data_18154 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18154 _Entry.PDB_ID 2LN9 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 18154 _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 4.617 -0.388 18154 2 1 1 . 1 1 2 2 ALA C C 2 173.315 173.315 176.579 -3.264 18154 3 1 1 . 1 1 2 2 ALA CA C 2 51.580 51.580 52.331 -0.751 18154 4 1 1 . 1 1 2 2 ALA CB C 2 20.223 20.223 19.960 0.263 18154 5 1 1 . 1 1 3 3 GLU N N 3 121.874 121.874 121.298 0.576 18154 6 1 1 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.507 -0.233 18154 7 1 1 . 1 1 3 3 GLU C C 3 174.545 174.545 175.249 -0.704 18154 8 1 1 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.360 0.490 18154 9 1 1 . 1 1 3 3 GLU CB C 3 31.720 31.720 33.535 -1.815 18154 10 1 1 . 1 1 3 3 GLU H H 3 8.696 8.696 8.456 0.240 18154 11 1 1 . 1 1 4 4 ILE N N 4 120.672 120.672 124.781 -4.109 18154 12 1 1 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.759 0.350 18154 13 1 1 . 1 1 4 4 ILE C C 4 175.463 175.463 174.805 0.658 18154 14 1 1 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.034 -0.201 18154 15 1 1 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.693 2.977 18154 16 1 1 . 1 1 4 4 ILE H H 4 8.860 8.860 9.317 -0.457 18154 17 1 1 . 1 1 5 5 GLY N N 5 119.310 119.310 114.375 4.935 18154 18 1 1 . 1 1 5 5 GLY C C 5 171.260 171.260 172.630 -1.370 18154 19 1 1 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.140 0.680 18154 20 1 1 . 1 1 5 5 GLY H H 5 8.469 8.469 8.146 0.323 18154 21 1 1 . 1 1 6 6 ILE N N 6 126.915 126.915 125.943 0.972 18154 22 1 1 . 1 1 6 6 ILE HA H 6 5.190 5.190 4.868 0.322 18154 23 1 1 . 1 1 6 6 ILE C C 6 173.901 173.901 174.363 -0.462 18154 24 1 1 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.547 -0.547 18154 25 1 1 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.430 -1.430 18154 26 1 1 . 1 1 6 6 ILE H H 6 9.056 9.056 9.041 0.015 18154 27 1 1 . 1 1 7 7 PHE N N 7 127.354 127.354 127.470 -0.116 18154 28 1 1 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.294 -0.782 18154 29 1 1 . 1 1 7 7 PHE C C 7 174.230 174.230 174.889 -0.659 18154 30 1 1 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.529 1.881 18154 31 1 1 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.306 1.422 18154 32 1 1 . 1 1 7 7 PHE H H 7 8.960 8.960 9.446 -0.486 18154 33 1 1 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.046 0.014 18154 34 1 1 . 1 1 8 8 VAL C C 8 175.450 175.450 176.816 -1.366 18154 35 1 1 . 1 1 8 8 VAL CA C 8 61.200 61.200 59.511 1.689 18154 36 1 1 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.585 -0.148 18154 37 1 1 . 1 1 9 9 GLY N N 9 115.000 115.000 117.698 -2.698 18154 38 1 1 . 1 1 9 9 GLY C C 9 173.150 173.150 173.222 -0.072 18154 39 1 1 . 1 1 9 9 GLY CA C 9 45.000 45.000 45.164 -0.164 18154 40 1 1 . 1 1 9 9 GLY H H 9 9.393 9.393 8.803 0.590 18154 41 1 1 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.303 0.392 18154 42 1 1 . 1 1 12 12 TYR C C 12 176.560 176.560 177.313 -0.753 18154 43 1 1 . 1 1 12 12 TYR CA C 12 57.750 57.750 59.934 -2.184 18154 44 1 1 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.640 -0.640 18154 45 1 1 . 1 1 13 13 GLY N N 13 109.870 109.870 115.747 -5.877 18154 46 1 1 . 1 1 13 13 GLY C C 13 175.930 175.930 174.674 1.256 18154 47 1 1 . 1 1 13 13 GLY CA C 13 46.000 46.000 45.071 0.929 18154 48 1 1 . 1 1 13 13 GLY H H 13 8.500 8.500 8.129 0.371 18154 49 1 1 . 1 1 17 17 LEU HA H 17 4.230 4.230 3.967 0.263 18154 50 1 1 . 1 1 17 17 LEU C C 17 179.210 179.210 177.405 1.805 18154 51 1 1 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.843 0.557 18154 52 1 1 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.592 -0.292 18154 53 1 1 . 1 1 18 18 VAL N N 18 117.231 117.231 117.500 -0.269 18154 54 1 1 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.621 -0.298 18154 55 1 1 . 1 1 18 18 VAL C C 18 178.460 178.460 177.601 0.859 18154 56 1 1 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.188 0.678 18154 57 1 1 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.769 0.691 18154 58 1 1 . 1 1 18 18 VAL H H 18 7.645 7.645 7.825 -0.180 18154 59 1 1 . 1 1 19 19 ALA N N 19 121.820 121.820 121.844 -0.024 18154 60 1 1 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.994 -0.178 18154 61 1 1 . 1 1 19 19 ALA C C 19 178.180 178.180 179.587 -1.407 18154 62 1 1 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.625 -0.049 18154 63 1 1 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.002 1.998 18154 64 1 1 . 1 1 19 19 ALA H H 19 8.010 8.010 8.103 -0.093 18154 65 1 1 . 1 1 20 20 GLU N N 20 118.960 118.960 118.413 0.547 18154 66 1 1 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.020 -0.004 18154 67 1 1 . 1 1 20 20 GLU C C 20 180.950 180.950 179.334 1.616 18154 68 1 1 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.182 0.484 18154 69 1 1 . 1 1 20 20 GLU CB C 20 29.300 29.300 28.979 0.321 18154 70 1 1 . 1 1 20 20 GLU H H 20 8.700 8.700 7.891 0.809 18154 71 1 1 . 1 1 21 21 GLU N N 21 121.371 121.371 119.311 2.060 18154 72 1 1 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.093 -0.049 18154 73 1 1 . 1 1 21 21 GLU C C 21 179.419 179.419 178.875 0.544 18154 74 1 1 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.128 0.182 18154 75 1 1 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.297 0.264 18154 76 1 1 . 1 1 21 21 GLU H H 21 8.632 8.632 7.994 0.638 18154 77 1 1 . 1 1 22 22 ALA N N 22 121.329 121.329 122.940 -1.611 18154 78 1 1 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.036 0.022 18154 79 1 1 . 1 1 22 22 ALA C C 22 178.823 178.823 179.395 -0.572 18154 80 1 1 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.655 -0.978 18154 81 1 1 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.035 -0.392 18154 82 1 1 . 1 1 22 22 ALA H H 22 8.182 8.182 8.589 -0.407 18154 83 1 1 . 1 1 23 23 GLU N N 23 119.035 119.035 119.563 -0.528 18154 84 1 1 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.033 -0.629 18154 85 1 1 . 1 1 23 23 GLU C C 23 178.375 178.375 178.649 -0.274 18154 86 1 1 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.704 0.604 18154 87 1 1 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.517 -0.587 18154 88 1 1 . 1 1 23 23 GLU H H 23 8.387 8.387 8.345 0.042 18154 89 1 1 . 1 1 24 24 ALA N N 24 122.207 122.207 122.352 -0.145 18154 90 1 1 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.109 -0.079 18154 91 1 1 . 1 1 24 24 ALA C C 24 181.132 181.132 179.945 1.187 18154 92 1 1 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.079 0.408 18154 93 1 1 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.592 -0.592 18154 94 1 1 . 1 1 24 24 ALA H H 24 7.535 7.535 7.969 -0.434 18154 95 1 1 . 1 1 25 25 ILE N N 25 121.059 121.059 120.092 0.967 18154 96 1 1 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.742 -0.078 18154 97 1 1 . 1 1 25 25 ILE C C 25 178.419 178.419 177.878 0.541 18154 98 1 1 . 1 1 25 25 ILE CA C 25 65.108 65.108 65.965 -0.857 18154 99 1 1 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.185 0.778 18154 100 1 1 . 1 1 25 25 ILE H H 25 7.800 7.800 8.574 -0.774 18154 101 1 1 . 1 1 26 26 LEU N N 26 119.307 119.307 120.734 -1.427 18154 102 1 1 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.163 0.013 18154 103 1 1 . 1 1 26 26 LEU C C 26 179.863 179.863 179.662 0.201 18154 104 1 1 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.353 -0.407 18154 105 1 1 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.285 -0.145 18154 106 1 1 . 1 1 26 26 LEU H H 26 8.509 8.509 8.494 0.015 18154 107 1 1 . 1 1 27 27 THR N N 27 117.830 117.830 116.072 1.758 18154 108 1 1 . 1 1 27 27 THR HA H 27 4.524 4.524 4.366 0.158 18154 109 1 1 . 1 1 27 27 THR C C 27 179.027 179.027 176.254 2.773 18154 110 1 1 . 1 1 27 27 THR CA C 27 66.000 66.000 66.573 -0.573 18154 111 1 1 . 1 1 27 27 THR CB C 27 68.600 68.600 68.503 0.097 18154 112 1 1 . 1 1 27 27 THR H H 27 8.796 8.796 8.556 0.240 18154 113 1 1 . 1 1 28 28 ALA N N 28 126.313 126.313 122.284 4.029 18154 114 1 1 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.162 0.043 18154 115 1 1 . 1 1 28 28 ALA C C 28 179.360 179.360 179.506 -0.146 18154 116 1 1 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.270 0.730 18154 117 1 1 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.246 -0.596 18154 118 1 1 . 1 1 28 28 ALA H H 28 7.832 7.832 7.797 0.035 18154 119 1 1 . 1 1 29 29 GLN N N 29 115.527 115.527 116.447 -0.920 18154 120 1 1 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.158 -0.031 18154 121 1 1 . 1 1 29 29 GLN C C 29 176.547 176.547 177.001 -0.454 18154 122 1 1 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.810 -0.247 18154 123 1 1 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.632 -0.222 18154 124 1 1 . 1 1 29 29 GLN H H 29 7.353 7.353 8.287 -0.934 18154 125 1 1 . 1 1 30 30 GLY N N 30 105.961 105.961 106.081 -0.120 18154 126 1 1 . 1 1 30 30 GLY C C 30 174.785 174.785 173.816 0.969 18154 127 1 1 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.558 -0.058 18154 128 1 1 . 1 1 30 30 GLY H H 30 7.923 7.923 7.666 0.257 18154 129 1 1 . 1 1 31 31 HIS N N 31 119.471 119.471 117.850 1.621 18154 130 1 1 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.860 -0.025 18154 131 1 1 . 1 1 31 31 HIS C C 31 174.665 174.665 173.969 0.696 18154 132 1 1 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.831 1.010 18154 133 1 1 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.547 0.452 18154 134 1 1 . 1 1 31 31 HIS H H 31 7.558 7.558 8.105 -0.547 18154 135 1 1 . 1 1 32 32 LYS N N 32 121.854 121.854 120.631 1.223 18154 136 1 1 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.596 0.127 18154 137 1 1 . 1 1 32 32 LYS C C 32 174.466 174.466 174.480 -0.014 18154 138 1 1 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.661 0.204 18154 139 1 1 . 1 1 32 32 LYS CB C 32 32.960 32.960 33.101 -0.141 18154 140 1 1 . 1 1 32 32 LYS H H 32 8.665 8.665 8.487 0.178 18154 141 1 1 . 1 1 33 33 ALA N N 33 130.188 130.188 129.087 1.101 18154 142 1 1 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.699 0.119 18154 143 1 1 . 1 1 33 33 ALA C C 33 175.567 175.567 176.226 -0.659 18154 144 1 1 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.581 -0.605 18154 145 1 1 . 1 1 33 33 ALA CB C 33 22.297 22.297 22.240 0.057 18154 146 1 1 . 1 1 33 33 ALA H H 33 8.837 8.837 8.045 0.792 18154 147 1 1 . 1 1 34 34 THR N N 34 117.164 117.164 116.616 0.548 18154 148 1 1 . 1 1 34 34 THR HA H 34 4.359 4.359 4.568 -0.209 18154 149 1 1 . 1 1 34 34 THR C C 34 171.315 171.315 172.678 -1.363 18154 150 1 1 . 1 1 34 34 THR CA C 34 61.840 61.840 60.890 0.950 18154 151 1 1 . 1 1 34 34 THR CB C 34 71.800 71.800 71.963 -0.163 18154 152 1 1 . 1 1 34 34 THR H H 34 7.826 7.826 8.774 -0.948 18154 153 1 1 . 1 1 35 35 VAL N N 35 126.650 126.650 122.184 4.466 18154 154 1 1 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.569 -0.386 18154 155 1 1 . 1 1 35 35 VAL C C 35 174.675 174.675 175.184 -0.509 18154 156 1 1 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.558 0.370 18154 157 1 1 . 1 1 35 35 VAL CB C 35 32.650 32.650 33.014 -0.364 18154 158 1 1 . 1 1 35 35 VAL H H 35 8.496 8.496 8.360 0.136 18154 159 1 1 . 1 1 36 36 PHE N N 36 127.630 127.630 126.387 1.243 18154 160 1 1 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.732 -0.181 18154 161 1 1 . 1 1 36 36 PHE C C 36 174.347 174.347 174.508 -0.161 18154 162 1 1 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.554 0.928 18154 163 1 1 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.834 -0.669 18154 164 1 1 . 1 1 36 36 PHE H H 36 9.164 9.164 9.310 -0.146 18154 165 1 1 . 1 1 37 37 GLU N N 37 123.516 123.516 123.845 -0.329 18154 166 1 1 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.480 -0.010 18154 167 1 1 . 1 1 37 37 GLU C C 37 175.954 175.954 176.812 -0.858 18154 168 1 1 . 1 1 37 37 GLU CA C 37 55.719 55.719 55.945 -0.226 18154 169 1 1 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.569 0.891 18154 170 1 1 . 1 1 37 37 GLU H H 37 8.455 8.455 8.755 -0.300 18154 171 1 1 . 1 1 38 38 ASP N N 38 120.395 120.395 120.924 -0.529 18154 172 1 1 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.406 0.427 18154 173 1 1 . 1 1 38 38 ASP C C 38 173.920 173.920 174.458 -0.538 18154 174 1 1 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.224 0.253 18154 175 1 1 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.460 0.144 18154 176 1 1 . 1 1 38 38 ASP H H 38 9.602 9.602 8.594 1.008 18154 177 1 1 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.515 0.165 18154 178 1 1 . 1 1 39 39 PRO C C 39 176.274 176.274 176.360 -0.086 18154 179 1 1 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.459 -0.475 18154 180 1 1 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.633 1.767 18154 181 1 1 . 1 1 40 40 GLU N N 40 119.026 119.026 122.566 -3.540 18154 182 1 1 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.452 0.276 18154 183 1 1 . 1 1 40 40 GLU C C 40 177.827 177.827 177.903 -0.076 18154 184 1 1 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.969 -0.999 18154 185 1 1 . 1 1 40 40 GLU CB C 40 33.400 33.400 30.997 2.403 18154 186 1 1 . 1 1 40 40 GLU H H 40 9.178 9.178 8.786 0.392 18154 187 1 1 . 1 1 41 41 LEU N N 41 123.708 123.708 124.058 -0.350 18154 188 1 1 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.203 -0.309 18154 189 1 1 . 1 1 41 41 LEU C C 41 178.730 178.730 177.887 0.843 18154 190 1 1 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.215 1.192 18154 191 1 1 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.965 -0.312 18154 192 1 1 . 1 1 41 41 LEU H H 41 9.160 9.160 8.555 0.605 18154 193 1 1 . 1 1 42 42 SER N N 42 110.500 110.500 114.975 -4.475 18154 194 1 1 . 1 1 42 42 SER HA H 42 4.010 4.010 4.250 -0.240 18154 195 1 1 . 1 1 42 42 SER C C 42 176.300 176.300 175.294 1.006 18154 196 1 1 . 1 1 42 42 SER CA C 42 61.600 61.600 61.010 0.590 18154 197 1 1 . 1 1 42 42 SER CB C 42 62.140 62.140 62.962 -0.822 18154 198 1 1 . 1 1 42 42 SER H H 42 8.415 8.415 8.044 0.371 18154 199 1 1 . 1 1 43 43 ASP N N 43 119.770 119.770 120.235 -0.465 18154 200 1 1 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.743 -0.286 18154 201 1 1 . 1 1 43 43 ASP C C 43 176.150 176.150 176.073 0.077 18154 202 1 1 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.344 1.406 18154 203 1 1 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.185 1.515 18154 204 1 1 . 1 1 43 43 ASP H H 43 7.690 7.690 7.701 -0.011 18154 205 1 1 . 1 1 44 44 TRP N N 44 118.500 118.500 121.347 -2.847 18154 206 1 1 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.174 0.036 18154 207 1 1 . 1 1 44 44 TRP C C 44 177.150 177.150 177.332 -0.182 18154 208 1 1 . 1 1 44 44 TRP CA C 44 59.387 59.387 59.057 0.330 18154 209 1 1 . 1 1 44 44 TRP CB C 44 30.310 30.310 29.949 0.361 18154 210 1 1 . 1 1 44 44 TRP H H 44 7.464 7.464 7.361 0.103 18154 211 1 1 . 1 1 45 45 LEU N N 45 114.100 114.100 120.942 -6.842 18154 212 1 1 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.043 0.132 18154 213 1 1 . 1 1 45 45 LEU C C 45 176.300 176.300 175.596 0.704 18154 214 1 1 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.210 -0.650 18154 215 1 1 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.456 -0.236 18154 216 1 1 . 1 1 45 45 LEU H H 45 7.550 7.550 8.414 -0.864 18154 217 1 1 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.186 0.194 18154 218 1 1 . 1 1 46 46 PRO C C 46 176.799 176.799 177.360 -0.561 18154 219 1 1 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.639 0.647 18154 220 1 1 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.153 0.447 18154 221 1 1 . 1 1 47 47 TYR N N 47 113.790 113.790 115.558 -1.768 18154 222 1 1 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.577 -0.457 18154 223 1 1 . 1 1 47 47 TYR C C 47 175.730 175.730 177.556 -1.826 18154 224 1 1 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.361 1.839 18154 225 1 1 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.101 0.915 18154 226 1 1 . 1 1 47 47 TYR H H 47 8.291 8.291 8.157 0.134 18154 227 1 1 . 1 1 48 48 GLN N N 48 116.524 116.524 120.011 -3.487 18154 228 1 1 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.990 -0.105 18154 229 1 1 . 1 1 48 48 GLN C C 48 174.381 174.381 175.919 -1.538 18154 230 1 1 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.651 0.174 18154 231 1 1 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.924 2.075 18154 232 1 1 . 1 1 48 48 GLN H H 48 7.300 7.300 7.487 -0.187 18154 233 1 1 . 1 1 49 49 ASP N N 49 114.657 114.657 112.461 2.196 18154 234 1 1 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.678 0.009 18154 235 1 1 . 1 1 49 49 ASP C C 49 176.307 176.307 175.603 0.704 18154 236 1 1 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.714 -1.979 18154 237 1 1 . 1 1 49 49 ASP CB C 49 40.200 40.200 40.734 -0.534 18154 238 1 1 . 1 1 49 49 ASP H H 49 7.854 7.854 8.406 -0.552 18154 239 1 1 . 1 1 50 50 LYS N N 50 123.514 123.514 119.352 4.162 18154 240 1 1 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.309 0.281 18154 241 1 1 . 1 1 50 50 LYS C C 50 172.964 172.964 175.001 -2.037 18154 242 1 1 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.475 -0.782 18154 243 1 1 . 1 1 50 50 LYS CB C 50 33.355 33.355 35.308 -1.953 18154 244 1 1 . 1 1 50 50 LYS H H 50 7.833 7.833 7.360 0.473 18154 245 1 1 . 1 1 51 51 TYR N N 51 118.375 118.375 115.399 2.976 18154 246 1 1 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.719 0.336 18154 247 1 1 . 1 1 51 51 TYR C C 51 175.875 175.875 175.999 -0.124 18154 248 1 1 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.524 0.897 18154 249 1 1 . 1 1 51 51 TYR CB C 51 42.477 42.477 41.533 0.944 18154 250 1 1 . 1 1 51 51 TYR H H 51 7.745 7.745 8.180 -0.435 18154 251 1 1 . 1 1 52 52 VAL N N 52 112.527 112.527 115.818 -3.291 18154 252 1 1 . 1 1 52 52 VAL HA H 52 5.500 5.500 5.000 0.500 18154 253 1 1 . 1 1 52 52 VAL C C 52 173.910 173.910 174.059 -0.149 18154 254 1 1 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.414 -1.718 18154 255 1 1 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.155 1.337 18154 256 1 1 . 1 1 52 52 VAL H H 52 8.673 8.673 8.353 0.320 18154 257 1 1 . 1 1 53 53 LEU N N 53 124.294 124.294 126.175 -1.881 18154 258 1 1 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.201 -0.301 18154 259 1 1 . 1 1 53 53 LEU C C 53 175.070 175.070 174.458 0.612 18154 260 1 1 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.163 -0.597 18154 261 1 1 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.386 -1.156 18154 262 1 1 . 1 1 53 53 LEU H H 53 9.137 9.137 9.147 -0.010 18154 263 1 1 . 1 1 54 54 VAL N N 54 127.850 127.850 126.603 1.247 18154 264 1 1 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.837 -0.327 18154 265 1 1 . 1 1 54 54 VAL C C 54 174.030 174.030 174.700 -0.670 18154 266 1 1 . 1 1 54 54 VAL CA C 54 61.825 61.825 60.079 1.746 18154 267 1 1 . 1 1 54 54 VAL CB C 54 32.691 32.691 32.657 0.034 18154 268 1 1 . 1 1 54 54 VAL H H 54 8.619 8.619 8.851 -0.232 18154 269 1 1 . 1 1 55 55 VAL N N 55 127.181 127.181 127.584 -0.403 18154 270 1 1 . 1 1 55 55 VAL HA H 55 5.085 5.085 5.096 -0.011 18154 271 1 1 . 1 1 55 55 VAL C C 55 174.942 174.942 174.706 0.236 18154 272 1 1 . 1 1 55 55 VAL CA C 55 60.069 60.069 61.231 -1.162 18154 273 1 1 . 1 1 55 55 VAL CB C 55 33.222 33.222 34.891 -1.669 18154 274 1 1 . 1 1 55 55 VAL H H 55 8.578 8.578 8.564 0.014 18154 275 1 1 . 1 1 56 56 THR N N 56 117.420 117.420 120.262 -2.842 18154 276 1 1 . 1 1 56 56 THR HA H 56 5.590 5.590 4.683 0.907 18154 277 1 1 . 1 1 56 56 THR C C 56 172.640 172.640 172.875 -0.235 18154 278 1 1 . 1 1 56 56 THR CA C 56 59.359 59.359 61.516 -2.157 18154 279 1 1 . 1 1 56 56 THR CB C 56 70.715 70.715 70.418 0.297 18154 280 1 1 . 1 1 56 56 THR H H 56 8.710 8.710 8.487 0.223 18154 281 1 1 . 1 1 57 57 SER HA H 57 5.250 5.250 4.910 0.340 18154 282 1 1 . 1 1 57 57 SER CA C 57 57.730 57.730 58.130 -0.400 18154 283 1 1 . 1 1 57 57 SER CB C 57 64.500 64.500 64.651 -0.151 18154 284 1 1 . 1 1 57 57 SER H H 57 8.075 8.075 8.981 -0.906 18154 285 1 1 . 1 1 58 58 THR H H 58 7.900 7.900 7.412 0.488 18154 286 1 1 . 1 1 59 59 THR HA H 59 4.900 4.900 3.845 1.055 18154 287 1 1 . 1 1 59 59 THR CA C 59 61.200 61.200 66.861 -5.661 18154 288 1 1 . 1 1 59 59 THR CB C 59 73.400 73.400 69.031 4.369 18154 289 1 1 . 1 1 59 59 THR H H 59 9.230 9.230 7.944 1.286 18154 290 1 1 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.924 0.576 18154 291 1 1 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.304 0.102 18154 292 1 1 . 1 1 61 61 GLN C C 61 175.950 175.950 176.492 -0.542 18154 293 1 1 . 1 1 61 61 GLN CA C 61 55.350 55.350 55.262 0.088 18154 294 1 1 . 1 1 61 61 GLN CB C 61 29.160 29.160 27.734 1.426 18154 295 1 1 . 1 1 62 62 GLY N N 62 108.420 108.420 107.612 0.808 18154 296 1 1 . 1 1 62 62 GLY C C 62 173.134 173.134 174.630 -1.496 18154 297 1 1 . 1 1 62 62 GLY CA C 62 45.784 45.784 45.146 0.638 18154 298 1 1 . 1 1 62 62 GLY H H 62 8.073 8.073 7.802 0.271 18154 299 1 1 . 1 1 63 63 ASP N N 63 118.400 118.400 120.596 -2.196 18154 300 1 1 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.545 0.235 18154 301 1 1 . 1 1 63 63 ASP CA C 63 53.296 53.296 54.328 -1.032 18154 302 1 1 . 1 1 63 63 ASP CB C 63 42.740 42.740 41.749 0.991 18154 303 1 1 . 1 1 63 63 ASP H H 63 7.248 7.248 8.123 -0.875 18154 304 1 1 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.020 0.380 18154 305 1 1 . 1 1 64 64 LEU CA C 64 53.150 53.150 54.420 -1.270 18154 306 1 1 . 1 1 64 64 LEU CB C 64 41.687 41.687 41.020 0.667 18154 307 1 1 . 1 1 64 64 LEU H H 64 8.445 8.445 7.359 1.086 18154 308 1 1 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.523 -0.230 18154 309 1 1 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.394 -0.050 18154 310 1 1 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.664 -0.184 18154 311 1 1 . 1 1 66 66 ASP N N 66 121.200 121.200 120.893 0.307 18154 312 1 1 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.364 -0.104 18154 313 1 1 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.531 1.099 18154 314 1 1 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.717 0.083 18154 315 1 1 . 1 1 66 66 ASP H H 66 8.605 8.605 8.839 -0.234 18154 316 1 1 . 1 1 67 67 SER HA H 67 4.292 4.292 4.431 -0.139 18154 317 1 1 . 1 1 67 67 SER C C 67 175.650 175.650 175.037 0.613 18154 318 1 1 . 1 1 67 67 SER CA C 67 60.500 60.500 60.111 0.389 18154 319 1 1 . 1 1 67 67 SER CB C 67 63.530 63.530 63.806 -0.276 18154 320 1 1 . 1 1 68 68 ILE N N 68 120.550 120.550 121.384 -0.834 18154 321 1 1 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.424 0.686 18154 322 1 1 . 1 1 68 68 ILE C C 68 174.713 174.713 176.624 -1.911 18154 323 1 1 . 1 1 68 68 ILE CA C 68 60.400 60.400 61.288 -0.888 18154 324 1 1 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.281 3.959 18154 325 1 1 . 1 1 68 68 ILE H H 68 7.870 7.870 7.669 0.201 18154 326 1 1 . 1 1 69 69 VAL N N 69 125.740 125.740 123.381 2.359 18154 327 1 1 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.723 0.022 18154 328 1 1 . 1 1 69 69 VAL C C 69 174.500 174.500 174.579 -0.079 18154 329 1 1 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.444 -0.894 18154 330 1 1 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.063 1.067 18154 331 1 1 . 1 1 69 69 VAL H H 69 7.428 7.428 8.332 -0.904 18154 332 1 1 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.309 -0.017 18154 333 1 1 . 1 1 70 70 PRO C C 70 180.820 180.820 178.757 2.063 18154 334 1 1 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.147 0.324 18154 335 1 1 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.170 -0.513 18154 336 1 1 . 1 1 71 71 LEU N N 71 119.467 119.467 120.194 -0.727 18154 337 1 1 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.015 -0.170 18154 338 1 1 . 1 1 71 71 LEU C C 71 176.489 176.489 178.075 -1.586 18154 339 1 1 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.985 0.222 18154 340 1 1 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.766 -0.280 18154 341 1 1 . 1 1 71 71 LEU H H 71 7.918 7.918 7.644 0.274 18154 342 1 1 . 1 1 72 72 PHE N N 72 119.361 119.361 119.979 -0.618 18154 343 1 1 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.243 -0.098 18154 344 1 1 . 1 1 72 72 PHE C C 72 175.968 175.968 176.871 -0.903 18154 345 1 1 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.831 -0.010 18154 346 1 1 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.605 0.942 18154 347 1 1 . 1 1 72 72 PHE H H 72 7.903 7.903 8.835 -0.932 18154 348 1 1 . 1 1 73 73 GLN N N 73 116.100 116.100 116.743 -0.643 18154 349 1 1 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.833 -0.306 18154 350 1 1 . 1 1 73 73 GLN C C 73 177.871 177.871 178.672 -0.801 18154 351 1 1 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.779 -0.639 18154 352 1 1 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.124 0.023 18154 353 1 1 . 1 1 73 73 GLN H H 73 9.042 9.042 8.684 0.358 18154 354 1 1 . 1 1 74 74 GLY N N 74 107.110 107.110 108.413 -1.303 18154 355 1 1 . 1 1 74 74 GLY C C 74 175.894 175.894 176.419 -0.525 18154 356 1 1 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.913 0.367 18154 357 1 1 . 1 1 74 74 GLY H H 74 8.045 8.045 8.200 -0.155 18154 358 1 1 . 1 1 75 75 ILE N N 75 123.629 123.629 122.752 0.877 18154 359 1 1 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.351 -0.301 18154 360 1 1 . 1 1 75 75 ILE C C 75 178.622 178.622 177.138 1.484 18154 361 1 1 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.873 0.385 18154 362 1 1 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.470 0.498 18154 363 1 1 . 1 1 75 75 ILE H H 75 8.174 8.174 8.031 0.143 18154 364 1 1 . 1 1 76 76 LYS N N 76 119.363 119.363 118.447 0.916 18154 365 1 1 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.753 -0.448 18154 366 1 1 . 1 1 76 76 LYS C C 76 177.909 177.909 178.296 -0.387 18154 367 1 1 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.276 0.429 18154 368 1 1 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.895 0.455 18154 369 1 1 . 1 1 76 76 LYS H H 76 7.600 7.600 7.425 0.175 18154 370 1 1 . 1 1 77 77 ASP N N 77 115.190 115.190 118.336 -3.146 18154 371 1 1 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.603 -0.121 18154 372 1 1 . 1 1 77 77 ASP C C 77 178.825 178.825 178.203 0.622 18154 373 1 1 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.949 0.331 18154 374 1 1 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.761 -0.571 18154 375 1 1 . 1 1 77 77 ASP H H 77 8.482 8.482 8.249 0.233 18154 376 1 1 . 1 1 78 78 SER N N 78 112.576 112.576 115.768 -3.192 18154 377 1 1 . 1 1 78 78 SER HA H 78 4.728 4.728 4.390 0.338 18154 378 1 1 . 1 1 78 78 SER C C 78 174.556 174.556 175.024 -0.468 18154 379 1 1 . 1 1 78 78 SER CA C 78 60.045 60.045 59.786 0.259 18154 380 1 1 . 1 1 78 78 SER CB C 78 64.643 64.643 64.054 0.589 18154 381 1 1 . 1 1 78 78 SER H H 78 8.273 8.273 7.964 0.309 18154 382 1 1 . 1 1 79 79 LEU N N 79 120.833 120.833 120.703 0.130 18154 383 1 1 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.438 0.377 18154 384 1 1 . 1 1 79 79 LEU C C 79 176.251 176.251 178.737 -2.486 18154 385 1 1 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.253 -2.293 18154 386 1 1 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.017 -2.821 18154 387 1 1 . 1 1 79 79 LEU H H 79 7.025 7.025 7.642 -0.617 18154 388 1 1 . 1 1 80 80 GLY N N 80 108.861 108.861 106.877 1.984 18154 389 1 1 . 1 1 80 80 GLY C C 80 173.623 173.623 173.551 0.072 18154 390 1 1 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.340 -0.112 18154 391 1 1 . 1 1 80 80 GLY H H 80 7.499 7.499 8.160 -0.661 18154 392 1 1 . 1 1 81 81 PHE N N 81 121.441 121.441 119.872 1.569 18154 393 1 1 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.988 0.072 18154 394 1 1 . 1 1 81 81 PHE C C 81 174.411 174.411 172.595 1.816 18154 395 1 1 . 1 1 81 81 PHE CA C 81 57.211 57.211 56.377 0.834 18154 396 1 1 . 1 1 81 81 PHE CB C 81 40.620 40.620 42.061 -1.441 18154 397 1 1 . 1 1 81 81 PHE H H 81 8.018 8.018 7.556 0.462 18154 398 1 1 . 1 1 82 82 GLN N N 82 126.480 126.480 123.571 2.909 18154 399 1 1 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.638 0.252 18154 400 1 1 . 1 1 82 82 GLN C C 82 172.700 172.700 173.585 -0.885 18154 401 1 1 . 1 1 82 82 GLN CA C 82 54.177 54.177 51.792 2.385 18154 402 1 1 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.439 2.161 18154 403 1 1 . 1 1 82 82 GLN H H 82 9.588 9.588 7.444 2.144 18154 404 1 1 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.105 0.268 18154 405 1 1 . 1 1 83 83 PRO C C 83 178.163 178.163 176.640 1.523 18154 406 1 1 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.490 -0.799 18154 407 1 1 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.443 -0.578 18154 408 1 1 . 1 1 84 84 ASN N N 84 116.900 116.900 113.822 3.078 18154 409 1 1 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.865 -0.096 18154 410 1 1 . 1 1 84 84 ASN C C 84 173.332 173.332 173.741 -0.409 18154 411 1 1 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.505 0.055 18154 412 1 1 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.796 -1.536 18154 413 1 1 . 1 1 84 84 ASN H H 84 8.578 8.578 8.092 0.486 18154 414 1 1 . 1 1 85 85 LEU N N 85 124.380 124.380 122.339 2.041 18154 415 1 1 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.363 -0.317 18154 416 1 1 . 1 1 85 85 LEU C C 85 175.880 175.880 176.039 -0.159 18154 417 1 1 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.916 0.926 18154 418 1 1 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.143 -0.843 18154 419 1 1 . 1 1 85 85 LEU H H 85 7.240 7.240 7.821 -0.581 18154 420 1 1 . 1 1 86 86 ARG N N 86 128.715 128.715 123.710 5.005 18154 421 1 1 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.687 0.107 18154 422 1 1 . 1 1 86 86 ARG C C 86 175.554 175.554 175.554 0.000 18154 423 1 1 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.587 0.855 18154 424 1 1 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.395 -0.522 18154 425 1 1 . 1 1 86 86 ARG H H 86 7.732 7.732 8.191 -0.459 18154 426 1 1 . 1 1 87 87 TYR N N 87 117.420 117.420 118.262 -0.842 18154 427 1 1 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.825 0.940 18154 428 1 1 . 1 1 87 87 TYR C C 87 172.931 172.931 173.515 -0.584 18154 429 1 1 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.054 -0.793 18154 430 1 1 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.790 3.148 18154 431 1 1 . 1 1 87 87 TYR H H 87 8.783 8.783 8.168 0.615 18154 432 1 1 . 1 1 88 88 GLY N N 88 107.765 107.765 105.637 2.128 18154 433 1 1 . 1 1 88 88 GLY C C 88 172.621 172.621 171.711 0.910 18154 434 1 1 . 1 1 88 88 GLY CA C 88 43.861 43.861 43.563 0.298 18154 435 1 1 . 1 1 88 88 GLY H H 88 8.905 8.905 8.876 0.029 18154 436 1 1 . 1 1 89 89 VAL N N 89 118.180 118.180 118.620 -0.440 18154 437 1 1 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.892 0.109 18154 438 1 1 . 1 1 89 89 VAL C C 89 172.939 172.939 173.806 -0.867 18154 439 1 1 . 1 1 89 89 VAL CA C 89 60.999 60.999 61.041 -0.042 18154 440 1 1 . 1 1 89 89 VAL CB C 89 36.398 36.398 36.392 0.007 18154 441 1 1 . 1 1 89 89 VAL H H 89 7.499 7.499 8.312 -0.813 18154 442 1 1 . 1 1 90 90 ILE N N 90 125.000 125.000 124.117 0.883 18154 443 1 1 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.523 -0.396 18154 444 1 1 . 1 1 90 90 ILE C C 90 173.099 173.099 173.946 -0.847 18154 445 1 1 . 