 178.854 -0.469 19151 15378 1 20 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.075 -1.482 19151 15379 1 20 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.678 -2.088 19151 15380 1 20 . 1 1 134 134 GLU H H 134 10.707 10.707 8.812 1.895 19151 15381 1 20 . 1 1 135 135 THR N N 135 113.016 113.016 111.682 1.334 19151 15382 1 20 . 1 1 135 135 THR HA H 135 4.182 4.182 4.232 -0.050 19151 15383 1 20 . 1 1 135 135 THR C C 135 176.460 176.460 175.354 1.106 19151 15384 1 20 . 1 1 135 135 THR CA C 135 64.752 64.752 65.011 -0.259 19151 15385 1 20 . 1 1 135 135 THR CB C 135 69.248 69.248 68.887 0.361 19151 15386 1 20 . 1 1 135 135 THR H H 135 8.168 8.168 8.179 -0.011 19151 15387 1 20 . 1 1 136 136 GLU N N 136 118.978 118.978 121.385 -2.407 19151 15388 1 20 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.521 0.043 19151 15389 1 20 . 1 1 136 136 GLU C C 136 178.370 178.370 178.581 -0.211 19151 15390 1 20 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.036 -1.123 19151 15391 1 20 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.856 1.244 19151 15392 1 20 . 1 1 136 136 GLU H H 136 7.680 7.680 7.716 -0.036 19151 15393 1 20 . 1 1 137 137 SER N N 137 116.501 116.501 115.945 0.556 19151 15394 1 20 . 1 1 137 137 SER HA H 137 4.033 4.033 4.265 -0.232 19151 15395 1 20 . 1 1 137 137 SER C C 137 175.670 175.670 176.708 -1.038 19151 15396 1 20 . 1 1 137 137 SER CA C 137 62.330 62.330 61.909 0.421 19151 15397 1 20 . 1 1 137 137 SER CB C 137 61.380 61.380 63.137 -1.757 19151 15398 1 20 . 1 1 137 137 SER H H 137 8.824 8.824 8.485 0.339 19151 15399 1 20 . 1 1 138 138 ASN N N 138 123.517 123.517 121.324 2.193 19151 15400 1 20 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.752 -0.161 19151 15401 1 20 . 1 1 138 138 ASN C C 138 175.700 175.700 175.477 0.223 19151 15402 1 20 . 1 1 138 138 ASN CA C 138 57.486 57.486 56.888 0.598 19151 15403 1 20 . 1 1 138 138 ASN CB C 138 34.253 34.253 35.962 -1.709 19151 15404 1 20 . 1 1 138 138 ASN H H 138 8.564 8.564 8.305 0.259 19151 15405 1 20 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.407 0.048 19151 15406 1 20 . 1 1 139 139 PRO C C 139 180.033 180.033 178.769 1.264 19151 15407 1 20 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.469 0.141 19151 15408 1 20 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.511 -0.975 19151 15409 1 20 . 1 1 140 140 TRP N N 140 119.700 119.700 122.060 -2.360 19151 15410 1 20 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.463 -0.130 19151 15411 1 20 . 1 1 140 140 TRP C C 140 179.195 179.195 178.073 1.122 19151 15412 1 20 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.940 0.240 19151 15413 1 20 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.470 1.281 19151 15414 1 20 . 1 1 140 140 TRP H H 140 7.057 7.057 7.600 -0.543 19151 15415 1 20 . 1 1 141 141 VAL N N 141 122.879 122.879 119.001 3.878 19151 15416 1 20 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.572 0.164 19151 15417 1 20 . 1 1 141 141 VAL C C 141 177.416 177.416 178.366 -0.950 19151 15418 1 20 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.113 -0.397 19151 15419 1 20 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.602 -0.170 19151 15420 1 20 . 1 1 141 141 VAL H H 141 9.629 9.629 8.834 0.795 19151 15421 1 20 . 1 1 142 142 GLU N N 142 119.965 119.965 119.757 0.208 19151 15422 1 20 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.046 -0.314 19151 15423 1 20 . 1 1 142 142 GLU C C 142 178.800 178.800 178.549 0.251 19151 15424 1 20 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.201 0.131 19151 15425 1 20 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.667 -0.107 19151 15426 1 20 . 1 1 142 142 GLU H H 142 8.551 8.551 8.138 0.413 19151 15427 1 20 . 1 1 143 143 HIS N N 143 115.364 115.364 118.331 -2.967 19151 15428 1 20 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.419 -0.129 19151 15429 1 20 . 1 1 143 143 HIS C C 143 177.840 177.840 176.580 1.260 19151 15430 1 20 . 1 1 143 143 HIS CA C 143 59.363 59.363 59.416 -0.053 19151 15431 1 20 . 1 1 143 143 HIS CB C 143 29.362 29.362 30.103 -0.741 19151 15432 1 20 . 1 1 143 143 HIS H H 143 7.380 7.380 7.696 -0.316 19151 15433 1 20 . 1 1 144 144 TRP N N 144 126.680 126.680 122.386 4.294 19151 15434 1 20 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.966 -0.632 19151 15435 1 20 . 1 1 144 144 TRP C C 144 178.200 178.200 178.370 -0.170 19151 15436 1 20 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.825 2.135 19151 15437 1 20 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.421 0.104 19151 15438 1 20 . 1 1 144 144 TRP H H 144 9.215 9.215 8.594 0.621 19151 15439 1 20 . 1 1 145 145 GLY N N 145 100.130 100.130 105.441 -5.311 19151 15440 1 20 . 1 1 145 145 GLY C C 145 177.391 177.391 175.426 1.965 19151 15441 1 20 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.094 -0.335 19151 15442 1 20 . 1 1 145 145 GLY H H 145 8.834 8.834 8.699 0.135 19151 15443 1 20 . 1 1 146 146 THR N N 146 110.831 110.831 113.093 -2.262 19151 15444 1 20 . 1 1 146 146 THR HA H 146 4.319 4.319 4.055 0.264 19151 15445 1 20 . 1 1 146 146 THR C C 146 175.574 175.574 175.465 0.109 19151 15446 1 20 . 1 1 146 146 THR CA C 146 63.260 63.260 64.334 -1.074 19151 15447 1 20 . 1 1 146 146 THR CB C 146 69.660 69.660 68.583 1.077 19151 15448 1 20 . 1 1 146 146 THR H H 146 7.594 7.594 7.552 0.042 19151 15449 1 20 . 1 1 147 147 LEU N N 147 120.678 120.678 119.798 0.880 19151 15450 1 20 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.163 -0.105 19151 15451 1 20 . 1 1 147 147 LEU C C 147 177.176 177.176 176.155 1.021 19151 15452 1 20 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.563 -1.250 19151 15453 1 20 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.356 -0.128 19151 15454 1 20 . 1 1 147 147 LEU H H 147 7.458 7.458 7.531 -0.073 19151 15455 1 20 . 1 1 148 148 LEU N N 148 117.062 117.062 118.092 -1.030 19151 15456 1 20 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.889 -0.171 19151 15457 1 20 . 1 1 148 148 LEU C C 148 175.570 175.570 177.287 -1.717 19151 15458 1 20 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.442 -0.491 19151 15459 1 20 . 1 1 148 148 LEU CB C 148 39.600 39.600 40.525 -0.925 19151 15460 1 20 . 1 1 148 148 LEU H H 148 6.482 6.482 7.020 -0.538 19151 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 120 2.767 -0.026 2.779 19151 2 1 1 "Average Difference" HA 154 0.435 -0.002 0.437 19151 3 1 1 "Average Difference" C 132 1.079 0.083 1.080 19151 4 1 1 "Average Difference" CA 141 1.166 -0.116 1.164 19151 5 1 1 "Average Difference" CB 127 1.392 0.034 1.397 19151 6 1 1 "Average Difference" HN 126 0.535 -0.047 0.535 19151 7 1 2 "Average Difference" N 120 2.847 -0.260 2.847 19151 8 1 2 "Average Difference" HA 154 0.420 0.016 0.421 19151 9 1 2 "Average Difference" C 132 1.104 0.039 1.107 19151 10 1 2 "Average Difference" CA 141 1.183 -0.153 1.178 19151 11 1 2 "Average Difference" CB 127 1.411 0.036 1.416 19151 12 1 2 "Average Difference" HN 126 0.558 -0.057 0.558 19151 13 1 3 "Average Difference" N 120 2.693 -0.395 2.675 19151 14 1 3 "Average Difference" HA 154 0.450 -0.021 0.451 19151 15 1 3 "Average Difference" C 132 1.099 0.073 1.101 19151 16 1 3 "Average Difference" CA 141 1.144 -0.119 1.142 19151 17 1 3 "Average Difference" CB 127 1.479 0.032 1.484 19151 18 1 3 "Average Difference" HN 126 0.538 -0.071 0.536 19151 19 1 4 "Average Difference" N 120 2.763 -0.171 2.769 19151 20 1 4 "Average Difference" HA 154 0.436 -0.010 0.437 19151 21 1 4 "Average Difference" C 132 1.066 0.102 1.065 19151 22 1 4 "Average Difference" CA 141 1.089 -0.080 1.090 19151 23 1 4 "Average Difference" CB 127 1.299 0.003 1.304 19151 24 1 4 "Average Difference" HN 126 0.525 -0.078 0.522 19151 25 1 5 "Average Difference" N 120 2.796 -0.202 2.800 19151 26 1 5 "Average Difference" HA 154 0.422 -0.006 0.423 19151 27 1 5 "Average Difference" C 132 1.114 0.073 1.116 19151 28 1 5 "Average Difference" CA 141 1.177 -0.122 1.175 19151 29 1 5 "Average Difference" CB 127 1.377 0.027 1.382 19151 30 1 5 "Average Difference" HN 126 0.547 -0.050 0.547 19151 31 1 6 "Average Difference" N 120 2.865 -0.162 2.872 19151 32 1 6 "Average Difference" HA 154 0.439 -0.019 0.440 19151 33 1 6 "Average Difference" C 132 1.054 0.091 1.054 19151 34 1 6 "Average Difference" CA 141 1.188 0.000 1.192 19151 35 1 6 "Average Difference" CB 127 1.350 -0.003 1.356 19151 36 1 6 "Average Difference" HN 