1 1 90 90 ILE CA C 90 60.488 60.488 60.106 0.382 18154 446 1 1 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.730 -0.332 18154 447 1 1 . 1 1 90 90 ILE H H 90 8.810 8.810 8.874 -0.064 18154 448 1 1 . 1 1 91 91 ALA N N 91 129.036 129.036 129.810 -0.774 18154 449 1 1 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.272 0.054 18154 450 1 1 . 1 1 91 91 ALA C C 91 174.000 174.000 175.797 -1.797 18154 451 1 1 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.968 -0.968 18154 452 1 1 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.064 1.036 18154 453 1 1 . 1 1 91 91 ALA H H 91 9.253 9.253 9.007 0.246 18154 454 1 1 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.169 -0.238 18154 455 1 1 . 1 1 92 92 LEU C C 92 177.366 177.366 176.521 0.845 18154 456 1 1 . 1 1 92 92 LEU CA C 92 54.917 54.917 53.975 0.942 18154 457 1 1 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.284 -2.884 18154 458 1 1 . 1 1 93 93 GLY N N 93 110.663 110.663 106.979 3.684 18154 459 1 1 . 1 1 93 93 GLY C C 93 172.029 172.029 171.617 0.412 18154 460 1 1 . 1 1 93 93 GLY CA C 93 45.730 45.730 46.136 -0.406 18154 461 1 1 . 1 1 93 93 GLY H H 93 8.687 8.687 8.399 0.288 18154 462 1 1 . 1 1 94 94 ASP N N 94 119.304 119.304 121.464 -2.160 18154 463 1 1 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.561 -0.301 18154 464 1 1 . 1 1 94 94 ASP C C 94 176.978 176.978 177.204 -0.226 18154 465 1 1 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.075 1.532 18154 466 1 1 . 1 1 94 94 ASP CB C 94 43.000 43.000 42.134 0.866 18154 467 1 1 . 1 1 94 94 ASP H H 94 8.129 8.129 8.552 -0.423 18154 468 1 1 . 1 1 95 95 SER N N 95 123.897 123.897 122.416 1.481 18154 469 1 1 . 1 1 95 95 SER HA H 95 3.895 3.895 4.158 -0.263 18154 470 1 1 . 1 1 95 95 SER C C 95 175.243 175.243 174.946 0.297 18154 471 1 1 . 1 1 95 95 SER CA C 95 60.183 60.183 60.381 -0.198 18154 472 1 1 . 1 1 95 95 SER CB C 95 61.700 61.700 62.456 -0.756 18154 473 1 1 . 1 1 95 95 SER H H 95 8.878 8.878 9.341 -0.463 18154 474 1 1 . 1 1 96 96 SER N N 96 119.248 119.248 115.450 3.798 18154 475 1 1 . 1 1 96 96 SER HA H 96 4.209 4.209 4.232 -0.023 18154 476 1 1 . 1 1 96 96 SER C C 96 173.900 173.900 174.822 -0.922 18154 477 1 1 . 1 1 96 96 SER CA C 96 60.197 60.197 59.601 0.596 18154 478 1 1 . 1 1 96 96 SER CB C 96 63.000 63.000 63.539 -0.539 18154 479 1 1 . 1 1 96 96 SER H H 96 9.124 9.124 8.209 0.915 18154 480 1 1 . 1 1 97 97 TYR N N 97 120.889 120.889 121.005 -0.116 18154 481 1 1 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.374 0.514 18154 482 1 1 . 1 1 97 97 TYR C C 97 175.972 175.972 177.251 -1.279 18154 483 1 1 . 1 1 97 97 TYR CA C 97 55.750 55.750 59.133 -3.383 18154 484 1 1 . 1 1 97 97 TYR CB C 97 39.820 39.820 38.935 0.885 18154 485 1 1 . 1 1 97 97 TYR H H 97 7.664 7.664 7.846 -0.182 18154 486 1 1 . 1 1 98 98 VAL N N 98 116.952 116.952 120.788 -3.836 18154 487 1 1 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.835 0.225 18154 488 1 1 . 1 1 98 98 VAL C C 98 175.969 175.969 177.249 -1.280 18154 489 1 1 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.177 -2.337 18154 490 1 1 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.801 0.799 18154 491 1 1 . 1 1 98 98 VAL H H 98 7.970 7.970 8.519 -0.549 18154 492 1 1 . 1 1 99 99 ASN N N 99 118.156 118.156 118.786 -0.630 18154 493 1 1 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.736 -0.225 18154 494 1 1 . 1 1 99 99 ASN C C 99 174.329 174.329 174.125 0.204 18154 495 1 1 . 1 1 99 99 ASN CA C 99 53.031 53.031 52.801 0.230 18154 496 1 1 . 1 1 99 99 ASN CB C 99 37.238 37.238 36.973 0.265 18154 497 1 1 . 1 1 99 99 ASN H H 99 8.296 8.296 8.495 -0.199 18154 498 1 1 . 1 1 100 100 PHE N N 100 118.649 118.649 122.384 -3.735 18154 499 1 1 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.329 0.086 18154 500 1 1 . 1 1 100 100 PHE C C 100 174.400 174.400 175.959 -1.559 18154 501 1 1 . 1 1 100 100 PHE CA C 100 58.190 58.190 60.053 -1.863 18154 502 1 1 . 1 1 100 100 PHE CB C 100 39.679 39.679 39.353 0.326 18154 503 1 1 . 1 1 100 100 PHE H H 100 7.855 7.855 7.731 0.124 18154 504 1 1 . 1 1 101 101 CYS HA H 101 3.585 3.585 3.675 -0.090 18154 505 1 1 . 1 1 101 101 CYS CA C 101 62.740 62.740 60.231 2.509 18154 506 1 1 . 1 1 101 101 CYS CB C 101 26.000 26.000 25.700 0.300 18154 507 1 1 . 1 1 101 101 CYS H H 101 9.240 9.240 8.630 0.610 18154 508 1 1 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.488 -0.268 18154 509 1 1 . 1 1 102 102 ASN CA C 102 57.200 57.200 55.758 1.442 18154 510 1 1 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.631 -0.031 18154 511 1 1 . 1 1 102 102 ASN H H 102 8.300 8.300 8.057 0.243 18154 512 1 1 . 1 1 103 103 GLY C C 103 175.690 175.690 175.794 -0.104 18154 513 1 1 . 1 1 103 103 GLY CA C 103 47.350 47.350 46.980 0.369 18154 514 1 1 . 1 1 104 104 GLY N N 104 106.150 106.150 109.963 -3.813 18154 515 1 1 . 1 1 104 104 GLY C C 104 174.570 174.570 176.154 -1.584 18154 516 1 1 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.527 0.823 18154 517 1 1 . 1 1 104 104 GLY H H 104 7.108 7.108 7.669 -0.561 18154 518 1 1 . 1 1 105 105 LYS N N 105 120.732 120.732 122.498 -1.766 18154 519 1 1 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.939 -0.002 18154 520 1 1 . 1 1 105 105 LYS C C 105 179.706 179.706 179.045 0.661 18154 521 1 1 . 1 1 105 105 LYS CA C 105 60.308 60.308 60.066 0.242 18154 522 1 1 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.279 -0.482 18154 523 1 1 . 1 1 105 105 LYS H H 105 7.708 7.708 7.739 -0.031 18154 524 1 1 . 1 1 106 106 GLN N N 106 119.087 119.087 118.867 0.220 18154 525 1 1 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.076 0.066 18154 526 1 1 . 1 1 106 106 GLN C C 106 179.418 179.418 178.489 0.929 18154 527 1 1 . 1 1 106 106 GLN CA C 106 58.875 58.875 59.381 -0.506 18154 528 1 1 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.640 0.120 18154 529 1 1 . 1 1 106 106 GLN H H 106 8.738 8.738 8.632 0.106 18154 530 1 1 . 1 1 107 107 PHE N N 107 123.088 123.088 120.074 3.014 18154 531 1 1 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.391 -0.141 18154 532 1 1 . 1 1 107 107 PHE C C 107 178.403 178.403 177.601 0.802 18154 533 1 1 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.447 0.739 18154 534 1 1 . 1 1 107 107 PHE CB C 107 39.451 39.451 39.160 0.291 18154 535 1 1 . 1 1 107 107 PHE H H 107 7.922 7.922 8.276 -0.354 18154 536 1 1 . 1 1 108 108 ASP N N 108 117.118 117.118 120.516 -3.398 18154 537 1 1 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.459 -0.085 18154 538 1 1 . 1 1 108 108 ASP C C 108 176.973 176.973 178.344 -1.371 18154 539 1 1 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.722 0.707 18154 540 1 1 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.089 3.034 18154 541 1 1 . 1 1 108 108 ASP H H 108 8.305 8.305 8.516 -0.211 18154 542 1 1 . 1 1 109 109 ALA N N 109 118.590 118.590 122.170 -3.580 18154 543 1 1 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.059 -0.009 18154 544 1 1 . 1 1 109 109 ALA C C 109 180.430 180.430 179.351 1.079 18154 545 1 1 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.053 0.143 18154 546 1 1 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.615 -0.508 18154 547 1 1 . 1 1 109 109 ALA H H 109 8.332 8.332 8.360 -0.028 18154 548 1 1 . 1 1 110 110 LEU N N 110 120.402 120.402 119.702 0.700 18154 549 1 1 . 1 1 110 110 LEU HA H 110 4.085 4.085 4.018 0.067 18154 550 1 1 . 1 1 110 110 LEU C C 110 177.801 177.801 178.769 -0.968 18154 551 1 1 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.720 -0.080 18154 552 1 1 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.713 1.043 18154 553 1 1 . 1 1 110 110 LEU H H 110 7.868 7.868 8.100 -0.232 18154 554 1 1 . 1 1 111 111 LEU N N 111 116.945 116.945 116.964 -0.019 18154 555 1 1 . 1 1 111 111 LEU HA H 111 3.718 3.718 4.064 -0.346 18154 556 1 1 . 1 1 111 111 LEU C C 111 179.838 179.838 179.810 0.028 18154 557 1 1 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.141 0.824 18154 558 1 1 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.233 -2.373 18154 559 1 1 . 1 1 111 111 LEU H H 111 7.704 7.704 7.245 0.459 18154 560 1 1 . 1 1 112 112 GLN N N 112 118.484 118.484 117.297 1.187 18154 561 1 1 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.156 -0.015 18154 562 1 1 . 1 1 112 112 GLN C C 112 181.218 181.218 178.059 3.159 18154 563 1 1 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.740 1.226 18154 564 1 1 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.284 0.977 18154 565 1 1 . 1 1 112 112 GLN H H 112 8.441 8.441 8.017 0.424 18154 566 1 1 . 1 1 113 113 GLU N N 113 122.905 122.905 115.839 7.066 18154 567 1 1 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.160 0.021 18154 568 1 1 . 1 1 113 113 GLU C C 113 178.001 178.001 177.296 0.705 18154 569 1 1 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.492 1.493 18154 570 1 1 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.491 -0.221 18154 571 1 1 . 1 1 113 113 GLU H H 113 8.305 8.305 7.840 0.465 18154 572 1 1 . 1 1 114 114 GLN N N 114 117.332 117.332 117.961 -0.629 18154 573 1 1 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.292 0.303 18154 574 1 1 . 1 1 114 114 GLN C C 114 174.538 174.538 176.741 -2.203 18154 575 1 1 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.481 -1.064 18154 576 1 1 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.615 -4.785 18154 577 1 1 . 1 1 114 114 GLN H H 114 7.520 7.520 7.481 0.039 18154 578 1 1 . 1 1 115 115 SER N N 115 109.100 109.100 109.582 -0.482 18154 579 1 1 . 1 1 115 115 SER HA H 115 4.200 4.200 4.550 -0.350 18154 580 1 1 . 1 1 115 115 SER C C 115 172.302 172.302 173.606 -1.304 18154 581 1 1 . 1 1 115 115 SER CA C 115 60.400 60.400 58.472 1.927 18154 582 1 1 . 1 1 115 115 SER CB C 115 61.325 61.325 66.046 -4.721 18154 583 1 1 . 1 1 115 115 SER H H 115 7.950 7.950 7.845 0.105 18154 584 1 1 . 1 1 116 116 ALA N N 116 121.059 121.059 125.757 -4.698 18154 585 1 1 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.343 0.451 18154 586 1 1 . 1 1 116 116 ALA C C 116 176.774 176.774 175.872 0.902 18154 587 1 1 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.021 -0.331 18154 588 1 1 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.772 0.593 18154 589 1 1 . 1 1 116 116 ALA H H 116 7.813 7.813 7.933 -0.120 18154 590 1 1 . 1 1 117 117 GLN N N 117 118.000 118.000 118.535 -0.535 18154 591 1 1 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.707 -0.089 18154 592 1 1 . 1 1 117 117 GLN C C 117 173.769 173.769 175.058 -1.289 18154 593 1 1 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.360 0.196 18154 594 1 1 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.865 -1.130 18154 595 1 1 . 1 1 117 117 GLN H H 117 8.591 8.591 8.296 0.295 18154 596 1 1 . 1 1 118 118 ARG N N 118 127.947 127.947 125.291 2.656 18154 597 1 1 . 1 1 118 118 ARG HA H 118 3.308 3.308 3.270 0.038 18154 598 1 1 . 1 1 118 118 ARG C C 118 176.758 176.758 176.141 0.617 18154 599 1 1 . 1 1 118 118 ARG CA C 118 56.186 56.186 56.486 -0.300 18154 600 1 1 . 1 1 118 118 ARG CB C 118 30.310 30.310 31.064 -0.754 18154 601 1 1 . 1 1 118 118 ARG H H 118 8.659 8.659 8.782 -0.123 18154 602 1 1 . 1 1 119 119 VAL N N 119 131.939 131.939 125.109 6.830 18154 603 1 1 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.019 0.094 18154 604 1 1 . 1 1 119 119 VAL C C 119 176.775 176.775 175.673 1.102 18154 605 1 1 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.913 0.261 18154 606 1 1 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.097 -0.703 18154 607 1 1 . 1 1 119 119 VAL H H 119 9.520 9.520 8.355 1.165 18154 608 1 1 . 1 1 120 120 GLY N N 120 116.074 116.074 106.932 9.142 18154 609 1 1 . 1 1 120 120 GLY C C 120 172.757 172.757 174.380 -1.623 18154 610 1 1 . 1 1 120 120 GLY CA C 120 43.898 43.898 44.834 -0.936 18154 611 1 1 . 1 1 120 120 GLY H H 120 8.755 8.755 8.154 0.601 18154 612 1 1 . 1 1 121 121 GLU N N 121 118.754 118.754 119.893 -1.139 18154 613 1 1 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.282 0.384 18154 614 1 1 . 1 1 121 121 GLU C C 121 177.419 177.419 177.471 -0.052 18154 615 1 1 . 1 1 121 121 GLU CA C 121 54.491 54.491 57.639 -3.148 18154 616 1 1 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.393 1.105 18154 617 1 1 . 1 1 121 121 GLU H H 121 8.594 8.594 8.423 0.171 18154 618 1 1 . 1 1 122 122 MET N N 122 122.642 122.642 120.309 2.333 18154 619 1 1 . 1 1 122 122 MET HA H 122 4.415 4.415 5.154 -0.739 18154 620 1 1 . 1 1 122 122 MET C C 122 175.351 175.351 175.293 0.058 18154 621 1 1 . 1 1 122 122 MET CA C 122 57.024 57.024 54.376 2.648 18154 622 1 1 . 1 1 122 122 MET CB C 122 34.210 34.210 33.759 0.451 18154 623 1 1 . 1 1 122 122 MET H H 122 8.892 8.892 8.451 0.441 18154 624 1 1 . 1 1 123 123 LEU N N 123 129.535 129.535 122.211 7.324 18154 625 1 1 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.000 0.350 18154 626 1 1 . 1 1 123 123 LEU C C 123 173.124 173.124 174.576 -1.452 18154 627 1 1 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.011 0.728 18154 628 1 1 . 1 1 123 123 LEU CB C 123 41.078 41.078 43.218 -2.140 18154 629 1 1 . 1 1 123 123 LEU H H 123 7.868 7.868 7.956 -0.088 18154 630 1 1 . 1 1 124 124 LEU N N 124 127.120 127.120 125.272 1.848 18154 631 1 1 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.679 0.376 18154 632 1 1 . 1 1 124 124 LEU C C 124 176.379 176.379 176.104 0.275 18154 633 1 1 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.092 0.458 18154 634 1 1 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.497 -1.119 18154 635 1 1 . 1 1 124 124 LEU H H 124 8.346 8.346 8.058 0.288 18154 636 1 1 . 1 1 125 125 ILE N N 125 124.337 124.337 124.982 -0.645 18154 637 1 1 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.326 -0.146 18154 638 1 1 . 1 1 125 125 ILE C C 125 174.303 174.303 175.067 -0.764 18154 639 1 1 . 1 1 125 125 ILE CA C 125 61.100 61.100 61.719 -0.619 18154 640 1 1 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.197 -0.254 18154 641 1 1 . 1 1 125 125 ILE H H 125 8.974 8.974 8.543 0.431 18154 642 1 1 . 1 1 126 126 ASP N N 126 127.113 127.113 128.361 -1.248 18154 643 1 1 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.388 -0.273 18154 644 1 1 . 1 1 126 126 ASP C C 126 176.766 176.766 176.180 0.586 18154 645 1 1 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.098 -0.251 18154 646 1 1 . 1 1 126 126 ASP CB C 126 41.100 41.100 42.367 -1.267 18154 647 1 1 . 1 1 126 126 ASP H H 126 9.397 9.397 8.373 1.024 18154 648 1 1 . 1 1 127 127 ALA N N 127 131.178 131.178 130.839 0.339 18154 649 1 1 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.587 -0.271 18154 650 1 1 . 1 1 127 127 ALA C C 127 178.530 178.530 178.659 -0.129 18154 651 1 1 . 1 1 127 127 ALA CA C 127 53.847 53.847 53.984 -0.137 18154 652 1 1 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.193 -0.401 18154 653 1 1 . 1 1 127 127 ALA H H 127 9.696 9.696 9.147 0.549 18154 654 1 1 . 1 1 128 128 SER N N 128 112.064 112.064 113.188 -1.124 18154 655 1 1 . 1 1 128 128 SER HA H 128 4.224 4.224 4.317 -0.093 18154 656 1 1 . 1 1 128 128 SER C C 128 175.000 175.000 175.384 -0.384 18154 657 1 1 . 1 1 128 128 SER CA C 128 61.246 61.246 60.462 0.784 18154 658 1 1 . 1 1 128 128 SER CB C 128 63.310 63.310 63.555 -0.245 18154 659 1 1 . 1 1 128 128 SER H H 128 8.373 8.373 8.134 0.239 18154 660 1 1 . 1 1 129 129 GLU N N 129 119.468 119.468 119.776 -0.308 18154 661 1 1 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.419 -0.019 18154 662 1 1 . 1 1 129 129 GLU C C 129 175.947 175.947 175.993 -0.046 18154 663 1 1 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.987 -0.572 18154 664 1 1 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.560 0.170 18154 665 1 1 . 1 1 129 129 GLU H H 129 7.267 7.267 7.535 -0.268 18154 666 1 1 . 1 1 130 130 ASN N N 130 115.968 115.968 117.865 -1.897 18154 667 1 1 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.099 0.067 18154 668 1 1 . 1 1 130 130 ASN C C 130 172.000 172.000 173.944 -1.944 18154 669 1 1 . 1 1 130 130 ASN CA C 130 50.223 50.223 51.030 -0.807 18154 670 1 1 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.877 -0.211 18154 671 1 1 . 1 1 130 130 ASN H H 130 8.072 8.072 8.109 -0.037 18154 672 1 1 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.572 -0.022 18154 673 1 1 . 1 1 131 131 PRO C C 131 176.400 176.400 176.551 -0.151 18154 674 1 1 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.750 -0.250 18154 675 1 1 . 1 1 131 131 PRO CB C 131 32.300 32.300 32.026 0.274 18154 676 1 1 . 1 1 132 132 GLU N N 132 119.000 119.000 119.865 -0.865 18154 677 1 1 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.768 0.252 18154 678 1 1 . 1 1 132 132 GLU C C 132 174.200 174.200 175.280 -1.080 18154 679 1 1 . 1 1 132 132 GLU CA C 132 53.000 53.000 52.401 0.599 18154 680 1 1 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.935 -0.235 18154 681 1 1 . 1 1 132 132 GLU H H 132 7.690 7.690 8.050 -0.360 18154 682 1 1 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.296 -0.296 18154 683 1 1 . 1 1 133 133 PRO C C 133 177.391 177.391 177.868 -0.477 18154 684 1 1 . 1 1 133 133 PRO CA C 133 65.469 65.469 64.772 0.697 18154 685 1 1 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.958 0.187 18154 686 1 1 . 1 1 134 134 GLU N N 134 122.846 122.846 118.100 4.746 18154 687 1 1 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.182 1.038 18154 688 1 1 . 1 1 134 134 GLU C C 134 178.385 178.385 178.881 -0.496 18154 689 1 1 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.152 -1.560 18154 690 1 1 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.711 -2.121 18154 691 1 1 . 1 1 134 134 GLU H H 134 10.707 10.707 8.839 1.868 18154 692 1 1 . 1 1 135 135 THR N N 135 113.016 113.016 111.359 1.657 18154 693 1 1 . 1 1 135 135 THR HA H 135 4.182 4.182 4.140 0.042 18154 694 1 1 . 1 1 135 135 THR C C 135 176.460 176.460 176.041 0.419 18154 695 1 1 . 1 1 135 135 THR CA C 135 64.752 64.752 65.142 -0.390 18154 696 1 1 . 1 1 135 135 THR CB C 135 69.248 69.248 68.790 0.458 18154 697 1 1 . 1 1 135 135 THR H H 135 8.168 8.168 8.206 -0.038 18154 698 1 1 . 1 1 136 136 GLU N N 136 118.978 118.978 121.550 -2.572 18154 699 1 1 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.358 0.206 18154 700 1 1 . 1 1 136 136 GLU C C 136 178.370 178.370 178.655 -0.285 18154 701 1 1 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.392 -1.479 18154 702 1 1 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.503 1.597 18154 703 1 1 . 1 1 136 136 GLU H H 136 7.680 7.680 7.696 -0.016 18154 704 1 1 . 1 1 137 137 SER N N 137 116.501 116.501 115.745 0.756 18154 705 1 1 . 1 1 137 137 SER HA H 137 4.033 4.033 4.221 -0.188 18154 706 1 1 . 1 1 137 137 SER C C 137 175.670 175.670 176.554 -0.884 18154 707 1 1 . 1 1 137 137 SER CA C 137 62.330 62.330 61.950 0.380 18154 708 1 1 . 1 1 137 137 SER CB C 137 61.380 61.380 63.149 -1.769 18154 709 1 1 . 1 1 137 137 SER H H 137 8.824 8.824 8.349 0.475 18154 710 1 1 . 1 1 138 138 ASN N N 138 123.517 123.517 121.152 2.365 18154 711 1 1 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.715 -0.124 18154 712 1 1 . 1 1 138 138 ASN C C 138 175.700 175.700 175.355 0.345 18154 713 1 1 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.677 -0.191 18154 714 1 1 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.086 -2.833 18154 715 1 1 . 1 1 138 138 ASN H H 138 8.564 8.564 8.301 0.263 18154 716 1 1 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.401 0.054 18154 717 1 1 . 1 1 139 139 PRO C C 139 180.033 180.033 178.470 1.563 18154 718 1 1 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.548 0.062 18154 719 1 1 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.338 -0.802 18154 720 1 1 . 1 1 140 140 TRP N N 140 119.700 119.700 120.406 -0.706 18154 721 1 1 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.555 -0.222 18154 722 1 1 . 1 1 140 140 TRP C C 140 179.195 179.195 178.093 1.102 18154 723 1 1 . 1 1 140 140 TRP CA C 140 62.180 62.180 60.422 1.758 18154 724 1 1 . 1 1 140 140 TRP CB C 140 30.751 30.751 30.042 0.709 18154 725 1 1 . 1 1 140 140 TRP H H 140 7.057 7.057 7.360 -0.303 18154 726 1 1 . 1 1 141 141 VAL N N 141 122.879 122.879 119.299 3.580 18154 727 1 1 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.668 0.068 18154 728 1 1 . 1 1 141 141 VAL C C 141 177.416 177.416 178.131 -0.715 18154 729 1 1 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.395 -0.679 18154 730 1 1 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.711 -0.279 18154 731 1 1 . 1 1 141 141 VAL H H 141 9.629 9.629 8.705 0.924 18154 732 1 1 . 1 1 142 142 GLU N N 142 119.965 119.965 120.131 -0.166 18154 733 1 1 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.925 -0.193 18154 734 1 1 . 1 1 142 142 GLU C C 142 178.800 178.800 178.829 -0.029 18154 735 1 1 . 1 1 142 142 GLU CA C 142 59.332 59.332 60.002 -0.670 18154 736 1 1 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.735 -0.175 18154 737 1 1 . 1 1 142 142 GLU H H 142 8.551 8.551 8.186 0.365 18154 738 1 1 . 1 1 143 143 GLN N N 143 115.364 115.364 119.255 -3.891 18154 739 1 1 . 1 1 143 143 GLN HA H 143 4.290 4.290 3.964 0.326 18154 740 1 1 . 1 1 143 143 GLN C C 143 177.840 177.840 178.222 -0.382 18154 741 1 1 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.730 0.633 18154 742 1 1 . 1 1 143 143 GLN CB C 143 29.362 29.362 28.642 0.720 18154 743 1 1 . 1 1 143 143 GLN H H 143 7.380 7.380 7.975 -0.595 18154 744 1 1 . 1 1 144 144 TRP N N 144 126.680 126.680 122.461 4.219 18154 745 1 1 . 1 1 144 144 TRP HA H 144 3.334 3.334 4.119 -0.785 18154 746 1 1 . 1 1 144 144 TRP C C 144 178.200 178.200 178.623 -0.423 18154 747 1 1 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.929 2.031 18154 748 1 1 . 1 1 144 144 TRP CB C 144 28.525 28.525 29.032 -0.507 18154 749 1 1 . 1 1 144 144 TRP H H 144 9.215 9.215 8.790 0.425 18154 750 1 1 . 1 1 145 145 GLY N N 145 100.130 100.130 105.626 -5.496 18154 751 1 1 . 1 1 145 145 GLY C C 145 177.391 177.391 175.330 2.061 18154 752 1 1 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.323 -0.563 18154 753 1 1 . 1 1 145 145 GLY H H 145 8.834 8.834 8.685 0.149 18154 754 1 1 . 1 1 146 146 THR N N 146 110.831 110.831 114.163 -3.332 18154 755 1 1 . 1 1 146 146 THR HA H 146 4.319 4.319 4.146 0.173 18154 756 1 1 . 1 1 146 146 THR C C 146 175.574 175.574 175.618 -0.044 18154 757 1 1 . 1 1 146 146 THR CA C 146 63.260 63.260 64.303 -1.043 18154 758 1 1 . 1 1 146 146 THR CB C 146 69.660 69.660 68.428 1.232 18154 759 1 1 . 1 1 146 146 THR H H 146 7.594 7.594 7.711 -0.117 18154 760 1 1 . 1 1 147 147 LEU N N 147 120.678 120.678 120.467 0.211 18154 761 1 1 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.116 -0.058 18154 762 1 1 . 1 1 147 147 LEU C C 147 177.176 177.176 176.763 0.413 18154 763 1 1 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.314 -1.000 18154 764 1 1 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.198 0.030 18154 765 1 1 . 1 1 147 147 LEU H H 147 7.458 7.458 7.522 -0.064 18154 766 1 1 . 1 1 148 148 LEU N N 148 117.062 117.062 118.257 -1.195 18154 767 1 1 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.708 0.010 18154 768 1 1 . 1 1 148 148 LEU C C 148 175.570 175.570 176.428 -0.858 18154 769 1 1 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.566 -0.615 18154 770 1 1 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.392 -1.792 18154 771 1 1 . 1 1 148 148 LEU H H 148 6.482 6.482 6.813 -0.331 18154 772 1 2 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.817 -0.588 18154 773 1 2 . 1 1 2 2 ALA C C 2 173.315 173.315 176.305 -2.990 18154 774 1 2 . 1 1 2 2 ALA CA C 2 51.580 51.580 50.700 0.880 18154 775 1 2 . 1 1 2 2 ALA CB C 2 20.223 20.223 20.865 -0.642 18154 776 1 2 . 1 1 3 3 GLU N N 3 121.874 121.874 120.784 1.090 18154 777 1 2 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.553 -0.279 18154 778 1 2 . 1 1 3 3 GLU C C 3 174.545 174.545 175.544 -0.999 18154 779 1 2 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.233 0.617 18154 780 1 2 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.131 -0.411 18154 781 1 2 . 1 1 3 3 GLU H H 3 8.696 8.696 8.798 -0.102 18154 782 1 2 . 1 1 4 4 ILE N N 4 120.672 120.672 125.406 -4.734 18154 783 1 2 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.700 0.409 18154 784 1 2 . 1 1 4 4 ILE C C 4 175.463 175.463 174.759 0.704 18154 785 1 2 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.058 -0.225 18154 786 1 2 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.734 2.936 18154 787 1 2 . 1 1 4 4 ILE H H 4 8.860 8.860 9.239 -0.379 18154 788 1 2 . 1 1 5 5 GLY N N 5 119.310 119.310 114.320 4.990 18154 789 1 2 . 1 1 5 5 GLY C C 5 171.260 171.260 172.873 -1.613 18154 790 1 2 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.326 0.494 18154 791 1 2 . 1 1 5 5 GLY H H 5 8.469 8.469 7.916 0.553 18154 792 1 2 . 1 1 6 6 ILE N N 6 126.915 126.915 125.722 1.193 18154 793 1 2 . 1 1 6 6 ILE HA H 6 5.190 5.190 4.933 0.257 18154 794 1 2 . 1 1 6 6 ILE C C 6 173.901 173.901 174.468 -0.567 18154 795 1 2 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.698 -0.698 18154 796 1 2 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.777 -1.777 18154 797 1 2 . 1 1 6 6 ILE H H 6 9.056 9.056 9.170 -0.114 18154 798 1 2 . 1 1 7 7 PHE N N 7 127.354 127.354 127.661 -0.307 18154 799 1 2 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.007 -0.495 18154 800 1 2 . 1 1 7 7 PHE C C 7 174.230 174.230 174.830 -0.600 18154 801 1 2 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.680 1.730 18154 802 1 2 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.109 1.619 18154 803 1 2 . 1 1 7 7 PHE H H 7 8.960 8.960 9.446 -0.486 18154 804 1 2 . 1 1 8 8 VAL HA H 8 5.060 5.060 4.954 0.106 18154 805 1 2 . 1 1 8 8 VAL C C 8 175.450 175.450 176.132 -0.682 18154 806 1 2 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.381 0.819 18154 807 1 2 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.055 0.382 18154 808 1 2 . 1 1 9 9 GLY N N 9 115.000 115.000 118.573 -3.573 18154 809 1 2 . 1 1 9 9 GLY C C 9 173.150 173.150 172.679 0.471 18154 810 1 2 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.827 0.173 18154 811 1 2 . 1 1 9 9 GLY H H 9 9.393 9.393 8.955 0.438 18154 812 1 2 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.100 0.595 18154 813 1 2 . 1 1 12 12 TYR C C 12 176.560 176.560 174.934 1.626 18154 814 1 2 . 1 1 12 12 TYR CA C 12 57.750 57.750 59.512 -1.762 18154 815 1 2 . 1 1 12 12 TYR CB C 12 38.000 38.000 37.751 0.249 18154 816 1 2 . 1 1 13 13 GLY N N 13 109.870 109.870 108.510 1.360 18154 817 1 2 . 1 1 13 13 GLY C C 13 175.930 175.930 173.884 2.046 18154 818 1 2 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.540 1.460 18154 819 1 2 . 1 1 13 13 GLY H H 13 8.500 8.500 7.464 1.036 18154 820 1 2 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.122 0.108 18154 821 1 2 . 1 1 17 17 LEU C C 17 179.210 179.210 178.443 0.767 18154 822 1 2 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.871 0.529 18154 823 1 2 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.327 -0.027 18154 824 1 2 . 1 1 18 18 VAL N N 18 117.231 117.231 117.810 -0.579 18154 825 1 2 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.586 -0.263 18154 826 1 2 . 1 1 18 18 VAL C C 18 178.460 178.460 177.595 0.865 18154 827 1 2 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.341 0.525 18154 828 1 2 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.979 0.481 18154 829 1 2 . 1 1 18 18 VAL H H 18 7.645 7.645 8.047 -0.402 18154 830 1 2 . 1 1 19 19 ALA N N 19 121.820 121.820 121.865 -0.045 18154 831 1 2 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.954 -0.138 18154 832 1 2 . 1 1 19 19 ALA C C 19 178.180 178.180 179.509 -1.329 18154 833 1 2 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.589 -0.013 18154 834 1 2 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.034 1.966 18154 835 1 2 . 1 1 19 19 ALA H H 19 8.010 8.010 8.258 -0.248 18154 836 1 2 . 1 1 20 20 GLU N N 20 118.960 118.960 118.432 0.528 18154 837 1 2 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.003 0.013 18154 838 1 2 . 1 1 20 20 GLU C C 20 180.950 180.950 179.360 1.590 18154 839 1 2 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.100 0.566 18154 840 1 2 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.348 -0.048 18154 841 1 2 . 1 1 20 20 GLU H H 20 8.700 8.700 8.006 0.694 18154 842 1 2 . 1 1 21 21 GLU N N 21 121.371 121.371 119.542 1.829 18154 843 1 2 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.066 -0.022 18154 844 1 2 . 1 1 21 21 GLU C C 21 179.419 179.419 178.814 0.605 18154 845 1 2 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.263 0.047 18154 846 1 2 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.276 0.285 18154 847 1 2 . 1 1 21 21 GLU H H 21 8.632 8.632 7.818 0.814 18154 848 1 2 . 1 1 22 22 ALA N N 22 121.329 121.329 122.770 -1.441 18154 849 1 2 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.066 -0.008 18154 850 1 2 . 1 1 22 22 ALA C C 22 178.823 178.823 179.391 -0.568 18154 851 1 2 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.655 -0.978 18154 852 1 2 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.103 -0.460 18154 853 1 2 . 1 1 22 22 ALA H H 22 8.182 8.182 8.565 -0.383 18154 854 1 2 . 1 1 23 23 GLU N N 23 119.035 119.035 119.602 -0.567 18154 855 1 2 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.033 -0.629 18154 856 1 2 . 1 1 23 23 GLU C C 23 178.375 178.375 178.658 -0.283 18154 857 1 2 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.745 0.563 18154 858 1 2 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.514 -0.584 18154 859 1 2 . 1 1 23 23 GLU H H 23 8.387 8.387 8.414 -0.027 18154 860 1 2 . 1 1 24 24 ALA N N 24 122.207 122.207 122.281 -0.074 18154 861 1 2 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.103 -0.073 18154 862 1 2 . 1 1 24 24 ALA C C 24 181.132 181.132 179.928 1.204 18154 863 1 2 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.072 0.415 18154 864 1 2 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.597 -0.597 18154 865 1 2 . 1 1 24 24 ALA H H 24 7.535 7.535 7.995 -0.460 18154 866 1 2 . 1 1 25 25 ILE N N 25 121.059 121.059 120.087 0.972 18154 867 1 2 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.734 -0.070 18154 868 1 2 . 1 1 25 25 ILE C C 25 178.419 178.419 177.883 0.536 18154 869 1 2 . 1 1 25 25 ILE CA C 25 65.108 65.108 65.929 -0.821 18154 870 1 2 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.170 0.793 18154 871 1 2 . 1 1 25 25 ILE H H 25 7.800 7.800 8.516 -0.716 18154 872 1 2 . 1 1 26 26 LEU N N 26 119.307 119.307 120.801 -1.494 18154 873 1 2 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.128 0.048 18154 874 1 2 . 1 1 26 26 LEU C C 26 179.863 179.863 179.613 0.250 18154 875 1 2 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.383 -0.437 18154 876 1 2 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.225 -0.085 18154 877 1 2 . 1 1 26 26 LEU H H 26 8.509 8.509 8.551 -0.042 18154 878 1 2 . 1 1 27 27 THR N N 27 117.830 117.830 116.079 1.751 18154 879 1 2 . 1 1 27 27 THR HA H 27 4.524 4.524 4.345 0.179 18154 880 1 2 . 1 1 27 27 THR C C 27 179.027 179.027 176.238 2.789 18154 881 1 2 . 1 1 27 27 THR CA C 27 66.000 66.000 66.564 -0.564 18154 882 1 2 . 1 1 27 27 THR CB C 27 68.600 68.600 68.487 0.112 18154 883 1 2 . 1 1 27 27 THR H H 27 8.796 8.796 8.567 0.229 18154 884 1 2 . 1 1 28 28 ALA N N 28 126.313 126.313 122.269 4.044 18154 885 1 2 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.148 0.057 18154 886 1 2 . 