126 0.543 -0.090 0.538 19151 37 1 7 "Average Difference" N 120 2.652 -0.217 2.655 19151 38 1 7 "Average Difference" HA 154 0.435 -0.015 0.437 19151 39 1 7 "Average Difference" C 132 1.133 0.091 1.133 19151 40 1 7 "Average Difference" CA 141 1.101 -0.021 1.105 19151 41 1 7 "Average Difference" CB 127 1.386 0.013 1.391 19151 42 1 7 "Average Difference" HN 126 0.543 -0.055 0.542 19151 43 1 8 "Average Difference" N 120 2.576 -0.221 2.577 19151 44 1 8 "Average Difference" HA 154 0.443 -0.008 0.444 19151 45 1 8 "Average Difference" C 132 1.022 0.090 1.022 19151 46 1 8 "Average Difference" CA 141 1.140 -0.141 1.135 19151 47 1 8 "Average Difference" CB 127 1.425 0.049 1.430 19151 48 1 8 "Average Difference" HN 126 0.539 -0.037 0.540 19151 49 1 9 "Average Difference" N 120 2.872 -0.292 2.869 19151 50 1 9 "Average Difference" HA 154 0.434 -0.021 0.435 19151 51 1 9 "Average Difference" C 132 1.107 0.109 1.106 19151 52 1 9 "Average Difference" CA 141 1.152 -0.033 1.156 19151 53 1 9 "Average Difference" CB 127 1.396 0.021 1.401 19151 54 1 9 "Average Difference" HN 126 0.539 -0.045 0.540 19151 55 1 10 "Average Difference" N 120 2.787 -0.149 2.795 19151 56 1 10 "Average Difference" HA 154 0.441 0.007 0.443 19151 57 1 10 "Average Difference" C 132 1.113 0.092 1.113 19151 58 1 10 "Average Difference" CA 141 1.117 -0.098 1.117 19151 59 1 10 "Average Difference" CB 127 1.438 0.053 1.443 19151 60 1 10 "Average Difference" HN 126 0.548 -0.058 0.547 19151 61 1 11 "Average Difference" N 120 2.683 -0.037 2.694 19151 62 1 11 "Average Difference" HA 154 0.439 -0.003 0.440 19151 63 1 11 "Average Difference" C 132 1.087 0.111 1.085 19151 64 1 11 "Average Difference" CA 141 1.205 -0.081 1.206 19151 65 1 11 "Average Difference" CB 127 1.366 0.055 1.370 19151 66 1 11 "Average Difference" HN 126 0.547 -0.020 0.549 19151 67 1 12 "Average Difference" N 120 2.685 0.002 2.696 19151 68 1 12 "Average Difference" HA 154 0.428 -0.012 0.430 19151 69 1 12 "Average Difference" C 132 1.089 0.074 1.091 19151 70 1 12 "Average Difference" CA 141 1.200 -0.081 1.202 19151 71 1 12 "Average Difference" CB 127 1.383 0.020 1.388 19151 72 1 12 "Average Difference" HN 126 0.539 -0.048 0.539 19151 73 1 13 "Average Difference" N 120 2.617 0.012 2.628 19151 74 1 13 "Average Difference" HA 154 0.429 0.009 0.430 19151 75 1 13 "Average Difference" C 132 1.093 0.115 1.091 19151 76 1 13 "Average Difference" CA 141 1.207 -0.101 1.207 19151 77 1 13 "Average Difference" CB 127 1.397 0.001 1.402 19151 78 1 13 "Average Difference" HN 126 0.525 -0.027 0.526 19151 79 1 14 "Average Difference" N 120 2.765 -0.144 2.773 19151 80 1 14 "Average Difference" HA 154 0.441 -0.006 0.443 19151 81 1 14 "Average Difference" C 132 1.120 0.076 1.121 19151 82 1 14 "Average Difference" CA 141 1.213 -0.077 1.215 19151 83 1 14 "Average Difference" CB 127 1.407 0.051 1.411 19151 84 1 14 "Average Difference" HN 126 0.542 -0.061 0.541 19151 85 1 15 "Average Difference" N 120 2.919 -0.152 2.927 19151 86 1 15 "Average Difference" HA 154 0.429 -0.014 0.430 19151 87 1 15 "Average Difference" C 132 1.048 0.092 1.048 19151 88 1 15 "Average Difference" CA 141 1.043 -0.059 1.045 19151 89 1 15 "Average Difference" CB 127 1.377 -0.074 1.381 19151 90 1 15 "Average Difference" HN 126 0.516 -0.063 0.514 19151 91 1 16 "Average Difference" N 120 2.749 -0.101 2.759 19151 92 1 16 "Average Difference" HA 154 0.443 -0.005 0.444 19151 93 1 16 "Average Difference" C 132 1.097 0.090 1.097 19151 94 1 16 "Average Difference" CA 141 1.133 -0.059 1.136 19151 95 1 16 "Average Difference" CB 127 1.372 0.018 1.377 19151 96 1 16 "Average Difference" HN 126 0.536 -0.055 0.535 19151 97 1 17 "Average Difference" N 120 2.697 -0.297 2.692 19151 98 1 17 "Average Difference" HA 154 0.449 -0.020 0.450 19151 99 1 17 "Average Difference" C 132 1.121 0.072 1.123 19151 100 1 17 "Average Difference" CA 141 1.158 -0.084 1.160 19151 101 1 17 "Average Difference" CB 127 1.395 0.004 1.401 19151 102 1 17 "Average Difference" HN 126 0.556 -0.089 0.551 19151 103 1 18 "Average Difference" N 120 2.682 -0.226 2.684 19151 104 1 18 "Average Difference" HA 154 0.432 -0.009 0.433 19151 105 1 18 "Average Difference" C 132 1.051 0.080 1.052 19151 106 1 18 "Average Difference" CA 141 1.087 -0.059 1.089 19151 107 1 18 "Average Difference" CB 127 1.366 0.014 1.371 19151 108 1 18 "Average Difference" HN 126 0.570 -0.077 0.567 19151 109 1 19 "Average Difference" N 120 2.816 -0.217 2.820 19151 110 1 19 "Average Difference" HA 154 0.437 -0.011 0.438 19151 111 1 19 "Average Difference" C 132 1.088 0.092 1.088 19151 112 1 19 "Average Difference" CA 141 1.189 -0.117 1.187 19151 113 1 19 "Average Difference" CB 127 1.390 -0.025 1.395 19151 114 1 19 "Average Difference" HN 126 0.548 -0.067 0.546 19151 115 1 20 "Average Difference" N 120 2.705 -0.195 2.709 19151 116 1 20 "Average Difference" HA 154 0.433 0.003 0.434 19151 117 1 20 "Average Difference" C 132 1.080 0.109 1.078 19151 118 1 20 "Average Difference" CA 141 1.170 -0.100 1.170 19151 119 1 20 "Average Difference" CB 127 1.386 0.031 1.391 19151 120 1 20 "Average Difference" HN 126 0.534 -0.050 0.534 19151 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 19151 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.621 -0.392 19151 2 1 . 1 1 2 2 ALA C C 2 173.315 173.315 175.204 -1.889 19151 3 1 . 1 1 2 2 ALA CA C 2 51.580 51.580 52.014 -0.434 19151 4 1 . 1 1 2 2 ALA CB C 2 20.223 20.223 21.327 -1.104 19151 5 1 . 1 1 3 3 GLU N N 3 121.874 121.874 120.181 1.693 19151 6 1 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.391 -0.117 19151 7 1 . 1 1 3 3 GLU C C 3 174.545 174.545 175.275 -0.730 19151 8 1 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.353 0.497 19151 9 1 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.422 -0.702 19151 10 1 . 1 1 3 3 GLU H H 3 8.696 8.696 8.509 0.187 19151 11 1 . 1 1 4 4 ILE N N 4 120.672 120.672 125.148 -4.476 19151 12 1 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.773 0.336 19151 13 1 . 1 1 4 4 ILE C C 4 175.463 175.463 174.965 0.498 19151 14 1 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.150 -0.317 19151 15 1 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.218 3.453 19151 16 1 . 1 1 4 4 ILE H H 4 8.860 8.860 9.100 -0.240 19151 17 1 . 1 1 5 5 GLY N N 5 119.310 119.310 114.857 4.453 19151 18 1 . 1 1 5 5 GLY C C 5 171.260 171.260 172.925 -1.665 19151 19 1 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.575 0.245 19151 20 1 . 1 1 5 5 GLY H H 5 8.469 8.469 8.139 0.330 19151 21 1 . 1 1 6 6 ILE N N 6 126.915 126.915 126.195 0.720 19151 22 1 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.066 0.124 19151 23 1 . 1 1 6 6 ILE C C 6 173.901 173.901 174.459 -0.558 19151 24 1 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.647 -0.647 19151 25 1 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.804 -1.805 19151 26 1 . 1 1 6 6 ILE H H 6 9.056 9.056 9.209 -0.153 19151 27 1 . 1 1 7 7 PHE N N 7 127.354 127.354 127.608 -0.254 19151 28 1 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.149 -0.637 19151 29 1 . 1 1 7 7 PHE C C 7 174.230 174.230 174.500 -0.270 19151 30 1 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.504 1.906 19151 31 1 . 1 1 7 7 PHE CB C 7 41.728 41.728 41.024 0.704 19151 32 1 . 1 1 7 7 PHE H H 7 8.960 8.960 9.590 -0.630 19151 33 1 . 1 1 8 8 VAL N N 8 127.270 127.270 124.787 2.483 19151 34 1 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.133 -0.073 19151 35 1 . 1 1 8 8 VAL C C 8 175.450 175.450 175.448 0.002 19151 36 1 . 1 1 8 8 VAL CA C 8 61.200 61.200 59.979 1.221 19151 37 1 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.050 0.387 19151 38 1 . 1 1 8 8 VAL H H 8 8.581 8.581 7.971 0.610 19151 39 1 . 1 1 9 9 GLY N N 9 115.000 115.000 116.944 -1.943 19151 40 1 . 1 1 9 9 GLY C C 9 173.150 173.150 172.607 0.543 19151 41 1 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.508 0.492 19151 42 1 . 1 1 9 9 GLY H H 9 9.393 9.393 8.993 0.400 19151 43 1 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.510 0.185 19151 44 1 . 1 1 12 12 TYR C C 12 176.560 176.560 175.957 0.603 19151 45 1 . 1 1 12 12 TYR CA C 12 57.750 57.750 58.177 -0.427 19151 46 1 . 1 1 12 12 TYR CB C 12 38.000 38.000 39.055 -1.055 19151 47 1 . 1 1 13 13 GLY N N 13 109.870 109.870 110.965 -1.095 19151 48 1 . 1 1 13 13 GLY C C 13 175.930 175.930 174.209 1.721 19151 49 1 . 1 1 13 13 GLY CA C 13 46.000 46.000 45.043 0.957 19151 50 1 . 1 1 13 13 GLY H H 13 8.500 8.500 8.154 0.346 19151 51 1 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.041 0.189 19151 52 1 . 1 1 17 17 LEU C C 17 179.210 179.210 177.850 1.360 19151 53 1 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.573 0.827 19151 54 1 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.627 -0.327 19151 55 1 . 1 1 18 18 VAL N N 18 117.231 117.231 118.507 -1.276 19151 56 1 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.619 -0.296 19151 57 1 . 1 1 18 18 VAL C C 18 178.460 178.460 177.990 0.470 19151 58 1 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.098 0.768 19151 59 1 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.985 0.475 19151 60 1 . 1 1 18 18 VAL H H 18 7.645 7.645 7.878 -0.233 19151 61 1 . 1 1 19 19 ALA N N 19 121.820 121.820 121.880 -0.060 19151 62 1 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.970 -0.154 19151 63 1 . 1 1 19 19 ALA C C 19 178.180 178.180 179.395 -1.215 19151 64 1 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.569 0.007 19151 65 1 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.033 1.967 19151 66 1 . 1 1 19 19 ALA H H 19 8.010 8.010 8.158 -0.148 19151 67 1 . 1 1 20 20 GLU N N 20 118.960 118.960 118.306 0.654 19151 68 1 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.005 0.011 19151 69 1 . 1 1 20 20 GLU C C 20 180.950 180.950 179.341 1.609 19151 70 1 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.183 0.483 19151 71 1 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.288 0.012 19151 72 1 . 1 1 20 20 GLU H H 20 8.700 8.700 7.988 0.712 19151 73 1 . 1 1 21 21 GLU N N 21 121.371 121.371 119.852 1.519 19151 74 1 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.093 -0.049 19151 75 1 . 1 1 21 21 GLU C C 21 179.419 179.419 178.875 0.544 19151 76 1 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.181 0.129 19151 77 1 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.334 0.227 19151 78 1 . 1 1 21 21 GLU H H 21 8.632 8.632 8.028 0.604 19151 79 1 . 1 1 22 22 ALA N N 22 121.329 121.329 122.813 -1.484 19151 80 1 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.071 -0.013 19151 81 1 . 1 1 22 22 ALA C C 22 178.823 178.823 179.391 -0.568 19151 82 1 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.630 -0.953 19151 83 1 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.141 -0.498 19151 84 1 . 1 1 22 22 ALA H H 22 8.182 8.182 8.587 -0.405 19151 85 1 . 1 1 23 23 GLU N N 23 119.035 119.035 119.274 -0.239 19151 86 1 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.000 -0.596 19151 87 1 . 1 1 23 23 GLU C C 23 178.375 178.375 178.563 -0.188 19151 88 1 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.753 0.555 19151 89 1 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.588 -0.658 19151 90 1 . 1 1 23 23 GLU H H 23 8.387 8.387 8.382 0.005 19151 91 1 . 1 1 24 24 ALA N N 24 122.207 122.207 121.905 0.302 19151 92 1 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.110 -0.080 19151 93 1 . 1 1 24 24 ALA C C 24 181.132 181.132 179.906 1.226 19151 94 1 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.075 0.412 19151 95 1 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.628 -0.628 19151 96 1 . 1 1 24 24 ALA H H 24 7.535 7.535 7.656 -0.121 19151 97 1 . 1 1 25 25 ILE N N 25 121.059 121.059 120.106 0.953 19151 98 1 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.710 -0.046 19151 99 1 . 1 1 25 25 ILE C C 25 178.419 178.419 177.911 0.508 19151 100 1 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.035 -0.927 19151 101 1 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.148 0.815 19151 102 1 . 1 1 25 25 ILE H H 25 7.800 7.800 8.547 -0.747 19151 103 1 . 1 1 26 26 LEU N N 26 119.307 119.307 120.599 -1.292 19151 104 1 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.152 0.024 19151 105 1 . 1 1 26 26 LEU C C 26 179.863 179.863 179.701 0.162 19151 106 1 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.382 -0.436 19151 107 1 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.248 -0.107 19151 108 1 . 1 1 26 26 LEU H H 26 8.509 8.509 8.599 -0.090 19151 109 1 . 1 1 27 27 THR N N 27 117.830 117.830 115.982 1.848 19151 110 1 . 1 1 27 27 THR HA H 27 4.524 4.524 4.295 0.229 19151 111 1 . 1 1 27 27 THR C C 27 179.027 179.027 176.326 2.701 19151 112 1 . 1 1 27 27 THR CA C 27 66.000 66.000 66.560 -0.560 19151 113 1 . 1 1 27 27 THR CB C 27 68.600 68.600 68.693 -0.093 19151 114 1 . 1 1 27 27 THR H H 27 8.796 8.796 8.412 0.384 19151 115 1 . 1 1 28 28 ALA N N 28 126.313 126.313 122.458 3.855 19151 116 1 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.153 0.052 19151 117 1 . 1 1 28 28 ALA C C 28 179.360 179.360 179.544 -0.184 19151 118 1 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.296 0.704 19151 119 1 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.269 -0.619 19151 120 1 . 1 1 28 28 ALA H H 28 7.832 7.832 7.887 -0.055 19151 121 1 . 1 1 29 29 GLN N N 29 115.527 115.527 116.230 -0.703 19151 122 1 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.155 -0.028 19151 123 1 . 1 1 29 29 GLN C C 29 176.547 176.547 176.910 -0.363 19151 124 1 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.875 -0.312 19151 125 1 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.669 -0.259 19151 126 1 . 1 1 29 29 GLN H H 29 7.353 7.353 8.294 -0.941 19151 127 1 . 1 1 30 30 GLY N N 30 105.961 105.961 106.219 -0.258 19151 128 1 . 1 1 30 30 GLY C C 30 174.785 174.785 173.354 1.431 19151 129 1 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.549 -0.048 19151 130 1 . 1 1 30 30 GLY H H 30 7.923 7.923 7.654 0.269 19151 131 1 . 1 1 31 31 HIS N N 31 119.471 119.471 117.547 1.924 19151 132 1 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.946 -0.111 19151 133 1 . 1 1 31 31 HIS C C 31 174.665 174.665 173.937 0.728 19151 134 1 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.386 1.456 19151 135 1 . 1 1 31 31 HIS CB C 31 32.000 32.000 32.097 -0.097 19151 136 1 . 1 1 31 31 HIS H H 31 7.558 7.558 8.059 -0.501 19151 137 1 . 1 1 32 32 LYS N N 32 121.854 121.854 122.378 -0.524 19151 138 1 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.503 0.220 19151 139 1 . 1 1 32 32 LYS C C 32 174.466 174.466 174.796 -0.330 19151 140 1 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.913 -0.048 19151 141 1 . 1 1 32 32 LYS CB C 32 32.960 32.960 31.617 1.343 19151 142 1 . 1 1 32 32 LYS H H 32 8.665 8.665 8.766 -0.101 19151 143 1 . 1 1 33 33 ALA N N 33 130.188 130.188 128.910 1.278 19151 144 1 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.585 0.233 19151 145 1 . 1 1 33 33 ALA C C 33 175.567 175.567 176.707 -1.140 19151 146 1 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.686 -0.710 19151 147 1 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.441 0.856 19151 148 1 . 1 1 33 33 ALA H H 33 8.837 8.837 8.003 0.834 19151 149 1 . 1 1 34 34 THR N N 34 117.164 117.164 117.585 -0.421 19151 150 1 . 1 1 34 34 THR HA H 34 4.359 4.359 4.656 -0.297 19151 151 1 . 1 1 34 34 THR C C 34 171.315 171.315 173.054 -1.739 19151 152 1 . 1 1 34 34 THR CA C 34 61.840 61.840 61.416 0.424 19151 153 1 . 1 1 34 34 THR CB C 34 71.800 71.800 72.456 -0.655 19151 154 1 . 1 1 34 34 THR H H 34 7.826 7.826 8.823 -0.997 19151 155 1 . 1 1 35 35 VAL N N 35 126.650 126.650 124.314 2.336 19151 156 1 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.371 -0.188 19151 157 1 . 1 1 35 35 VAL C C 35 174.675 174.675 175.155 -0.480 19151 158 1 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.878 0.050 19151 159 1 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.430 0.220 19151 160 1 . 1 1 35 35 VAL H H 35 8.496 8.496 8.601 -0.105 19151 161 1 . 1 1 36 36 PHE N N 36 127.630 127.630 127.076 0.554 19151 162 1 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.686 -0.135 19151 163 1 . 1 1 36 36 PHE C C 36 174.347 174.347 174.413 -0.066 19151 164 1 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.540 0.942 19151 165 1 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.581 -0.416 19151 166 1 . 1 1 36 36 PHE H H 36 9.164 9.164 9.168 -0.004 19151 167 1 . 1 1 37 37 GLU N N 37 123.516 123.516 124.083 -0.567 19151 168 1 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.441 0.029 19151 169 1 . 1 1 37 37 GLU C C 37 175.954 175.954 176.142 -0.188 19151 170 1 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.089 -0.370 19151 171 1 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.915 0.545 19151 172 1 . 