1 1 28 28 ALA C C 28 179.360 179.360 179.572 -0.212 18154 887 1 2 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.276 0.724 18154 888 1 2 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.233 -0.583 18154 889 1 2 . 1 1 28 28 ALA H H 28 7.832 7.832 7.789 0.043 18154 890 1 2 . 1 1 29 29 GLN N N 29 115.527 115.527 116.485 -0.958 18154 891 1 2 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.136 -0.009 18154 892 1 2 . 1 1 29 29 GLN C C 29 176.547 176.547 177.046 -0.499 18154 893 1 2 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.920 -0.357 18154 894 1 2 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.593 -0.183 18154 895 1 2 . 1 1 29 29 GLN H H 29 7.353 7.353 8.307 -0.954 18154 896 1 2 . 1 1 30 30 GLY N N 30 105.961 105.961 104.028 1.933 18154 897 1 2 . 1 1 30 30 GLY C C 30 174.785 174.785 173.932 0.853 18154 898 1 2 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.656 -0.156 18154 899 1 2 . 1 1 30 30 GLY H H 30 7.923 7.923 7.672 0.251 18154 900 1 2 . 1 1 31 31 HIS N N 31 119.471 119.471 119.229 0.242 18154 901 1 2 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.675 0.160 18154 902 1 2 . 1 1 31 31 HIS C C 31 174.665 174.665 174.044 0.621 18154 903 1 2 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.967 0.875 18154 904 1 2 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.836 0.164 18154 905 1 2 . 1 1 31 31 HIS H H 31 7.558 7.558 8.123 -0.565 18154 906 1 2 . 1 1 32 32 LYS N N 32 121.854 121.854 121.051 0.803 18154 907 1 2 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.566 0.157 18154 908 1 2 . 1 1 32 32 LYS C C 32 174.466 174.466 174.367 0.099 18154 909 1 2 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.608 0.257 18154 910 1 2 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.633 0.327 18154 911 1 2 . 1 1 32 32 LYS H H 32 8.665 8.665 8.806 -0.141 18154 912 1 2 . 1 1 33 33 ALA N N 33 130.188 130.188 129.904 0.284 18154 913 1 2 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.676 0.142 18154 914 1 2 . 1 1 33 33 ALA C C 33 175.567 175.567 176.354 -0.787 18154 915 1 2 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.606 -0.630 18154 916 1 2 . 1 1 33 33 ALA CB C 33 22.297 22.297 22.008 0.289 18154 917 1 2 . 1 1 33 33 ALA H H 33 8.837 8.837 7.979 0.858 18154 918 1 2 . 1 1 34 34 THR N N 34 117.164 117.164 116.127 1.037 18154 919 1 2 . 1 1 34 34 THR HA H 34 4.359 4.359 4.601 -0.242 18154 920 1 2 . 1 1 34 34 THR C C 34 171.315 171.315 172.756 -1.441 18154 921 1 2 . 1 1 34 34 THR CA C 34 61.840 61.840 61.038 0.803 18154 922 1 2 . 1 1 34 34 THR CB C 34 71.800 71.800 72.512 -0.712 18154 923 1 2 . 1 1 34 34 THR H H 34 7.826 7.826 8.820 -0.994 18154 924 1 2 . 1 1 35 35 VAL N N 35 126.650 126.650 122.708 3.942 18154 925 1 2 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.404 -0.221 18154 926 1 2 . 1 1 35 35 VAL C C 35 174.675 174.675 175.346 -0.671 18154 927 1 2 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.940 -0.012 18154 928 1 2 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.642 0.008 18154 929 1 2 . 1 1 35 35 VAL H H 35 8.496 8.496 8.425 0.071 18154 930 1 2 . 1 1 36 36 PHE N N 36 127.630 127.630 127.008 0.622 18154 931 1 2 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.698 -0.147 18154 932 1 2 . 1 1 36 36 PHE C C 36 174.347 174.347 174.531 -0.184 18154 933 1 2 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.557 0.925 18154 934 1 2 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.690 -0.525 18154 935 1 2 . 1 1 36 36 PHE H H 36 9.164 9.164 9.208 -0.044 18154 936 1 2 . 1 1 37 37 GLU N N 37 123.516 123.516 124.554 -1.038 18154 937 1 2 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.434 0.036 18154 938 1 2 . 1 1 37 37 GLU C C 37 175.954 175.954 176.289 -0.335 18154 939 1 2 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.379 -0.660 18154 940 1 2 . 1 1 37 37 GLU CB C 37 31.460 31.460 31.064 0.396 18154 941 1 2 . 1 1 37 37 GLU H H 37 8.455 8.455 8.570 -0.115 18154 942 1 2 . 1 1 38 38 ASP N N 38 120.395 120.395 121.341 -0.946 18154 943 1 2 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.450 0.383 18154 944 1 2 . 1 1 38 38 ASP C C 38 173.920 173.920 174.438 -0.518 18154 945 1 2 . 1 1 38 38 ASP CA C 38 54.477 54.477 53.868 0.609 18154 946 1 2 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.481 0.123 18154 947 1 2 . 1 1 38 38 ASP H H 38 9.602 9.602 8.591 1.011 18154 948 1 2 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.469 0.211 18154 949 1 2 . 1 1 39 39 PRO C C 39 176.274 176.274 176.599 -0.325 18154 950 1 2 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.270 -0.286 18154 951 1 2 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.917 1.483 18154 952 1 2 . 1 1 40 40 GLU N N 40 119.026 119.026 121.135 -2.109 18154 953 1 2 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.423 0.305 18154 954 1 2 . 1 1 40 40 GLU C C 40 177.827 177.827 178.300 -0.473 18154 955 1 2 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.491 -1.521 18154 956 1 2 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.103 2.297 18154 957 1 2 . 1 1 40 40 GLU H H 40 9.178 9.178 8.371 0.807 18154 958 1 2 . 1 1 41 41 LEU N N 41 123.708 123.708 123.441 0.267 18154 959 1 2 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.362 -0.468 18154 960 1 2 . 1 1 41 41 LEU C C 41 178.730 178.730 177.784 0.946 18154 961 1 2 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.120 1.287 18154 962 1 2 . 1 1 41 41 LEU CB C 41 41.653 41.653 42.005 -0.352 18154 963 1 2 . 1 1 41 41 LEU H H 41 9.160 9.160 8.547 0.613 18154 964 1 2 . 1 1 42 42 SER N N 42 110.500 110.500 114.929 -4.429 18154 965 1 2 . 1 1 42 42 SER HA H 42 4.010 4.010 4.327 -0.317 18154 966 1 2 . 1 1 42 42 SER C C 42 176.300 176.300 175.234 1.066 18154 967 1 2 . 1 1 42 42 SER CA C 42 61.600 61.600 60.731 0.869 18154 968 1 2 . 1 1 42 42 SER CB C 42 62.140 62.140 62.741 -0.601 18154 969 1 2 . 1 1 42 42 SER H H 42 8.415 8.415 8.102 0.313 18154 970 1 2 . 1 1 43 43 ASP N N 43 119.770 119.770 121.404 -1.634 18154 971 1 2 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.629 -0.172 18154 972 1 2 . 1 1 43 43 ASP C C 43 176.150 176.150 176.287 -0.137 18154 973 1 2 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.594 1.156 18154 974 1 2 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.610 2.090 18154 975 1 2 . 1 1 43 43 ASP H H 43 7.690 7.690 7.697 -0.007 18154 976 1 2 . 1 1 44 44 TRP N N 44 118.500 118.500 121.379 -2.879 18154 977 1 2 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.460 -0.250 18154 978 1 2 . 1 1 44 44 TRP C C 44 177.150 177.150 177.561 -0.411 18154 979 1 2 . 1 1 44 44 TRP CA C 44 59.387 59.387 59.298 0.089 18154 980 1 2 . 1 1 44 44 TRP CB C 44 30.310 30.310 29.897 0.413 18154 981 1 2 . 1 1 44 44 TRP H H 44 7.464 7.464 7.381 0.083 18154 982 1 2 . 1 1 45 45 LEU N N 45 114.100 114.100 121.228 -7.128 18154 983 1 2 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.028 0.147 18154 984 1 2 . 1 1 45 45 LEU C C 45 176.300 176.300 175.919 0.381 18154 985 1 2 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.467 -0.907 18154 986 1 2 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.405 -0.185 18154 987 1 2 . 1 1 45 45 LEU H H 45 7.550 7.550 8.618 -1.068 18154 988 1 2 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.214 0.166 18154 989 1 2 . 1 1 46 46 PRO C C 46 176.799 176.799 177.377 -0.578 18154 990 1 2 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.396 0.891 18154 991 1 2 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.084 0.516 18154 992 1 2 . 1 1 47 47 TYR N N 47 113.790 113.790 117.569 -3.779 18154 993 1 2 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.571 -0.451 18154 994 1 2 . 1 1 47 47 TYR C C 47 175.730 175.730 178.122 -2.392 18154 995 1 2 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.426 1.774 18154 996 1 2 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.600 0.416 18154 997 1 2 . 1 1 47 47 TYR H H 47 8.291 8.291 8.121 0.170 18154 998 1 2 . 1 1 48 48 GLN N N 48 116.524 116.524 120.114 -3.590 18154 999 1 2 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.945 -0.060 18154 1000 1 2 . 1 1 48 48 GLN C C 48 174.381 174.381 176.086 -1.705 18154 1001 1 2 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.395 0.431 18154 1002 1 2 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.657 2.343 18154 1003 1 2 . 1 1 48 48 GLN H H 48 7.300 7.300 7.508 -0.208 18154 1004 1 2 . 1 1 49 49 ASP N N 49 114.657 114.657 113.891 0.766 18154 1005 1 2 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.612 0.075 18154 1006 1 2 . 1 1 49 49 ASP C C 49 176.307 176.307 175.667 0.640 18154 1007 1 2 . 1 1 49 49 ASP CA C 49 51.735 51.735 54.082 -2.347 18154 1008 1 2 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.228 -1.028 18154 1009 1 2 . 1 1 49 49 ASP H H 49 7.854 7.854 8.379 -0.525 18154 1010 1 2 . 1 1 50 50 LYS N N 50 123.514 123.514 118.655 4.859 18154 1011 1 2 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.624 -0.034 18154 1012 1 2 . 1 1 50 50 LYS C C 50 172.964 172.964 175.277 -2.313 18154 1013 1 2 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.523 -0.830 18154 1014 1 2 . 1 1 50 50 LYS CB C 50 33.355 33.355 35.505 -2.150 18154 1015 1 2 . 1 1 50 50 LYS H H 50 7.833 7.833 7.314 0.519 18154 1016 1 2 . 1 1 51 51 TYR N N 51 118.375 118.375 115.587 2.788 18154 1017 1 2 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.675 0.380 18154 1018 1 2 . 1 1 51 51 TYR C C 51 175.875 175.875 175.760 0.115 18154 1019 1 2 . 1 1 51 51 TYR CA C 51 56.421 56.421 56.551 -0.130 18154 1020 1 2 . 1 1 51 51 TYR CB C 51 42.477 42.477 42.255 0.223 18154 1021 1 2 . 1 1 51 51 TYR H H 51 7.745 7.745 8.379 -0.634 18154 1022 1 2 . 1 1 52 52 VAL N N 52 112.527 112.527 115.251 -2.724 18154 1023 1 2 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.980 0.520 18154 1024 1 2 . 1 1 52 52 VAL C C 52 173.910 173.910 174.055 -0.145 18154 1025 1 2 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.624 -1.928 18154 1026 1 2 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.392 1.100 18154 1027 1 2 . 1 1 52 52 VAL H H 52 8.673 8.673 8.526 0.147 18154 1028 1 2 . 1 1 53 53 LEU N N 53 124.294 124.294 124.007 0.287 18154 1029 1 2 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.150 -0.250 18154 1030 1 2 . 1 1 53 53 LEU C C 53 175.070 175.070 174.532 0.538 18154 1031 1 2 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.486 -0.920 18154 1032 1 2 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.437 -1.207 18154 1033 1 2 . 1 1 53 53 LEU H H 53 9.137 9.137 9.147 -0.010 18154 1034 1 2 . 1 1 54 54 VAL N N 54 127.850 127.850 125.778 2.072 18154 1035 1 2 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.829 -0.319 18154 1036 1 2 . 1 1 54 54 VAL C C 54 174.030 174.030 174.441 -0.411 18154 1037 1 2 . 1 1 54 54 VAL CA C 54 61.825 61.825 60.985 0.840 18154 1038 1 2 . 1 1 54 54 VAL CB C 54 32.691 32.691 34.024 -1.333 18154 1039 1 2 . 1 1 54 54 VAL H H 54 8.619 8.619 8.617 0.002 18154 1040 1 2 . 1 1 55 55 VAL N N 55 127.181 127.181 127.476 -0.295 18154 1041 1 2 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.962 0.123 18154 1042 1 2 . 1 1 55 55 VAL C C 55 174.942 174.942 174.492 0.450 18154 1043 1 2 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.561 -0.492 18154 1044 1 2 . 1 1 55 55 VAL CB C 55 33.222 33.222 34.059 -0.838 18154 1045 1 2 . 1 1 55 55 VAL H H 55 8.578 8.578 8.755 -0.177 18154 1046 1 2 . 1 1 56 56 THR N N 56 117.420 117.420 122.245 -4.825 18154 1047 1 2 . 1 1 56 56 THR HA H 56 5.590 5.590 4.980 0.610 18154 1048 1 2 . 1 1 56 56 THR C C 56 172.640 172.640 172.524 0.116 18154 1049 1 2 . 1 1 56 56 THR CA C 56 59.359 59.359 61.000 -1.641 18154 1050 1 2 . 1 1 56 56 THR CB C 56 70.715 70.715 70.837 -0.122 18154 1051 1 2 . 1 1 56 56 THR H H 56 8.710 8.710 8.788 -0.078 18154 1052 1 2 . 1 1 57 57 SER HA H 57 5.250 5.250 5.116 0.134 18154 1053 1 2 . 1 1 57 57 SER CA C 57 57.730 57.730 57.223 0.507 18154 1054 1 2 . 1 1 57 57 SER CB C 57 64.500 64.500 65.485 -0.985 18154 1055 1 2 . 1 1 57 57 SER H H 57 8.075 8.075 8.393 -0.318 18154 1056 1 2 . 1 1 58 58 THR H H 58 7.900 7.900 8.757 -0.857 18154 1057 1 2 . 1 1 59 59 THR HA H 59 4.900 4.900 4.186 0.714 18154 1058 1 2 . 1 1 59 59 THR CA C 59 61.200 61.200 65.173 -3.973 18154 1059 1 2 . 1 1 59 59 THR CB C 59 73.400 73.400 69.471 3.929 18154 1060 1 2 . 1 1 59 59 THR H H 59 9.230 9.230 7.875 1.355 18154 1061 1 2 . 1 1 60 60 GLY CA C 60 46.500 46.500 44.186 2.314 18154 1062 1 2 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.109 0.296 18154 1063 1 2 . 1 1 61 61 GLN C C 61 175.950 175.950 176.196 -0.246 18154 1064 1 2 . 1 1 61 61 GLN CA C 61 55.350 55.350 56.215 -0.865 18154 1065 1 2 . 1 1 61 61 GLN CB C 61 29.160 29.160 26.666 2.494 18154 1066 1 2 . 1 1 62 62 GLY N N 62 108.420 108.420 108.406 0.014 18154 1067 1 2 . 1 1 62 62 GLY C C 62 173.134 173.134 173.629 -0.495 18154 1068 1 2 . 1 1 62 62 GLY CA C 62 45.784 45.784 45.020 0.764 18154 1069 1 2 . 1 1 62 62 GLY H H 62 8.073 8.073 8.408 -0.335 18154 1070 1 2 . 1 1 63 63 ASP N N 63 118.400 118.400 119.148 -0.748 18154 1071 1 2 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.657 0.123 18154 1072 1 2 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.760 0.536 18154 1073 1 2 . 1 1 63 63 ASP CB C 63 42.740 42.740 42.184 0.555 18154 1074 1 2 . 1 1 63 63 ASP H H 63 7.248 7.248 7.831 -0.583 18154 1075 1 2 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.390 0.010 18154 1076 1 2 . 1 1 64 64 LEU CA C 64 53.150 53.150 52.790 0.360 18154 1077 1 2 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.062 -0.375 18154 1078 1 2 . 1 1 64 64 LEU H H 64 8.445 8.445 7.988 0.457 18154 1079 1 2 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.395 -0.102 18154 1080 1 2 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.508 -0.164 18154 1081 1 2 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.726 -0.246 18154 1082 1 2 . 1 1 66 66 ASP N N 66 121.200 121.200 121.117 0.083 18154 1083 1 2 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.331 -0.071 18154 1084 1 2 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.322 1.308 18154 1085 1 2 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.908 -0.108 18154 1086 1 2 . 1 1 66 66 ASP H H 66 8.605 8.605 8.258 0.347 18154 1087 1 2 . 1 1 67 67 SER HA H 67 4.292 4.292 4.296 -0.004 18154 1088 1 2 . 1 1 67 67 SER C C 67 175.650 175.650 175.264 0.386 18154 1089 1 2 . 1 1 67 67 SER CA C 67 60.500 60.500 60.362 0.138 18154 1090 1 2 . 1 1 67 67 SER CB C 67 63.530 63.530 63.629 -0.099 18154 1091 1 2 . 1 1 68 68 ILE N N 68 120.550 120.550 120.281 0.269 18154 1092 1 2 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.470 0.640 18154 1093 1 2 . 1 1 68 68 ILE C C 68 174.713 174.713 176.491 -1.778 18154 1094 1 2 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.573 -0.173 18154 1095 1 2 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.621 3.619 18154 1096 1 2 . 1 1 68 68 ILE H H 68 7.870 7.870 7.627 0.243 18154 1097 1 2 . 1 1 69 69 VAL N N 69 125.740 125.740 123.531 2.209 18154 1098 1 2 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.780 -0.035 18154 1099 1 2 . 1 1 69 69 VAL C C 69 174.500 174.500 174.992 -0.492 18154 1100 1 2 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.114 -0.563 18154 1101 1 2 . 1 1 69 69 VAL CB C 69 30.130 30.130 28.721 1.409 18154 1102 1 2 . 1 1 69 69 VAL H H 69 7.428 7.428 8.064 -0.636 18154 1103 1 2 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.347 -0.055 18154 1104 1 2 . 1 1 70 70 PRO C C 70 180.820 180.820 178.925 1.895 18154 1105 1 2 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.121 0.349 18154 1106 1 2 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.211 -0.554 18154 1107 1 2 . 1 1 71 71 LEU N N 71 119.467 119.467 120.009 -0.542 18154 1108 1 2 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.071 -0.226 18154 1109 1 2 . 1 1 71 71 LEU C C 71 176.489 176.489 178.093 -1.604 18154 1110 1 2 . 1 1 71 71 LEU CA C 71 58.207 58.207 58.000 0.207 18154 1111 1 2 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.830 -0.344 18154 1112 1 2 . 1 1 71 71 LEU H H 71 7.918 7.918 7.678 0.240 18154 1113 1 2 . 1 1 72 72 PHE N N 72 119.361 119.361 119.640 -0.279 18154 1114 1 2 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.322 -0.177 18154 1115 1 2 . 1 1 72 72 PHE C C 72 175.968 175.968 177.091 -1.123 18154 1116 1 2 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.717 0.104 18154 1117 1 2 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.642 0.905 18154 1118 1 2 . 1 1 72 72 PHE H H 72 7.903 7.903 8.803 -0.900 18154 1119 1 2 . 1 1 73 73 GLN N N 73 116.100 116.100 116.867 -0.767 18154 1120 1 2 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.789 -0.262 18154 1121 1 2 . 1 1 73 73 GLN C C 73 177.871 177.871 178.661 -0.790 18154 1122 1 2 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.794 -0.653 18154 1123 1 2 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.105 0.042 18154 1124 1 2 . 1 1 73 73 GLN H H 73 9.042 9.042 8.679 0.363 18154 1125 1 2 . 1 1 74 74 GLY N N 74 107.110 107.110 108.292 -1.182 18154 1126 1 2 . 1 1 74 74 GLY C C 74 175.894 175.894 176.399 -0.505 18154 1127 1 2 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.970 0.310 18154 1128 1 2 . 1 1 74 74 GLY H H 74 8.045 8.045 8.193 -0.148 18154 1129 1 2 . 1 1 75 75 ILE N N 75 123.629 123.629 122.712 0.917 18154 1130 1 2 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.379 -0.329 18154 1131 1 2 . 1 1 75 75 ILE C C 75 178.622 178.622 177.632 0.990 18154 1132 1 2 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.749 0.508 18154 1133 1 2 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.453 0.515 18154 1134 1 2 . 1 1 75 75 ILE H H 75 8.174 8.174 8.147 0.027 18154 1135 1 2 . 1 1 76 76 LYS N N 76 119.363 119.363 118.882 0.481 18154 1136 1 2 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.764 -0.459 18154 1137 1 2 . 1 1 76 76 LYS C C 76 177.909 177.909 178.136 -0.227 18154 1138 1 2 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.228 0.477 18154 1139 1 2 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.845 0.505 18154 1140 1 2 . 1 1 76 76 LYS H H 76 7.600 7.600 7.459 0.141 18154 1141 1 2 . 1 1 77 77 ASP N N 77 115.190 115.190 118.372 -3.182 18154 1142 1 2 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.532 -0.050 18154 1143 1 2 . 1 1 77 77 ASP C C 77 178.825 178.825 178.114 0.711 18154 1144 1 2 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.272 0.008 18154 1145 1 2 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.622 -0.432 18154 1146 1 2 . 1 1 77 77 ASP H H 77 8.482 8.482 8.173 0.309 18154 1147 1 2 . 1 1 78 78 SER N N 78 112.576 112.576 115.781 -3.205 18154 1148 1 2 . 1 1 78 78 SER HA H 78 4.728 4.728 4.399 0.329 18154 1149 1 2 . 1 1 78 78 SER C C 78 174.556 174.556 175.052 -0.496 18154 1150 1 2 . 1 1 78 78 SER CA C 78 60.045 60.045 59.746 0.299 18154 1151 1 2 . 1 1 78 78 SER CB C 78 64.643 64.643 64.077 0.566 18154 1152 1 2 . 1 1 78 78 SER H H 78 8.273 8.273 7.982 0.291 18154 1153 1 2 . 1 1 79 79 LEU N N 79 120.833 120.833 121.068 -0.235 18154 1154 1 2 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.405 0.410 18154 1155 1 2 . 1 1 79 79 LEU C C 79 176.251 176.251 178.731 -2.480 18154 1156 1 2 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.393 -2.433 18154 1157 1 2 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.262 -3.066 18154 1158 1 2 . 1 1 79 79 LEU H H 79 7.025 7.025 7.638 -0.613 18154 1159 1 2 . 1 1 80 80 GLY N N 80 108.861 108.861 106.858 2.003 18154 1160 1 2 . 1 1 80 80 GLY C C 80 173.623 173.623 173.637 -0.014 18154 1161 1 2 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.386 -0.157 18154 1162 1 2 . 1 1 80 80 GLY H H 80 7.499 7.499 8.113 -0.614 18154 1163 1 2 . 1 1 81 81 PHE N N 81 121.441 121.441 119.657 1.784 18154 1164 1 2 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.668 0.392 18154 1165 1 2 . 1 1 81 81 PHE C C 81 174.411 174.411 172.396 2.015 18154 1166 1 2 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.349 -0.138 18154 1167 1 2 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.752 -1.132 18154 1168 1 2 . 1 1 81 81 PHE H H 81 8.018 8.018 7.412 0.606 18154 1169 1 2 . 1 1 82 82 GLN N N 82 126.480 126.480 121.634 4.846 18154 1170 1 2 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.757 0.133 18154 1171 1 2 . 1 1 82 82 GLN C C 82 172.700 172.700 173.727 -1.027 18154 1172 1 2 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.134 2.043 18154 1173 1 2 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.818 1.782 18154 1174 1 2 . 1 1 82 82 GLN H H 82 9.588 9.588 7.396 2.192 18154 1175 1 2 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.413 -0.040 18154 1176 1 2 . 1 1 83 83 PRO C C 83 178.163 178.163 176.597 1.566 18154 1177 1 2 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.227 -0.536 18154 1178 1 2 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.711 -0.846 18154 1179 1 2 . 1 1 84 84 ASN N N 84 116.900 116.900 115.686 1.214 18154 1180 1 2 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.790 -0.021 18154 1181 1 2 . 1 1 84 84 ASN C C 84 173.332 173.332 173.431 -0.099 18154 1182 1 2 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.842 -0.282 18154 1183 1 2 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.546 -1.286 18154 1184 1 2 . 1 1 84 84 ASN H H 84 8.578 8.578 8.107 0.471 18154 1185 1 2 . 1 1 85 85 LEU N N 85 124.380 124.380 123.167 1.213 18154 1186 1 2 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.292 -0.246 18154 1187 1 2 . 1 1 85 85 LEU C C 85 175.880 175.880 175.273 0.607 18154 1188 1 2 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.441 1.401 18154 1189 1 2 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.121 -0.821 18154 1190 1 2 . 1 1 85 85 LEU H H 85 7.240 7.240 7.854 -0.614 18154 1191 1 2 . 1 1 86 86 ARG N N 86 128.715 128.715 125.369 3.346 18154 1192 1 2 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.099 0.695 18154 1193 1 2 . 1 1 86 86 ARG C C 86 175.554 175.554 174.971 0.583 18154 1194 1 2 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.158 1.284 18154 1195 1 2 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.562 -0.688 18154 1196 1 2 . 1 1 86 86 ARG H H 86 7.732 7.732 7.836 -0.104 18154 1197 1 2 . 1 1 87 87 TYR N N 87 117.420 117.420 119.691 -2.271 18154 1198 1 2 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.635 1.130 18154 1199 1 2 . 1 1 87 87 TYR C C 87 172.931 172.931 173.259 -0.328 18154 1200 1 2 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.437 -1.176 18154 1201 1 2 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.945 2.993 18154 1202 1 2 . 1 1 87 87 TYR H H 87 8.783 8.783 8.172 0.611 18154 1203 1 2 . 1 1 88 88 GLY N N 88 107.765 107.765 105.632 2.133 18154 1204 1 2 . 1 1 88 88 GLY C C 88 172.621 172.621 171.135 1.486 18154 1205 1 2 . 1 1 88 88 GLY CA C 88 43.861 43.861 43.122 0.739 18154 1206 1 2 . 1 1 88 88 GLY H H 88 8.905 8.905 8.237 0.668 18154 1207 1 2 . 1 1 89 89 VAL N N 89 118.180 118.180 118.476 -0.296 18154 1208 1 2 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.541 0.460 18154 1209 1 2 . 1 1 89 89 VAL C C 89 172.939 172.939 173.722 -0.783 18154 1210 1 2 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.797 0.202 18154 1211 1 2 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.794 0.604 18154 1212 1 2 . 1 1 89 89 VAL H H 89 7.499 7.499 8.138 -0.639 18154 1213 1 2 . 1 1 90 90 ILE N N 90 125.000 125.000 125.534 -0.534 18154 1214 1 2 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.098 0.029 18154 1215 1 2 . 1 1 90 90 ILE C C 90 173.099 173.099 173.816 -0.717 18154 1216 1 2 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.616 0.872 18154 1217 1 2 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.147 0.251 18154 1218 1 2 . 1 1 90 90 ILE H H 90 8.810 8.810 8.676 0.134 18154 1219 1 2 . 1 1 91 91 ALA N N 91 129.036 129.036 129.809 -0.773 18154 1220 1 2 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.387 -0.061 18154 1221 1 2 . 1 1 91 91 ALA C C 91 174.000 174.000 175.827 -1.827 18154 1222 1 2 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.669 -0.669 18154 1223 1 2 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.183 0.917 18154 1224 1 2 . 1 1 91 91 ALA H H 91 9.253 9.253 8.884 0.369 18154 1225 1 2 . 1 1 92 92 LEU HA H 92 4.931 4.931 4.869 0.062 18154 1226 1 2 . 1 1 92 92 LEU C C 92 177.366 177.366 176.372 0.994 18154 1227 1 2 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.459 0.458 18154 1228 1 2 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.093 -2.693 18154 1229 1 2 . 1 1 93 93 GLY N N 93 110.663 110.663 108.471 2.192 18154 1230 1 2 . 1 1 93 93 GLY C C 93 172.029 172.029 171.630 0.399 18154 1231 1 2 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.721 0.009 18154 1232 1 2 . 1 1 93 93 GLY H H 93 8.687 8.687 8.873 -0.186 18154 1233 1 2 . 1 1 94 94 ASP N N 94 119.304 119.304 120.406 -1.102 18154 1234 1 2 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.048 0.212 18154 1235 1 2 . 1 1 94 94 ASP C C 94 176.978 176.978 177.352 -0.374 18154 1236 1 2 . 1 1 94 94 ASP CA C 94 53.607 53.607 51.909 1.698 18154 1237 1 2 . 1 1 94 94 ASP CB C 94 43.000 43.000 41.687 1.313 18154 1238 1 2 . 1 1 94 94 ASP H H 94 8.129 8.129 8.370 -0.241 18154 1239 1 2 . 1 1 95 95 SER N N 95 123.897 123.897 121.928 1.969 18154 1240 1 2 . 1 1 95 95 SER HA H 95 3.895 3.895 4.157 -0.262 18154 1241 1 2 . 1 1 95 95 SER C C 95 175.243 175.243 175.166 0.077 18154 1242 1 2 . 1 1 95 95 SER CA C 95 60.183 60.183 60.349 -0.166 18154 1243 1 2 . 1 1 95 95 SER CB C 95 61.700 61.700 62.885 -1.185 18154 1244 1 2 . 1 1 95 95 SER H H 95 8.878 8.878 8.539 0.339 18154 1245 1 2 . 1 1 96 96 SER N N 96 119.248 119.248 114.802 4.446 18154 1246 1 2 . 1 1 96 96 SER HA H 96 4.209 4.209 4.475 -0.266 18154 1247 1 2 . 1 1 96 96 SER C C 96 173.900 173.900 174.363 -0.463 18154 1248 1 2 . 1 1 96 96 SER CA C 96 60.197 60.197 59.071 1.126 18154 1249 1 2 . 1 1 96 96 SER CB C 96 63.000 63.000 63.885 -0.885 18154 1250 1 2 . 1 1 96 96 SER H H 96 9.124 9.124 7.675 1.449 18154 1251 1 2 . 1 1 97 97 TYR N N 97 120.889 120.889 120.862 0.027 18154 1252 1 2 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.554 0.334 18154 1253 1 2 . 1 1 97 97 TYR C C 97 175.972 175.972 177.726 -1.754 18154 1254 1 2 . 1 1 97 97 TYR CA C 97 55.750 55.750 56.360 -0.610 18154 1255 1 2 . 1 1 97 97 TYR CB C 97 39.820 39.820 38.765 1.055 18154 1256 1 2 . 1 1 97 97 TYR H H 97 7.664 7.664 7.836 -0.172 18154 1257 1 2 . 1 1 98 98 VAL N N 98 116.952 116.952 120.863 -3.911 18154 1258 1 2 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.840 0.220 18154 1259 1 2 . 1 1 98 98 VAL C C 98 175.969 175.969 176.586 -0.617 18154 1260 1 2 . 1 1 98 98 VAL CA C 98 62.840 62.840 64.882 -2.042 18154 1261 1 2 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.621 0.979 18154 1262 1 2 . 1 1 98 98 VAL H H 98 7.970 7.970 8.475 -0.505 18154 1263 1 2 . 1 1 99 99 ASN N N 99 118.156 118.156 116.523 1.633 18154 1264 1 2 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.936 -0.425 18154 1265 1 2 . 1 1 99 99 ASN C C 99 174.329 174.329 175.795 -1.466 18154 1266 1 2 . 1 1 99 99 ASN CA C 99 53.031 53.031 53.322 -0.291 18154 1267 1 2 . 1 1 99 99 ASN CB C 99 37.238 37.238 39.128 -1.890 18154 1268 1 2 . 1 1 99 99 ASN H H 99 8.296 8.296 8.133 0.163 18154 1269 1 2 . 1 1 100 100 PHE N N 100 118.649 118.649 119.629 -0.980 18154 1270 1 2 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.157 0.258 18154 1271 1 2 . 1 1 100 100 PHE C C 100 174.400 174.400 175.852 -1.452 18154 1272 1 2 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.768 -3.578 18154 1273 1 2 . 1 1 100 100 PHE CB C 100 39.679 39.679 37.846 1.833 18154 1274 1 2 . 1 1 100 100 PHE H H 100 7.855 7.855 7.702 0.153 18154 1275 1 2 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.308 -0.723 18154 1276 1 2 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.856 4.884 18154 1277 1 2 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.082 -1.082 18154 1278 1 2 . 1 1 101 101 CYS H H 101 9.240 9.240 8.128 1.112 18154 1279 1 2 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.398 -0.178 18154 1280 1 2 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.701 0.499 18154 1281 1 2 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.541 0.059 18154 1282 1 2 . 1 1 102 102 ASN H H 102 8.300 8.300 8.903 -0.603 18154 1283 1 2 . 1 1 103 103 GLY C C 103 175.690 175.690 175.907 -0.217 18154 1284 1 2 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.186 0.164 18154 1285 1 2 . 1 1 104 104 GLY N N 104 106.150 106.150 109.618 -3.468 18154 1286 1 2 . 1 1 104 104 GLY C C 104 174.570 174.570 176.226 -1.656 18154 1287 1 2 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.388 0.962 18154 1288 1 2 . 1 1 104 104 GLY H H 104 7.108 7.108 7.691 -0.583 18154 1289 1 2 . 1 1 105 105 LYS N N 105 120.732 120.732 122.360 -1.628 18154 1290 1 2 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.959 -0.022 18154 1291 1 2 . 1 1 105 105 LYS C C 105 179.706 179.706 179.039 0.667 18154 1292 1 2 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.902 0.406 18154 1293 1 2 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.202 -0.405 18154 1294 1 2 . 1 1 105 105 LYS H H 105 7.708 7.708 7.532 0.175 18154 1295 1 2 . 1 1 106 106 GLN N N 106 119.087 119.087 118.569 0.518 18154 1296 1 2 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.087 0.055 18154 1297 1 2 . 1 1 106 106 GLN C C 106 179.418 179.418 178.489 0.929 18154 1298 1 2 . 1 1 106 106 GLN CA C 106 58.875 58.875 59.148 -0.273 18154 1299 1 2 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.537 0.222 18154 1300 1 2 . 1 1 106 106 GLN H H 106 8.738 8.738 8.532 0.206 18154 1301 1 2 . 1 1 107 107 PHE N N 107 123.088 123.088 119.892 3.196 18154 1302 1 2 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.436 -0.186 18154 1303 1 2 . 1 1 107 107 PHE C C 107 178.403 178.403 177.706 0.697 18154 1304 1 2 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.992 0.193 18154 1305 1 2 . 1 1 107 107 PHE CB C 107 39.451 39.451 39.183 0.268 18154 1306 1 2 . 1 1 107 107 PHE H H 107 7.922 7.922 7.765 0.157 18154 1307 1 2 . 1 1 108 108 ASP N N 108 117.118 117.118 120.268 -3.150 18154 1308 1 2 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.674 -0.300 18154 1309 1 2 . 1 1 108 108 ASP C C 108 176.973 176.973 178.328 -1.355 18154 1310 1 2 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.552 0.877 18154 1311 1 2 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.178 2.945 18154 1312 1 2 . 1 1 108 108 ASP H H 108 8.305 8.305 8.106 0.199 18154 1313 1 2 . 1 1 109 109 ALA N N 109 118.590 118.590 122.293 -3.703 18154 1314 1 2 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.164 -0.114 18154 1315 1 2 . 1 1 109 109 ALA C C 109 180.430 180.430 179.706 0.724 18154 1316 1 2 . 1 1 109 109 ALA CA C 109 55.196 55.196 54.908 0.288 18154 1317 1 2 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.408 -0.301 18154 1318 1 2 . 1 1 109 109 ALA H H 109 8.332 8.332 8.047 0.285 18154 1319 1 2 . 1 1 110 110 LEU N N 110 120.402 120.402 120.612 -0.210 18154 1320 1 2 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.883 0.202 18154 1321 1 2 . 1 1 110 110 LEU C C 110 177.801 177.801 178.861 -1.060 18154 1322 1 2 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.556 0.084 18154 1323 1 2 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.968 0.789 18154 1324 1 2 . 