1 1 37 37 GLU H H 37 8.455 8.455 8.659 -0.204 19151 173 1 . 1 1 38 38 ASP N N 38 120.395 120.395 121.966 -1.571 19151 174 1 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.443 0.390 19151 175 1 . 1 1 38 38 ASP C C 38 173.920 173.920 174.631 -0.711 19151 176 1 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.194 0.283 19151 177 1 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.447 0.157 19151 178 1 . 1 1 38 38 ASP H H 38 9.602 9.602 8.596 1.006 19151 179 1 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.551 0.129 19151 180 1 . 1 1 39 39 PRO C C 39 176.274 176.274 176.290 -0.016 19151 181 1 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.457 -0.473 19151 182 1 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.011 1.389 19151 183 1 . 1 1 40 40 GLU N N 40 119.026 119.026 121.335 -2.309 19151 184 1 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.578 0.150 19151 185 1 . 1 1 40 40 GLU C C 40 177.827 177.827 177.986 -0.159 19151 186 1 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.634 -0.664 19151 187 1 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.303 2.097 19151 188 1 . 1 1 40 40 GLU H H 40 9.178 9.178 8.707 0.471 19151 189 1 . 1 1 41 41 LEU N N 41 123.708 123.708 124.253 -0.544 19151 190 1 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.227 -0.333 19151 191 1 . 1 1 41 41 LEU C C 41 178.730 178.730 177.875 0.855 19151 192 1 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.607 0.801 19151 193 1 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.763 -0.110 19151 194 1 . 1 1 41 41 LEU H H 41 9.160 9.160 8.749 0.411 19151 195 1 . 1 1 42 42 SER N N 42 110.500 110.500 113.754 -3.254 19151 196 1 . 1 1 42 42 SER HA H 42 4.010 4.010 4.261 -0.251 19151 197 1 . 1 1 42 42 SER C C 42 176.300 176.300 175.164 1.136 19151 198 1 . 1 1 42 42 SER CA C 42 61.600 61.600 60.785 0.815 19151 199 1 . 1 1 42 42 SER CB C 42 62.140 62.140 62.828 -0.688 19151 200 1 . 1 1 42 42 SER H H 42 8.415 8.415 8.516 -0.101 19151 201 1 . 1 1 43 43 ASP N N 43 119.770 119.770 120.953 -1.183 19151 202 1 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.658 -0.201 19151 203 1 . 1 1 43 43 ASP C C 43 176.150 176.150 176.307 -0.157 19151 204 1 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.624 1.126 19151 205 1 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.956 1.744 19151 206 1 . 1 1 43 43 ASP H H 43 7.690 7.690 7.985 -0.295 19151 207 1 . 1 1 44 44 TRP N N 44 118.500 118.500 121.123 -2.623 19151 208 1 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.516 -0.306 19151 209 1 . 1 1 44 44 TRP C C 44 177.150 177.150 177.685 -0.535 19151 210 1 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.642 0.745 19151 211 1 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.482 -0.171 19151 212 1 . 1 1 44 44 TRP H H 44 7.464 7.464 7.429 0.035 19151 213 1 . 1 1 45 45 LEU N N 45 114.100 114.100 120.816 -6.716 19151 214 1 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.063 0.112 19151 215 1 . 1 1 45 45 LEU C C 45 176.300 176.300 175.823 0.477 19151 216 1 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.216 -0.656 19151 217 1 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.323 -0.103 19151 218 1 . 1 1 45 45 LEU H H 45 7.550 7.550 8.390 -0.840 19151 219 1 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.143 0.237 19151 220 1 . 1 1 46 46 PRO C C 46 176.799 176.799 177.239 -0.440 19151 221 1 . 1 1 46 46 PRO CA C 46 65.287 65.287 65.020 0.267 19151 222 1 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.139 0.461 19151 223 1 . 1 1 47 47 TYR N N 47 113.790 113.790 114.904 -1.114 19151 224 1 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.637 -0.517 19151 225 1 . 1 1 47 47 TYR C C 47 175.730 175.730 177.665 -1.935 19151 226 1 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.287 1.913 19151 227 1 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.737 0.279 19151 228 1 . 1 1 47 47 TYR H H 47 8.291 8.291 8.155 0.136 19151 229 1 . 1 1 48 48 GLN N N 48 116.524 116.524 120.206 -3.682 19151 230 1 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.962 -0.077 19151 231 1 . 1 1 48 48 GLN C C 48 174.381 174.381 175.978 -1.597 19151 232 1 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.650 0.176 19151 233 1 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.866 2.134 19151 234 1 . 1 1 48 48 GLN H H 48 7.300 7.300 7.514 -0.214 19151 235 1 . 1 1 49 49 ASP N N 49 114.657 114.657 112.496 2.161 19151 236 1 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.712 -0.025 19151 237 1 . 1 1 49 49 ASP C C 49 176.307 176.307 175.620 0.687 19151 238 1 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.714 -1.979 19151 239 1 . 1 1 49 49 ASP CB C 49 40.200 40.200 40.842 -0.642 19151 240 1 . 1 1 49 49 ASP H H 49 7.854 7.854 8.354 -0.500 19151 241 1 . 1 1 50 50 LYS N N 50 123.514 123.514 119.176 4.338 19151 242 1 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.446 0.144 19151 243 1 . 1 1 50 50 LYS C C 50 172.964 172.964 174.900 -1.936 19151 244 1 . 1 1 50 50 LYS CA C 50 54.693 54.693 54.830 -0.137 19151 245 1 . 1 1 50 50 LYS CB C 50 33.500 33.500 35.479 -1.979 19151 246 1 . 1 1 50 50 LYS H H 50 7.833 7.833 7.573 0.260 19151 247 1 . 1 1 51 51 TYR N N 51 118.375 118.375 115.787 2.588 19151 248 1 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.773 0.282 19151 249 1 . 1 1 51 51 TYR C C 51 175.875 175.875 176.235 -0.360 19151 250 1 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.585 0.836 19151 251 1 . 1 1 51 51 TYR CB C 51 42.477 42.477 40.919 1.558 19151 252 1 . 1 1 51 51 TYR H H 51 7.745 7.745 7.972 -0.227 19151 253 1 . 1 1 52 52 VAL N N 52 112.527 112.527 114.577 -2.050 19151 254 1 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.972 0.528 19151 255 1 . 1 1 52 52 VAL C C 52 173.910 173.910 174.116 -0.206 19151 256 1 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.544 -1.848 19151 257 1 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.444 1.049 19151 258 1 . 1 1 52 52 VAL H H 52 8.673 8.673 8.387 0.286 19151 259 1 . 1 1 53 53 LEU N N 53 124.294 124.294 123.813 0.481 19151 260 1 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.205 -0.305 19151 261 1 . 1 1 53 53 LEU C C 53 175.070 175.070 174.492 0.578 19151 262 1 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.625 -1.059 19151 263 1 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.388 -1.158 19151 264 1 . 1 1 53 53 LEU H H 53 9.137 9.137 9.196 -0.059 19151 265 1 . 1 1 54 54 VAL N N 54 127.850 127.850 127.455 0.395 19151 266 1 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.679 -0.169 19151 267 1 . 1 1 54 54 VAL C C 54 174.030 174.030 174.405 -0.375 19151 268 1 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.364 0.461 19151 269 1 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.292 -0.601 19151 270 1 . 1 1 54 54 VAL H H 54 8.619 8.619 8.996 -0.377 19151 271 1 . 1 1 55 55 VAL N N 55 127.181 127.181 128.475 -1.294 19151 272 1 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.799 0.286 19151 273 1 . 1 1 55 55 VAL C C 55 174.942 174.942 174.490 0.452 19151 274 1 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.855 -0.786 19151 275 1 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.355 -0.133 19151 276 1 . 1 1 55 55 VAL H H 55 8.578 8.578 8.913 -0.335 19151 277 1 . 1 1 56 56 THR N N 56 117.420 117.420 122.223 -4.803 19151 278 1 . 1 1 56 56 THR HA H 56 5.590 5.590 5.015 0.575 19151 279 1 . 1 1 56 56 THR C C 56 172.640 172.640 173.040 -0.400 19151 280 1 . 1 1 56 56 THR CA C 56 59.359 59.359 60.651 -1.292 19151 281 1 . 1 1 56 56 THR CB C 56 70.715 70.715 70.495 0.220 19151 282 1 . 1 1 56 56 THR H H 56 8.710 8.710 8.971 -0.261 19151 283 1 . 1 1 57 57 SER HA H 57 5.250 5.250 5.051 0.199 19151 284 1 . 1 1 57 57 SER CA C 57 57.730 57.730 57.399 0.331 19151 285 1 . 1 1 57 57 SER CB C 57 64.500 64.500 64.610 -0.110 19151 286 1 . 1 1 57 57 SER H H 57 8.075 8.075 8.734 -0.659 19151 287 1 . 1 1 58 58 THR H H 58 7.900 7.900 8.446 -0.546 19151 288 1 . 1 1 59 59 THR HA H 59 4.900 4.900 4.055 0.845 19151 289 1 . 1 1 59 59 THR CA C 59 61.200 61.200 65.655 -4.455 19151 290 1 . 1 1 59 59 THR CB C 59 73.400 73.400 69.043 4.357 19151 291 1 . 1 1 59 59 THR H H 59 9.230 9.230 7.793 1.437 19151 292 1 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.500 1.000 19151 293 1 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.147 0.259 19151 294 1 . 