1 1 110 110 LEU H H 110 7.868 7.868 7.817 0.051 18154 1325 1 2 . 1 1 111 111 LEU N N 111 116.945 116.945 116.905 0.040 18154 1326 1 2 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.750 -0.032 18154 1327 1 2 . 1 1 111 111 LEU C C 111 179.838 179.838 179.144 0.694 18154 1328 1 2 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.873 0.092 18154 1329 1 2 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.011 -2.151 18154 1330 1 2 . 1 1 111 111 LEU H H 111 7.704 7.704 7.509 0.195 18154 1331 1 2 . 1 1 112 112 GLN N N 112 118.484 118.484 116.695 1.789 18154 1332 1 2 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.079 0.062 18154 1333 1 2 . 1 1 112 112 GLN C C 112 181.218 181.218 178.586 2.632 18154 1334 1 2 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.967 0.999 18154 1335 1 2 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.317 0.943 18154 1336 1 2 . 1 1 112 112 GLN H H 112 8.441 8.441 7.870 0.571 18154 1337 1 2 . 1 1 113 113 GLU N N 113 122.905 122.905 117.946 4.959 18154 1338 1 2 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.103 0.078 18154 1339 1 2 . 1 1 113 113 GLU C C 113 178.001 178.001 177.615 0.386 18154 1340 1 2 . 1 1 113 113 GLU CA C 113 58.985 58.985 58.143 0.842 18154 1341 1 2 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.310 -0.040 18154 1342 1 2 . 1 1 113 113 GLU H H 113 8.305 8.305 7.927 0.378 18154 1343 1 2 . 1 1 114 114 GLN N N 114 117.332 117.332 119.033 -1.701 18154 1344 1 2 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.244 0.351 18154 1345 1 2 . 1 1 114 114 GLN C C 114 174.538 174.538 177.193 -2.655 18154 1346 1 2 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.849 -1.432 18154 1347 1 2 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.247 -4.417 18154 1348 1 2 . 1 1 114 114 GLN H H 114 7.520 7.520 7.596 -0.076 18154 1349 1 2 . 1 1 115 115 SER N N 115 109.100 109.100 108.688 0.412 18154 1350 1 2 . 1 1 115 115 SER HA H 115 4.200 4.200 4.459 -0.259 18154 1351 1 2 . 1 1 115 115 SER C C 115 172.302 172.302 173.610 -1.308 18154 1352 1 2 . 1 1 115 115 SER CA C 115 60.400 60.400 58.346 2.054 18154 1353 1 2 . 1 1 115 115 SER CB C 115 61.325 61.325 64.465 -3.140 18154 1354 1 2 . 1 1 115 115 SER H H 115 7.950 7.950 8.167 -0.217 18154 1355 1 2 . 1 1 116 116 ALA N N 116 121.059 121.059 126.532 -5.473 18154 1356 1 2 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.154 0.640 18154 1357 1 2 . 1 1 116 116 ALA C C 116 176.774 176.774 176.816 -0.042 18154 1358 1 2 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.869 -1.179 18154 1359 1 2 . 1 1 116 116 ALA CB C 116 21.365 21.365 19.682 1.683 18154 1360 1 2 . 1 1 116 116 ALA H H 116 7.813 7.813 7.536 0.277 18154 1361 1 2 . 1 1 117 117 GLN N N 117 118.000 118.000 120.999 -2.999 18154 1362 1 2 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.459 0.159 18154 1363 1 2 . 1 1 117 117 GLN C C 117 173.769 173.769 175.876 -2.107 18154 1364 1 2 . 1 1 117 117 GLN CA C 117 54.556 54.556 55.725 -1.169 18154 1365 1 2 . 1 1 117 117 GLN CB C 117 30.735 30.735 30.182 0.553 18154 1366 1 2 . 1 1 117 117 GLN H H 117 8.591 8.591 8.314 0.277 18154 1367 1 2 . 1 1 118 118 ARG N N 118 127.947 127.947 120.471 7.476 18154 1368 1 2 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.184 -1.876 18154 1369 1 2 . 1 1 118 118 ARG C C 118 176.758 176.758 175.397 1.361 18154 1370 1 2 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.902 1.284 18154 1371 1 2 . 1 1 118 118 ARG CB C 118 30.310 30.310 33.126 -2.816 18154 1372 1 2 . 1 1 118 118 ARG H H 118 8.659 8.659 8.588 0.071 18154 1373 1 2 . 1 1 119 119 VAL N N 119 131.939 131.939 121.434 10.505 18154 1374 1 2 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.556 -0.443 18154 1375 1 2 . 1 1 119 119 VAL C C 119 176.775 176.775 176.584 0.191 18154 1376 1 2 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.567 0.607 18154 1377 1 2 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.477 -1.083 18154 1378 1 2 . 1 1 119 119 VAL H H 119 9.520 9.520 8.795 0.725 18154 1379 1 2 . 1 1 120 120 GLY N N 120 116.074 116.074 114.524 1.550 18154 1380 1 2 . 1 1 120 120 GLY C C 120 172.757 172.757 173.744 -0.987 18154 1381 1 2 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.301 -1.403 18154 1382 1 2 . 1 1 120 120 GLY H H 120 8.755 8.755 8.490 0.265 18154 1383 1 2 . 1 1 121 121 GLU N N 121 118.754 118.754 119.604 -0.850 18154 1384 1 2 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.855 -0.189 18154 1385 1 2 . 1 1 121 121 GLU C C 121 177.419 177.419 176.604 0.815 18154 1386 1 2 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.482 0.009 18154 1387 1 2 . 1 1 121 121 GLU CB C 121 31.498 31.498 31.351 0.147 18154 1388 1 2 . 1 1 121 121 GLU H H 121 8.594 8.594 8.563 0.031 18154 1389 1 2 . 1 1 122 122 MET N N 122 122.642 122.642 120.381 2.261 18154 1390 1 2 . 1 1 122 122 MET HA H 122 4.415 4.415 4.980 -0.565 18154 1391 1 2 . 1 1 122 122 MET C C 122 175.351 175.351 174.840 0.511 18154 1392 1 2 . 1 1 122 122 MET CA C 122 57.024 57.024 54.592 2.432 18154 1393 1 2 . 1 1 122 122 MET CB C 122 34.210 34.210 33.609 0.601 18154 1394 1 2 . 1 1 122 122 MET H H 122 8.892 8.892 8.599 0.293 18154 1395 1 2 . 1 1 123 123 LEU N N 123 129.535 129.535 122.113 7.422 18154 1396 1 2 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.430 -0.080 18154 1397 1 2 . 1 1 123 123 LEU C C 123 173.124 173.124 174.540 -1.416 18154 1398 1 2 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.120 0.619 18154 1399 1 2 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.629 -1.551 18154 1400 1 2 . 1 1 123 123 LEU H H 123 7.868 7.868 7.372 0.496 18154 1401 1 2 . 1 1 124 124 LEU N N 124 127.120 127.120 125.880 1.240 18154 1402 1 2 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.646 0.409 18154 1403 1 2 . 1 1 124 124 LEU C C 124 176.379 176.379 176.173 0.206 18154 1404 1 2 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.066 0.484 18154 1405 1 2 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.595 -1.217 18154 1406 1 2 . 1 1 124 124 LEU H H 124 8.346 8.346 8.257 0.089 18154 1407 1 2 . 1 1 125 125 ILE N N 125 124.337 124.337 125.730 -1.393 18154 1408 1 2 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.212 -0.032 18154 1409 1 2 . 1 1 125 125 ILE C C 125 174.303 174.303 175.284 -0.981 18154 1410 1 2 . 1 1 125 125 ILE CA C 125 61.100 61.100 62.084 -0.984 18154 1411 1 2 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.024 -0.081 18154 1412 1 2 . 1 1 125 125 ILE H H 125 8.974 8.974 8.674 0.300 18154 1413 1 2 . 1 1 126 126 ASP N N 126 127.113 127.113 129.231 -2.118 18154 1414 1 2 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.554 -0.439 18154 1415 1 2 . 1 1 126 126 ASP C C 126 176.766 176.766 176.143 0.623 18154 1416 1 2 . 1 1 126 126 ASP CA C 126 51.847 51.847 54.099 -2.252 18154 1417 1 2 . 1 1 126 126 ASP CB C 126 41.100 41.100 40.844 0.255 18154 1418 1 2 . 1 1 126 126 ASP H H 126 9.397 9.397 9.119 0.278 18154 1419 1 2 . 1 1 127 127 ALA N N 127 131.178 131.178 130.269 0.909 18154 1420 1 2 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.567 -0.251 18154 1421 1 2 . 1 1 127 127 ALA C C 127 178.530 178.530 178.295 0.235 18154 1422 1 2 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.241 -0.394 18154 1423 1 2 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.123 -0.331 18154 1424 1 2 . 1 1 127 127 ALA H H 127 9.696 9.696 9.116 0.580 18154 1425 1 2 . 1 1 128 128 SER N N 128 112.064 112.064 111.391 0.673 18154 1426 1 2 . 1 1 128 128 SER HA H 128 4.224 4.224 4.236 -0.012 18154 1427 1 2 . 1 1 128 128 SER C C 128 175.000 175.000 175.120 -0.120 18154 1428 1 2 . 1 1 128 128 SER CA C 128 61.246 61.246 60.592 0.654 18154 1429 1 2 . 1 1 128 128 SER CB C 128 63.310 63.310 63.389 -0.079 18154 1430 1 2 . 1 1 128 128 SER H H 128 8.373 8.373 8.405 -0.032 18154 1431 1 2 . 1 1 129 129 GLU N N 129 119.468 119.468 118.649 0.819 18154 1432 1 2 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.488 -0.088 18154 1433 1 2 . 1 1 129 129 GLU C C 129 175.947 175.947 176.157 -0.210 18154 1434 1 2 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.475 -0.060 18154 1435 1 2 . 1 1 129 129 GLU CB C 129 31.730 31.730 32.093 -0.363 18154 1436 1 2 . 1 1 129 129 GLU H H 129 7.267 7.267 7.718 -0.451 18154 1437 1 2 . 1 1 130 130 ASN N N 130 115.968 115.968 118.091 -2.123 18154 1438 1 2 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.104 0.062 18154 1439 1 2 . 1 1 130 130 ASN C C 130 172.000 172.000 173.719 -1.719 18154 1440 1 2 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.808 -0.585 18154 1441 1 2 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.955 -0.289 18154 1442 1 2 . 1 1 130 130 ASN H H 130 8.072 8.072 8.287 -0.215 18154 1443 1 2 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.492 0.058 18154 1444 1 2 . 1 1 131 131 PRO C C 131 176.400 176.400 176.118 0.282 18154 1445 1 2 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.706 -0.206 18154 1446 1 2 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.624 0.676 18154 1447 1 2 . 1 1 132 132 GLU N N 132 119.000 119.000 118.955 0.045 18154 1448 1 2 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.881 0.139 18154 1449 1 2 . 1 1 132 132 GLU C C 132 174.200 174.200 175.275 -1.075 18154 1450 1 2 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.002 -0.002 18154 1451 1 2 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.272 0.428 18154 1452 1 2 . 1 1 132 132 GLU H H 132 7.690 7.690 8.122 -0.432 18154 1453 1 2 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.210 -0.210 18154 1454 1 2 . 1 1 133 133 PRO C C 133 177.391 177.391 178.051 -0.660 18154 1455 1 2 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.248 0.221 18154 1456 1 2 . 1 1 133 133 PRO CB C 133 32.145 32.145 32.041 0.104 18154 1457 1 2 . 1 1 134 134 GLU N N 134 122.846 122.846 118.415 4.431 18154 1458 1 2 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.175 1.045 18154 1459 1 2 . 1 1 134 134 GLU C C 134 178.385 178.385 178.727 -0.342 18154 1460 1 2 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.552 -1.960 18154 1461 1 2 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.195 -1.605 18154 1462 1 2 . 1 1 134 134 GLU H H 134 10.707 10.707 8.931 1.776 18154 1463 1 2 . 1 1 135 135 THR N N 135 113.016 113.016 110.149 2.867 18154 1464 1 2 . 1 1 135 135 THR HA H 135 4.182 4.182 4.223 -0.041 18154 1465 1 2 . 1 1 135 135 THR C C 135 176.460 176.460 176.082 0.378 18154 1466 1 2 . 1 1 135 135 THR CA C 135 64.752 64.752 64.830 -0.078 18154 1467 1 2 . 1 1 135 135 THR CB C 135 69.248 69.248 68.889 0.359 18154 1468 1 2 . 1 1 135 135 THR H H 135 8.168 8.168 8.113 0.055 18154 1469 1 2 . 1 1 136 136 GLU N N 136 118.978 118.978 121.817 -2.839 18154 1470 1 2 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.368 0.196 18154 1471 1 2 . 1 1 136 136 GLU C C 136 178.370 178.370 178.662 -0.292 18154 1472 1 2 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.527 -1.614 18154 1473 1 2 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.559 1.541 18154 1474 1 2 . 1 1 136 136 GLU H H 136 7.680 7.680 7.612 0.068 18154 1475 1 2 . 1 1 137 137 SER N N 137 116.501 116.501 115.616 0.885 18154 1476 1 2 . 1 1 137 137 SER HA H 137 4.033 4.033 4.214 -0.181 18154 1477 1 2 . 1 1 137 137 SER C C 137 175.670 175.670 176.608 -0.938 18154 1478 1 2 . 1 1 137 137 SER CA C 137 62.330 62.330 61.839 0.491 18154 1479 1 2 . 1 1 137 137 SER CB C 137 61.380 61.380 63.018 -1.638 18154 1480 1 2 . 1 1 137 137 SER H H 137 8.824 8.824 8.267 0.557 18154 1481 1 2 . 1 1 138 138 ASN N N 138 123.517 123.517 121.418 2.099 18154 1482 1 2 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.693 -0.102 18154 1483 1 2 . 1 1 138 138 ASN C C 138 175.700 175.700 175.332 0.368 18154 1484 1 2 . 1 1 138 138 ASN CA C 138 57.486 57.486 58.019 -0.533 18154 1485 1 2 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.114 -2.861 18154 1486 1 2 . 1 1 138 138 ASN H H 138 8.564 8.564 8.511 0.053 18154 1487 1 2 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.336 0.119 18154 1488 1 2 . 1 1 139 139 PRO C C 139 180.033 180.033 178.422 1.611 18154 1489 1 2 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.195 0.415 18154 1490 1 2 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.298 -0.762 18154 1491 1 2 . 1 1 140 140 TRP N N 140 119.700 119.700 121.853 -2.153 18154 1492 1 2 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.427 -0.094 18154 1493 1 2 . 1 1 140 140 TRP C C 140 179.195 179.195 177.951 1.244 18154 1494 1 2 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.781 0.399 18154 1495 1 2 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.617 1.133 18154 1496 1 2 . 1 1 140 140 TRP H H 140 7.057 7.057 7.480 -0.423 18154 1497 1 2 . 1 1 141 141 VAL N N 141 122.879 122.879 118.361 4.518 18154 1498 1 2 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.793 -0.057 18154 1499 1 2 . 1 1 141 141 VAL C C 141 177.416 177.416 178.668 -1.252 18154 1500 1 2 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.234 -0.518 18154 1501 1 2 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.289 0.143 18154 1502 1 2 . 1 1 141 141 VAL H H 141 9.629 9.629 8.825 0.804 18154 1503 1 2 . 1 1 142 142 GLU N N 142 119.965 119.965 120.376 -0.411 18154 1504 1 2 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.900 -0.168 18154 1505 1 2 . 1 1 142 142 GLU C C 142 178.800 178.800 178.929 -0.129 18154 1506 1 2 . 1 1 142 142 GLU CA C 142 59.332 59.332 60.032 -0.700 18154 1507 1 2 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.695 -0.135 18154 1508 1 2 . 1 1 142 142 GLU H H 142 8.551 8.551 8.342 0.209 18154 1509 1 2 . 1 1 143 143 GLN N N 143 115.364 115.364 119.294 -3.930 18154 1510 1 2 . 1 1 143 143 GLN HA H 143 4.290 4.290 3.984 0.306 18154 1511 1 2 . 1 1 143 143 GLN C C 143 177.840 177.840 178.156 -0.316 18154 1512 1 2 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.716 0.647 18154 1513 1 2 . 1 1 143 143 GLN CB C 143 29.362 29.362 28.791 0.570 18154 1514 1 2 . 1 1 143 143 GLN H H 143 7.380 7.380 7.776 -0.396 18154 1515 1 2 . 1 1 144 144 TRP N N 144 126.680 126.680 122.278 4.402 18154 1516 1 2 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.942 -0.608 18154 1517 1 2 . 1 1 144 144 TRP C C 144 178.200 178.200 178.454 -0.254 18154 1518 1 2 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.703 2.257 18154 1519 1 2 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.251 0.274 18154 1520 1 2 . 1 1 144 144 TRP H H 144 9.215 9.215 8.663 0.552 18154 1521 1 2 . 1 1 145 145 GLY N N 145 100.130 100.130 105.625 -5.495 18154 1522 1 2 . 1 1 145 145 GLY C C 145 177.391 177.391 175.182 2.209 18154 1523 1 2 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.305 -0.545 18154 1524 1 2 . 1 1 145 145 GLY H H 145 8.834 8.834 8.587 0.247 18154 1525 1 2 . 1 1 146 146 THR N N 146 110.831 110.831 114.177 -3.346 18154 1526 1 2 . 1 1 146 146 THR HA H 146 4.319 4.319 4.116 0.203 18154 1527 1 2 . 1 1 146 146 THR C C 146 175.574 175.574 175.609 -0.035 18154 1528 1 2 . 1 1 146 146 THR CA C 146 63.260 63.260 64.340 -1.080 18154 1529 1 2 . 1 1 146 146 THR CB C 146 69.660 69.660 68.398 1.262 18154 1530 1 2 . 1 1 146 146 THR H H 146 7.594 7.594 7.643 -0.049 18154 1531 1 2 . 1 1 147 147 LEU N N 147 120.678 120.678 120.426 0.252 18154 1532 1 2 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.161 -0.103 18154 1533 1 2 . 1 1 147 147 LEU C C 147 177.176 177.176 176.786 0.390 18154 1534 1 2 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.651 -1.337 18154 1535 1 2 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.733 -0.505 18154 1536 1 2 . 1 1 147 147 LEU H H 147 7.458 7.458 7.533 -0.075 18154 1537 1 2 . 1 1 148 148 LEU N N 148 117.062 117.062 118.282 -1.220 18154 1538 1 2 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.691 0.027 18154 1539 1 2 . 1 1 148 148 LEU C C 148 175.570 175.570 176.463 -0.893 18154 1540 1 2 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.427 -0.476 18154 1541 1 2 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.080 -1.480 18154 1542 1 2 . 1 1 148 148 LEU H H 148 6.482 6.482 6.872 -0.390 18154 1543 1 3 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.740 -0.511 18154 1544 1 3 . 1 1 2 2 ALA C C 2 173.315 173.315 175.576 -2.261 18154 1545 1 3 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.472 0.108 18154 1546 1 3 . 1 1 2 2 ALA CB C 2 20.223 20.223 21.099 -0.876 18154 1547 1 3 . 1 1 3 3 GLU N N 3 121.874 121.874 120.461 1.413 18154 1548 1 3 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.582 -0.308 18154 1549 1 3 . 1 1 3 3 GLU C C 3 174.545 174.545 175.426 -0.881 18154 1550 1 3 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.063 0.787 18154 1551 1 3 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.358 -0.638 18154 1552 1 3 . 1 1 3 3 GLU H H 3 8.696 8.696 8.897 -0.201 18154 1553 1 3 . 1 1 4 4 ILE N N 4 120.672 120.672 125.466 -4.794 18154 1554 1 3 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.772 0.337 18154 1555 1 3 . 1 1 4 4 ILE C C 4 175.463 175.463 174.784 0.679 18154 1556 1 3 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.061 -0.228 18154 1557 1 3 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.822 2.848 18154 1558 1 3 . 1 1 4 4 ILE H H 4 8.860 8.860 9.263 -0.403 18154 1559 1 3 . 1 1 5 5 GLY N N 5 119.310 119.310 114.371 4.939 18154 1560 1 3 . 1 1 5 5 GLY C C 5 171.260 171.260 172.821 -1.561 18154 1561 1 3 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.257 0.563 18154 1562 1 3 . 1 1 5 5 GLY H H 5 8.469 8.469 7.989 0.480 18154 1563 1 3 . 1 1 6 6 ILE N N 6 126.915 126.915 125.699 1.216 18154 1564 1 3 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.029 0.161 18154 1565 1 3 . 1 1 6 6 ILE C C 6 173.901 173.901 174.416 -0.515 18154 1566 1 3 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.609 -0.609 18154 1567 1 3 . 1 1 6 6 ILE CB C 6 38.000 38.000 40.001 -2.001 18154 1568 1 3 . 1 1 6 6 ILE H H 6 9.056 9.056 9.113 -0.057 18154 1569 1 3 . 1 1 7 7 PHE N N 7 127.354 127.354 127.177 0.177 18154 1570 1 3 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.014 -0.502 18154 1571 1 3 . 1 1 7 7 PHE C C 7 174.230 174.230 174.719 -0.489 18154 1572 1 3 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.605 1.806 18154 1573 1 3 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.690 1.038 18154 1574 1 3 . 1 1 7 7 PHE H H 7 8.960 8.960 9.388 -0.428 18154 1575 1 3 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.022 0.038 18154 1576 1 3 . 1 1 8 8 VAL C C 8 175.450 175.450 175.986 -0.536 18154 1577 1 3 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.355 0.845 18154 1578 1 3 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.131 0.306 18154 1579 1 3 . 1 1 9 9 GLY N N 9 115.000 115.000 118.161 -3.161 18154 1580 1 3 . 1 1 9 9 GLY C C 9 173.150 173.150 172.410 0.740 18154 1581 1 3 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.611 0.389 18154 1582 1 3 . 1 1 9 9 GLY H H 9 9.393 9.393 9.040 0.353 18154 1583 1 3 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.716 -0.021 18154 1584 1 3 . 1 1 12 12 TYR C C 12 176.560 176.560 175.337 1.223 18154 1585 1 3 . 1 1 12 12 TYR CA C 12 57.750 57.750 57.442 0.308 18154 1586 1 3 . 1 1 12 12 TYR CB C 12 38.000 38.000 39.950 -1.950 18154 1587 1 3 . 1 1 13 13 GLY N N 13 109.870 109.870 110.034 -0.164 18154 1588 1 3 . 1 1 13 13 GLY C C 13 175.930 175.930 173.946 1.984 18154 1589 1 3 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.904 1.096 18154 1590 1 3 . 1 1 13 13 GLY H H 13 8.500 8.500 7.568 0.932 18154 1591 1 3 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.587 -0.357 18154 1592 1 3 . 1 1 17 17 LEU C C 17 179.210 179.210 176.739 2.471 18154 1593 1 3 . 1 1 17 17 LEU CA C 17 58.400 58.400 55.768 2.632 18154 1594 1 3 . 1 1 17 17 LEU CB C 17 41.300 41.300 43.629 -2.329 18154 1595 1 3 . 1 1 18 18 VAL N N 18 117.231 117.231 121.546 -4.315 18154 1596 1 3 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.550 -0.227 18154 1597 1 3 . 1 1 18 18 VAL C C 18 178.460 178.460 177.291 1.169 18154 1598 1 3 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.389 0.477 18154 1599 1 3 . 1 1 18 18 VAL CB C 18 31.460 31.460 31.510 -0.050 18154 1600 1 3 . 1 1 18 18 VAL H H 18 7.645 7.645 8.544 -0.899 18154 1601 1 3 . 1 1 19 19 ALA N N 19 121.820 121.820 121.309 0.511 18154 1602 1 3 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.921 -0.105 18154 1603 1 3 . 1 1 19 19 ALA C C 19 178.180 178.180 179.605 -1.425 18154 1604 1 3 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.233 0.343 18154 1605 1 3 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.114 1.886 18154 1606 1 3 . 1 1 19 19 ALA H H 19 8.010 8.010 8.256 -0.246 18154 1607 1 3 . 1 1 20 20 GLU N N 20 118.960 118.960 118.254 0.706 18154 1608 1 3 . 1 1 20 20 GLU HA H 20 4.016 4.016 3.992 0.024 18154 1609 1 3 . 1 1 20 20 GLU C C 20 180.950 180.950 179.356 1.594 18154 1610 1 3 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.123 0.543 18154 1611 1 3 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.364 -0.064 18154 1612 1 3 . 1 1 20 20 GLU H H 20 8.700 8.700 8.012 0.688 18154 1613 1 3 . 1 1 21 21 GLU N N 21 121.371 121.371 119.457 1.914 18154 1614 1 3 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.077 -0.033 18154 1615 1 3 . 1 1 21 21 GLU C C 21 179.419 179.419 178.814 0.605 18154 1616 1 3 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.194 0.116 18154 1617 1 3 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.279 0.282 18154 1618 1 3 . 1 1 21 21 GLU H H 21 8.632 8.632 7.705 0.927 18154 1619 1 3 . 1 1 22 22 ALA N N 22 121.329 121.329 122.921 -1.592 18154 1620 1 3 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.071 -0.013 18154 1621 1 3 . 1 1 22 22 ALA C C 22 178.823 178.823 179.385 -0.562 18154 1622 1 3 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.691 -1.014 18154 1623 1 3 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.097 -0.454 18154 1624 1 3 . 1 1 22 22 ALA H H 22 8.182 8.182 8.620 -0.438 18154 1625 1 3 . 1 1 23 23 GLU N N 23 119.035 119.035 119.510 -0.475 18154 1626 1 3 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.034 -0.630 18154 1627 1 3 . 1 1 23 23 GLU C C 23 178.375 178.375 178.635 -0.260 18154 1628 1 3 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.730 0.578 18154 1629 1 3 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.505 -0.575 18154 1630 1 3 . 1 1 23 23 GLU H H 23 8.387 8.387 8.316 0.071 18154 1631 1 3 . 1 1 24 24 ALA N N 24 122.207 122.207 122.434 -0.227 18154 1632 1 3 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.096 -0.066 18154 1633 1 3 . 1 1 24 24 ALA C C 24 181.132 181.132 179.917 1.215 18154 1634 1 3 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.091 0.396 18154 1635 1 3 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.587 -0.588 18154 1636 1 3 . 1 1 24 24 ALA H H 24 7.535 7.535 7.863 -0.328 18154 1637 1 3 . 1 1 25 25 ILE N N 25 121.059 121.059 120.045 1.014 18154 1638 1 3 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.714 -0.050 18154 1639 1 3 . 1 1 25 25 ILE C C 25 178.419 178.419 177.927 0.492 18154 1640 1 3 . 1 1 25 25 ILE CA C 25 65.108 65.108 65.996 -0.888 18154 1641 1 3 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.139 0.825 18154 1642 1 3 . 1 1 25 25 ILE H H 25 7.800 7.800 8.535 -0.735 18154 1643 1 3 . 1 1 26 26 LEU N N 26 119.307 119.307 120.608 -1.301 18154 1644 1 3 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.090 0.086 18154 1645 1 3 . 1 1 26 26 LEU C C 26 179.863 179.863 179.603 0.260 18154 1646 1 3 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.260 -0.314 18154 1647 1 3 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.154 -0.014 18154 1648 1 3 . 1 1 26 26 LEU H H 26 8.509 8.509 8.621 -0.112 18154 1649 1 3 . 1 1 27 27 THR N N 27 117.830 117.830 116.006 1.824 18154 1650 1 3 . 1 1 27 27 THR HA H 27 4.524 4.524 4.323 0.201 18154 1651 1 3 . 1 1 27 27 THR C C 27 179.027 179.027 176.401 2.626 18154 1652 1 3 . 1 1 27 27 THR CA C 27 66.000 66.000 66.599 -0.599 18154 1653 1 3 . 1 1 27 27 THR CB C 27 68.600 68.600 68.639 -0.039 18154 1654 1 3 . 1 1 27 27 THR H H 27 8.796 8.796 8.510 0.286 18154 1655 1 3 . 1 1 28 28 ALA N N 28 126.313 126.313 122.534 3.779 18154 1656 1 3 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.142 0.063 18154 1657 1 3 . 1 1 28 28 ALA C C 28 179.360 179.360 179.623 -0.263 18154 1658 1 3 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.266 0.734 18154 1659 1 3 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.206 -0.556 18154 1660 1 3 . 1 1 28 28 ALA H H 28 7.832 7.832 7.880 -0.048 18154 1661 1 3 . 1 1 29 29 GLN N N 29 115.527 115.527 116.416 -0.889 18154 1662 1 3 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.151 -0.024 18154 1663 1 3 . 1 1 29 29 GLN C C 29 176.547 176.547 176.965 -0.418 18154 1664 1 3 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.745 -0.182 18154 1665 1 3 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.632 -0.222 18154 1666 1 3 . 1 1 29 29 GLN H H 29 7.353 7.353 8.249 -0.896 18154 1667 1 3 . 1 1 30 30 GLY N N 30 105.961 105.961 106.365 -0.404 18154 1668 1 3 . 1 1 30 30 GLY C C 30 174.785 174.785 173.477 1.308 18154 1669 1 3 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.584 -0.083 18154 1670 1 3 . 1 1 30 30 GLY H H 30 7.923 7.923 7.677 0.246 18154 1671 1 3 . 1 1 31 31 HIS N N 31 119.471 119.471 118.578 0.893 18154 1672 1 3 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.844 -0.009 18154 1673 1 3 . 1 1 31 31 HIS C C 31 174.665 174.665 173.890 0.775 18154 1674 1 3 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.936 0.906 18154 1675 1 3 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.706 0.294 18154 1676 1 3 . 1 1 31 31 HIS H H 31 7.558 7.558 8.191 -0.633 18154 1677 1 3 . 1 1 32 32 LYS N N 32 121.854 121.854 121.047 0.807 18154 1678 1 3 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.566 0.157 18154 1679 1 3 . 1 1 32 32 LYS C C 32 174.466 174.466 174.354 0.112 18154 1680 1 3 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.640 0.225 18154 1681 1 3 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.798 0.162 18154 1682 1 3 . 1 1 32 32 LYS H H 32 8.665 8.665 8.837 -0.172 18154 1683 1 3 . 1 1 33 33 ALA N N 33 130.188 130.188 129.801 0.387 18154 1684 1 3 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.616 0.202 18154 1685 1 3 . 1 1 33 33 ALA C C 33 175.567 175.567 176.254 -0.687 18154 1686 1 3 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.651 -0.675 18154 1687 1 3 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.855 0.443 18154 1688 1 3 . 1 1 33 33 ALA H H 33 8.837 8.837 7.993 0.844 18154 1689 1 3 . 1 1 34 34 THR N N 34 117.164 117.164 116.198 0.966 18154 1690 1 3 . 1 1 34 34 THR HA H 34 4.359 4.359 4.621 -0.262 18154 1691 1 3 . 1 1 34 34 THR C C 34 171.315 171.315 172.898 -1.583 18154 1692 1 3 . 1 1 34 34 THR CA C 34 61.840 61.840 61.004 0.836 18154 1693 1 3 . 1 1 34 34 THR CB C 34 71.800 71.800 72.504 -0.704 18154 1694 1 3 . 1 1 34 34 THR H H 34 7.826 7.826 8.835 -1.009 18154 1695 1 3 . 1 1 35 35 VAL N N 35 126.650 126.650 122.606 4.044 18154 1696 1 3 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.407 -0.224 18154 1697 1 3 . 1 1 35 35 VAL C C 35 174.675 174.675 174.982 -0.307 18154 1698 1 3 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.806 0.122 18154 1699 1 3 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.940 -0.290 18154 1700 1 3 . 1 1 35 35 VAL H H 35 8.496 8.496 8.271 0.225 18154 1701 1 3 . 1 1 36 36 PHE N N 36 127.630 127.630 126.414 1.216 18154 1702 1 3 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.693 -0.142 18154 1703 1 3 . 1 1 36 36 PHE C C 36 174.347 174.347 174.320 0.027 18154 1704 1 3 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.620 0.862 18154 1705 1 3 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.936 -0.771 18154 1706 1 3 . 1 1 36 36 PHE H H 36 9.164 9.164 9.114 0.050 18154 1707 1 3 . 1 1 37 37 GLU N N 37 123.516 123.516 124.255 -0.739 18154 1708 1 3 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.476 -0.006 18154 1709 1 3 . 1 1 37 37 GLU C C 37 175.954 175.954 176.124 -0.170 18154 1710 1 3 . 1 1 37 37 GLU CA C 37 55.719 55.719 55.995 -0.276 18154 1711 1 3 . 1 1 37 37 GLU CB C 37 31.460 31.460 31.473 -0.013 18154 1712 1 3 . 1 1 37 37 GLU H H 37 8.455 8.455 8.556 -0.101 18154 1713 1 3 . 1 1 38 38 ASP N N 38 120.395 120.395 121.644 -1.249 18154 1714 1 3 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.492 0.341 18154 1715 1 3 . 1 1 38 38 ASP C C 38 173.920 173.920 174.686 -0.766 18154 1716 1 3 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.002 0.476 18154 1717 1 3 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.498 0.106 18154 1718 1 3 . 1 1 38 38 ASP H H 38 9.602 9.602 8.646 0.956 18154 1719 1 3 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.662 0.018 18154 1720 1 3 . 1 1 39 39 PRO C C 39 176.274 176.274 176.249 0.025 18154 1721 1 3 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.462 -0.478 18154 1722 1 3 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.258 1.142 18154 1723 1 3 . 1 1 40 40 GLU N N 40 119.026 119.026 120.998 -1.972 18154 1724 1 3 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.627 0.101 18154 1725 1 3 . 1 1 40 40 GLU C C 40 177.827 177.827 178.439 -0.612 18154 1726 1 3 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.141 -0.171 18154 1727 1 3 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.203 2.197 18154 1728 1 3 . 1 1 40 40 GLU H H 40 9.178 9.178 9.027 0.151 18154 1729 1 3 . 1 1 41 41 LEU N N 41 123.708 123.708 123.631 0.077 18154 1730 1 3 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.250 -0.356 18154 1731 1 3 . 1 1 41 41 LEU C C 41 178.730 178.730 177.506 1.224 18154 1732 1 3 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.464 0.943 18154 1733 1 3 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.685 -0.033 18154 1734 1 3 . 1 1 41 41 LEU H H 41 9.160 9.160 8.660 0.500 18154 1735 1 3 . 1 1 42 42 SER N N 42 110.500 110.500 113.820 -3.320 18154 1736 1 3 . 1 1 42 42 SER HA H 42 4.010 4.010 4.235 -0.225 18154 1737 1 3 . 1 1 42 42 SER C C 42 176.300 176.300 175.198 1.102 18154 1738 1 3 . 1 1 42 42 SER CA C 42 61.600 61.600 60.821 0.779 18154 1739 1 3 . 1 1 42 42 SER CB C 42 62.140 62.140 62.855 -0.715 18154 1740 1 3 . 1 1 42 42 SER H H 42 8.415 8.415 8.504 -0.089 18154 1741 1 3 . 1 1 43 43 ASP N N 43 119.770 119.770 120.401 -0.631 18154 1742 1 3 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.673 -0.216 18154 1743 1 3 . 1 1 43 43 ASP C C 43 176.150 176.150 176.141 0.009 18154 1744 1 3 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.873 0.877 18154 1745 1 3 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.034 1.666 18154 1746 1 3 . 1 1 43 43 ASP H H 43 7.690 7.690 8.065 -0.375 18154 1747 1 3 . 1 1 44 44 TRP N N 44 118.500 118.500 121.278 -2.778 18154 1748 1 3 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.564 -0.354 18154 1749 1 3 . 1 1 44 44 TRP C C 44 177.150 177.150 177.348 -0.198 18154 1750 1 3 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.846 0.541 18154 1751 1 3 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.532 -0.222 18154 1752 1 3 . 1 1 44 44 TRP H H 44 7.464 7.464 7.656 -0.192 18154 1753 1 3 . 1 1 45 45 LEU N N 45 114.100 114.100 121.228 -7.128 18154 1754 1 3 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.033 0.142 18154 1755 1 3 . 1 1 45 45 LEU C C 45 176.300 176.300 175.620 0.680 18154 1756 1 3 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.294 -0.734 18154 1757 1 3 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.461 -0.241 18154 1758 1 3 . 1 1 45 45 LEU H H 45 7.550 7.550 8.353 -0.803 18154 1759 1 3 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.230 0.150 18154 1760 1 3 . 1 1 46 46 PRO C C 46 176.799 176.799 177.240 -0.441 18154 1761 1 3 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.629 0.659 18154 1762 1 3 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.149 0.451 18154 1763 1 3 . 1 1 47 47 TYR N N 47 113.790 113.790 116.146 -2.356 18154 1764 1 3 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.601 -0.481 18154 1765 1 3 . 1 1 47 47 TYR C C 47 175.730 175.730 177.933 -2.203 18154 1766 1 3 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.395 1.805 18154 1767 1 3 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.499 0.517 18154 1768 1 3 . 1 1 47 47 TYR H H 47 8.291 8.291 8.238 0.053 18154 1769 1 3 . 1 1 48 48 GLN N N 48 116.524 116.524 120.083 -3.559 18154 1770 1 3 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.969 -0.084 18154 1771 1 3 . 1 1 48 48 GLN C C 48 174.381 174.381 176.083 -1.702 18154 1772 1 3 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.417 0.409 18154 1773 1 3 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.728 2.272 18154 1774 1 3 . 1 1 48 48 GLN H H 48 7.300 7.300 7.504 -0.204 18154 1775 1 3 . 1 1 49 49 ASP N N 49 114.657 114.657 113.639 1.018 18154 1776 1 3 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.633 0.054 18154 1777 1 3 . 1 1 49 49 ASP C C 49 176.307 176.307 175.689 0.618 18154 1778 1 3 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.846 -2.111 18154 1779 1 3 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.271 -1.071 18154 1780 1 3 . 1 1 49 49 ASP H H 49 7.854 7.854 8.392 -0.538 18154 1781 1 3 . 1 1 50 50 LYS N N 50 123.514 123.514 119.373 4.141 18154 1782 1 3 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.325 0.265 18154 1783 1 3 . 1 1 50 50 LYS C C 50 172.964 172.964 175.448 -2.484 18154 1784 1 3 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.962 -1.269 18154 1785 1 3 . 1 1 50 50 LYS CB C 50 33.355 33.355 34.433 -1.078 18154 1786 1 3 . 1 1 50 50 LYS H H 50 7.833 7.833 7.264 0.569 18154 1787 1 3 . 1 1 51 51 TYR N N 51 118.375 118.375 115.579 2.796 18154 1788 1 3 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.644 0.411 18154 1789 1 3 . 1 1 51 51 TYR C C 51 175.875 175.875 176.190 -0.315 18154 1790 1 3 . 1 1 51 51 TYR CA C 51 56.421 56.421 56.765 -0.344 18154 1791 1 3 . 1 1 51 51 TYR CB C 51 42.477 42.477 42.167 0.310 18154 1792 1 3 . 1 1 51 51 TYR H H 51 7.745 7.745 8.454 -0.709 18154 1793 1 3 . 1 1 52 52 VAL N N 52 112.527 112.527 114.783 -2.256 18154 1794 1 3 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.984 0.516 18154 1795 1 3 . 1 1 52 52 VAL C C 52 173.910 173.910 173.989 -0.079 18154 1796 1 3 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.539 -1.843 18154 1797 1 3 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.366 1.126 18154 1798 1 3 . 1 1 52 52 VAL H H 52 8.673 8.673 8.390 0.283 18154 1799 1 3 . 1 1 53 53 LEU N N 53 124.294 124.294 125.072 -0.778 18154 1800 1 3 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.348 -0.448 18154 1801 1 3 . 1 1 53 53 LEU C C 53 175.070 175.070 174.587 0.483 18154 1802 1 3 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.211 -0.644 18154 1803 1 3 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.569 -1.339 18154 1804 1 3 . 1 1 53 53 LEU H H 53 9.137 9.137 9.111 0.026 18154 1805 1 3 . 1 1 54 54 VAL N N 54 127.850 127.850 126.013 1.837 18154 1806 1 3 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.745 -0.235 18154 1807 1 3 . 1 1 54 54 VAL C C 54 174.030 174.030 174.400 -0.370 18154 1808 1 3 . 1 1 54 54 VAL CA C 54 61.825 61.825 60.372 1.453 18154 1809 1 3 . 1 1 54 54 VAL CB C 54 32.691 32.691 32.751 -0.060 18154 1810 1 3 . 1 1 54 54 VAL H H 54 8.619 8.619 8.852 -0.233 18154 1811 1 3 . 1 1 55 55 VAL N N 55 127.181 127.181 127.582 -0.401 18154 1812 1 3 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.910 0.175 18154 1813 1 3 . 1 1 55 55 VAL C C 55 174.942 174.942 174.699 0.243 18154 1814 1 3 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.696 -0.627 18154 1815 1 3 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.322 -0.100 18154 1816 1 3 . 1 1 55 55 VAL H H 55 8.578 8.578 9.044 -0.466 18154 1817 1 3 . 1 1 56 56 THR N N 56 117.420 117.420 123.129 -5.709 18154 1818 1 3 . 1 1 56 56 THR HA H 56 5.590 5.590 5.016 0.574 18154 1819 1 3 . 1 1 56 56 THR C C 56 172.640 172.640 173.269 -0.629 18154 1820 1 3 . 1 1 56 56 THR CA C 56 59.359 59.359 61.131 -1.772 18154 1821 1 3 . 1 1 56 56 THR CB C 56 70.715 70.715 70.551 0.164 18154 1822 1 3 . 1 1 56 56 THR H H 56 8.710 8.710 8.865 -0.155 18154 1823 1 3 . 1 1 57 57 SER HA H 57 5.250 5.250 5.125 0.125 18154 1824 1 3 . 1 1 57 57 SER CA C 57 57.730 57.730 57.497 0.233 18154 1825 1 3 . 1 1 57 57 SER CB C 57 64.500 64.500 64.785 -0.285 18154 1826 1 3 . 1 1 57 57 SER H H 57 8.075 8.075 8.534 -0.460 18154 1827 1 3 . 1 1 58 58 THR H H 58 7.900 7.900 8.547 -0.647 18154 1828 1 3 . 1 1 59 59 THR HA H 59 4.900 4.900 4.200 0.700 18154 1829 1 3 . 1 1 59 59 THR CA C 59 61.200 61.200 65.857 -4.657 18154 1830 1 3 . 1 1 59 59 THR CB C 59 73.400 73.400 69.387 4.013 18154 1831 1 3 . 1 1 59 59 THR H H 59 9.230 9.230 7.654 1.576 18154 1832 1 3 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.531 0.969 18154 1833 1 3 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.014 0.392 18154 1834 1 3 . 1 1 61 61 GLN C C 61 175.950 175.950 175.579 0.371 18154 1835 1 3 . 1 1 61 61 GLN CA C 61 55.350 55.350 56.975 -1.625 18154 1836 1 3 . 1 1 61 61 GLN CB C 61 29.160 29.160 29.394 -0.234 18154 1837 1 3 . 1 1 62 62 GLY N N 62 108.420 108.420 106.038 2.382 18154 1838 1 3 . 1 1 62 62 GLY C C 62 173.134 173.134 172.980 0.154 18154 1839 1 3 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.783 1.000 18154 1840 1 3 . 1 1 62 62 GLY H H 62 8.073 8.073 7.455 0.618 18154 1841 1 3 . 1 1 63 63 ASP N N 63 118.400 118.400 120.210 -1.810 18154 1842 1 3 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.767 0.013 18154 1843 1 3 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.301 0.995 18154 1844 1 3 . 1 1 63 63 ASP CB C 63 42.740 42.740 43.683 -0.943 18154 1845 1 3 . 1 1 63 63 ASP H H 63 7.248 7.248 8.422 -1.174 18154 1846 1 3 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.612 -0.212 18154 1847 1 3 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.246 1.904 18154 1848 1 3 . 1 1 64 64 LEU CB C 64 41.687 41.687 44.209 -2.522 18154 1849 1 3 . 1 1 64 64 LEU H H 64 8.445 8.445 8.026 0.419 18154 1850 1 3 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.482 -0.189 18154 1851 1 3 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.296 0.048 18154 1852 1 3 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.682 -0.202 18154 1853 1 3 . 1 1 66 66 ASP N N 66 121.200 121.200 121.592 -0.392 18154 1854 1 3 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.341 -0.081 18154 1855 1 3 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.285 1.345 18154 1856 1 3 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.887 -0.087 18154 1857 1 3 . 1 1 66 66 ASP H H 66 8.605 8.605 8.189 0.416 18154 1858 1 3 . 1 1 67 67 SER HA H 67 4.292 4.292 4.290 0.002 18154 1859 1 3 . 1 1 67 67 SER C C 67 175.650 175.650 175.139 0.511 18154 1860 1 3 . 1 1 67 67 SER CA C 67 60.500 60.500 60.328 0.172 18154 1861 1 3 . 1 1 67 67 SER CB C 67 63.530 63.530 63.850 -0.320 18154 1862 1 3 . 1 1 68 68 ILE N N 68 120.550 120.550 121.252 -0.702 18154 1863 1 3 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.434 0.676 18154 1864 1 3 . 1 1 68 68 ILE C C 68 174.713 174.713 176.565 -1.852 18154 1865 1 3 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.554 -0.154 18154 1866 1 3 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.281 3.959 18154 1867 1 3 . 1 1 68 68 ILE H H 68 7.870 7.870 7.626 0.244 18154 1868 1 3 . 1 1 69 69 VAL N N 69 125.740 125.740 123.433 2.307 18154 1869 1 3 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.646 0.099 18154 1870 1 3 . 1 1 69 69 VAL C C 69 174.500 174.500 174.970 -0.470 18154 1871 1 3 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.513 -0.963 18154 1872 1 3 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.355 0.775 18154 1873 1 3 . 1 1 69 69 VAL H H 69 7.428 7.428 8.149 -0.721 18154 1874 1 3 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.291 0.001 18154 1875 1 3 . 1 1 70 70 PRO C C 70 180.820 180.820 178.646 2.174 18154 1876 1 3 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.225 0.245 18154 1877 1 3 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.199 -0.542 18154 1878 1 3 . 1 1 71 71 LEU N N 71 119.467 119.467 119.835 -0.368 18154 1879 1 3 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.025 -0.180 18154 1880 1 3 . 1 1 71 71 LEU C C 71 176.489 176.489 178.112 -1.623 18154 1881 1 3 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.996 0.211 18154 1882 1 3 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.802 -0.316 18154 1883 1 3 . 1 1 71 71 LEU H H 71 7.918 7.918 7.625 0.293 18154 1884 1 3 . 1 1 72 72 PHE N N 72 119.361 119.361 119.571 -0.210 18154 1885 1 3 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.394 -0.249 18154 1886 1 3 . 1 1 72 72 PHE C C 72 175.968 175.968 177.141 -1.173 18154 1887 1 3 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.808 0.013 18154 1888 1 3 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.676 0.871 18154 1889 1 3 . 1 1 72 72 PHE H H 72 7.903 7.903 8.835 -0.932 18154 1890 1 3 . 1 1 73 73 GLN N N 73 116.100 116.100 117.278 -1.178 18154 1891 1 3 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.772 -0.245 18154 1892 1 3 . 1 1 73 73 GLN C C 73 177.871 177.871 178.722 -0.851 18154 1893 1 3 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.770 -0.631 18154 1894 1 3 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.080 0.067 18154 1895 1 3 . 1 1 73 73 GLN H H 73 9.042 9.042 8.700 0.342 18154 1896 1 3 . 1 1 74 74 GLY N N 74 107.110 107.110 108.369 -1.259 18154 1897 1 3 . 1 1 74 74 GLY C C 74 175.894 175.894 176.477 -0.583 18154 1898 1 3 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.941 0.339 18154 1899 1 3 . 1 1 74 74 GLY H H 74 8.045 8.045 8.235 -0.190 18154 1900 1 3 . 1 1 75 75 ILE N N 75 123.629 123.629 122.786 0.843 18154 1901 1 3 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.383 -0.333 18154 1902 1 3 . 1 1 75 75 ILE C C 75 178.622 178.622 177.123 1.499 18154 1903 1 3 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.863 0.394 18154 1904 1 3 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.467 0.501 18154 1905 1 3 . 1 1 75 75 ILE H H 75 8.174 8.174 8.153 0.021 18154 1906 1 3 . 1 1 76 76 LYS N N 76 119.363 119.363 118.611 0.752 18154 1907 1 3 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.765 -0.460 18154 1908 1 3 . 1 1 76 76 LYS C C 76 177.909 177.909 178.290 -0.381 18154 1909 1 3 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.254 0.451 18154 1910 1 3 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.896 0.454 18154 1911 1 3 . 1 1 76 76 LYS H H 76 7.600 7.600 7.499 0.101 18154 1912 1 3 . 1 1 77 77 ASP N N 77 115.190 115.190 118.291 -3.101 18154 1913 1 3 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.591 -0.109 18154 1914 1 3 . 1 1 77 77 ASP C C 77 178.825 178.825 178.456 0.369 18154 1915 1 3 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.161 0.118 18154 1916 1 3 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.828 -0.638 18154 1917 1 3 . 1 1 77 77 ASP H H 77 8.482 8.482 8.322 0.160 18154 1918 1 3 . 1 1 78 78 SER N N 78 112.576 112.576 116.070 -3.494 18154 1919 1 3 . 1 1 78 78 SER HA H 78 4.728 4.728 4.396 0.332 18154 1920 1 3 . 1 1 78 78 SER C C 78 174.556 174.556 174.963 -0.407 18154 1921 1 3 . 1 1 78 78 SER CA C 78 60.045 60.045 60.564 -0.519 18154 1922 1 3 . 1 1 78 78 SER CB C 78 64.643 64.643 63.883 0.760 18154 1923 1 3 . 1 1 78 78 SER H H 78 8.273 8.273 7.970 0.303 18154 1924 1 3 . 1 1 79 79 LEU N N 79 120.833 120.833 121.042 -0.209 18154 1925 1 3 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.411 0.404 18154 1926 1 3 . 1 1 79 79 LEU C C 79 176.251 176.251 178.780 -2.529 18154 1927 1 3 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.435 -2.475 18154 1928 1 3 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.395 -3.199 18154 1929 1 3 . 1 1 79 79 LEU H H 79 7.025 7.025 7.528 -0.503 18154 1930 1 3 . 1 1 80 80 GLY N N 80 108.861 108.861 106.882 1.979 18154 1931 1 3 . 1 1 80 80 GLY C C 80 173.623 173.623 173.706 -0.083 18154 1932 1 3 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.328 -0.099 18154 1933 1 3 . 1 1 80 80 GLY H H 80 7.499 7.499 8.152 -0.653 18154 1934 1 3 . 1 1 81 81 PHE N N 81 121.441 121.441 119.365 2.076 18154 1935 1 3 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.920 0.140 18154 1936 1 3 . 1 1 81 81 PHE C C 81 174.411 174.411 172.458 1.953 18154 1937 1 3 . 1 1 81 81 PHE CA C 81 57.211 57.211 56.815 0.396 18154 1938 1 3 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.925 -1.305 18154 1939 1 3 . 1 1 81 81 PHE H H 81 8.018 8.018 7.354 0.664 18154 1940 1 3 . 1 1 82 82 GLN N N 82 126.480 126.480 122.931 3.549 18154 1941 1 3 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.597 0.293 18154 1942 1 3 . 1 1 82 82 GLN C C 82 172.700 172.700 173.545 -0.845 18154 1943 1 3 . 1 1 82 82 GLN CA C 82 54.177 54.177 51.871 2.306 18154 1944 1 3 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.404 2.196 18154 1945 1 3 . 1 1 82 82 GLN H H 82 9.588 9.588 7.653 1.935 18154 1946 1 3 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.166 0.207 18154 1947 1 3 . 1 1 83 83 PRO C C 83 178.163 178.163 176.651 1.512 18154 1948 1 3 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.164 -0.473 18154 1949 1 3 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.486 -0.621 18154 1950 1 3 . 1 1 84 84 ASN N N 84 116.900 116.900 113.566 3.334 18154 1951 1 3 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.827 -0.058 18154 1952 1 3 . 1 1 84 84 ASN C C 84 173.332 173.332 173.732 -0.400 18154 1953 1 3 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.590 -0.030 18154 1954 1 3 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.498 -1.238 18154 1955 1 3 . 1 1 84 84 ASN H H 84 8.578 8.578 8.198 0.380 18154 1956 1 3 . 1 1 85 85 LEU N N 85 124.380 124.380 122.754 1.626 18154 1957 1 3 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.186 -0.140 18154 1958 1 3 . 1 1 85 85 LEU C C 85 175.880 175.880 175.870 0.010 18154 1959 1 3 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.805 1.037 18154 1960 1 3 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.194 -0.894 18154 1961 1 3 . 1 1 85 85 LEU H H 85 7.240 7.240 7.606 -0.366 18154 1962 1 3 . 1 1 86 86 ARG N N 86 128.715 128.715 123.468 5.247 18154 1963 1 3 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.654 0.140 18154 1964 1 3 . 1 1 86 86 ARG C C 86 175.554 175.554 175.581 -0.027 18154 1965 1 3 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.336 1.106 18154 1966 1 3 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.402 -0.529 18154 1967 1 3 . 1 1 86 86 ARG H H 86 7.732 7.732 7.805 -0.073 18154 1968 1 3 . 1 1 87 87 TYR N N 87 117.420 117.420 117.655 -0.235 18154 1969 1 3 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.862 0.903 18154 1970 1 3 . 1 1 87 87 TYR C C 87 172.931 172.931 173.596 -0.665 18154 1971 1 3 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.206 -0.945 18154 1972 1 3 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.609 3.329 18154 1973 1 3 . 1 1 87 87 TYR H H 87 8.783 8.783 8.175 0.608 18154 1974 1 3 . 1 1 88 88 GLY N N 88 107.765 107.765 105.190 2.575 18154 1975 1 3 . 1 1 88 88 GLY C C 88 172.621 172.621 171.384 1.237 18154 1976 1 3 . 1 1 88 88 GLY CA C 88 43.861 43.861 43.630 0.231 18154 1977 1 3 . 1 1 88 88 GLY H H 88 8.905 8.905 8.678 0.227 18154 1978 1 3 . 1 1 89 89 VAL N N 89 118.180 118.180 118.456 -0.276 18154 1979 1 3 . 1 1 89 89 VAL HA H 89 5.001 5.001 5.142 -0.141 18154 1980 1 3 . 1 1 89 89 VAL C C 89 172.939 172.939 173.017 -0.078 18154 1981 1 3 . 1 1 89 89 VAL CA C 89 60.999 60.999 59.224 1.776 18154 1982 1 3 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.371 1.027 18154 1983 1 3 . 1 1 89 89 VAL H H 89 7.499 7.499 8.396 -0.897 18154 1984 1 3 . 1 1 90 90 ILE N N 90 125.000 125.000 125.652 -0.652 18154 1985 1 3 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.115 0.012 18154 1986 1 3 . 1 1 90 90 ILE C C 90 173.099 173.099 173.696 -0.597 18154 1987 1 3 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.647 0.841 18154 1988 1 3 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.139 0.259 18154 1989 1 3 . 1 1 90 90 ILE H H 90 8.810 8.810 8.654 0.156 18154 1990 1 3 . 1 1 91 91 ALA N N 91 129.036 129.036 129.988 -0.952 18154 1991 1 3 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.367 -0.041 18154 1992 1 3 . 1 1 91 91 ALA C C 91 174.000 174.000 175.830 -1.830 18154 1993 1 3 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.746 -0.746 18154 1994 1 3 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.110 0.990 18154 1995 1 3 . 1 1 91 91 ALA H H 91 9.253 9.253 8.890 0.363 18154 1996 1 3 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.028 -0.097 18154 1997 1 3 . 1 1 92 92 LEU C C 92 177.366 177.366 176.525 0.841 18154 1998 1 3 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.265 0.652 18154 1999 1 3 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.296 -2.896 18154 2000 1 3 . 1 1 93 93 GLY N N 93 110.663 110.663 108.392 2.271 18154 2001 1 3 . 1 1 93 93 GLY C C 93 172.029 172.029 171.865 0.164 18154 2002 1 3 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.968 -0.238 18154 2003 1 3 . 1 1 93 93 GLY H H 93 8.687 8.687 8.757 -0.070 18154 2004 1 3 . 1 1 94 94 ASP N N 94 119.304 119.304 120.638 -1.334 18154 2005 1 3 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.498 -0.238 18154 2006 1 3 . 1 1 94 94 ASP C C 94 176.978 176.978 176.909 0.069 18154 2007 1 3 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.308 1.299 18154 2008 1 3 . 1 1 94 94 ASP CB C 94 43.000 43.000 42.352 0.647 18154 2009 1 3 . 1 1 94 94 ASP H H 94 8.129 8.129 8.390 -0.261 18154 2010 1 3 . 1 1 95 95 SER N N 95 123.897 123.897 122.651 1.246 18154 2011 1 3 . 1 1 95 95 SER HA H 95 3.895 3.895 4.324 -0.429 18154 2012 1 3 . 1 1 95 95 SER C C 95 175.243 175.243 175.153 0.090 18154 2013 1 3 . 1 1 95 95 SER CA C 95 60.183 60.183 59.067 1.116 18154 2014 1 3 . 1 1 95 95 SER CB C 95 61.700 61.700 62.654 -0.953 18154 2015 1 3 . 1 1 95 95 SER H H 95 8.878 8.878 9.411 -0.533 18154 2016 1 3 . 1 1 96 96 SER N N 96 119.248 119.248 116.427 2.821 18154 2017 1 3 . 1 1 96 96 SER HA H 96 4.209 4.209 4.232 -0.023 18154 2018 1 3 . 1 1 96 96 SER C C 96 173.900 173.900 175.282 -1.382 18154 2019 1 3 . 1 1 96 96 SER CA C 96 60.197 60.197 59.453 0.744 18154 2020 1 3 . 1 1 96 96 SER CB C 96 63.000 63.000 63.325 -0.325 18154 2021 1 3 . 1 1 96 96 SER H H 96 9.124 9.124 8.219 0.905 18154 2022 1 3 . 1 1 97 97 TYR N N 97 120.889 120.889 120.660 0.229 18154 2023 1 3 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.425 0.463 18154 2024 1 3 . 1 1 97 97 TYR C C 97 175.972 175.972 177.070 -1.098 18154 2025 1 3 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.798 -3.048 18154 2026 1 3 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.107 0.713 18154 2027 1 3 . 1 1 97 97 TYR H H 97 7.664 7.664 7.722 -0.058 18154 2028 1 3 . 1 1 98 98 VAL N N 98 116.952 116.952 120.072 -3.120 18154 2029 1 3 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.841 0.219 18154 2030 1 3 . 1 1 98 98 VAL C C 98 175.969 175.969 176.996 -1.027 18154 2031 1 3 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.149 -2.309 18154 2032 1 3 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.752 0.848 18154 2033 1 3 . 1 1 98 98 VAL H H 98 7.970 7.970 8.445 -0.475 18154 2034 1 3 . 1 1 99 99 ASN N N 99 118.156 118.156 119.233 -1.077 18154 2035 1 3 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.873 -0.362 18154 2036 1 3 . 1 1 99 99 ASN C C 99 174.329 174.329 173.975 0.354 18154 2037 1 3 . 1 1 99 99 ASN CA C 99 53.031 53.031 52.465 0.565 18154 2038 1 3 . 1 1 99 99 ASN CB C 99 37.238 37.238 37.171 0.067 18154 2039 1 3 . 1 1 99 99 ASN H H 99 8.296 8.296 8.399 -0.103 18154 2040 1 3 . 1 1 100 100 PHE N N 100 118.649 118.649 122.658 -4.009 18154 2041 1 3 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.364 0.051 18154 2042 1 3 . 1 1 100 100 PHE C C 100 174.400 174.400 175.682 -1.282 18154 2043 1 3 . 1 1 100 100 PHE CA C 100 58.190 58.190 60.062 -1.873 18154 2044 1 3 . 1 1 100 100 PHE CB C 100 39.679 39.679 39.719 -0.040 18154 2045 1 3 . 1 1 100 100 PHE H H 100 7.855 7.855 7.867 -0.012 18154 2046 1 3 . 1 1 101 101 CYS HA H 101 3.585 3.585 3.694 -0.109 18154 2047 1 3 . 1 1 101 101 CYS CA C 101 62.740 62.740 60.055 2.685 18154 2048 1 3 . 1 1 101 101 CYS CB C 101 26.000 26.000 25.574 0.426 18154 2049 1 3 . 1 1 101 101 CYS H H 101 9.240 9.240 8.549 0.691 18154 2050 1 3 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.328 -0.108 18154 2051 1 3 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.320 0.880 18154 2052 1 3 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.661 -0.061 18154 2053 1 3 . 1 1 102 102 ASN H H 102 8.300 8.300 7.985 0.315 18154 2054 1 3 . 1 1 103 103 GLY C C 103 175.690 175.690 175.740 -0.050 18154 2055 1 3 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.038 0.312 18154 2056 1 3 . 1 1 104 104 GLY N N 104 106.150 106.150 109.886 -3.736 18154 2057 1 3 . 1 1 104 104 GLY C C 104 174.570 174.570 176.213 -1.643 18154 2058 1 3 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.314 1.036 18154 2059 1 3 . 1 1 104 104 GLY H H 104 7.108 7.108 7.639 -0.531 18154 2060 1 3 . 1 1 105 105 LYS N N 105 120.732 120.732 122.514 -1.782 18154 2061 1 3 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.931 0.006 18154 2062 1 3 . 1 1 105 105 LYS C C 105 179.706 179.706 179.045 0.661 18154 2063 1 3 . 1 1 105 105 LYS CA C 105 60.308 60.308 60.080 0.228 18154 2064 1 3 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.234 -0.437 18154 2065 1 3 . 1 1 105 105 LYS H H 105 7.708 7.708 7.974 -0.266 18154 2066 1 3 . 1 1 106 106 GLN N N 106 119.087 119.087 118.415 0.672 18154 2067 1 3 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.128 0.014 18154 2068 1 3 . 1 1 106 106 GLN C C 106 179.418 179.418 178.682 0.736 18154 2069 1 3 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.452 0.423 18154 2070 1 3 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.200 0.559 18154 2071 1 3 . 1 1 106 106 GLN H H 106 8.738 8.738 8.397 0.341 18154 2072 1 3 . 1 1 107 107 PHE N N 107 123.088 123.088 120.780 2.308 18154 2073 1 3 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.349 -0.099 18154 2074 1 3 . 1 1 107 107 PHE C C 107 178.403 178.403 177.733 0.670 18154 2075 1 3 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.954 0.231 18154 2076 1 3 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.936 0.515 18154 2077 1 3 . 1 1 107 107 PHE H H 107 7.922 7.922 8.111 -0.189 18154 2078 1 3 . 1 1 108 108 ASP N N 108 117.118 117.118 120.421 -3.303 18154 2079 1 3 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.519 -0.145 18154 2080 1 3 . 1 1 108 108 ASP C C 108 176.973 176.973 178.339 -1.366 18154 2081 1 3 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.385 1.044 18154 2082 1 3 . 1 1 108 108 ASP CB C 108 44.123 44.123 40.886 3.237 18154 2083 1 3 . 1 1 108 108 ASP H H 108 8.305 8.305 8.339 -0.034 18154 2084 1 3 . 1 1 109 109 ALA N N 109 118.590 118.590 122.608 -4.018 18154 2085 1 3 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.003 0.047 18154 2086 1 3 . 1 1 109 109 ALA C C 109 180.430 180.430 179.410 1.020 18154 2087 1 3 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.269 -0.073 18154 2088 1 3 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.578 -0.471 18154 2089 1 3 . 1 1 109 109 ALA H H 109 8.332 8.332 8.155 0.177 18154 2090 1 3 . 1 1 110 110 LEU N N 110 120.402 120.402 119.546 0.856 18154 2091 1 3 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.795 0.290 18154 2092 1 3 . 1 1 110 110 LEU C C 110 177.801 177.801 178.863 -1.062 18154 2093 1 3 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.763 -0.123 18154 2094 1 3 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.584 1.172 18154 2095 1 3 . 1 1 110 110 LEU H H 110 7.868 7.868 8.081 -0.213 18154 2096 1 3 . 1 1 111 111 LEU N N 111 116.945 116.945 116.786 0.159 18154 2097 1 3 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.780 -0.062 18154 2098 1 3 . 1 1 111 111 LEU C C 111 179.838 179.838 179.317 0.521 18154 2099 1 3 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.425 0.540 18154 2100 1 3 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.071 -2.211 18154 2101 1 3 . 1 1 111 111 LEU H H 111 7.704 7.704 7.262 0.442 18154 2102 1 3 . 1 1 112 112 GLN N N 112 118.484 118.484 118.134 0.350 18154 2103 1 3 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.156 -0.015 18154 2104 1 3 . 1 1 112 112 GLN C C 112 181.218 181.218 178.501 2.717 18154 2105 1 3 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.814 1.152 18154 2106 1 3 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.047 1.213 18154 2107 1 3 . 1 1 112 112 GLN H H 112 8.441 8.441 7.882 0.559 18154 2108 1 3 . 1 1 113 113 GLU N N 113 122.905 122.905 117.567 5.338 18154 2109 1 3 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.092 0.089 18154 2110 1 3 . 1 1 113 113 GLU C C 113 178.001 178.001 177.748 0.253 18154 2111 1 3 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.982 1.003 18154 2112 1 3 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.411 -0.141 18154 2113 1 3 . 1 1 113 113 GLU H H 113 8.305 8.305 7.989 0.316 18154 2114 1 3 . 1 1 114 114 GLN N N 114 117.332 117.332 116.914 0.418 18154 2115 1 3 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.201 0.394 18154 2116 1 3 . 1 1 114 114 GLN C C 114 174.538 174.538 176.958 -2.420 18154 2117 1 3 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.747 -1.330 18154 2118 1 3 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.309 -4.479 18154 2119 1 3 . 1 1 114 114 GLN H H 114 7.520 7.520 7.484 0.036 18154 2120 1 3 . 1 1 115 115 SER N N 115 109.100 109.100 109.120 -0.020 18154 2121 1 3 . 1 1 115 115 SER HA H 115 4.200 4.200 4.538 -0.338 18154 2122 1 3 . 1 1 115 115 SER C C 115 172.302 172.302 173.526 -1.224 18154 2123 1 3 . 1 1 115 115 SER CA C 115 60.400 60.400 58.402 1.998 18154 2124 1 3 . 1 1 115 115 SER CB C 115 61.325 61.325 65.895 -4.570 18154 2125 1 3 . 1 1 115 115 SER H H 115 7.950 7.950 7.970 -0.020 18154 2126 1 3 . 1 1 116 116 ALA N N 116 121.059 121.059 125.801 -4.742 18154 2127 1 3 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.286 0.508 18154 2128 1 3 . 1 1 116 116 ALA C C 116 176.774 176.774 175.984 0.790 18154 2129 1 3 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.202 -0.512 18154 2130 1 3 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.736 0.629 18154 2131 1 3 . 1 1 116 116 ALA H H 116 7.813 7.813 8.127 -0.314 18154 2132 1 3 . 1 1 117 117 GLN N N 117 118.000 118.000 118.789 -0.789 18154 2133 1 3 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.688 -0.070 18154 2134 1 3 . 1 1 117 117 GLN C C 117 173.769 173.769 175.102 -1.333 18154 2135 1 3 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.389 0.167 18154 2136 1 3 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.570 -0.835 18154 2137 1 3 . 1 1 117 117 GLN H H 117 8.591 8.591 8.269 0.322 18154 2138 1 3 . 1 1 118 118 ARG N N 118 127.947 127.947 125.760 2.187 18154 2139 1 3 . 1 1 118 118 ARG HA H 118 3.308 3.308 3.280 0.028 18154 2140 1 3 . 1 1 118 118 ARG C C 118 176.758 176.758 176.191 0.567 18154 2141 1 3 . 1 1 118 118 ARG CA C 118 56.186 56.186 56.416 -0.230 18154 2142 1 3 . 1 1 118 118 ARG CB C 118 30.310 30.310 31.207 -0.898 18154 2143 1 3 . 1 1 118 118 ARG H H 118 8.659 8.659 8.861 -0.202 18154 2144 1 3 . 1 1 119 119 VAL N N 119 131.939 131.939 124.450 7.489 18154 2145 1 3 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.098 0.015 18154 2146 1 3 . 1 1 119 119 VAL C C 119 176.775 176.775 175.546 1.229 18154 2147 1 3 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.845 0.329 18154 2148 1 3 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.300 -0.906 18154 2149 1 3 . 1 1 119 119 VAL H H 119 9.520 9.520 8.447 1.073 18154 2150 1 3 . 1 1 120 120 GLY N N 120 116.074 116.074 107.049 9.025 18154 2151 1 3 . 1 1 120 120 GLY C C 120 172.757 172.757 174.649 -1.892 18154 2152 1 3 . 1 1 120 120 GLY CA C 120 43.898 43.898 44.869 -0.971 18154 2153 1 3 . 1 1 120 120 GLY H H 120 8.755 8.755 8.334 0.421 18154 2154 1 3 . 1 1 121 121 GLU N N 121 118.754 118.754 120.989 -2.235 18154 2155 1 3 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.305 0.361 18154 2156 1 3 . 1 1 121 121 GLU C C 121 177.419 177.419 177.119 0.300 18154 2157 1 3 . 1 1 121 121 GLU CA C 121 54.491 54.491 57.379 -2.888 18154 2158 1 3 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.100 1.398 18154 2159 1 3 . 1 1 121 121 GLU H H 121 8.594 8.594 8.668 -0.074 18154 2160 1 3 . 1 1 122 122 MET N N 122 122.642 122.642 120.923 1.719 18154 2161 1 3 . 1 1 122 122 MET HA H 122 4.415 4.415 4.808 -0.393 18154 2162 1 3 . 1 1 122 122 MET C C 122 175.351 175.351 175.334 0.017 18154 2163 1 3 . 1 1 122 122 MET CA C 122 57.024 57.024 54.684 2.340 18154 2164 1 3 . 1 1 122 122 MET CB C 122 34.210 34.210 33.304 0.906 18154 2165 1 3 . 1 1 122 122 MET H H 122 8.892 8.892 8.501 0.391 18154 2166 1 3 . 1 1 123 123 LEU N N 123 129.535 129.535 122.545 6.990 18154 2167 1 3 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.489 -0.139 18154 2168 1 3 . 1 1 123 123 LEU C C 123 173.124 173.124 174.159 -1.035 18154 2169 1 3 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.197 0.542 18154 2170 1 3 . 1 1 123 123 LEU CB C 123 41.078 41.078 43.096 -2.018 18154 2171 1 3 . 1 1 123 123 LEU H H 123 7.868 7.868 7.439 0.429 18154 2172 1 3 . 1 1 124 124 LEU N N 124 127.120 127.120 125.948 1.172 18154 2173 1 3 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.726 0.329 18154 2174 1 3 . 1 1 124 124 LEU C C 124 176.379 176.379 176.100 0.279 18154 2175 1 3 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.182 0.368 18154 2176 1 3 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.918 -1.540 18154 2177 1 3 . 1 1 124 124 LEU H H 124 8.346 8.346 8.225 0.121 18154 2178 1 3 . 1 1 125 125 ILE N N 125 124.337 124.337 124.862 -0.525 18154 2179 1 3 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.265 -0.085 18154 2180 1 3 . 1 1 125 125 ILE C C 125 174.303 174.303 174.755 -0.452 18154 2181 1 3 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.789 0.311 18154 2182 1 3 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.847 -0.904 18154 2183 1 3 . 1 1 125 125 ILE H H 125 8.974 8.974 8.492 0.482 18154 2184 1 3 . 1 1 126 126 ASP N N 126 127.113 127.113 128.192 -1.079 18154 2185 1 3 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.392 -0.277 18154 2186 1 3 . 1 1 126 126 ASP C C 126 176.766 176.766 176.459 0.307 18154 2187 1 3 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.429 -0.582 18154 2188 1 3 . 1 1 126 126 ASP CB C 126 41.100 41.100 41.693 -0.593 18154 2189 1 3 . 