1 1 61 61 GLN C C 61 175.950 175.950 176.253 -0.303 19151 295 1 . 1 1 61 61 GLN CA C 61 55.350 55.350 56.307 -0.957 19151 296 1 . 1 1 61 61 GLN CB C 61 29.160 29.160 28.232 0.928 19151 297 1 . 1 1 62 62 GLY N N 62 108.420 108.420 106.785 1.635 19151 298 1 . 1 1 62 62 GLY C C 62 173.134 173.134 173.361 -0.227 19151 299 1 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.946 0.838 19151 300 1 . 1 1 62 62 GLY H H 62 8.073 8.073 7.920 0.153 19151 301 1 . 1 1 63 63 ASP N N 63 118.400 118.400 119.205 -0.805 19151 302 1 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.761 0.019 19151 303 1 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.960 0.336 19151 304 1 . 1 1 63 63 ASP CB C 63 42.740 42.740 43.044 -0.304 19151 305 1 . 1 1 63 63 ASP H H 63 7.248 7.248 8.088 -0.840 19151 306 1 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.489 -0.089 19151 307 1 . 1 1 64 64 LEU CA C 64 53.150 53.150 52.177 0.973 19151 308 1 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.870 -1.183 19151 309 1 . 1 1 64 64 LEU H H 64 8.445 8.445 8.076 0.369 19151 310 1 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.493 -0.200 19151 311 1 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.358 -0.014 19151 312 1 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.687 -0.207 19151 313 1 . 1 1 66 66 ASP N N 66 121.200 121.200 121.411 -0.211 19151 314 1 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.372 -0.113 19151 315 1 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.379 1.251 19151 316 1 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.734 0.066 19151 317 1 . 1 1 66 66 ASP H H 66 8.605 8.605 8.681 -0.076 19151 318 1 . 1 1 67 67 SER HA H 67 4.292 4.292 4.361 -0.069 19151 319 1 . 1 1 67 67 SER C C 67 175.650 175.650 175.067 0.583 19151 320 1 . 1 1 67 67 SER CA C 67 60.500 60.500 60.445 0.055 19151 321 1 . 1 1 67 67 SER CB C 67 63.530 63.530 63.814 -0.284 19151 322 1 . 1 1 68 68 ILE N N 68 120.550 120.550 120.829 -0.279 19151 323 1 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.458 0.652 19151 324 1 . 1 1 68 68 ILE C C 68 174.713 174.713 176.466 -1.753 19151 325 1 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.932 -0.532 19151 326 1 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.521 3.719 19151 327 1 . 1 1 68 68 ILE H H 68 7.870 7.870 7.648 0.222 19151 328 1 . 1 1 69 69 VAL N N 69 125.740 125.740 123.462 2.278 19151 329 1 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.727 0.018 19151 330 1 . 1 1 69 69 VAL C C 69 174.500 174.500 174.941 -0.441 19151 331 1 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.474 -0.924 19151 332 1 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.177 0.953 19151 333 1 . 1 1 69 69 VAL H H 69 7.428 7.428 8.429 -1.001 19151 334 1 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.317 -0.025 19151 335 1 . 1 1 70 70 PRO C C 70 180.820 180.820 178.928 1.892 19151 336 1 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.041 0.429 19151 337 1 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.225 -0.568 19151 338 1 . 1 1 71 71 LEU N N 71 119.467 119.467 120.511 -1.044 19151 339 1 . 1 1 71 71 LEU HA H 71 3.845 3.845 3.995 -0.150 19151 340 1 . 1 1 71 71 LEU C C 71 176.489 176.489 178.218 -1.729 19151 341 1 . 1 1 71 71 LEU CA C 71 58.207 58.207 58.060 0.147 19151 342 1 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.721 -0.235 19151 343 1 . 1 1 71 71 LEU H H 71 7.918 7.918 7.569 0.349 19151 344 1 . 1 1 72 72 PHE N N 72 119.361 119.361 119.300 0.061 19151 345 1 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.303 -0.158 19151 346 1 . 1 1 72 72 PHE C C 72 175.968 175.968 177.139 -1.171 19151 347 1 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.673 0.148 19151 348 1 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.627 0.920 19151 349 1 . 1 1 72 72 PHE H H 72 7.903 7.903 8.641 -0.738 19151 350 1 . 1 1 73 73 GLN N N 73 116.100 116.100 116.945 -0.845 19151 351 1 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.735 -0.208 19151 352 1 . 1 1 73 73 GLN C C 73 177.871 177.871 178.642 -0.771 19151 353 1 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.802 -0.662 19151 354 1 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.275 -0.128 19151 355 1 . 1 1 73 73 GLN H H 73 9.042 9.042 8.706 0.336 19151 356 1 . 1 1 74 74 GLY N N 74 107.110 107.110 108.337 -1.227 19151 357 1 . 1 1 74 74 GLY C C 74 175.894 175.894 176.299 -0.405 19151 358 1 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.780 0.500 19151 359 1 . 1 1 74 74 GLY H H 74 8.045 8.045 8.058 -0.013 19151 360 1 . 1 1 75 75 ILE N N 75 123.629 123.629 122.813 0.816 19151 361 1 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.360 -0.310 19151 362 1 . 1 1 75 75 ILE C C 75 178.622 178.622 177.062 1.560 19151 363 1 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.810 0.447 19151 364 1 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.415 0.553 19151 365 1 . 1 1 75 75 ILE H H 75 8.174 8.174 8.108 0.066 19151 366 1 . 1 1 76 76 LYS N N 76 119.363 119.363 118.362 1.001 19151 367 1 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.789 -0.484 19151 368 1 . 1 1 76 76 LYS C C 76 177.909 177.909 178.195 -0.286 19151 369 1 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.207 0.498 19151 370 1 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.958 0.392 19151 371 1 . 1 1 76 76 LYS H H 76 7.600 7.600 7.447 0.153 19151 372 1 . 1 1 77 77 ASP N N 77 115.190 115.190 117.733 -2.543 19151 373 1 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.623 -0.141 19151 374 1 . 1 1 77 77 ASP C C 77 178.825 178.825 177.945 0.880 19151 375 1 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.818 0.462 19151 376 1 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.906 -0.716 19151 377 1 . 1 1 77 77 ASP H H 77 8.482 8.482 8.214 0.268 19151 378 1 . 1 1 78 78 SER N N 78 112.576 112.576 115.859 -3.283 19151 379 1 . 1 1 78 78 SER HA H 78 4.728 4.728 4.410 0.318 19151 380 1 . 1 1 78 78 SER C C 78 174.556 174.556 174.918 -0.362 19151 381 1 . 1 1 78 78 SER CA C 78 60.045 60.045 60.223 -0.178 19151 382 1 . 1 1 78 78 SER CB C 78 64.643 64.643 64.062 0.581 19151 383 1 . 1 1 78 78 SER H H 78 8.273 8.273 7.948 0.325 19151 384 1 . 1 1 79 79 LEU N N 79 120.833 120.833 120.960 -0.127 19151 385 1 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.422 0.393 19151 386 1 . 1 1 79 79 LEU C C 79 176.251 176.251 178.911 -2.660 19151 387 1 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.413 -2.453 19151 388 1 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.215 -3.019 19151 389 1 . 1 1 79 79 LEU H H 79 7.025 7.025 7.527 -0.502 19151 390 1 . 1 1 80 80 GLY N N 80 108.861 108.861 107.051 1.810 19151 391 1 . 1 1 80 80 GLY C C 80 173.623 173.623 173.600 0.023 19151 392 1 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.533 -0.304 19151 393 1 . 1 1 80 80 GLY H H 80 7.499 7.499 8.187 -0.688 19151 394 1 . 1 1 81 81 PHE N N 81 121.441 121.441 119.725 1.716 19151 395 1 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.754 0.306 19151 396 1 . 1 1 81 81 PHE C C 81 174.411 174.411 172.529 1.882 19151 397 1 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.104 0.107 19151 398 1 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.668 -1.048 19151 399 1 . 1 1 81 81 PHE H H 81 8.018 8.018 7.472 0.546 19151 400 1 . 1 1 82 82 GLN N N 82 126.480 126.480 122.565 3.915 19151 401 1 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.658 0.232 19151 402 1 . 1 1 82 82 GLN C C 82 172.700 172.700 173.534 -0.834 19151 403 1 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.125 2.052 19151 404 1 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.737 1.862 19151 405 1 . 1 1 82 82 GLN H H 82 9.588 9.588 7.410 2.178 19151 406 1 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.367 0.006 19151 407 1 . 1 1 83 83 PRO C C 83 178.163 178.163 176.694 1.469 19151 408 1 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.233 -0.542 19151 409 1 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.674 -0.809 19151 410 1 . 1 1 84 84 ASN N N 84 116.900 116.900 114.908 1.992 19151 411 1 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.864 -0.095 19151 412 1 . 1 1 84 84 ASN C C 84 173.332 173.332 173.738 -0.406 19151 413 1 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.849 -0.289 19151 414 1 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.444 -1.184 19151 415 1 . 1 1 84 84 ASN H H 84 8.578 8.578 8.130 0.448 19151 416 1 . 1 1 85 85 LEU N N 85 124.380 124.380 122.943 1.437 19151 417 1 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.443 -0.397 19151 418 1 . 1 1 85 85 LEU C C 85 175.880 175.880 175.581 0.299 19151 419 1 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.773 1.069 19151 420 1 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.282 -0.982 19151 421 1 . 1 1 85 85 LEU H H 85 7.240 7.240 7.684 -0.444 19151 422 1 . 1 1 86 86 ARG N N 86 128.715 128.715 124.315 4.400 19151 423 1 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.062 0.732 19151 424 1 . 1 1 86 86 ARG C C 86 175.554 175.554 174.568 0.986 19151 425 1 . 1 1 86 86 ARG CA C 86 54.442 54.442 54.305 0.137 19151 426 1 . 1 1 86 86 ARG CB C 86 32.873 32.873 34.369 -1.496 19151 427 1 . 1 1 86 86 ARG H H 86 7.732 7.732 8.259 -0.527 19151 428 1 . 1 1 87 87 TYR N N 87 117.420 117.420 119.403 -1.983 19151 429 1 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.600 1.165 19151 430 1 . 1 1 87 87 TYR C C 87 172.931 172.931 173.233 -0.302 19151 431 1 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.512 -1.251 19151 432 1 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.754 3.184 19151 433 1 . 1 1 87 87 TYR H H 87 8.783 8.783 8.303 0.480 19151 434 1 . 1 1 88 88 GLY N N 88 107.765 107.765 105.939 1.826 19151 435 1 . 1 1 88 88 GLY C C 88 172.621 172.621 171.192 1.429 19151 436 1 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.700 1.161 19151 437 1 . 1 1 88 88 GLY H H 88 8.905 8.905 8.690 0.215 19151 438 1 . 1 1 89 89 VAL N N 89 118.180 118.180 117.932 0.248 19151 439 1 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.797 0.204 19151 440 1 . 1 1 89 89 VAL C C 89 172.939 172.939 173.520 -0.581 19151 441 1 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.510 0.489 19151 442 1 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.288 1.110 19151 443 1 . 1 1 89 89 VAL H H 89 7.499 7.499 8.130 -0.631 19151 444 1 . 1 1 90 90 ILE N N 90 125.000 125.000 125.750 -0.750 19151 445 1 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.117 0.010 19151 446 1 . 1 1 90 90 ILE C C 90 173.099 173.099 173.676 -0.577 19151 447 1 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.887 0.602 19151 448 1 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.090 0.308 19151 449 1 . 1 1 90 90 ILE H H 90 8.810 8.810 8.891 -0.081 19151 450 1 . 1 1 91 91 ALA N N 91 129.036 129.036 129.849 -0.813 19151 451 1 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.354 -0.028 19151 452 1 . 1 1 91 91 ALA C C 91 174.000 174.000 175.716 -1.716 19151 453 1 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.742 -0.742 19151 454 1 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.011 1.089 19151 455 1 . 1 1 91 91 ALA H H 91 9.253 9.253 8.876 0.377 19151 456 1 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.102 -0.171 19151 457 1 . 1 1 92 92 LEU C C 92 177.366 177.366 176.538 0.828 19151 458 1 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.079 0.838 19151 459 1 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.136 -2.736 19151 460 1 . 1 1 93 93 GLY N N 93 110.663 110.663 107.905 2.758 19151 461 1 . 1 1 93 93 GLY C C 93 172.029 172.029 171.984 0.045 19151 462 1 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.712 0.018 19151 463 1 . 1 1 93 93 GLY H H 93 8.687 8.687 8.804 -0.117 19151 464 1 . 1 1 94 94 ASP N N 94 119.304 119.304 120.562 -1.258 19151 465 1 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.169 0.091 19151 466 1 . 1 1 94 94 ASP C C 94 176.978 176.978 177.316 -0.338 19151 467 1 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.686 0.921 19151 468 1 . 1 1 94 94 ASP CB C 94 43.000 43.000 41.528 1.472 19151 469 1 . 1 1 94 94 ASP H H 94 8.129 8.129 8.489 -0.360 19151 470 1 . 1 1 95 95 SER N N 95 123.897 123.897 121.674 2.223 19151 471 1 . 1 1 95 95 SER HA H 95 3.895 3.895 4.262 -0.367 19151 472 1 . 1 1 95 95 SER C C 95 175.243 175.243 175.491 -0.248 19151 473 1 . 1 1 95 95 SER CA C 95 60.183 60.183 59.832 0.351 19151 474 1 . 1 1 95 95 SER CB C 95 61.700 61.700 62.688 -0.988 19151 475 1 . 1 1 95 95 SER H H 95 8.878 8.878 9.096 -0.218 19151 476 1 . 1 1 96 96 SER N N 96 119.248 119.248 116.599 2.649 19151 477 1 . 1 1 96 96 SER HA H 96 4.209 4.209 4.226 -0.017 19151 478 1 . 1 1 96 96 SER C C 96 173.900 173.900 175.039 -1.139 19151 479 1 . 1 1 96 96 SER CA C 96 60.197 60.197 59.879 0.318 19151 480 1 . 1 1 96 96 SER CB C 96 63.000 63.000 63.375 -0.375 19151 481 1 . 1 1 96 96 SER H H 96 9.124 9.124 8.170 0.954 19151 482 1 . 1 1 97 97 TYR N N 97 120.889 120.889 120.407 0.482 19151 483 1 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.519 0.369 19151 484 1 . 1 1 97 97 TYR C C 97 175.972 175.972 176.699 -0.727 19151 485 1 . 1 1 97 97 TYR CA C 97 55.750 55.750 57.993 -2.243 19151 486 1 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.193 0.627 19151 487 1 . 1 1 97 97 TYR H H 97 7.664 7.664 7.751 -0.087 19151 488 1 . 1 1 98 98 VAL N N 98 116.952 116.952 120.182 -3.230 19151 489 1 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.879 0.181 19151 490 1 . 1 1 98 98 VAL C C 98 175.969 175.969 176.343 -0.374 19151 491 1 . 1 1 98 98 VAL CA C 98 62.840 62.840 64.042 -1.202 19151 492 1 . 1 1 98 98 VAL CB C 98 32.600 32.600 32.183 0.417 19151 493 1 . 1 1 98 98 VAL H H 98 7.970 7.970 8.430 -0.460 19151 494 1 . 1 1 99 99 ASN N N 99 118.156 118.156 116.436 1.720 19151 495 1 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.659 -0.148 19151 496 1 . 1 1 99 99 ASN C C 99 174.329 174.329 175.731 -1.402 19151 497 1 . 1 1 99 99 ASN CA C 99 53.031 53.031 53.447 -0.416 19151 498 1 . 1 1 99 99 ASN CB C 99 37.238 37.238 37.809 -0.571 19151 499 1 . 1 1 99 99 ASN H H 99 8.296 8.296 8.370 -0.074 19151 500 1 . 1 1 100 100 PHE N N 100 118.649 118.649 119.781 -1.132 19151 501 1 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.024 0.390 19151 502 1 . 1 1 100 100 PHE C C 100 174.400 174.400 175.361 -0.961 19151 503 1 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.405 -3.215 19151 504 1 . 1 1 100 100 PHE CB C 100 39.679 39.679 38.287 1.393 19151 505 1 . 1 1 100 100 PHE H H 100 7.855 7.855 8.169 -0.314 19151 506 1 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.177 -0.592 19151 507 1 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.185 5.555 19151 508 1 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.046 -1.046 19151 509 1 . 1 1 101 101 CYS H H 101 9.240 9.240 7.927 1.313 19151 510 1 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.388 -0.168 19151 511 1 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.530 0.670 19151 512 1 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.427 0.173 19151 513 1 . 1 1 102 102 ASN H H 102 8.300 8.300 8.572 -0.272 19151 514 1 . 1 1 103 103 GLY C C 103 175.690 175.690 175.882 -0.192 19151 515 1 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.054 0.296 19151 516 1 . 1 1 104 104 GLY N N 104 106.150 106.150 109.164 -3.014 19151 517 1 . 1 1 104 104 GLY C C 104 174.570 174.570 176.140 -1.570 19151 518 1 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.059 1.291 19151 519 1 . 1 1 104 104 GLY H H 104 7.108 7.108 7.673 -0.565 19151 520 1 . 1 1 105 105 LYS N N 105 120.732 120.732 122.290 -1.558 19151 521 1 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.974 -0.037 19151 522 1 . 1 1 105 105 LYS C C 105 179.706 179.706 178.973 0.733 19151 523 1 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.866 0.442 19151 524 1 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.175 -0.378 19151 525 1 . 1 1 105 105 LYS H H 105 7.708 7.708 7.487 0.221 19151 526 1 . 1 1 106 106 GLN N N 106 119.087 119.087 117.914 1.173 19151 527 1 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.160 -0.018 19151 528 1 . 1 1 106 106 GLN C C 106 179.418 179.418 178.520 0.898 19151 529 1 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.767 0.108 19151 530 1 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.440 0.319 19151 531 1 . 1 1 106 106 GLN H H 106 8.738 8.738 8.595 0.143 19151 532 1 . 1 1 107 107 PHE N N 107 123.088 123.088 119.448 3.640 19151 533 1 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.332 -0.082 19151 534 1 . 1 1 107 107 PHE C C 107 178.403 178.403 177.816 0.587 19151 535 1 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.906 0.279 19151 536 1 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.950 0.501 19151 537 1 . 