1 1 126 126 ASP H H 126 9.397 9.397 8.875 0.522 18154 2190 1 3 . 1 1 127 127 ALA N N 127 131.178 131.178 130.953 0.225 18154 2191 1 3 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.652 -0.336 18154 2192 1 3 . 1 1 127 127 ALA C C 127 178.530 178.530 178.689 -0.159 18154 2193 1 3 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.034 -0.187 18154 2194 1 3 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.192 -0.400 18154 2195 1 3 . 1 1 127 127 ALA H H 127 9.696 9.696 9.189 0.507 18154 2196 1 3 . 1 1 128 128 SER N N 128 112.064 112.064 113.493 -1.429 18154 2197 1 3 . 1 1 128 128 SER HA H 128 4.224 4.224 4.316 -0.092 18154 2198 1 3 . 1 1 128 128 SER C C 128 175.000 175.000 175.518 -0.518 18154 2199 1 3 . 1 1 128 128 SER CA C 128 61.246 61.246 60.151 1.095 18154 2200 1 3 . 1 1 128 128 SER CB C 128 63.310 63.310 63.561 -0.251 18154 2201 1 3 . 1 1 128 128 SER H H 128 8.373 8.373 8.248 0.125 18154 2202 1 3 . 1 1 129 129 GLU N N 129 119.468 119.468 120.848 -1.380 18154 2203 1 3 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.298 0.102 18154 2204 1 3 . 1 1 129 129 GLU C C 129 175.947 175.947 176.334 -0.387 18154 2205 1 3 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.793 -0.378 18154 2206 1 3 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.267 0.463 18154 2207 1 3 . 1 1 129 129 GLU H H 129 7.267 7.267 7.617 -0.350 18154 2208 1 3 . 1 1 130 130 ASN N N 130 115.968 115.968 117.144 -1.176 18154 2209 1 3 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.125 0.042 18154 2210 1 3 . 1 1 130 130 ASN C C 130 172.000 172.000 173.792 -1.792 18154 2211 1 3 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.897 -0.674 18154 2212 1 3 . 1 1 130 130 ASN CB C 130 39.666 39.666 40.232 -0.566 18154 2213 1 3 . 1 1 130 130 ASN H H 130 8.072 8.072 8.066 0.006 18154 2214 1 3 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.606 -0.056 18154 2215 1 3 . 1 1 131 131 PRO C C 131 176.400 176.400 176.013 0.387 18154 2216 1 3 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.281 0.219 18154 2217 1 3 . 1 1 131 131 PRO CB C 131 32.300 32.300 32.115 0.185 18154 2218 1 3 . 1 1 132 132 GLU N N 132 119.000 119.000 118.601 0.399 18154 2219 1 3 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.918 0.102 18154 2220 1 3 . 1 1 132 132 GLU C C 132 174.200 174.200 175.491 -1.291 18154 2221 1 3 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.273 -0.273 18154 2222 1 3 . 1 1 132 132 GLU CB C 132 29.700 29.700 28.772 0.928 18154 2223 1 3 . 1 1 132 132 GLU H H 132 7.690 7.690 8.230 -0.540 18154 2224 1 3 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.229 -0.229 18154 2225 1 3 . 1 1 133 133 PRO C C 133 177.391 177.391 178.058 -0.667 18154 2226 1 3 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.250 0.219 18154 2227 1 3 . 1 1 133 133 PRO CB C 133 32.145 32.145 32.010 0.135 18154 2228 1 3 . 1 1 134 134 GLU N N 134 122.846 122.846 118.177 4.669 18154 2229 1 3 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.216 1.004 18154 2230 1 3 . 1 1 134 134 GLU C C 134 178.385 178.385 178.728 -0.343 18154 2231 1 3 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.427 -1.835 18154 2232 1 3 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.198 -1.608 18154 2233 1 3 . 1 1 134 134 GLU H H 134 10.707 10.707 8.942 1.765 18154 2234 1 3 . 1 1 135 135 THR N N 135 113.016 113.016 110.172 2.844 18154 2235 1 3 . 1 1 135 135 THR HA H 135 4.182 4.182 4.224 -0.042 18154 2236 1 3 . 1 1 135 135 THR C C 135 176.460 176.460 175.951 0.509 18154 2237 1 3 . 1 1 135 135 THR CA C 135 64.752 64.752 64.905 -0.153 18154 2238 1 3 . 1 1 135 135 THR CB C 135 69.248 69.248 68.969 0.279 18154 2239 1 3 . 1 1 135 135 THR H H 135 8.168 8.168 8.095 0.073 18154 2240 1 3 . 1 1 136 136 GLU N N 136 118.978 118.978 121.510 -2.532 18154 2241 1 3 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.507 0.057 18154 2242 1 3 . 1 1 136 136 GLU C C 136 178.370 178.370 178.644 -0.274 18154 2243 1 3 . 1 1 136 136 GLU CA C 136 56.913 56.913 57.937 -1.024 18154 2244 1 3 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.829 1.270 18154 2245 1 3 . 1 1 136 136 GLU H H 136 7.680 7.680 7.636 0.044 18154 2246 1 3 . 1 1 137 137 SER N N 137 116.501 116.501 116.076 0.425 18154 2247 1 3 . 1 1 137 137 SER HA H 137 4.033 4.033 4.207 -0.174 18154 2248 1 3 . 1 1 137 137 SER C C 137 175.670 175.670 176.644 -0.974 18154 2249 1 3 . 1 1 137 137 SER CA C 137 62.330 62.330 62.146 0.184 18154 2250 1 3 . 1 1 137 137 SER CB C 137 61.380 61.380 62.972 -1.593 18154 2251 1 3 . 1 1 137 137 SER H H 137 8.824 8.824 8.457 0.367 18154 2252 1 3 . 1 1 138 138 ASN N N 138 123.517 123.517 121.175 2.342 18154 2253 1 3 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.748 -0.157 18154 2254 1 3 . 1 1 138 138 ASN C C 138 175.700 175.700 175.350 0.350 18154 2255 1 3 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.774 -0.288 18154 2256 1 3 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.089 -2.836 18154 2257 1 3 . 1 1 138 138 ASN H H 138 8.564 8.564 8.193 0.371 18154 2258 1 3 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.334 0.121 18154 2259 1 3 . 1 1 139 139 PRO C C 139 180.033 180.033 178.424 1.609 18154 2260 1 3 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.185 0.425 18154 2261 1 3 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.306 -0.770 18154 2262 1 3 . 1 1 140 140 TRP N N 140 119.700 119.700 121.811 -2.111 18154 2263 1 3 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.405 -0.072 18154 2264 1 3 . 1 1 140 140 TRP C C 140 179.195 179.195 177.887 1.308 18154 2265 1 3 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.817 0.363 18154 2266 1 3 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.528 1.223 18154 2267 1 3 . 1 1 140 140 TRP H H 140 7.057 7.057 7.703 -0.646 18154 2268 1 3 . 1 1 141 141 VAL N N 141 122.879 122.879 119.422 3.457 18154 2269 1 3 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.707 0.029 18154 2270 1 3 . 1 1 141 141 VAL C C 141 177.416 177.416 178.271 -0.855 18154 2271 1 3 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.627 -0.911 18154 2272 1 3 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.589 -0.157 18154 2273 1 3 . 1 1 141 141 VAL H H 141 9.629 9.629 8.646 0.983 18154 2274 1 3 . 1 1 142 142 GLU N N 142 119.965 119.965 119.759 0.206 18154 2275 1 3 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.863 -0.131 18154 2276 1 3 . 1 1 142 142 GLU C C 142 178.800 178.800 178.904 -0.104 18154 2277 1 3 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.985 -0.653 18154 2278 1 3 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.665 -0.105 18154 2279 1 3 . 1 1 142 142 GLU H H 142 8.551 8.551 8.327 0.224 18154 2280 1 3 . 1 1 143 143 GLN N N 143 115.364 115.364 118.916 -3.552 18154 2281 1 3 . 1 1 143 143 GLN HA H 143 4.290 4.290 3.970 0.320 18154 2282 1 3 . 1 1 143 143 GLN C C 143 177.840 177.840 178.081 -0.241 18154 2283 1 3 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.526 0.837 18154 2284 1 3 . 1 1 143 143 GLN CB C 143 29.362 29.362 28.722 0.640 18154 2285 1 3 . 1 1 143 143 GLN H H 143 7.380 7.380 7.745 -0.365 18154 2286 1 3 . 1 1 144 144 TRP N N 144 126.680 126.680 122.442 4.238 18154 2287 1 3 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.945 -0.611 18154 2288 1 3 . 1 1 144 144 TRP C C 144 178.200 178.200 178.517 -0.317 18154 2289 1 3 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.638 2.322 18154 2290 1 3 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.277 0.248 18154 2291 1 3 . 1 1 144 144 TRP H H 144 9.215 9.215 8.567 0.648 18154 2292 1 3 . 1 1 145 145 GLY N N 145 100.130 100.130 105.666 -5.536 18154 2293 1 3 . 1 1 145 145 GLY C C 145 177.391 177.391 174.913 2.478 18154 2294 1 3 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.074 -0.314 18154 2295 1 3 . 1 1 145 145 GLY H H 145 8.834 8.834 8.697 0.137 18154 2296 1 3 . 1 1 146 146 THR N N 146 110.831 110.831 112.642 -1.811 18154 2297 1 3 . 1 1 146 146 THR HA H 146 4.319 4.319 4.118 0.201 18154 2298 1 3 . 1 1 146 146 THR C C 146 175.574 175.574 175.737 -0.163 18154 2299 1 3 . 1 1 146 146 THR CA C 146 63.260 63.260 64.034 -0.774 18154 2300 1 3 . 1 1 146 146 THR CB C 146 69.660 69.660 68.795 0.865 18154 2301 1 3 . 1 1 146 146 THR H H 146 7.594 7.594 7.568 0.026 18154 2302 1 3 . 1 1 147 147 LEU N N 147 120.678 120.678 120.408 0.270 18154 2303 1 3 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.195 -0.137 18154 2304 1 3 . 1 1 147 147 LEU C C 147 177.176 177.176 176.825 0.351 18154 2305 1 3 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.290 -0.976 18154 2306 1 3 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.421 -0.193 18154 2307 1 3 . 1 1 147 147 LEU H H 147 7.458 7.458 7.549 -0.091 18154 2308 1 3 . 1 1 148 148 LEU N N 148 117.062 117.062 118.187 -1.125 18154 2309 1 3 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.671 0.047 18154 2310 1 3 . 1 1 148 148 LEU C C 148 175.570 175.570 176.493 -0.923 18154 2311 1 3 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.397 -0.446 18154 2312 1 3 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.141 -1.541 18154 2313 1 3 . 1 1 148 148 LEU H H 148 6.482 6.482 6.759 -0.277 18154 2314 1 4 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.641 -0.412 18154 2315 1 4 . 1 1 2 2 ALA C C 2 173.315 173.315 175.912 -2.597 18154 2316 1 4 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.406 0.174 18154 2317 1 4 . 1 1 2 2 ALA CB C 2 20.223 20.223 19.990 0.233 18154 2318 1 4 . 1 1 3 3 GLU N N 3 121.874 121.874 119.880 1.994 18154 2319 1 4 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.529 -0.255 18154 2320 1 4 . 1 1 3 3 GLU C C 3 174.545 174.545 175.563 -1.018 18154 2321 1 4 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.498 0.352 18154 2322 1 4 . 1 1 3 3 GLU CB C 3 31.720 31.720 31.910 -0.190 18154 2323 1 4 . 1 1 3 3 GLU H H 3 8.696 8.696 8.781 -0.085 18154 2324 1 4 . 1 1 4 4 ILE N N 4 120.672 120.672 125.164 -4.492 18154 2325 1 4 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.639 0.469 18154 2326 1 4 . 1 1 4 4 ILE C C 4 175.463 175.463 174.675 0.788 18154 2327 1 4 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.001 -0.168 18154 2328 1 4 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.770 2.900 18154 2329 1 4 . 1 1 4 4 ILE H H 4 8.860 8.860 9.126 -0.266 18154 2330 1 4 . 1 1 5 5 GLY N N 5 119.310 119.310 114.167 5.143 18154 2331 1 4 . 1 1 5 5 GLY C C 5 171.260 171.260 172.705 -1.445 18154 2332 1 4 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.173 0.647 18154 2333 1 4 . 1 1 5 5 GLY H H 5 8.469 8.469 7.994 0.475 18154 2334 1 4 . 1 1 6 6 ILE N N 6 126.915 126.915 125.856 1.059 18154 2335 1 4 . 1 1 6 6 ILE HA H 6 5.190 5.190 4.914 0.276 18154 2336 1 4 . 1 1 6 6 ILE C C 6 173.901 173.901 174.368 -0.467 18154 2337 1 4 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.592 -0.592 18154 2338 1 4 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.601 -1.601 18154 2339 1 4 . 1 1 6 6 ILE H H 6 9.056 9.056 9.048 0.008 18154 2340 1 4 . 1 1 7 7 PHE N N 7 127.354 127.354 127.305 0.049 18154 2341 1 4 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.208 -0.696 18154 2342 1 4 . 1 1 7 7 PHE C C 7 174.230 174.230 174.828 -0.598 18154 2343 1 4 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.530 1.880 18154 2344 1 4 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.668 1.060 18154 2345 1 4 . 1 1 7 7 PHE H H 7 8.960 8.960 9.387 -0.427 18154 2346 1 4 . 1 1 8 8 VAL HA H 8 5.060 5.060 4.972 0.088 18154 2347 1 4 . 1 1 8 8 VAL C C 8 175.450 175.450 175.975 -0.525 18154 2348 1 4 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.230 0.970 18154 2349 1 4 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.194 0.243 18154 2350 1 4 . 1 1 9 9 GLY N N 9 115.000 115.000 118.439 -3.439 18154 2351 1 4 . 1 1 9 9 GLY C C 9 173.150 173.150 172.707 0.443 18154 2352 1 4 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.575 0.425 18154 2353 1 4 . 1 1 9 9 GLY H H 9 9.393 9.393 9.037 0.356 18154 2354 1 4 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.648 0.047 18154 2355 1 4 . 1 1 12 12 TYR C C 12 176.560 176.560 176.191 0.369 18154 2356 1 4 . 1 1 12 12 TYR CA C 12 57.750 57.750 56.971 0.779 18154 2357 1 4 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.222 -0.222 18154 2358 1 4 . 1 1 13 13 GLY N N 13 109.870 109.870 109.059 0.811 18154 2359 1 4 . 1 1 13 13 GLY C C 13 175.930 175.930 175.079 0.851 18154 2360 1 4 . 1 1 13 13 GLY CA C 13 46.000 46.000 45.234 0.766 18154 2361 1 4 . 1 1 13 13 GLY H H 13 8.500 8.500 8.300 0.200 18154 2362 1 4 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.105 0.125 18154 2363 1 4 . 1 1 17 17 LEU C C 17 179.210 179.210 178.371 0.839 18154 2364 1 4 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.748 0.652 18154 2365 1 4 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.246 0.054 18154 2366 1 4 . 1 1 18 18 VAL N N 18 117.231 117.231 117.335 -0.104 18154 2367 1 4 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.631 -0.308 18154 2368 1 4 . 1 1 18 18 VAL C C 18 178.460 178.460 177.998 0.462 18154 2369 1 4 . 1 1 18 18 VAL CA C 18 66.866 66.866 65.742 1.124 18154 2370 1 4 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.591 0.869 18154 2371 1 4 . 1 1 18 18 VAL H H 18 7.645 7.645 7.864 -0.219 18154 2372 1 4 . 1 1 19 19 ALA N N 19 121.820 121.820 121.973 -0.153 18154 2373 1 4 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.968 -0.152 18154 2374 1 4 . 1 1 19 19 ALA C C 19 178.180 178.180 179.389 -1.209 18154 2375 1 4 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.688 -0.112 18154 2376 1 4 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.108 1.892 18154 2377 1 4 . 1 1 19 19 ALA H H 19 8.010 8.010 8.193 -0.183 18154 2378 1 4 . 1 1 20 20 GLU N N 20 118.960 118.960 118.568 0.392 18154 2379 1 4 . 1 1 20 20 GLU HA H 20 4.016 4.016 3.990 0.026 18154 2380 1 4 . 1 1 20 20 GLU C C 20 180.950 180.950 179.360 1.590 18154 2381 1 4 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.114 0.552 18154 2382 1 4 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.289 0.011 18154 2383 1 4 . 1 1 20 20 GLU H H 20 8.700 8.700 7.906 0.794 18154 2384 1 4 . 1 1 21 21 GLU N N 21 121.371 121.371 119.427 1.944 18154 2385 1 4 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.088 -0.044 18154 2386 1 4 . 1 1 21 21 GLU C C 21 179.419 179.419 178.792 0.627 18154 2387 1 4 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.114 0.197 18154 2388 1 4 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.292 0.269 18154 2389 1 4 . 1 1 21 21 GLU H H 21 8.632 8.632 8.040 0.592 18154 2390 1 4 . 1 1 22 22 ALA N N 22 121.329 121.329 122.954 -1.625 18154 2391 1 4 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.047 0.011 18154 2392 1 4 . 1 1 22 22 ALA C C 22 178.823 178.823 179.405 -0.582 18154 2393 1 4 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.647 -0.970 18154 2394 1 4 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.059 -0.416 18154 2395 1 4 . 1 1 22 22 ALA H H 22 8.182 8.182 8.583 -0.401 18154 2396 1 4 . 1 1 23 23 GLU N N 23 119.035 119.035 119.567 -0.532 18154 2397 1 4 . 1 1 23 23 GLU HA H 23 3.404 3.404 3.995 -0.591 18154 2398 1 4 . 1 1 23 23 GLU C C 23 178.375 178.375 178.299 0.076 18154 2399 1 4 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.808 0.500 18154 2400 1 4 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.550 -0.620 18154 2401 1 4 . 1 1 23 23 GLU H H 23 8.387 8.387 8.406 -0.019 18154 2402 1 4 . 1 1 24 24 ALA N N 24 122.207 122.207 122.002 0.205 18154 2403 1 4 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.092 -0.062 18154 2404 1 4 . 1 1 24 24 ALA C C 24 181.132 181.132 180.079 1.053 18154 2405 1 4 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.039 0.448 18154 2406 1 4 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.562 -0.562 18154 2407 1 4 . 1 1 24 24 ALA H H 24 7.535 7.535 7.928 -0.393 18154 2408 1 4 . 1 1 25 25 ILE N N 25 121.059 121.059 120.030 1.029 18154 2409 1 4 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.687 -0.023 18154 2410 1 4 . 1 1 25 25 ILE C C 25 178.419 178.419 177.872 0.547 18154 2411 1 4 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.021 -0.913 18154 2412 1 4 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.094 0.869 18154 2413 1 4 . 1 1 25 25 ILE H H 25 7.800 7.800 8.548 -0.748 18154 2414 1 4 . 1 1 26 26 LEU N N 26 119.307 119.307 120.630 -1.323 18154 2415 1 4 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.078 0.098 18154 2416 1 4 . 1 1 26 26 LEU C C 26 179.863 179.863 179.714 0.149 18154 2417 1 4 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.356 -0.410 18154 2418 1 4 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.226 -0.086 18154 2419 1 4 . 1 1 26 26 LEU H H 26 8.509 8.509 8.434 0.075 18154 2420 1 4 . 1 1 27 27 THR N N 27 117.830 117.830 115.419 2.411 18154 2421 1 4 . 1 1 27 27 THR HA H 27 4.524 4.524 4.339 0.185 18154 2422 1 4 . 1 1 27 27 THR C C 27 179.027 179.027 176.341 2.686 18154 2423 1 4 . 1 1 27 27 THR CA C 27 66.000 66.000 66.579 -0.579 18154 2424 1 4 . 1 1 27 27 THR CB C 27 68.600 68.600 68.629 -0.029 18154 2425 1 4 . 1 1 27 27 THR H H 27 8.796 8.796 8.659 0.137 18154 2426 1 4 . 1 1 28 28 ALA N N 28 126.313 126.313 122.658 3.655 18154 2427 1 4 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.184 0.021 18154 2428 1 4 . 1 1 28 28 ALA C C 28 179.360 179.360 179.406 -0.046 18154 2429 1 4 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.108 0.893 18154 2430 1 4 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.171 -0.521 18154 2431 1 4 . 1 1 28 28 ALA H H 28 7.832 7.832 7.794 0.038 18154 2432 1 4 . 1 1 29 29 GLN N N 29 115.527 115.527 116.658 -1.131 18154 2433 1 4 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.101 0.026 18154 2434 1 4 . 1 1 29 29 GLN C C 29 176.547 176.547 177.019 -0.472 18154 2435 1 4 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.369 -0.806 18154 2436 1 4 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.654 -0.244 18154 2437 1 4 . 1 1 29 29 GLN H H 29 7.353 7.353 8.131 -0.778 18154 2438 1 4 . 1 1 30 30 GLY N N 30 105.961 105.961 103.590 2.371 18154 2439 1 4 . 1 1 30 30 GLY C C 30 174.785 174.785 174.203 0.582 18154 2440 1 4 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.598 -0.098 18154 2441 1 4 . 1 1 30 30 GLY H H 30 7.923 7.923 7.607 0.316 18154 2442 1 4 . 1 1 31 31 HIS N N 31 119.471 119.471 119.388 0.083 18154 2443 1 4 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.613 0.222 18154 2444 1 4 . 1 1 31 31 HIS C C 31 174.665 174.665 174.262 0.403 18154 2445 1 4 . 1 1 31 31 HIS CA C 31 55.842 55.842 55.849 -0.007 18154 2446 1 4 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.273 0.727 18154 2447 1 4 . 1 1 31 31 HIS H H 31 7.558 7.558 8.092 -0.534 18154 2448 1 4 . 1 1 32 32 LYS N N 32 121.854 121.854 120.980 0.874 18154 2449 1 4 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.623 0.100 18154 2450 1 4 . 1 1 32 32 LYS C C 32 174.466 174.466 174.366 0.100 18154 2451 1 4 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.507 0.358 18154 2452 1 4 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.624 0.336 18154 2453 1 4 . 1 1 32 32 LYS H H 32 8.665 8.665 8.734 -0.069 18154 2454 1 4 . 1 1 33 33 ALA N N 33 130.188 130.188 130.215 -0.027 18154 2455 1 4 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.609 0.209 18154 2456 1 4 . 1 1 33 33 ALA C C 33 175.567 175.567 176.146 -0.579 18154 2457 1 4 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.293 -0.317 18154 2458 1 4 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.779 0.518 18154 2459 1 4 . 1 1 33 33 ALA H H 33 8.837 8.837 8.570 0.267 18154 2460 1 4 . 1 1 34 34 THR N N 34 117.164 117.164 116.537 0.627 18154 2461 1 4 . 1 1 34 34 THR HA H 34 4.359 4.359 4.583 -0.224 18154 2462 1 4 . 1 1 34 34 THR C C 34 171.315 171.315 172.759 -1.444 18154 2463 1 4 . 1 1 34 34 THR CA C 34 61.840 61.840 61.374 0.466 18154 2464 1 4 . 1 1 34 34 THR CB C 34 71.800 71.800 72.344 -0.544 18154 2465 1 4 . 1 1 34 34 THR H H 34 7.826 7.826 8.851 -1.025 18154 2466 1 4 . 1 1 35 35 VAL N N 35 126.650 126.650 122.716 3.934 18154 2467 1 4 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.468 -0.285 18154 2468 1 4 . 1 1 35 35 VAL C C 35 174.675 174.675 175.037 -0.362 18154 2469 1 4 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.764 0.164 18154 2470 1 4 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.932 -0.282 18154 2471 1 4 . 1 1 35 35 VAL H H 35 8.496 8.496 8.262 0.234 18154 2472 1 4 . 1 1 36 36 PHE N N 36 127.630 127.630 126.486 1.144 18154 2473 1 4 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.731 -0.180 18154 2474 1 4 . 1 1 36 36 PHE C C 36 174.347 174.347 174.372 -0.025 18154 2475 1 4 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.605 0.877 18154 2476 1 4 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.782 -0.617 18154 2477 1 4 . 1 1 36 36 PHE H H 36 9.164 9.164 9.164 0.000 18154 2478 1 4 . 1 1 37 37 GLU N N 37 123.516 123.516 124.081 -0.565 18154 2479 1 4 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.484 -0.014 18154 2480 1 4 . 1 1 37 37 GLU C C 37 175.954 175.954 175.917 0.037 18154 2481 1 4 . 1 1 37 37 GLU CA C 37 55.719 55.719 55.918 -0.199 18154 2482 1 4 . 1 1 37 37 GLU CB C 37 31.460 31.460 31.273 0.187 18154 2483 1 4 . 1 1 37 37 GLU H H 37 8.455 8.455 8.608 -0.153 18154 2484 1 4 . 1 1 38 38 ASP N N 38 120.395 120.395 122.210 -1.815 18154 2485 1 4 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.428 0.405 18154 2486 1 4 . 1 1 38 38 ASP C C 38 173.920 173.920 174.514 -0.594 18154 2487 1 4 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.055 0.422 18154 2488 1 4 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.472 0.132 18154 2489 1 4 . 1 1 38 38 ASP H H 38 9.602 9.602 8.725 0.877 18154 2490 1 4 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.526 0.154 18154 2491 1 4 . 1 1 39 39 PRO C C 39 176.274 176.274 176.398 -0.124 18154 2492 1 4 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.741 -0.757 18154 2493 1 4 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.755 1.645 18154 2494 1 4 . 1 1 40 40 GLU N N 40 119.026 119.026 122.996 -3.970 18154 2495 1 4 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.462 0.266 18154 2496 1 4 . 1 1 40 40 GLU C C 40 177.827 177.827 177.099 0.728 18154 2497 1 4 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.251 -1.281 18154 2498 1 4 . 1 1 40 40 GLU CB C 40 33.400 33.400 30.986 2.414 18154 2499 1 4 . 1 1 40 40 GLU H H 40 9.178 9.178 8.722 0.456 18154 2500 1 4 . 1 1 41 41 LEU N N 41 123.708 123.708 124.981 -1.273 18154 2501 1 4 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.145 -0.251 18154 2502 1 4 . 1 1 41 41 LEU C C 41 178.730 178.730 178.176 0.554 18154 2503 1 4 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.790 0.617 18154 2504 1 4 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.809 -0.156 18154 2505 1 4 . 1 1 41 41 LEU H H 41 9.160 9.160 8.820 0.340 18154 2506 1 4 . 1 1 42 42 SER N N 42 110.500 110.500 114.367 -3.867 18154 2507 1 4 . 1 1 42 42 SER HA H 42 4.010 4.010 4.276 -0.266 18154 2508 1 4 . 1 1 42 42 SER C C 42 176.300 176.300 175.041 1.259 18154 2509 1 4 . 1 1 42 42 SER CA C 42 61.600 61.600 60.753 0.847 18154 2510 1 4 . 1 1 42 42 SER CB C 42 62.140 62.140 62.784 -0.644 18154 2511 1 4 . 1 1 42 42 SER H H 42 8.415 8.415 8.558 -0.143 18154 2512 1 4 . 1 1 43 43 ASP N N 43 119.770 119.770 120.553 -0.783 18154 2513 1 4 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.710 -0.253 18154 2514 1 4 . 1 1 43 43 ASP C C 43 176.150 176.150 176.147 0.003 18154 2515 1 4 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.204 1.546 18154 2516 1 4 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.115 1.585 18154 2517 1 4 . 1 1 43 43 ASP H H 43 7.690 7.690 7.890 -0.200 18154 2518 1 4 . 1 1 44 44 TRP N N 44 118.500 118.500 121.327 -2.827 18154 2519 1 4 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.310 -0.100 18154 2520 1 4 . 1 1 44 44 TRP C C 44 177.150 177.150 177.451 -0.301 18154 2521 1 4 . 1 1 44 44 TRP CA C 44 59.387 59.387 59.390 -0.003 18154 2522 1 4 . 1 1 44 44 TRP CB C 44 30.310 30.310 29.740 0.570 18154 2523 1 4 . 1 1 44 44 TRP H H 44 7.464 7.464 7.251 0.213 18154 2524 1 4 . 1 1 45 45 LEU N N 45 114.100 114.100 120.649 -6.549 18154 2525 1 4 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.041 0.134 18154 2526 1 4 . 1 1 45 45 LEU C C 45 176.300 176.300 175.602 0.698 18154 2527 1 4 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.200 -0.640 18154 2528 1 4 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.454 -0.234 18154 2529 1 4 . 1 1 45 45 LEU H H 45 7.550 7.550 8.374 -0.824 18154 2530 1 4 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.173 0.207 18154 2531 1 4 . 1 1 46 46 PRO C C 46 176.799 176.799 177.250 -0.451 18154 2532 1 4 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.541 0.746 18154 2533 1 4 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.127 0.473 18154 2534 1 4 . 1 1 47 47 TYR N N 47 113.790 113.790 115.395 -1.605 18154 2535 1 4 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.626 -0.506 18154 2536 1 4 . 1 1 47 47 TYR C C 47 175.730 175.730 178.053 -2.323 18154 2537 1 4 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.150 2.050 18154 2538 1 4 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.297 0.719 18154 2539 1 4 . 1 1 47 47 TYR H H 47 8.291 8.291 8.082 0.209 18154 2540 1 4 . 1 1 48 48 GLN N N 48 116.524 116.524 120.450 -3.926 18154 2541 1 4 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.978 -0.093 18154 2542 1 4 . 1 1 48 48 GLN C C 48 174.381 174.381 176.167 -1.786 18154 2543 1 4 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.721 0.105 18154 2544 1 4 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.726 2.274 18154 2545 1 4 . 1 1 48 48 GLN H H 48 7.300 7.300 7.478 -0.178 18154 2546 1 4 . 1 1 49 49 ASP N N 49 114.657 114.657 113.616 1.041 18154 2547 1 4 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.633 0.054 18154 2548 1 4 . 1 1 49 49 ASP C C 49 176.307 176.307 175.690 0.617 18154 2549 1 4 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.873 -2.138 18154 2550 1 4 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.193 -0.993 18154 2551 1 4 . 1 1 49 49 ASP H H 49 7.854 7.854 8.506 -0.652 18154 2552 1 4 . 1 1 50 50 LYS N N 50 123.514 123.514 117.624 5.890 18154 2553 1 4 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.330 0.260 18154 2554 1 4 . 1 1 50 50 LYS C C 50 172.964 172.964 175.038 -2.074 18154 2555 1 4 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.457 -0.764 18154 2556 1 4 . 1 1 50 50 LYS CB C 50 33.355 33.355 35.000 -1.645 18154 2557 1 4 . 1 1 50 50 LYS H H 50 7.833 7.833 7.489 0.344 18154 2558 1 4 . 1 1 51 51 TYR N N 51 118.375 118.375 115.437 2.938 18154 2559 1 4 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.713 0.342 18154 2560 1 4 . 1 1 51 51 TYR C C 51 175.875 175.875 175.769 0.106 18154 2561 1 4 . 1 1 51 51 TYR CA C 51 56.421 56.421 56.294 0.127 18154 2562 1 4 . 1 1 51 51 TYR CB C 51 42.477 42.477 42.462 0.015 18154 2563 1 4 . 1 1 51 51 TYR H H 51 7.745 7.745 8.268 -0.523 18154 2564 1 4 . 1 1 52 52 VAL N N 52 112.527 112.527 115.799 -3.272 18154 2565 1 4 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.994 0.506 18154 2566 1 4 . 1 1 52 52 VAL C C 52 173.910 173.910 174.017 -0.107 18154 2567 1 4 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.291 -1.595 18154 2568 1 4 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.260 1.232 18154 2569 1 4 . 1 1 52 52 VAL H H 52 8.673 8.673 8.334 0.339 18154 2570 1 4 . 1 1 53 53 LEU N N 53 124.294 124.294 125.138 -0.844 18154 2571 1 4 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.192 -0.292 18154 2572 1 4 . 1 1 53 53 LEU C C 53 175.070 175.070 174.431 0.639 18154 2573 1 4 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.469 -0.903 18154 2574 1 4 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.639 -1.409 18154 2575 1 4 . 1 1 53 53 LEU H H 53 9.137 9.137 9.092 0.045 18154 2576 1 4 . 1 1 54 54 VAL N N 54 127.850 127.850 126.368 1.482 18154 2577 1 4 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.791 -0.281 18154 2578 1 4 . 1 1 54 54 VAL C C 54 174.030 174.030 174.619 -0.589 18154 2579 1 4 . 1 1 54 54 VAL CA C 54 61.825 61.825 60.122 1.703 18154 2580 1 4 . 1 1 54 54 VAL CB C 54 32.691 32.691 32.651 0.040 18154 2581 1 4 . 1 1 54 54 VAL H H 54 8.619 8.619 8.957 -0.338 18154 2582 1 4 . 1 1 55 55 VAL N N 55 127.181 127.181 128.117 -0.936 18154 2583 1 4 . 1 1 55 55 VAL HA H 55 5.085 5.085 5.005 0.080 18154 2584 1 4 . 1 1 55 55 VAL C C 55 174.942 174.942 174.705 0.237 18154 2585 1 4 . 1 1 55 55 VAL CA C 55 60.069 60.069 61.119 -1.050 18154 2586 1 4 . 1 1 55 55 VAL CB C 55 33.222 33.222 34.462 -1.240 18154 2587 1 4 . 1 1 55 55 VAL H H 55 8.578 8.578 8.752 -0.174 18154 2588 1 4 . 1 1 56 56 THR N N 56 117.420 117.420 120.609 -3.189 18154 2589 1 4 . 1 1 56 56 THR HA H 56 5.590 5.590 5.094 0.496 18154 2590 1 4 . 1 1 56 56 THR C C 56 172.640 172.640 173.175 -0.535 18154 2591 1 4 . 1 1 56 56 THR CA C 56 59.359 59.359 60.852 -1.493 18154 2592 1 4 . 1 1 56 56 THR CB C 56 70.715 70.715 70.375 0.340 18154 2593 1 4 . 1 1 56 56 THR H H 56 8.710 8.710 8.791 -0.081 18154 2594 1 4 . 1 1 57 57 SER HA H 57 5.250 5.250 5.058 0.192 18154 2595 1 4 . 1 1 57 57 SER CA C 57 57.730 57.730 58.108 -0.378 18154 2596 1 4 . 1 1 57 57 SER CB C 57 64.500 64.500 64.963 -0.463 18154 2597 1 4 . 1 1 57 57 SER H H 57 8.075 8.075 8.772 -0.697 18154 2598 1 4 . 1 1 58 58 THR H H 58 7.900 7.900 7.460 0.440 18154 2599 1 4 . 1 1 59 59 THR HA H 59 4.900 4.900 4.121 0.779 18154 2600 1 4 . 1 1 59 59 THR CA C 59 61.200 61.200 66.619 -5.419 18154 2601 1 4 . 1 1 59 59 THR CB C 59 73.400 73.400 69.118 4.282 18154 2602 1 4 . 1 1 59 59 THR H H 59 9.230 9.230 7.977 1.253 18154 2603 1 4 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.760 0.740 18154 2604 1 4 . 1 1 61 61 GLN HA H 61 4.406 4.406 3.940 0.466 18154 2605 1 4 . 1 1 61 61 GLN C C 61 175.950 175.950 176.030 -0.080 18154 2606 1 4 . 1 1 61 61 GLN CA C 61 55.350 55.350 57.805 -2.455 18154 2607 1 4 . 1 1 61 61 GLN CB C 61 29.160 29.160 29.211 -0.051 18154 2608 1 4 . 1 1 62 62 GLY N N 62 108.420 108.420 105.109 3.311 18154 2609 1 4 . 1 1 62 62 GLY C C 62 173.134 173.134 172.680 0.454 18154 2610 1 4 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.667 1.117 18154 2611 1 4 . 1 1 62 62 GLY H H 62 8.073 8.073 8.149 -0.076 18154 2612 1 4 . 1 1 63 63 ASP N N 63 118.400 118.400 120.697 -2.297 18154 2613 1 4 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.559 0.221 18154 2614 1 4 . 1 1 63 63 ASP CA C 63 53.296 53.296 53.442 -0.146 18154 2615 1 4 . 1 1 63 63 ASP CB C 63 42.740 42.740 41.939 0.801 18154 2616 1 4 . 1 1 63 63 ASP H H 63 7.248 7.248 7.960 -0.712 18154 2617 1 4 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.206 0.194 18154 2618 1 4 . 1 1 64 64 LEU CA C 64 53.150 53.150 53.073 0.077 18154 2619 1 4 . 1 1 64 64 LEU CB C 64 41.687 41.687 41.789 -0.102 18154 2620 1 4 . 1 1 64 64 LEU H H 64 8.445 8.445 8.208 0.237 18154 2621 1 4 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.199 0.094 18154 2622 1 4 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.725 -0.381 18154 2623 1 4 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.224 0.256 18154 2624 1 4 . 