1 1 107 107 PHE H H 107 7.922 7.922 7.796 0.126 19151 538 1 . 1 1 108 108 ASP N N 108 117.118 117.118 120.472 -3.354 19151 539 1 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.603 -0.229 19151 540 1 . 1 1 108 108 ASP C C 108 176.973 176.973 178.137 -1.164 19151 541 1 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.641 0.788 19151 542 1 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.126 2.997 19151 543 1 . 1 1 108 108 ASP H H 108 8.305 8.305 8.246 0.059 19151 544 1 . 1 1 109 109 ALA N N 109 118.590 118.590 122.730 -4.140 19151 545 1 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.107 -0.057 19151 546 1 . 1 1 109 109 ALA C C 109 180.430 180.430 179.806 0.624 19151 547 1 . 1 1 109 109 ALA CA C 109 55.196 55.196 54.995 0.201 19151 548 1 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.345 -0.238 19151 549 1 . 1 1 109 109 ALA H H 109 8.332 8.332 8.060 0.272 19151 550 1 . 1 1 110 110 LEU N N 110 120.402 120.402 120.217 0.185 19151 551 1 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.998 0.087 19151 552 1 . 1 1 110 110 LEU C C 110 177.801 177.801 179.033 -1.232 19151 553 1 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.559 0.081 19151 554 1 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.985 0.771 19151 555 1 . 1 1 110 110 LEU H H 110 7.868 7.868 7.646 0.222 19151 556 1 . 1 1 111 111 LEU N N 111 116.945 116.945 117.168 -0.223 19151 557 1 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.883 -0.165 19151 558 1 . 1 1 111 111 LEU C C 111 179.838 179.838 179.382 0.456 19151 559 1 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.779 0.187 19151 560 1 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.335 -2.475 19151 561 1 . 1 1 111 111 LEU H H 111 7.704 7.704 7.440 0.264 19151 562 1 . 1 1 112 112 GLN N N 112 118.484 118.484 116.654 1.829 19151 563 1 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.119 0.022 19151 564 1 . 1 1 112 112 GLN C C 112 181.218 181.218 178.221 2.997 19151 565 1 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.703 1.264 19151 566 1 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.118 1.142 19151 567 1 . 1 1 112 112 GLN H H 112 8.441 8.441 7.806 0.635 19151 568 1 . 1 1 113 113 GLU N N 113 122.905 122.905 117.954 4.951 19151 569 1 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.129 0.052 19151 570 1 . 1 1 113 113 GLU C C 113 178.001 178.001 177.490 0.511 19151 571 1 . 1 1 113 113 GLU CA C 113 58.985 58.985 58.056 0.929 19151 572 1 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.477 -0.206 19151 573 1 . 1 1 113 113 GLU H H 113 8.305 8.305 7.976 0.329 19151 574 1 . 1 1 114 114 GLN N N 114 117.332 117.332 118.367 -1.035 19151 575 1 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.315 0.280 19151 576 1 . 1 1 114 114 GLN C C 114 174.538 174.538 176.994 -2.456 19151 577 1 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.440 -1.023 19151 578 1 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.473 -4.643 19151 579 1 . 1 1 114 114 GLN H H 114 7.520 7.520 7.526 -0.006 19151 580 1 . 1 1 115 115 SER N N 115 109.100 109.100 109.715 -0.615 19151 581 1 . 1 1 115 115 SER HA H 115 4.200 4.200 4.458 -0.258 19151 582 1 . 1 1 115 115 SER C C 115 172.302 172.302 173.418 -1.116 19151 583 1 . 1 1 115 115 SER CA C 115 60.400 60.400 58.404 1.996 19151 584 1 . 1 1 115 115 SER CB C 115 61.325 61.325 64.719 -3.394 19151 585 1 . 1 1 115 115 SER H H 115 7.950 7.950 8.078 -0.128 19151 586 1 . 1 1 116 116 ALA N N 116 121.059 121.059 125.469 -4.410 19151 587 1 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.285 0.509 19151 588 1 . 1 1 116 116 ALA C C 116 176.774 176.774 176.359 0.415 19151 589 1 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.336 -0.646 19151 590 1 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.356 1.009 19151 591 1 . 1 1 116 116 ALA H H 116 7.813 7.813 7.789 0.024 19151 592 1 . 1 1 117 117 GLN N N 117 118.000 118.000 119.304 -1.304 19151 593 1 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.560 0.058 19151 594 1 . 1 1 117 117 GLN C C 117 173.769 173.769 175.664 -1.895 19151 595 1 . 1 1 117 117 GLN CA C 117 54.556 54.556 55.281 -0.725 19151 596 1 . 1 1 117 117 GLN CB C 117 30.735 30.735 30.745 -0.010 19151 597 1 . 1 1 117 117 GLN H H 117 8.591 8.591 8.594 -0.003 19151 598 1 . 1 1 118 118 ARG N N 118 127.947 127.947 120.290 7.657 19151 599 1 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.107 -1.799 19151 600 1 . 1 1 118 118 ARG C C 118 176.758 176.758 175.438 1.320 19151 601 1 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.685 1.501 19151 602 1 . 1 1 118 118 ARG CB C 118 30.310 30.310 33.116 -2.806 19151 603 1 . 1 1 118 118 ARG H H 118 8.659 8.659 8.532 0.127 19151 604 1 . 1 1 119 119 VAL N N 119 131.939 131.939 122.346 9.593 19151 605 1 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.314 -0.201 19151 606 1 . 1 1 119 119 VAL C C 119 176.775 176.775 175.942 0.833 19151 607 1 . 1 1 119 119 VAL CA C 119 62.174 62.174 60.823 1.351 19151 608 1 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.768 -1.374 19151 609 1 . 1 1 119 119 VAL H H 119 9.520 9.520 8.776 0.744 19151 610 1 . 1 1 120 120 GLY N N 120 116.074 116.074 113.017 3.057 19151 611 1 . 1 1 120 120 GLY C C 120 172.757 172.757 173.797 -1.040 19151 612 1 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.333 -1.435 19151 613 1 . 1 1 120 120 GLY H H 120 8.755 8.755 8.441 0.314 19151 614 1 . 1 1 121 121 GLU N N 121 118.754 118.754 120.763 -2.009 19151 615 1 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.586 0.080 19151 616 1 . 1 1 121 121 GLU C C 121 177.419 177.419 176.740 0.680 19151 617 1 . 1 1 121 121 GLU CA C 121 54.491 54.491 55.480 -0.989 19151 618 1 . 1 1 121 121 GLU CB C 121 31.498 31.498 31.360 0.138 19151 619 1 . 1 1 121 121 GLU H H 121 8.594 8.594 8.581 0.013 19151 620 1 . 1 1 122 122 MET N N 122 122.642 122.642 120.955 1.687 19151 621 1 . 1 1 122 122 MET HA H 122 4.415 4.415 4.863 -0.448 19151 622 1 . 1 1 122 122 MET C C 122 175.351 175.351 175.172 0.179 19151 623 1 . 1 1 122 122 MET CA C 122 57.024 57.024 54.855 2.169 19151 624 1 . 1 1 122 122 MET CB C 122 34.210 34.210 33.341 0.869 19151 625 1 . 1 1 122 122 MET H H 122 8.892 8.892 8.524 0.368 19151 626 1 . 1 1 123 123 LEU N N 123 129.535 129.535 122.625 6.910 19151 627 1 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.408 -0.058 19151 628 1 . 1 1 123 123 LEU C C 123 173.124 173.124 174.286 -1.162 19151 629 1 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.203 0.536 19151 630 1 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.707 -1.629 19151 631 1 . 1 1 123 123 LEU H H 123 7.868 7.868 7.617 0.251 19151 632 1 . 1 1 124 124 LEU N N 124 127.120 127.120 125.959 1.161 19151 633 1 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.714 0.341 19151 634 1 . 1 1 124 124 LEU C C 124 176.379 176.379 176.157 0.222 19151 635 1 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.178 0.372 19151 636 1 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.646 -1.268 19151 637 1 . 1 1 124 124 LEU H H 124 8.346 8.346 8.224 0.122 19151 638 1 . 1 1 125 125 ILE N N 125 124.337 124.337 125.104 -0.767 19151 639 1 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.263 -0.083 19151 640 1 . 1 1 125 125 ILE C C 125 174.303 174.303 174.775 -0.472 19151 641 1 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.994 0.106 19151 642 1 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.645 -0.702 19151 643 1 . 1 1 125 125 ILE H H 125 8.974 8.974 8.703 0.271 19151 644 1 . 1 1 126 126 ASP N N 126 127.113 127.113 128.269 -1.156 19151 645 1 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.551 -0.436 19151 646 1 . 1 1 126 126 ASP C C 126 176.766 176.766 176.541 0.225 19151 647 1 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.089 -0.242 19151 648 1 . 1 1 126 126 ASP CB C 126 41.100 41.100 41.202 -0.102 19151 649 1 . 1 1 126 126 ASP H H 126 9.397 9.397 8.851 0.546 19151 650 1 . 1 1 127 127 ALA N N 127 131.178 131.178 130.398 0.780 19151 651 1 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.487 -0.171 19151 652 1 . 1 1 127 127 ALA C C 127 178.530 178.530 178.768 -0.238 19151 653 1 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.067 -0.220 19151 654 1 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.017 -0.225 19151 655 1 . 1 1 127 127 ALA H H 127 9.696 9.696 9.027 0.669 19151 656 1 . 1 1 128 128 SER N N 128 112.064 112.064 112.935 -0.871 19151 657 1 . 1 1 128 128 SER HA H 128 4.224 4.224 4.228 -0.004 19151 658 1 . 1 1 128 128 SER C C 128 175.000 175.000 175.620 -0.620 19151 659 1 . 1 1 128 128 SER CA C 128 61.246 61.246 60.605 0.641 19151 660 1 . 1 1 128 128 SER CB C 128 63.310 63.310 63.436 -0.126 19151 661 1 . 1 1 128 128 SER H H 128 8.373 8.373 8.304 0.069 19151 662 1 . 1 1 129 129 GLU N N 129 119.468 119.468 118.537 0.931 19151 663 1 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.446 -0.046 19151 664 1 . 1 1 129 129 GLU C C 129 175.947 175.947 175.966 -0.019 19151 665 1 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.798 -0.382 19151 666 1 . 1 1 129 129 GLU CB C 129 31.730 31.730 32.066 -0.336 19151 667 1 . 1 1 129 129 GLU H H 129 7.267 7.267 7.646 -0.379 19151 668 1 . 1 1 130 130 ASN N N 130 115.968 115.968 118.469 -2.501 19151 669 1 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.124 0.042 19151 670 1 . 1 1 130 130 ASN C C 130 172.000 172.000 174.002 -2.002 19151 671 1 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.775 -0.552 19151 672 1 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.909 -0.243 19151 673 1 . 1 1 130 130 ASN H H 130 8.072 8.072 8.282 -0.210 19151 674 1 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.500 0.050 19151 675 1 . 1 1 131 131 PRO C C 131 176.400 176.400 176.172 0.228 19151 676 1 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.759 -0.259 19151 677 1 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.749 0.551 19151 678 1 . 1 1 132 132 GLU N N 132 119.000 119.000 118.990 0.011 19151 679 1 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.811 0.209 19151 680 1 . 1 1 132 132 GLU C C 132 174.200 174.200 175.240 -1.040 19151 681 1 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.123 -0.123 19151 682 1 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.269 0.431 19151 683 1 . 1 1 132 132 GLU H H 132 7.690 7.690 8.138 -0.448 19151 684 1 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.224 -0.223 19151 685 1 . 1 1 133 133 PRO C C 133 177.391 177.391 178.150 -0.759 19151 686 1 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.165 0.304 19151 687 1 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.963 0.182 19151 688 1 . 1 1 134 134 GLU N N 134 122.846 122.846 117.966 4.880 19151 689 1 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.261 0.959 19151 690 1 . 1 1 134 134 GLU C C 134 178.385 178.385 178.778 -0.393 19151 691 1 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.192 -1.600 19151 692 1 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.484 -1.894 19151 693 1 . 1 1 134 134 GLU H H 134 10.707 10.707 8.841 1.866 19151 694 1 . 1 1 135 135 THR N N 135 113.016 113.016 111.317 1.699 19151 695 1 . 1 1 135 135 THR HA H 135 4.182 4.182 4.213 -0.031 19151 696 1 . 1 1 135 135 THR C C 135 176.460 176.460 175.656 0.804 19151 697 1 . 1 1 135 135 THR CA C 135 64.752 64.752 64.928 -0.176 19151 698 1 . 1 1 135 135 THR CB C 135 69.248 69.248 68.859 0.389 19151 699 1 . 1 1 135 135 THR H H 135 8.168 8.168 8.149 0.019 19151 700 1 . 1 1 136 136 GLU N N 136 118.978 118.978 121.493 -2.515 19151 701 1 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.472 0.092 19151 702 1 . 1 1 136 136 GLU C C 136 178.370 178.370 178.526 -0.156 19151 703 1 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.092 -1.179 19151 704 1 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.603 1.497 19151 705 1 . 1 1 136 136 GLU H H 136 7.680 7.680 7.698 -0.018 19151 706 1 . 1 1 137 137 SER N N 137 116.501 116.501 115.758 0.743 19151 707 1 . 1 1 137 137 SER HA H 137 4.033 4.033 4.264 -0.231 19151 708 1 . 1 1 137 137 SER C C 137 175.670 175.670 176.652 -0.982 19151 709 1 . 1 1 137 137 SER CA C 137 62.330 62.330 61.764 0.566 19151 710 1 . 1 1 137 137 SER CB C 137 61.380 61.380 63.168 -1.788 19151 711 1 . 1 1 137 137 SER H H 137 8.824 8.824 8.411 0.413 19151 712 1 . 1 1 138 138 ASN N N 138 123.517 123.517 121.285 2.232 19151 713 1 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.728 -0.137 19151 714 1 . 1 1 138 138 ASN C C 138 175.700 175.700 175.336 0.364 19151 715 1 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.004 0.482 19151 716 1 . 1 1 138 138 ASN CB C 138 34.253 34.253 36.219 -1.966 19151 717 1 . 1 1 138 138 ASN H H 138 8.564 8.564 8.360 0.204 19151 718 1 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.372 0.083 19151 719 1 . 1 1 139 139 PRO C C 139 180.033 180.033 178.611 1.422 19151 720 1 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.348 0.262 19151 721 1 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.383 -0.847 19151 722 1 . 1 1 140 140 TRP N N 140 119.700 119.700 121.793 -2.093 19151 723 1 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.432 -0.099 19151 724 1 . 1 1 140 140 TRP C C 140 179.195 179.195 177.959 1.236 19151 725 1 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.936 0.244 19151 726 1 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.532 1.219 19151 727 1 . 1 1 140 140 TRP H H 140 7.057 7.057 7.541 -0.484 19151 728 1 . 1 1 141 141 VAL N N 141 122.879 122.879 119.068 3.811 19151 729 1 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.691 0.045 19151 730 1 . 1 1 141 141 VAL C C 141 177.416 177.416 178.561 -1.145 19151 731 1 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.164 -0.448 19151 732 1 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.464 -0.031 19151 733 1 . 1 1 141 141 VAL H H 141 9.629 9.629 8.851 0.778 19151 734 1 . 1 1 142 142 GLU N N 142 119.965 119.965 119.572 0.393 19151 735 1 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.015 -0.283 19151 736 1 . 1 1 142 142 GLU C C 142 178.800 178.800 178.171 0.629 19151 737 1 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.339 -0.007 19151 738 1 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.748 -0.188 19151 739 1 . 1 1 142 142 GLU H H 142 8.551 8.551 8.225 0.326 19151 740 1 . 1 1 143 143 HIS N N 143 115.364 115.364 118.690 -3.326 19151 741 1 . 1 1 143 143 HIS HA H 143 4.290 4.290 4.321 -0.031 19151 742 1 . 1 1 143 143 HIS C C 143 177.840 177.840 176.652 1.188 19151 743 1 . 1 1 143 143 HIS CA C 143 59.363 59.363 59.117 0.246 19151 744 1 . 1 1 143 143 HIS CB C 143 29.362 29.362 30.246 -0.884 19151 745 1 . 1 1 143 143 HIS H H 143 7.380 7.380 7.811 -0.431 19151 746 1 . 1 1 144 144 TRP N N 144 126.680 126.680 121.943 4.737 19151 747 1 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.884 -0.550 19151 748 1 . 1 1 144 144 TRP C C 144 178.200 178.200 178.385 -0.185 19151 749 1 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.783 2.177 19151 750 1 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.372 0.153 19151 751 1 . 1 1 144 144 TRP H H 144 9.215 9.215 8.632 0.583 19151 752 1 . 1 1 145 145 GLY N N 145 100.130 100.130 105.390 -5.260 19151 753 1 . 1 1 145 145 GLY C C 145 177.391 177.391 175.454 1.937 19151 754 1 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.185 -0.425 19151 755 1 . 1 1 145 145 GLY H H 145 8.834 8.834 8.576 0.258 19151 756 1 . 1 1 146 146 THR N N 146 110.831 110.831 113.776 -2.945 19151 757 1 . 1 1 146 146 THR HA H 146 4.319 4.319 4.049 0.270 19151 758 1 . 1 1 146 146 THR C C 146 175.574 175.574 175.558 0.017 19151 759 1 . 1 1 146 146 THR CA C 146 63.260 63.260 64.074 -0.814 19151 760 1 . 1 1 146 146 THR CB C 146 69.660 69.660 68.419 1.241 19151 761 1 . 1 1 146 146 THR H H 146 7.594 7.594 7.499 0.095 19151 762 1 . 1 1 147 147 LEU N N 147 120.678 120.678 119.841 0.837 19151 763 1 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.104 -0.046 19151 764 1 . 1 1 147 147 LEU C C 147 177.176 177.176 176.323 0.853 19151 765 1 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.433 -1.120 19151 766 1 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.364 -0.136 19151 767 1 . 1 1 147 147 LEU H H 147 7.458 7.458 7.449 0.009 19151 768 1 . 1 1 148 148 LEU N N 148 117.062 117.062 118.397 -1.335 19151 769 1 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.851 -0.133 19151 770 1 . 1 1 148 148 LEU C C 148 175.570 175.570 176.711 -1.141 19151 771 1 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.168 -0.217 19151 772 1 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.007 -1.407 19151 773 1 . 1 1 148 148 LEU H H 148 6.482 6.482 6.880 -0.398 19151 stop_ save_