1 1 66 66 ASP N N 66 121.200 121.200 124.206 -3.006 18154 2625 1 4 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.297 -0.037 18154 2626 1 4 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.498 1.132 18154 2627 1 4 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.913 -0.113 18154 2628 1 4 . 1 1 66 66 ASP H H 66 8.605 8.605 8.152 0.453 18154 2629 1 4 . 1 1 67 67 SER HA H 67 4.292 4.292 4.232 0.060 18154 2630 1 4 . 1 1 67 67 SER C C 67 175.650 175.650 174.963 0.687 18154 2631 1 4 . 1 1 67 67 SER CA C 67 60.500 60.500 60.337 0.163 18154 2632 1 4 . 1 1 67 67 SER CB C 67 63.530 63.530 63.925 -0.395 18154 2633 1 4 . 1 1 68 68 ILE N N 68 120.550 120.550 121.500 -0.950 18154 2634 1 4 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.360 0.750 18154 2635 1 4 . 1 1 68 68 ILE C C 68 174.713 174.713 176.708 -1.995 18154 2636 1 4 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.886 -0.486 18154 2637 1 4 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.016 4.224 18154 2638 1 4 . 1 1 68 68 ILE H H 68 7.870 7.870 7.606 0.264 18154 2639 1 4 . 1 1 69 69 VAL N N 69 125.740 125.740 123.047 2.693 18154 2640 1 4 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.666 0.079 18154 2641 1 4 . 1 1 69 69 VAL C C 69 174.500 174.500 174.753 -0.253 18154 2642 1 4 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.665 -1.114 18154 2643 1 4 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.302 0.828 18154 2644 1 4 . 1 1 69 69 VAL H H 69 7.428 7.428 8.377 -0.949 18154 2645 1 4 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.341 -0.049 18154 2646 1 4 . 1 1 70 70 PRO C C 70 180.820 180.820 178.615 2.205 18154 2647 1 4 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.061 0.409 18154 2648 1 4 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.231 -0.574 18154 2649 1 4 . 1 1 71 71 LEU N N 71 119.467 119.467 119.905 -0.438 18154 2650 1 4 . 1 1 71 71 LEU HA H 71 3.845 3.845 3.990 -0.145 18154 2651 1 4 . 1 1 71 71 LEU C C 71 176.489 176.489 178.423 -1.934 18154 2652 1 4 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.915 0.292 18154 2653 1 4 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.739 -0.253 18154 2654 1 4 . 1 1 71 71 LEU H H 71 7.918 7.918 7.633 0.285 18154 2655 1 4 . 1 1 72 72 PHE N N 72 119.361 119.361 119.498 -0.137 18154 2656 1 4 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.383 -0.238 18154 2657 1 4 . 1 1 72 72 PHE C C 72 175.968 175.968 177.070 -1.102 18154 2658 1 4 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.844 -0.023 18154 2659 1 4 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.727 0.820 18154 2660 1 4 . 1 1 72 72 PHE H H 72 7.903 7.903 8.775 -0.872 18154 2661 1 4 . 1 1 73 73 GLN N N 73 116.100 116.100 116.865 -0.765 18154 2662 1 4 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.787 -0.260 18154 2663 1 4 . 1 1 73 73 GLN C C 73 177.871 177.871 178.558 -0.687 18154 2664 1 4 . 1 1 73 73 GLN CA C 73 58.140 58.140 59.011 -0.871 18154 2665 1 4 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.473 -0.326 18154 2666 1 4 . 1 1 73 73 GLN H H 73 9.042 9.042 8.445 0.597 18154 2667 1 4 . 1 1 74 74 GLY N N 74 107.110 107.110 108.537 -1.427 18154 2668 1 4 . 1 1 74 74 GLY C C 74 175.894 175.894 176.138 -0.244 18154 2669 1 4 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.927 0.353 18154 2670 1 4 . 1 1 74 74 GLY H H 74 8.045 8.045 8.226 -0.181 18154 2671 1 4 . 1 1 75 75 ILE N N 75 123.629 123.629 122.732 0.897 18154 2672 1 4 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.333 -0.283 18154 2673 1 4 . 1 1 75 75 ILE C C 75 178.622 178.622 177.111 1.511 18154 2674 1 4 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.844 0.414 18154 2675 1 4 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.438 0.530 18154 2676 1 4 . 1 1 75 75 ILE H H 75 8.174 8.174 8.103 0.071 18154 2677 1 4 . 1 1 76 76 LYS N N 76 119.363 119.363 118.506 0.857 18154 2678 1 4 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.732 -0.427 18154 2679 1 4 . 1 1 76 76 LYS C C 76 177.909 177.909 178.263 -0.354 18154 2680 1 4 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.290 0.415 18154 2681 1 4 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.886 0.464 18154 2682 1 4 . 1 1 76 76 LYS H H 76 7.600 7.600 7.499 0.101 18154 2683 1 4 . 1 1 77 77 ASP N N 77 115.190 115.190 118.029 -2.839 18154 2684 1 4 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.548 -0.066 18154 2685 1 4 . 1 1 77 77 ASP C C 77 178.825 178.825 178.112 0.713 18154 2686 1 4 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.114 0.166 18154 2687 1 4 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.702 -0.512 18154 2688 1 4 . 1 1 77 77 ASP H H 77 8.482 8.482 8.235 0.247 18154 2689 1 4 . 1 1 78 78 SER N N 78 112.576 112.576 115.928 -3.352 18154 2690 1 4 . 1 1 78 78 SER HA H 78 4.728 4.728 4.369 0.359 18154 2691 1 4 . 1 1 78 78 SER C C 78 174.556 174.556 175.045 -0.489 18154 2692 1 4 . 1 1 78 78 SER CA C 78 60.045 60.045 59.914 0.131 18154 2693 1 4 . 1 1 78 78 SER CB C 78 64.643 64.643 63.962 0.681 18154 2694 1 4 . 1 1 78 78 SER H H 78 8.273 8.273 7.960 0.313 18154 2695 1 4 . 1 1 79 79 LEU N N 79 120.833 120.833 120.652 0.181 18154 2696 1 4 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.425 0.390 18154 2697 1 4 . 1 1 79 79 LEU C C 79 176.251 176.251 178.740 -2.489 18154 2698 1 4 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.230 -2.270 18154 2699 1 4 . 1 1 79 79 LEU CB C 79 39.196 39.196 41.996 -2.800 18154 2700 1 4 . 1 1 79 79 LEU H H 79 7.025 7.025 7.619 -0.594 18154 2701 1 4 . 1 1 80 80 GLY N N 80 108.861 108.861 106.914 1.947 18154 2702 1 4 . 1 1 80 80 GLY C C 80 173.623 173.623 173.547 0.076 18154 2703 1 4 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.352 -0.123 18154 2704 1 4 . 1 1 80 80 GLY H H 80 7.499 7.499 8.164 -0.665 18154 2705 1 4 . 1 1 81 81 PHE N N 81 121.441 121.441 119.801 1.640 18154 2706 1 4 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.960 0.100 18154 2707 1 4 . 1 1 81 81 PHE C C 81 174.411 174.411 172.555 1.856 18154 2708 1 4 . 1 1 81 81 PHE CA C 81 57.211 57.211 56.406 0.805 18154 2709 1 4 . 1 1 81 81 PHE CB C 81 40.620 40.620 42.009 -1.389 18154 2710 1 4 . 1 1 81 81 PHE H H 81 8.018 8.018 7.537 0.481 18154 2711 1 4 . 1 1 82 82 GLN N N 82 126.480 126.480 123.585 2.895 18154 2712 1 4 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.616 0.274 18154 2713 1 4 . 1 1 82 82 GLN C C 82 172.700 172.700 173.580 -0.880 18154 2714 1 4 . 1 1 82 82 GLN CA C 82 54.177 54.177 51.796 2.381 18154 2715 1 4 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.379 2.221 18154 2716 1 4 . 1 1 82 82 GLN H H 82 9.588 9.588 7.447 2.141 18154 2717 1 4 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.066 0.307 18154 2718 1 4 . 1 1 83 83 PRO C C 83 178.163 178.163 176.585 1.578 18154 2719 1 4 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.423 -0.732 18154 2720 1 4 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.416 -0.551 18154 2721 1 4 . 1 1 84 84 ASN N N 84 116.900 116.900 113.567 3.333 18154 2722 1 4 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.831 -0.062 18154 2723 1 4 . 1 1 84 84 ASN C C 84 173.332 173.332 173.699 -0.367 18154 2724 1 4 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.603 -0.043 18154 2725 1 4 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.555 -1.295 18154 2726 1 4 . 1 1 84 84 ASN H H 84 8.578 8.578 8.073 0.505 18154 2727 1 4 . 1 1 85 85 LEU N N 85 124.380 124.380 122.750 1.630 18154 2728 1 4 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.177 -0.131 18154 2729 1 4 . 1 1 85 85 LEU C C 85 175.880 175.880 175.888 -0.008 18154 2730 1 4 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.855 0.987 18154 2731 1 4 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.179 -0.879 18154 2732 1 4 . 1 1 85 85 LEU H H 85 7.240 7.240 7.608 -0.368 18154 2733 1 4 . 1 1 86 86 ARG N N 86 128.715 128.715 123.705 5.010 18154 2734 1 4 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.683 0.111 18154 2735 1 4 . 1 1 86 86 ARG C C 86 175.554 175.554 175.561 -0.007 18154 2736 1 4 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.346 1.096 18154 2737 1 4 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.463 -0.590 18154 2738 1 4 . 1 1 86 86 ARG H H 86 7.732 7.732 7.802 -0.070 18154 2739 1 4 . 1 1 87 87 TYR N N 87 117.420 117.420 117.678 -0.258 18154 2740 1 4 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.860 0.905 18154 2741 1 4 . 1 1 87 87 TYR C C 87 172.931 172.931 173.585 -0.654 18154 2742 1 4 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.155 -0.894 18154 2743 1 4 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.694 3.244 18154 2744 1 4 . 1 1 87 87 TYR H H 87 8.783 8.783 8.123 0.660 18154 2745 1 4 . 1 1 88 88 GLY N N 88 107.765 107.765 105.273 2.492 18154 2746 1 4 . 1 1 88 88 GLY C C 88 172.621 172.621 171.752 0.869 18154 2747 1 4 . 1 1 88 88 GLY CA C 88 43.861 43.861 43.800 0.061 18154 2748 1 4 . 1 1 88 88 GLY H H 88 8.905 8.905 8.646 0.259 18154 2749 1 4 . 1 1 89 89 VAL N N 89 118.180 118.180 118.652 -0.472 18154 2750 1 4 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.867 0.134 18154 2751 1 4 . 1 1 89 89 VAL C C 89 172.939 172.939 173.850 -0.911 18154 2752 1 4 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.924 0.075 18154 2753 1 4 . 1 1 89 89 VAL CB C 89 36.398 36.398 36.123 0.274 18154 2754 1 4 . 1 1 89 89 VAL H H 89 7.499 7.499 8.376 -0.877 18154 2755 1 4 . 1 1 90 90 ILE N N 90 125.000 125.000 125.761 -0.761 18154 2756 1 4 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.108 0.019 18154 2757 1 4 . 1 1 90 90 ILE C C 90 173.099 173.099 173.622 -0.523 18154 2758 1 4 . 1 1 90 90 ILE CA C 90 60.488 60.488 60.032 0.456 18154 2759 1 4 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.096 0.302 18154 2760 1 4 . 1 1 90 90 ILE H H 90 8.810 8.810 8.968 -0.158 18154 2761 1 4 . 1 1 91 91 ALA N N 91 129.036 129.036 129.765 -0.729 18154 2762 1 4 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.382 -0.056 18154 2763 1 4 . 1 1 91 91 ALA C C 91 174.000 174.000 175.750 -1.750 18154 2764 1 4 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.649 -0.649 18154 2765 1 4 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.172 0.928 18154 2766 1 4 . 1 1 91 91 ALA H H 91 9.253 9.253 8.874 0.379 18154 2767 1 4 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.098 -0.167 18154 2768 1 4 . 1 1 92 92 LEU C C 92 177.366 177.366 176.335 1.031 18154 2769 1 4 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.188 0.729 18154 2770 1 4 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.408 -3.008 18154 2771 1 4 . 1 1 93 93 GLY N N 93 110.663 110.663 107.894 2.769 18154 2772 1 4 . 1 1 93 93 GLY C C 93 172.029 172.029 171.987 0.042 18154 2773 1 4 . 1 1 93 93 GLY CA C 93 45.730 45.730 46.072 -0.342 18154 2774 1 4 . 1 1 93 93 GLY H H 93 8.687 8.687 8.803 -0.116 18154 2775 1 4 . 1 1 94 94 ASP N N 94 119.304 119.304 121.665 -2.361 18154 2776 1 4 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.575 -0.316 18154 2777 1 4 . 1 1 94 94 ASP C C 94 176.978 176.978 177.115 -0.137 18154 2778 1 4 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.118 1.489 18154 2779 1 4 . 1 1 94 94 ASP CB C 94 43.000 43.000 42.948 0.052 18154 2780 1 4 . 1 1 94 94 ASP H H 94 8.129 8.129 8.749 -0.620 18154 2781 1 4 . 1 1 95 95 SER N N 95 123.897 123.897 121.771 2.126 18154 2782 1 4 . 1 1 95 95 SER HA H 95 3.895 3.895 4.056 -0.161 18154 2783 1 4 . 1 1 95 95 SER C C 95 175.243 175.243 175.041 0.202 18154 2784 1 4 . 1 1 95 95 SER CA C 95 60.183 60.183 60.295 -0.112 18154 2785 1 4 . 1 1 95 95 SER CB C 95 61.700 61.700 62.343 -0.642 18154 2786 1 4 . 1 1 95 95 SER H H 95 8.878 8.878 9.364 -0.486 18154 2787 1 4 . 1 1 96 96 SER N N 96 119.248 119.248 116.042 3.206 18154 2788 1 4 . 1 1 96 96 SER HA H 96 4.209 4.209 4.183 0.026 18154 2789 1 4 . 1 1 96 96 SER C C 96 173.900 173.900 174.852 -0.952 18154 2790 1 4 . 1 1 96 96 SER CA C 96 60.197 60.197 59.855 0.342 18154 2791 1 4 . 1 1 96 96 SER CB C 96 63.000 63.000 63.473 -0.473 18154 2792 1 4 . 1 1 96 96 SER H H 96 9.124 9.124 8.229 0.895 18154 2793 1 4 . 1 1 97 97 TYR N N 97 120.889 120.889 120.767 0.122 18154 2794 1 4 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.459 0.429 18154 2795 1 4 . 1 1 97 97 TYR C C 97 175.972 175.972 177.550 -1.578 18154 2796 1 4 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.605 -2.855 18154 2797 1 4 . 1 1 97 97 TYR CB C 97 39.820 39.820 38.678 1.142 18154 2798 1 4 . 1 1 97 97 TYR H H 97 7.664 7.664 7.715 -0.051 18154 2799 1 4 . 1 1 98 98 VAL N N 98 116.952 116.952 121.950 -4.998 18154 2800 1 4 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.807 0.253 18154 2801 1 4 . 1 1 98 98 VAL C C 98 175.969 175.969 176.451 -0.482 18154 2802 1 4 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.190 -2.350 18154 2803 1 4 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.474 1.126 18154 2804 1 4 . 1 1 98 98 VAL H H 98 7.970 7.970 8.598 -0.628 18154 2805 1 4 . 1 1 99 99 ASN N N 99 118.156 118.156 117.624 0.532 18154 2806 1 4 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.826 -0.315 18154 2807 1 4 . 1 1 99 99 ASN C C 99 174.329 174.329 175.712 -1.383 18154 2808 1 4 . 1 1 99 99 ASN CA C 99 53.031 53.031 52.653 0.378 18154 2809 1 4 . 1 1 99 99 ASN CB C 99 37.238 37.238 38.529 -1.291 18154 2810 1 4 . 1 1 99 99 ASN H H 99 8.296 8.296 8.203 0.093 18154 2811 1 4 . 1 1 100 100 PHE N N 100 118.649 118.649 120.525 -1.876 18154 2812 1 4 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.054 0.361 18154 2813 1 4 . 1 1 100 100 PHE C C 100 174.400 174.400 175.580 -1.180 18154 2814 1 4 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.528 -3.337 18154 2815 1 4 . 1 1 100 100 PHE CB C 100 39.679 39.679 38.205 1.474 18154 2816 1 4 . 1 1 100 100 PHE H H 100 7.855 7.855 7.983 -0.128 18154 2817 1 4 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.225 -0.640 18154 2818 1 4 . 1 1 101 101 CYS CA C 101 62.740 62.740 56.059 6.681 18154 2819 1 4 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.436 -1.435 18154 2820 1 4 . 1 1 101 101 CYS H H 101 9.240 9.240 7.844 1.396 18154 2821 1 4 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.380 -0.160 18154 2822 1 4 . 1 1 102 102 ASN CA C 102 57.200 57.200 57.294 -0.094 18154 2823 1 4 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.248 0.352 18154 2824 1 4 . 1 1 102 102 ASN H H 102 8.300 8.300 8.728 -0.428 18154 2825 1 4 . 1 1 103 103 GLY C C 103 175.690 175.690 175.947 -0.257 18154 2826 1 4 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.003 0.347 18154 2827 1 4 . 1 1 104 104 GLY N N 104 106.150 106.150 109.872 -3.722 18154 2828 1 4 . 1 1 104 104 GLY C C 104 174.570 174.570 176.174 -1.604 18154 2829 1 4 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.430 0.920 18154 2830 1 4 . 1 1 104 104 GLY H H 104 7.108 7.108 7.693 -0.585 18154 2831 1 4 . 1 1 105 105 LYS N N 105 120.732 120.732 122.426 -1.694 18154 2832 1 4 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.981 -0.044 18154 2833 1 4 . 1 1 105 105 LYS C C 105 179.706 179.706 179.235 0.471 18154 2834 1 4 . 1 1 105 105 LYS CA C 105 60.308 60.308 60.036 0.272 18154 2835 1 4 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.299 -0.502 18154 2836 1 4 . 1 1 105 105 LYS H H 105 7.708 7.708 7.670 0.038 18154 2837 1 4 . 1 1 106 106 GLN N N 106 119.087 119.087 117.847 1.240 18154 2838 1 4 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.165 -0.023 18154 2839 1 4 . 1 1 106 106 GLN C C 106 179.418 179.418 178.474 0.944 18154 2840 1 4 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.298 0.577 18154 2841 1 4 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.126 0.633 18154 2842 1 4 . 1 1 106 106 GLN H H 106 8.738 8.738 8.551 0.187 18154 2843 1 4 . 1 1 107 107 PHE N N 107 123.088 123.088 120.697 2.391 18154 2844 1 4 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.342 -0.092 18154 2845 1 4 . 1 1 107 107 PHE C C 107 178.403 178.403 177.701 0.702 18154 2846 1 4 . 1 1 107 107 PHE CA C 107 62.185 62.185 62.150 0.035 18154 2847 1 4 . 1 1 107 107 PHE CB C 107 39.451 39.451 39.028 0.423 18154 2848 1 4 . 1 1 107 107 PHE H H 107 7.922 7.922 8.133 -0.211 18154 2849 1 4 . 1 1 108 108 ASP N N 108 117.118 117.118 120.450 -3.332 18154 2850 1 4 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.468 -0.094 18154 2851 1 4 . 1 1 108 108 ASP C C 108 176.973 176.973 178.303 -1.330 18154 2852 1 4 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.785 0.644 18154 2853 1 4 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.044 3.079 18154 2854 1 4 . 1 1 108 108 ASP H H 108 8.305 8.305 8.392 -0.087 18154 2855 1 4 . 1 1 109 109 ALA N N 109 118.590 118.590 122.053 -3.463 18154 2856 1 4 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.047 0.003 18154 2857 1 4 . 1 1 109 109 ALA C C 109 180.430 180.430 179.338 1.092 18154 2858 1 4 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.075 0.120 18154 2859 1 4 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.629 -0.522 18154 2860 1 4 . 1 1 109 109 ALA H H 109 8.332 8.332 8.189 0.143 18154 2861 1 4 . 1 1 110 110 LEU N N 110 120.402 120.402 120.201 0.201 18154 2862 1 4 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.776 0.309 18154 2863 1 4 . 1 1 110 110 LEU C C 110 177.801 177.801 178.791 -0.990 18154 2864 1 4 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.534 0.106 18154 2865 1 4 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.835 0.921 18154 2866 1 4 . 1 1 110 110 LEU H H 110 7.868 7.868 7.913 -0.045 18154 2867 1 4 . 1 1 111 111 LEU N N 111 116.945 116.945 117.157 -0.212 18154 2868 1 4 . 1 1 111 111 LEU HA H 111 3.718 3.718 4.038 -0.320 18154 2869 1 4 . 1 1 111 111 LEU C C 111 179.838 179.838 179.742 0.096 18154 2870 1 4 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.103 0.862 18154 2871 1 4 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.219 -2.359 18154 2872 1 4 . 1 1 111 111 LEU H H 111 7.704 7.704 7.316 0.388 18154 2873 1 4 . 1 1 112 112 GLN N N 112 118.484 118.484 117.192 1.292 18154 2874 1 4 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.152 -0.011 18154 2875 1 4 . 1 1 112 112 GLN C C 112 181.218 181.218 178.014 3.204 18154 2876 1 4 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.694 1.272 18154 2877 1 4 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.261 0.999 18154 2878 1 4 . 1 1 112 112 GLN H H 112 8.441 8.441 8.177 0.264 18154 2879 1 4 . 1 1 113 113 GLU N N 113 122.905 122.905 115.888 7.017 18154 2880 1 4 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.150 0.031 18154 2881 1 4 . 1 1 113 113 GLU C C 113 178.001 178.001 177.290 0.711 18154 2882 1 4 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.534 1.451 18154 2883 1 4 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.465 -0.195 18154 2884 1 4 . 1 1 113 113 GLU H H 113 8.305 8.305 7.816 0.489 18154 2885 1 4 . 1 1 114 114 GLN N N 114 117.332 117.332 117.898 -0.566 18154 2886 1 4 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.284 0.311 18154 2887 1 4 . 1 1 114 114 GLN C C 114 174.538 174.538 176.733 -2.195 18154 2888 1 4 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.456 -1.039 18154 2889 1 4 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.618 -4.788 18154 2890 1 4 . 1 1 114 114 GLN H H 114 7.520 7.520 7.457 0.063 18154 2891 1 4 . 1 1 115 115 SER N N 115 109.100 109.100 109.677 -0.577 18154 2892 1 4 . 1 1 115 115 SER HA H 115 4.200 4.200 4.538 -0.338 18154 2893 1 4 . 1 1 115 115 SER C C 115 172.302 172.302 173.614 -1.312 18154 2894 1 4 . 1 1 115 115 SER CA C 115 60.400 60.400 58.445 1.955 18154 2895 1 4 . 1 1 115 115 SER CB C 115 61.325 61.325 66.071 -4.746 18154 2896 1 4 . 1 1 115 115 SER H H 115 7.950 7.950 7.826 0.124 18154 2897 1 4 . 1 1 116 116 ALA N N 116 121.059 121.059 125.766 -4.707 18154 2898 1 4 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.310 0.484 18154 2899 1 4 . 1 1 116 116 ALA C C 116 176.774 176.774 175.876 0.898 18154 2900 1 4 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.017 -0.327 18154 2901 1 4 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.764 0.601 18154 2902 1 4 . 1 1 116 116 ALA H H 116 7.813 7.813 7.920 -0.107 18154 2903 1 4 . 1 1 117 117 GLN N N 117 118.000 118.000 118.748 -0.748 18154 2904 1 4 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.700 -0.082 18154 2905 1 4 . 1 1 117 117 GLN C C 117 173.769 173.769 175.072 -1.303 18154 2906 1 4 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.395 0.161 18154 2907 1 4 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.664 -0.929 18154 2908 1 4 . 1 1 117 117 GLN H H 117 8.591 8.591 8.300 0.291 18154 2909 1 4 . 1 1 118 118 ARG N N 118 127.947 127.947 125.896 2.051 18154 2910 1 4 . 1 1 118 118 ARG HA H 118 3.308 3.308 3.183 0.125 18154 2911 1 4 . 1 1 118 118 ARG C C 118 176.758 176.758 175.629 1.129 18154 2912 1 4 . 1 1 118 118 ARG CA C 118 56.186 56.186 56.093 0.093 18154 2913 1 4 . 1 1 118 118 ARG CB C 118 30.310 30.310 31.312 -1.002 18154 2914 1 4 . 1 1 118 118 ARG H H 118 8.659 8.659 8.831 -0.172 18154 2915 1 4 . 1 1 119 119 VAL N N 119 131.939 131.939 124.383 7.556 18154 2916 1 4 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.224 -0.111 18154 2917 1 4 . 1 1 119 119 VAL C C 119 176.775 176.775 176.493 0.282 18154 2918 1 4 . 1 1 119 119 VAL CA C 119 62.174 62.174 62.435 -0.262 18154 2919 1 4 . 1 1 119 119 VAL CB C 119 32.394 32.394 32.836 -0.442 18154 2920 1 4 . 1 1 119 119 VAL H H 119 9.520 9.520 8.317 1.203 18154 2921 1 4 . 1 1 120 120 GLY N N 120 116.074 116.074 115.885 0.189 18154 2922 1 4 . 1 1 120 120 GLY C C 120 172.757 172.757 174.463 -1.706 18154 2923 1 4 . 1 1 120 120 GLY CA C 120 43.898 43.898 46.066 -2.168 18154 2924 1 4 . 1 1 120 120 GLY H H 120 8.755 8.755 8.548 0.207 18154 2925 1 4 . 1 1 121 121 GLU N N 121 118.754 118.754 120.666 -1.912 18154 2926 1 4 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.890 -0.224 18154 2927 1 4 . 1 1 121 121 GLU C C 121 177.419 177.419 176.594 0.825 18154 2928 1 4 . 1 1 121 121 GLU CA C 121 54.491 54.491 55.690 -1.199 18154 2929 1 4 . 1 1 121 121 GLU CB C 121 31.498 31.498 31.216 0.282 18154 2930 1 4 . 1 1 121 121 GLU H H 121 8.594 8.594 8.667 -0.073 18154 2931 1 4 . 1 1 122 122 MET N N 122 122.642 122.642 116.561 6.081 18154 2932 1 4 . 1 1 122 122 MET HA H 122 4.415 4.415 5.127 -0.712 18154 2933 1 4 . 1 1 122 122 MET C C 122 175.351 175.351 174.795 0.556 18154 2934 1 4 . 1 1 122 122 MET CA C 122 57.024 57.024 53.192 3.832 18154 2935 1 4 . 1 1 122 122 MET CB C 122 34.210 34.210 35.625 -1.415 18154 2936 1 4 . 1 1 122 122 MET H H 122 8.892 8.892 8.227 0.665 18154 2937 1 4 . 1 1 123 123 LEU N N 123 129.535 129.535 122.205 7.330 18154 2938 1 4 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.341 0.009 18154 2939 1 4 . 1 1 123 123 LEU C C 123 173.124 173.124 174.069 -0.945 18154 2940 1 4 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.049 0.690 18154 2941 1 4 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.501 -1.423 18154 2942 1 4 . 1 1 123 123 LEU H H 123 7.868 7.868 7.467 0.401 18154 2943 1 4 . 1 1 124 124 LEU N N 124 127.120 127.120 125.457 1.663 18154 2944 1 4 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.791 0.264 18154 2945 1 4 . 1 1 124 124 LEU C C 124 176.379 176.379 176.143 0.236 18154 2946 1 4 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.123 0.427 18154 2947 1 4 . 1 1 124 124 LEU CB C 124 41.378 41.378 43.088 -1.710 18154 2948 1 4 . 1 1 124 124 LEU H H 124 8.346 8.346 8.165 0.181 18154 2949 1 4 . 1 1 125 125 ILE N N 125 124.337 124.337 124.926 -0.589 18154 2950 1 4 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.279 -0.099 18154 2951 1 4 . 1 1 125 125 ILE C C 125 174.303 174.303 174.674 -0.371 18154 2952 1 4 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.755 0.345 18154 2953 1 4 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.909 -0.966 18154 2954 1 4 . 1 1 125 125 ILE H H 125 8.974 8.974 8.445 0.529 18154 2955 1 4 . 1 1 126 126 ASP N N 126 127.113 127.113 128.429 -1.316 18154 2956 1 4 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.334 -0.219 18154 2957 1 4 . 1 1 126 126 ASP C C 126 176.766 176.766 176.431 0.335 18154 2958 1 4 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.291 -0.444 18154 2959 1 4 . 1 1 126 126 ASP CB C 126 41.100 41.100 41.799 -0.699 18154 2960 1 4 . 1 1 126 126 ASP H H 126 9.397 9.397 8.894 0.503 18154 2961 1 4 . 1 1 127 127 ALA N N 127 131.178 131.178 131.523 -0.345 18154 2962 1 4 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.547 -0.231 18154 2963 1 4 . 1 1 127 127 ALA C C 127 178.530 178.530 178.856 -0.326 18154 2964 1 4 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.071 -0.224 18154 2965 1 4 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.032 -0.240 18154 2966 1 4 . 1 1 127 127 ALA H H 127 9.696 9.696 9.155 0.541 18154 2967 1 4 . 1 1 128 128 SER N N 128 112.064 112.064 112.885 -0.821 18154 2968 1 4 . 1 1 128 128 SER HA H 128 4.224 4.224 4.181 0.043 18154 2969 1 4 . 1 1 128 128 SER C C 128 175.000 175.000 175.500 -0.500 18154 2970 1 4 . 1 1 128 128 SER CA C 128 61.246 61.246 60.566 0.679 18154 2971 1 4 . 1 1 128 128 SER CB C 128 63.310 63.310 63.417 -0.107 18154 2972 1 4 . 1 1 128 128 SER H H 128 8.373 8.373 8.322 0.051 18154 2973 1 4 . 1 1 129 129 GLU N N 129 119.468 119.468 118.772 0.696 18154 2974 1 4 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.413 -0.013 18154 2975 1 4 . 1 1 129 129 GLU C C 129 175.947 175.947 176.012 -0.065 18154 2976 1 4 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.907 -0.492 18154 2977 1 4 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.848 -0.118 18154 2978 1 4 . 1 1 129 129 GLU H H 129 7.267 7.267 7.561 -0.294 18154 2979 1 4 . 1 1 130 130 ASN N N 130 115.968 115.968 118.179 -2.211 18154 2980 1 4 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.137 0.029 18154 2981 1 4 . 1 1 130 130 ASN C C 130 172.000 172.000 173.991 -1.991 18154 2982 1 4 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.671 -0.448 18154 2983 1 4 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.770 -0.104 18154 2984 1 4 . 1 1 130 130 ASN H H 130 8.072 8.072 8.239 -0.167 18154 2985 1 4 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.610 -0.060 18154 2986 1 4 . 1 1 131 131 PRO C C 131 176.400 176.400 176.414 -0.014 18154 2987 1 4 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.591 -0.091 18154 2988 1 4 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.967 0.333 18154 2989 1 4 . 1 1 132 132 GLU N N 132 119.000 119.000 119.201 -0.201 18154 2990 1 4 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.819 0.201 18154 2991 1 4 . 1 1 132 132 GLU C C 132 174.200 174.200 175.209 -1.009 18154 2992 1 4 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.188 -0.188 18154 2993 1 4 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.458 0.242 18154 2994 1 4 . 1 1 132 132 GLU H H 132 7.690 7.690 8.071 -0.381 18154 2995 1 4 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.245 -0.245 18154 2996 1 4 . 1 1 133 133 PRO C C 133 177.391 177.391 178.178 -0.787 18154 2997 1 4 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.203 0.266 18154 2998 1 4 . 1 1 133 133 PRO CB C 133 32.145 32.145 32.027 0.118 18154 2999 1 4 . 1 1 134 134 GLU N N 134 122.846 122.846 117.460 5.386 18154 3000 1 4 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.228 0.992 18154 3001 1 4 . 1 1 134 134 GLU C C 134 178.385 178.385 178.716 -0.331 18154 3002 1 4 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.075 -1.483 18154 3003 1 4 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.578 -1.988 18154 3004 1 4 . 1 1 134 134 GLU H H 134 10.707 10.707 8.803 1.904 18154 3005 1 4 . 1 1 135 135 THR N N 135 113.016 113.016 111.403 1.613 18154 3006 1 4 . 1 1 135 135 THR HA H 135 4.182 4.182 4.175 0.007 18154 3007 1 4 . 1 1 135 135 THR C C 135 176.460 176.460 175.702 0.758 18154 3008 1 4 . 1 1 135 135 THR CA C 135 64.752 64.752 65.013 -0.260 18154 3009 1 4 . 1 1 135 135 THR CB C 135 69.248 69.248 68.882 0.367 18154 3010 1 4 . 1 1 135 135 THR H H 135 8.168 8.168 8.116 0.052 18154 3011 1 4 . 1 1 136 136 GLU N N 136 118.978 118.978 121.290 -2.312 18154 3012 1 4 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.521 0.043 18154 3013 1 4 . 1 1 136 136 GLU C C 136 178.370 178.370 178.556 -0.186 18154 3014 1 4 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.076 -1.163 18154 3015 1 4 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.728 1.372 18154 3016 1 4 . 1 1 136 136 GLU H H 136 7.680 7.680 7.669 0.011 18154 3017 1 4 . 1 1 137 137 SER N N 137 116.501 116.501 116.098 0.403 18154 3018 1 4 . 1 1 137 137 SER HA H 137 4.033 4.033 4.214 -0.181 18154 3019 1 4 . 1 1 137 137 SER C C 137 175.670 175.670 176.657 -0.987 18154 3020 1 4 . 1 1 137 137 SER CA C 137 62.330 62.330 62.165 0.165 18154 3021 1 4 . 1 1 137 137 SER CB C 137 61.380 61.380 62.995 -1.615 18154 3022 1 4 . 1 1 137 137 SER H H 137 8.824 8.824 8.411 0.413 18154 3023 1 4 . 1 1 138 138 ASN N N 138 123.517 123.517 121.255 2.262 18154 3024 1 4 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.745 -0.154 18154 3025 1 4 . 1 1 138 138 ASN C C 138 175.700 175.700 175.378 0.322 18154 3026 1 4 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.715 -0.229 18154 3027 1 4 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.060 -2.807 18154 3028 1 4 . 1 1 138 138 ASN H H 138 8.564 8.564 8.297 0.267 18154 3029 1 4 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.304 0.151 18154 3030 1 4 . 1 1 139 139 PRO C C 139 180.033 180.033 178.374 1.659 18154 3031 1 4 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.267 0.343 18154 3032 1 4 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.327 -0.791 18154 3033 1 4 . 1 1 140 140 TRP N N 140 119.700 119.700 121.627 -1.927 18154 3034 1 4 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.442 -0.109 18154 3035 1 4 . 1 1 140 140 TRP C C 140 179.195 179.195 178.118 1.077 18154 3036 1 4 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.852 0.328 18154 3037 1 4 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.699 1.052 18154 3038 1 4 . 1 1 140 140 TRP H H 140 7.057 7.057 7.730 -0.673 18154 3039 1 4 . 1 1 141 141 VAL N N 141 122.879 122.879 119.500 3.379 18154 3040 1 4 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.704 0.032 18154 3041 1 4 . 1 1 141 141 VAL C C 141 177.416 177.416 178.479 -1.063 18154 3042 1 4 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.166 -0.450 18154 3043 1 4 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.563 -0.131 18154 3044 1 4 . 1 1 141 141 VAL H H 141 9.629 9.629 8.697 0.932 18154 3045 1 4 . 1 1 142 142 GLU N N 142 119.965 119.965 119.603 0.362 18154 3046 1 4 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.059 -0.327 18154 3047 1 4 . 1 1 142 142 GLU C C 142 178.800 178.800 178.829 -0.029 18154 3048 1 4 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.447 -0.115 18154 3049 1 4 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.291 0.269 18154 3050 1 4 . 1 1 142 142 GLU H H 142 8.551 8.551 8.185 0.366 18154 3051 1 4 . 1 1 143 143 GLN N N 143 115.364 115.364 119.851 -4.487 18154 3052 1 4 . 1 1 143 143 GLN HA H 143 4.290 4.290 4.092 0.198 18154 3053 1 4 . 1 1 143 143 GLN C C 143 177.840 177.840 177.752 0.088 18154 3054 1 4 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.163 1.200 18154 3055 1 4 . 1 1 143 143 GLN CB C 143 29.362 29.362 28.495 0.867 18154 3056 1 4 . 1 1 143 143 GLN H H 143 7.380 7.380 7.827 -0.447 18154 3057 1 4 . 1 1 144 144 TRP N N 144 126.680 126.680 122.194 4.486 18154 3058 1 4 . 1 1 144 144 TRP HA H 144 3.334 3.334 4.023 -0.689 18154 3059 1 4 . 1 1 144 144 TRP C C 144 178.200 178.200 178.649 -0.449 18154 3060 1 4 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.756 2.204 18154 3061 1 4 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.548 -0.023 18154 3062 1 4 . 1 1 144 144 TRP H H 144 9.215 9.215 8.487 0.728 18154 3063 1 4 . 1 1 145 145 GLY N N 145 100.130 100.130 105.495 -5.365 18154 3064 1 4 . 1 1 145 145 GLY C C 145 177.391 177.391 175.529 1.862 18154 3065 1 4 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.060 -0.300 18154 3066 1 4 . 1 1 145 145 GLY H H 145 8.834 8.834 8.718 0.116 18154 3067 1 4 . 1 1 146 146 THR N N 146 110.831 110.831 113.499 -2.668 18154 3068 1 4 . 1 1 146 146 THR HA H 146 4.319 4.319 4.075 0.244 18154 3069 1 4 . 1 1 146 146 THR C C 146 175.574 175.574 175.689 -0.115 18154 3070 1 4 . 1 1 146 146 THR CA C 146 63.260 63.260 64.019 -0.759 18154 3071 1 4 . 1 1 146 146 THR CB C 146 69.660 69.660 68.729 0.931 18154 3072 1 4 . 1 1 146 146 THR H H 146 7.594 7.594 7.577 0.017 18154 3073 1 4 . 1 1 147 147 LEU N N 147 120.678 120.678 120.588 0.090 18154 3074 1 4 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.132 -0.074 18154 3075 1 4 . 1 1 147 147 LEU C C 147 177.176 177.176 176.707 0.469 18154 3076 1 4 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.638 -1.323 18154 3077 1 4 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.739 -0.511 18154 3078 1 4 . 1 1 147 147 LEU H H 147 7.458 7.458 7.447 0.011 18154 3079 1 4 . 1 1 148 148 LEU N N 148 117.062 117.062 118.138 -1.076 18154 3080 1 4 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.756 -0.038 18154 3081 1 4 . 1 1 148 148 LEU C C 148 175.570 175.570 176.677 -1.107 18154 3082 1 4 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.390 -0.439 18154 3083 1 4 . 1 1 148 148 LEU CB C 148 39.600 39.600 40.866 -1.266 18154 3084 1 4 . 1 1 148 148 LEU H H 148 6.482 6.482 7.054 -0.572 18154 3085 1 5 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.718 -0.489 18154 3086 1 5 . 1 1 2 2 ALA C C 2 173.315 173.315 175.918 -2.603 18154 3087 1 5 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.952 -0.372 18154 3088 1 5 . 1 1 2 2 ALA CB C 2 20.223 20.223 20.344 -0.121 18154 3089 1 5 . 1 1 3 3 GLU N N 3 121.874 121.874 121.158 0.716 18154 3090 1 5 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.584 -0.310 18154 3091 1 5 . 1 1 3 3 GLU C C 3 174.545 174.545 175.587 -1.042 18154 3092 1 5 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.108 0.742 18154 3093 1 5 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.833 -1.113 18154 3094 1 5 . 1 1 3 3 GLU H H 3 8.696 8.696 8.724 -0.028 18154 3095 1 5 . 1 1 4 4 ILE N N 4 120.672 120.672 125.251 -4.579 18154 3096 1 5 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.709 0.400 18154 3097 1 5 . 1 1 4 4 ILE C C 4 175.463 175.463 174.809 0.654 18154 3098 1 5 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.121 -0.288 18154 3099 1 5 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.653 3.018 18154 3100 1 5 . 1 1 4 4 ILE H H 4 8.860 8.860 9.294 -0.434 18154 3101 1 5 . 1 1 5 5 GLY N N 5 119.310 119.310 114.603 4.707 18154 3102 1 5 . 1 1 5 5 GLY C C 5 171.260 171.260 172.778 -1.518 18154 3103 1 5 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.281 0.540 18154 3104 1 5 . 1 1 5 5 GLY H H 5 8.469 8.469 7.975 0.494 18154 3105 1 5 . 1 1 6 6 ILE N N 6 126.915 126.915 125.698 1.217 18154 3106 1 5 . 1 1 6 6 ILE HA H 6 5.190 5.190 4.957 0.233 18154 3107 1 5 . 1 1 6 6 ILE C C 6 173.901 173.901 174.460 -0.559 18154 3108 1 5 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.613 -0.613 18154 3109 1 5 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.782 -1.782 18154 3110 1 5 . 1 1 6 6 ILE H H 6 9.056 9.056 9.145 -0.089 18154 3111 1 5 . 1 1 7 7 PHE N N 7 127.354 127.354 127.246 0.108 18154 3112 1 5 . 1 1 7 7 PHE HA H 7 4.512 4.512 4.952 -0.440 18154 3113 1 5 . 1 1 7 7 PHE C C 7 174.230 174.230 174.468 -0.238 18154 3114 1 5 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.603 1.807 18154 3115 1 5 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.290 1.438 18154 3116 1 5 . 1 1 7 7 PHE H H 7 8.960 8.960 9.461 -0.501 18154 3117 1 5 . 1 1 8 8 VAL HA H 8 5.060 5.060 4.800 0.260 18154 3118 1 5 . 1 1 8 8 VAL C C 8 175.450 175.450 175.255 0.195 18154 3119 1 5 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.869 0.331 18154 3120 1 5 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.752 0.685 18154 3121 1 5 . 1 1 9 9 GLY N N 9 115.000 115.000 113.754 1.246 18154 3122 1 5 . 1 1 9 9 GLY C C 9 173.150 173.150 172.481 0.669 18154 3123 1 5 . 1 1 9 9 GLY CA C 9 45.000 45.000 45.091 -0.091 18154 3124 1 5 . 1 1 9 9 GLY H H 9 9.393 9.393 8.922 0.471 18154 3125 1 5 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.084 0.611 18154 3126 1 5 . 1 1 12 12 TYR C C 12 176.560 176.560 176.717 -0.157 18154 3127 1 5 . 1 1 12 12 TYR CA C 12 57.750 57.750 58.490 -0.740 18154 3128 1 5 . 1 1 12 12 TYR CB C 12 38.000 38.000 35.643 2.357 18154 3129 1 5 . 1 1 13 13 GLY N N 13 109.870 109.870 107.174 2.696 18154 3130 1 5 . 1 1 13 13 GLY C C 13 175.930 175.930 175.482 0.448 18154 3131 1 5 . 1 1 13 13 GLY CA C 13 46.000 46.000 45.992 0.008 18154 3132 1 5 . 1 1 13 13 GLY H H 13 8.500 8.500 8.008 0.492 18154 3133 1 5 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.126 0.104 18154 3134 1 5 . 1 1 17 17 LEU C C 17 179.210 179.210 178.541 0.669 18154 3135 1 5 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.602 0.798 18154 3136 1 5 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.466 -0.166 18154 3137 1 5 . 1 1 18 18 VAL N N 18 117.231 117.231 117.752 -0.521 18154 3138 1 5 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.518 -0.195 18154 3139 1 5 . 1 1 18 18 VAL C C 18 178.460 178.460 177.752 0.708 18154 3140 1 5 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.476 0.390 18154 3141 1 5 . 1 1 18 18 VAL CB C 18 31.460 31.460 31.306 0.154 18154 3142 1 5 . 1 1 18 18 VAL H H 18 7.645 7.645 7.940 -0.295 18154 3143 1 5 . 1 1 19 19 ALA N N 19 121.820 121.820 121.014 0.806 18154 3144 1 5 . 1 1 19 19 ALA HA H 19 3.816 3.816 4.011 -0.195 18154 3145 1 5 . 1 1 19 19 ALA C C 19 178.180 178.180 179.374 -1.194 18154 3146 1 5 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.416 0.160 18154 3147 1 5 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.060 1.940 18154 3148 1 5 . 1 1 19 19 ALA H H 19 8.010 8.010 7.980 0.030 18154 3149 1 5 . 1 1 20 20 GLU N N 20 118.960 118.960 118.373 0.587 18154 3150 1 5 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.002 0.014 18154 3151 1 5 . 1 1 20 20 GLU C C 20 180.950 180.950 179.241 1.709 18154 3152 1 5 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.145 0.521 18154 3153 1 5 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.355 -0.055 18154 3154 1 5 . 1 1 20 20 GLU H H 20 8.700 8.700 7.911 0.789 18154 3155 1 5 . 1 1 21 21 GLU N N 21 121.371 121.371 119.687 1.684 18154 3156 1 5 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.062 -0.018 18154 3157 1 5 . 1 1 21 21 GLU C C 21 179.419 179.419 178.779 0.640 18154 3158 1 5 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.194 0.116 18154 3159 1 5 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.244 0.317 18154 3160 1 5 . 1 1 21 21 GLU H H 21 8.632 8.632 8.060 0.572 18154 3161 1 5 . 1 1 22 22 ALA N N 22 121.329 121.329 122.693 -1.364 18154 3162 1 5 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.052 0.006 18154 3163 1 5 . 1 1 22 22 ALA C C 22 178.823 178.823 179.376 -0.553 18154 3164 1 5 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.691 -1.014 18154 3165 1 5 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.035 -0.393 18154 3166 1 5 . 1 1 22 22 ALA H H 22 8.182 8.182 8.609 -0.427 18154 3167 1 5 . 1 1 23 23 GLU N N 23 119.035 119.035 119.649 -0.614 18154 3168 1 5 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.023 -0.619 18154 3169 1 5 . 1 1 23 23 GLU C C 23 178.375 178.375 178.288 0.087 18154 3170 1 5 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.717 0.591 18154 3171 1 5 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.507 -0.577 18154 3172 1 5 . 1 1 23 23 GLU H H 23 8.387 8.387 8.145 0.242 18154 3173 1 5 . 1 1 24 24 ALA N N 24 122.207 122.207 122.068 0.139 18154 3174 1 5 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.090 -0.060 18154 3175 1 5 . 1 1 24 24 ALA C C 24 181.132 181.132 180.061 1.071 18154 3176 1 5 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.054 0.432 18154 3177 1 5 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.557 -0.557 18154 3178 1 5 . 1 1 24 24 ALA H H 24 7.535 7.535 7.894 -0.359 18154 3179 1 5 . 1 1 25 25 ILE N N 25 121.059 121.059 120.002 1.057 18154 3180 1 5 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.684 -0.020 18154 3181 1 5 . 1 1 25 25 ILE C C 25 178.419 178.419 177.868 0.551 18154 3182 1 5 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.039 -0.931 18154 3183 1 5 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.087 0.876 18154 3184 1 5 . 1 1 25 25 ILE H H 25 7.800 7.800 8.561 -0.761 18154 3185 1 5 . 1 1 26 26 LEU N N 26 119.307 119.307 120.756 -1.449 18154 3186 1 5 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.140 0.036 18154 3187 1 5 . 1 1 26 26 LEU C C 26 179.863 179.863 179.789 0.074 18154 3188 1 5 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.276 -0.330 18154 3189 1 5 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.344 -0.204 18154 3190 1 5 . 1 1 26 26 LEU H H 26 8.509 8.509 8.269 0.240 18154 3191 1 5 . 1 1 27 27 THR N N 27 117.830 117.830 115.641 2.189 18154 3192 1 5 . 1 1 27 27 THR HA H 27 4.524 4.524 4.353 0.171 18154 3193 1 5 . 1 1 27 27 THR C C 27 179.027 179.027 176.467 2.560 18154 3194 1 5 . 1 1 27 27 THR CA C 27 66.000 66.000 66.685 -0.685 18154 3195 1 5 . 1 1 27 27 THR CB C 27 68.600 68.600 68.658 -0.058 18154 3196 1 5 . 1 1 27 27 THR H H 27 8.796 8.796 8.673 0.123 18154 3197 1 5 . 1 1 28 28 ALA N N 28 126.313 126.313 122.951 3.362 18154 3198 1 5 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.163 0.042 18154 3199 1 5 . 1 1 28 28 ALA C C 28 179.360 179.360 179.633 -0.273 18154 3200 1 5 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.281 0.719 18154 3201 1 5 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.222 -0.572 18154 3202 1 5 . 1 1 28 28 ALA H H 28 7.832 7.832 7.876 -0.044 18154 3203 1 5 . 1 1 29 29 GLN N N 29 115.527 115.527 116.874 -1.347 18154 3204 1 5 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.065 0.062 18154 3205 1 5 . 1 1 29 29 GLN C C 29 176.547 176.547 177.038 -0.491 18154 3206 1 5 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.208 -0.645 18154 3207 1 5 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.534 -0.124 18154 3208 1 5 . 1 1 29 29 GLN H H 29 7.353 7.353 8.208 -0.855 18154 3209 1 5 . 1 1 30 30 GLY N N 30 105.961 105.961 105.409 0.552 18154 3210 1 5 . 1 1 30 30 GLY C C 30 174.785 174.785 173.863 0.922 18154 3211 1 5 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.519 -0.019 18154 3212 1 5 . 1 1 30 30 GLY H H 30 7.923 7.923 7.657 0.266 18154 3213 1 5 . 1 1 31 31 HIS N N 31 119.471 119.471 117.235 2.236 18154 3214 1 5 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.713 0.122 18154 3215 1 5 . 1 1 31 31 HIS C C 31 174.665 174.665 174.187 0.478 18154 3216 1 5 . 1 1 31 31 HIS CA C 31 55.842 55.842 55.336 0.506 18154 3217 1 5 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.237 0.763 18154 3218 1 5 . 1 1 31 31 HIS H H 31 7.558 7.558 7.924 -0.366 18154 3219 1 5 . 1 1 32 32 LYS N N 32 121.854 121.854 120.806 1.048 18154 3220 1 5 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.516 0.207 18154 3221 1 5 . 1 1 32 32 LYS C C 32 174.466 174.466 174.413 0.053 18154 3222 1 5 . 1 1 32 32 LYS CA C 32 54.865 54.865 55.558 -0.693 18154 3223 1 5 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.950 0.010 18154 3224 1 5 . 1 1 32 32 LYS H H 32 8.665 8.665 8.680 -0.015 18154 3225 1 5 . 1 1 33 33 ALA N N 33 130.188 130.188 130.465 -0.277 18154 3226 1 5 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.728 0.090 18154 3227 1 5 . 1 1 33 33 ALA C C 33 175.567 175.567 176.129 -0.562 18154 3228 1 5 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.103 -0.127 18154 3229 1 5 . 1 1 33 33 ALA CB C 33 22.297 22.297 22.429 -0.132 18154 3230 1 5 . 1 1 33 33 ALA H H 33 8.837 8.837 8.284 0.553 18154 3231 1 5 . 1 1 34 34 THR N N 34 117.164 117.164 117.120 0.044 18154 3232 1 5 . 1 1 34 34 THR HA H 34 4.359 4.359 4.531 -0.172 18154 3233 1 5 . 1 1 34 34 THR C C 34 171.315 171.315 172.557 -1.242 18154 3234 1 5 . 1 1 34 34 THR CA C 34 61.840 61.840 61.097 0.743 18154 3235 1 5 . 1 1 34 34 THR CB C 34 71.800 71.800 71.626 0.174 18154 3236 1 5 . 1 1 34 34 THR H H 34 7.826 7.826 8.968 -1.142 18154 3237 1 5 . 1 1 35 35 VAL N N 35 126.650 126.650 125.565 1.085 18154 3238 1 5 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.663 -0.480 18154 3239 1 5 . 1 1 35 35 VAL C C 35 174.675 174.675 174.024 0.651 18154 3240 1 5 . 1 1 35 35 VAL CA C 35 61.928 61.928 60.129 1.799 18154 3241 1 5 . 1 1 35 35 VAL CB C 35 32.650 32.650 33.295 -0.645 18154 3242 1 5 . 1 1 35 35 VAL H H 35 8.496 8.496 8.393 0.103 18154 3243 1 5 . 1 1 36 36 PHE N N 36 127.630 127.630 126.249 1.381 18154 3244 1 5 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.772 -0.221 18154 3245 1 5 . 1 1 36 36 PHE C C 36 174.347 174.347 173.892 0.455 18154 3246 1 5 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.565 0.917 18154 3247 1 5 . 1 1 36 36 PHE CB C 36 40.165 40.165 41.654 -1.489 18154 3248 1 5 . 1 1 36 36 PHE H H 36 9.164 9.164 8.997 0.167 18154 3249 1 5 . 1 1 37 37 GLU N N 37 123.516 123.516 123.336 0.180 18154 3250 1 5 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.568 -0.098 18154 3251 1 5 . 1 1 37 37 GLU C C 37 175.954 175.954 175.512 0.442 18154 3252 1 5 . 1 1 37 37 GLU CA C 37 55.719 55.719 55.569 0.150 18154 3253 1 5 . 1 1 37 37 GLU CB C 37 31.460 31.460 32.655 -1.195 18154 3254 1 5 . 1 1 37 37 GLU H H 37 8.455 8.455 8.512 -0.057 18154 3255 1 5 . 1 1 38 38 ASP N N 38 120.395 120.395 122.577 -2.182 18154 3256 1 5 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.394 0.439 18154 3257 1 5 . 1 1 38 38 ASP C C 38 173.920 173.920 174.266 -0.346 18154 3258 1 5 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.281 0.196 18154 3259 1 5 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.401 0.203 18154 3260 1 5 . 1 1 38 38 ASP H H 38 9.602 9.602 8.722 0.880 18154 3261 1 5 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.507 0.173 18154 3262 1 5 . 1 1 39 39 PRO C C 39 176.274 176.274 176.338 -0.064 18154 3263 1 5 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.412 -0.428 18154 3264 1 5 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.766 1.634 18154 3265 1 5 . 1 1 40 40 GLU N N 40 119.026 119.026 122.956 -3.930 18154 3266 1 5 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.471 0.257 18154 3267 1 5 . 1 1 40 40 GLU C C 40 177.827 177.827 177.739 0.088 18154 3268 1 5 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.533 -1.563 18154 3269 1 5 . 1 1 40 40 GLU CB C 40 33.400 33.400 30.749 2.651 18154 3270 1 5 . 1 1 40 40 GLU H H 40 9.178 9.178 8.605 0.573 18154 3271 1 5 . 1 1 41 41 LEU N N 41 123.708 123.708 125.552 -1.844 18154 3272 1 5 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.214 -0.320 18154 3273 1 5 . 1 1 41 41 LEU C C 41 178.730 178.730 177.977 0.753 18154 3274 1 5 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.678 0.729 18154 3275 1 5 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.754 -0.101 18154 3276 1 5 . 1 1 41 41 LEU H H 41 9.160 9.160 8.859 0.301 18154 3277 1 5 . 1 1 42 42 SER N N 42 110.500 110.500 114.478 -3.978 18154 3278 1 5 . 1 1 42 42 SER HA H 42 4.010 4.010 4.300 -0.290 18154 3279 1 5 . 1 1 42 42 SER C C 42 176.300 176.300 175.059 1.241 18154 3280 1 5 . 1 1 42 42 SER CA C 42 61.600 61.600 60.803 0.797 18154 3281 1 5 . 1 1 42 42 SER CB C 42 62.140 62.140 62.787 -0.647 18154 3282 1 5 . 1 1 42 42 SER H H 42 8.415 8.415 8.591 -0.176 18154 3283 1 5 . 1 1 43 43 ASP N N 43 119.770 119.770 120.701 -0.931 18154 3284 1 5 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.751 -0.294 18154 3285 1 5 . 1 1 43 43 ASP C C 43 176.150 176.150 176.352 -0.202 18154 3286 1 5 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.469 1.281 18154 3287 1 5 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.999 1.701 18154 3288 1 5 . 1 1 43 43 ASP H H 43 7.690 7.690 7.956 -0.266 18154 3289 1 5 . 1 1 44 44 TRP N N 44 118.500 118.500 121.463 -2.963 18154 3290 1 5 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.452 -0.242 18154 3291 1 5 . 1 1 44 44 TRP C C 44 177.150 177.150 177.601 -0.451 18154 3292 1 5 . 1 1 44 44 TRP CA C 44 59.387 59.387 59.336 0.051 18154 3293 1 5 . 1 1 44 44 TRP CB C 44 30.310 30.310 29.791 0.519 18154 3294 1 5 . 1 1 44 44 TRP H H 44 7.464 7.464 7.353 0.111 18154 3295 1 5 . 1 1 45 45 LEU N N 45 114.100 114.100 121.258 -7.158 18154 3296 1 5 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.051 0.124 18154 3297 1 5 . 1 1 45 45 LEU C C 45 176.300 176.300 176.045 0.255 18154 3298 1 5 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.453 -0.893 18154 3299 1 5 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.376 -0.156 18154 3300 1 5 . 1 1 45 45 LEU H H 45 7.550 7.550 8.773 -1.223 18154 3301 1 5 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.253 0.127 18154 3302 1 5 . 1 1 46 46 PRO C C 46 176.799 176.799 177.432 -0.633 18154 3303 1 5 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.596 0.691 18154 3304 1 5 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.058 0.542 18154 3305 1 5 . 1 1 47 47 TYR N N 47 113.790 113.790 117.776 -3.986 18154 3306 1 5 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.595 -0.475 18154 3307 1 5 . 1 1 47 47 TYR C C 47 175.730 175.730 178.342 -2.612 18154 3308 1 5 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.420 1.780 18154 3309 1 5 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.444 0.572 18154 3310 1 5 . 1 1 47 47 TYR H H 47 8.291 8.291 8.298 -0.007 18154 3311 1 5 . 1 1 48 48 GLN N N 48 116.524 116.524 120.719 -4.195 18154 3312 1 5 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.966 -0.081 18154 3313 1 5 . 1 1 48 48 GLN C C 48 174.381 174.381 176.614 -2.233 18154 3314 1 5 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.473 0.353 18154 3315 1 5 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.928 2.072 18154 3316 1 5 . 1 1 48 48 GLN H H 48 7.300 7.300 7.513 -0.213 18154 3317 1 5 . 1 1 49 49 ASP N N 49 114.657 114.657 114.174 0.483 18154 3318 1 5 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.624 0.063 18154 3319 1 5 . 1 1 49 49 ASP C C 49 176.307 176.307 175.894 0.413 18154 3320 1 5 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.865 -2.130 18154 3321 1 5 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.157 -0.957 18154 3322 1 5 . 1 1 49 49 ASP H H 49 7.854 7.854 8.463 -0.609 18154 3323 1 5 . 1 1 50 50 LYS N N 50 123.514 123.514 119.116 4.398 18154 3324 1 5 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.595 -0.005 18154 3325 1 5 . 1 1 50 50 LYS C C 50 172.964 172.964 175.576 -2.612 18154 3326 1 5 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.830 -1.137 18154 3327 1 5 . 1 1 50 50 LYS CB C 50 33.355 33.355 34.912 -1.557 18154 3328 1 5 . 1 1 50 50 LYS H H 50 7.833 7.833 7.288 0.545 18154 3329 1 5 . 1 1 51 51 TYR N N 51 118.375 118.375 115.595 2.780 18154 3330 1 5 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.657 0.398 18154 3331 1 5 . 1 1 51 51 TYR C C 51 175.875 175.875 176.048 -0.173 18154 3332 1 5 . 1 1 51 51 TYR CA C 51 56.421 56.421 57.091 -0.670 18154 3333 1 5 . 1 1 51 51 TYR CB C 51 42.477 42.477 42.055 0.422 18154 3334 1 5 . 1 1 51 51 TYR H H 51 7.745 7.745 8.497 -0.752 18154 3335 1 5 . 1 1 52 52 VAL N N 52 112.527 112.527 114.800 -2.273 18154 3336 1 5 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.972 0.528 18154 3337 1 5 . 1 1 52 52 VAL C C 52 173.910 173.910 174.083 -0.173 18154 3338 1 5 . 1 1 52 52 VAL CA C 52 58.696 58.696 61.068 -2.372 18154 3339 1 5 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.356 1.136 18154 3340 1 5 . 1 1 52 52 VAL H H 52 8.673 8.673 8.481 0.192 18154 3341 1 5 . 1 1 53 53 LEU N N 53 124.294 124.294 122.768 1.526 18154 3342 1 5 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.091 -0.191 18154 3343 1 5 . 1 1 53 53 LEU C C 53 175.070 175.070 174.393 0.677 18154 3344 1 5 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.758 -1.192 18154 3345 1 5 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.821 -1.591 18154 3346 1 5 . 1 1 53 53 LEU H H 53 9.137 9.137 9.052 0.085 18154 3347 1 5 . 1 1 54 54 VAL N N 54 127.850 127.850 125.452 2.398 18154 3348 1 5 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.893 -0.383 18154 3349 1 5 . 1 1 54 54 VAL C C 54 174.030 174.030 174.075 -0.045 18154 3350 1 5 . 1 1 54 54 VAL CA C 54 61.825 61.825 60.582 1.243 18154 3351 1 5 . 1 1 54 54 VAL CB C 54 32.691 32.691 34.277 -1.586 18154 3352 1 5 . 1 1 54 54 VAL H H 54 8.619 8.619 8.614 0.005 18154 3353 1 5 . 1 1 55 55 VAL N N 55 127.181 127.181 127.478 -0.297 18154 3354 1 5 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.871 0.214 18154 3355 1 5 . 1 1 55 55 VAL C C 55 174.942 174.942 174.560 0.382 18154 3356 1 5 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.724 -0.655 18154 3357 1 5 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.428 -0.206 18154 3358 1 5 . 1 1 55 55 VAL H H 55 8.578 8.578 8.824 -0.246 18154 3359 1 5 . 1 1 56 56 THR N N 56 117.420 117.420 122.551 -5.131 18154 3360 1 5 . 1 1 56 56 THR HA H 56 5.590 5.590 4.699 0.891 18154 3361 1 5 . 1 1 56 56 THR C C 56 172.640 172.640 172.927 -0.287 18154 3362 1 5 . 1 1 56 56 THR CA C 56 59.359 59.359 60.749 -1.390 18154 3363 1 5 . 1 1 56 56 THR CB C 56 70.715 70.715 70.105 0.610 18154 3364 1 5 . 1 1 56 56 THR H H 56 8.710 8.710 8.955 -0.245 18154 3365 1 5 . 1 1 57 57 SER HA H 57 5.250 5.250 5.165 0.085 18154 3366 1 5 . 1 1 57 57 SER CA C 57 57.730 57.730 57.376 0.354 18154 3367 1 5 . 1 1 57 57 SER CB C 57 64.500 64.500 64.933 -0.433 18154 3368 1 5 . 1 1 57 57 SER H H 57 8.075 8.075 8.304 -0.229 18154 3369 1 5 . 1 1 58 58 THR H H 58 7.900 7.900 8.712 -0.812 18154 3370 1 5 . 1 1 59 59 THR HA H 59 4.900 4.900 4.161 0.739 18154 3371 1 5 . 1 1 59 59 THR CA C 59 61.200 61.200 65.890 -4.690 18154 3372 1 5 . 1 1 59 59 THR CB C 59 73.400 73.400 69.290 4.110 18154 3373 1 5 . 1 1 59 59 THR H H 59 9.230 9.230 8.307 0.923 18154 3374 1 5 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.996 0.504 18154 3375 1 5 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.307 0.099 18154 3376 1 5 . 1 1 61 61 GLN C C 61 175.950 175.950 175.689 0.261 18154 3377 1 5 . 1 1 61 61 GLN CA C 61 55.350 55.350 55.600 -0.250 18154 3378 1 5 . 1 1 61 61 GLN CB C 61 29.160 29.160 29.189 -0.030 18154 3379 1 5 . 1 1 62 62 GLY N N 62 108.420 108.420 107.110 1.310 18154 3380 1 5 . 1 1 62 62 GLY C C 62 173.134 173.134 173.145 -0.011 18154 3381 1 5 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.983 0.802 18154 3382 1 5 . 1 1 62 62 GLY H H 62 8.073 8.073 7.829 0.244 18154 3383 1 5 . 1 1 63 63 ASP N N 63 118.400 118.400 119.550 -1.150 18154 3384 1 5 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.858 -0.078 18154 3385 1 5 . 1 1 63 63 ASP CA C 63 53.296 53.296 51.939 1.357 18154 3386 1 5 . 1 1 63 63 ASP CB C 63 42.740 42.740 43.973 -1.233 18154 3387 1 5 . 1 1 63 63 ASP H H 63 7.248 7.248 8.389 -1.141 18154 3388 1 5 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.641 -0.241 18154 3389 1 5 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.335 1.815 18154 3390 1 5 . 1 1 64 64 LEU CB C 64 41.687 41.687 44.434 -2.747 18154 3391 1 5 . 1 1 64 64 LEU H H 64 8.445 8.445 8.022 0.423 18154 3392 1 5 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.470 -0.177 18154 3393 1 5 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.295 0.049 18154 3394 1 5 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.862 -0.382 18154 3395 1 5 . 1 1 66 66 ASP N N 66 121.200 121.200 120.680 0.520 18154 3396 1 5 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.296 -0.036 18154 3397 1 5 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.572 1.058 18154 3398 1 5 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.709 0.091 18154 3399 1 5 . 1 1 66 66 ASP H H 66 8.605 8.605 8.666 -0.061 18154 3400 1 5 . 1 1 67 67 SER HA H 67 4.292 4.292 4.217 0.075 18154 3401 1 5 . 1 1 67 67 SER C C 67 175.650 175.650 174.940 0.710 18154 3402 1 5 . 1 1 67 67 SER CA C 67 60.500 60.500 60.407 0.093 18154 3403 1 5 . 1 1 67 67 SER CB C 67 63.530 63.530 63.767 -0.238 18154 3404 1 5 . 1 1 68 68 ILE N N 68 120.550 120.550 119.364 1.186 18154 3405 1 5 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.489 0.621 18154 3406 1 5 . 1 1 68 68 ILE C C 68 174.713 174.713 176.239 -1.526 18154 3407 1 5 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.559 -0.159 18154 3408 1 5 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.892 3.348 18154 3409 1 5 . 1 1 68 68 ILE H H 68 7.870 7.870 7.686 0.184 18154 3410 1 5 . 1 1 69 69 VAL N N 69 125.740 125.740 123.775 1.965 18154 3411 1 5 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.751 -0.006 18154 3412 1 5 . 1 1 69 69 VAL C C 69 174.500 174.500 175.051 -0.551 18154 3413 1 5 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.252 -0.702 18154 3414 1 5 . 1 1 69 69 VAL CB C 69 30.130 30.130 28.804 1.326 18154 3415 1 5 . 1 1 69 69 VAL H H 69 7.428 7.428 8.418 -0.990 18154 3416 1 5 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.350 -0.058 18154 3417 1 5 . 1 1 70 70 PRO C C 70 180.820 180.820 178.741 2.079 18154 3418 1 5 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.058 0.412 18154 3419 1 5 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.258 -0.601 18154 3420 1 5 . 1 1 71 71 LEU N N 71 119.467 119.467 119.778 -0.311 18154 3421 1 5 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.052 -0.207 18154 3422 1 5 . 1 1 71 71 LEU C C 71 176.489 176.489 178.377 -1.888 18154 3423 1 5 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.682 0.525 18154 3424 1 5 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.803 -0.317 18154 3425 1 5 . 1 1 71 71 LEU H H 71 7.918 7.918 7.523 0.395 18154 3426 1 5 . 1 1 72 72 PHE N N 72 119.361 119.361 119.532 -0.171 18154 3427 1 5 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.316 -0.171 18154 3428 1 5 . 1 1 72 72 PHE C C 72 175.968 175.968 177.090 -1.122 18154 3429 1 5 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.715 0.106 18154 3430 1 5 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.656 0.891 18154 3431 1 5 . 1 1 72 72 PHE H H 72 7.903 7.903 8.732 -0.829 18154 3432 1 5 . 1 1 73 73 GLN N N 73 116.100 116.100 116.875 -0.775 18154 3433 1 5 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.660 -0.133 18154 3434 1 5 . 1 1 73 73 GLN C C 73 177.871 177.871 178.519 -0.648 18154 3435 1 5 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.738 -0.598 18154 3436 1 5 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.442 -0.295 18154 3437 1 5 . 1 1 73 73 GLN H H 73 9.042 9.042 8.494 0.548 18154 3438 1 5 . 1 1 74 74 GLY N N 74 107.110 107.110 108.750 -1.640 18154 3439 1 5 . 1 1 74 74 GLY C C 74 175.894 175.894 176.065 -0.171 18154 3440 1 5 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.954 0.326 18154 3441 1 5 . 1 1 74 74 GLY H H 74 8.045 8.045 8.123 -0.078 18154 3442 1 5 . 1 1 75 75 ILE N N 75 123.629 123.629 122.756 0.873 18154 3443 1 5 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.322 -0.272 18154 3444 1 5 . 1 1 75 75 ILE C C 75 178.622 178.622 177.163 1.459 18154 3445 1 5 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.914 0.343 18154 3446 1 5 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.411 0.557 18154 3447 1 5 . 1 1 75 75 ILE H H 75 8.174 8.174 8.130 0.044 18154 3448 1 5 . 1 1 76 76 LYS N N 76 119.363 119.363 118.574 0.789 18154 3449 1 5 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.750 -0.445 18154 3450 1 5 . 1 1 76 76 LYS C C 76 177.909 177.909 178.276 -0.367 18154 3451 1 5 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.246 0.459 18154 3452 1 5 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.872 0.478 18154 3453 1 5 . 1 1 76 76 LYS H H 76 7.600 7.600 7.329 0.271 18154 3454 1 5 . 1 1 77 77 ASP N N 77 115.190 115.190 118.382 -3.192 18154 3455 1 5 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.568 -0.086 18154 3456 1 5 . 1 1 77 77 ASP C C 77 178.825 178.825 178.365 0.460 18154 3457 1 5 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.179 0.101 18154 3458 1 5 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.712 -0.522 18154 3459 1 5 . 1 1 77 77 ASP H H 77 8.482 8.482 8.308 0.174 18154 3460 1 5 . 1 1 78 78 SER N N 78 112.576 112.576 115.884 -3.308 18154 3461 1 5 . 1 1 78 78 SER HA H 78 4.728 4.728 4.415 0.313 18154 3462 1 5 . 1 1 78 78 SER C C 78 174.556 174.556 174.839 -0.283 18154 3463 1 5 . 1 1 78 78 SER CA C 78 60.045 60.045 60.340 -0.296 18154 3464 1 5 . 1 1 78 78 SER CB C 78 64.643 64.643 64.077 0.566 18154 3465 1 5 . 1 1 78 78 SER H H 78 8.273 8.273 8.017 0.256 18154 3466 1 5 . 1 1 79 79 LEU N N 79 120.833 120.833 121.278 -0.445 18154 3467 1 5 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.403 0.412 18154 3468 1 5 . 1 1 79 79 LEU C C 79 176.251 176.251 178.737 -2.486 18154 3469 1 5 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.304 -2.344 18154 3470 1 5 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.261 -3.065 18154 3471 1 5 . 1 1 79 79 LEU H H 79 7.025 7.025 7.747 -0.722 18154 3472 1 5 . 1 1 80 80 GLY N N 80 108.861 108.861 106.972 1.889 18154 3473 1 5 . 1 1 80 80 GLY C C 80 173.623 173.623 173.626 -0.003 18154 3474 1 5 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.430 -0.201 18154 3475 1 5 . 1 1 80 80 GLY H H 80 7.499 7.499 8.170 -0.671 18154 3476 1 5 . 1 1 81 81 PHE N N 81 121.441 121.441 119.417 2.024 18154 3477 1 5 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.694 0.366 18154 3478 1 5 . 1 1 81 81 PHE C C 81 174.411 174.411 172.435 1.976 18154 3479 1 5 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.139 0.072 18154 3480 1 5 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.961 -1.341 18154 3481 1 5 . 1 1 81 81 PHE H H 81 8.018 8.018 7.379 0.639 18154 3482 1 5 . 1 1 82 82 GLN N N 82 126.480 126.480 120.773 5.707 18154 3483 1 5 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.741 0.149 18154 3484 1 5 . 1 1 82 82 GLN C C 82 172.700 172.700 173.625 -0.925 18154 3485 1 5 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.153 2.024 18154 3486 1 5 . 1 1 82 82 GLN CB C 82 32.600 32.600 31.144 1.456 18154 3487 1 5 . 1 1 82 82 GLN H H 82 9.588 9.588 7.277 2.311 18154 3488 1 5 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.355 0.018 18154 3489 1 5 . 1 1 83 83 PRO C C 83 178.163 178.163 176.635 1.528 18154 3490 1 5 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.443 -0.752 18154 3491 1 5 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.628 -0.763 18154 3492 1 5 . 1 1 84 84 ASN N N 84 116.900 116.900 115.457 1.443 18154 3493 1 5 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.756 0.013 18154 3494 1 5 . 1 1 84 84 ASN C C 84 173.332 173.332 173.540 -0.208 18154 3495 1 5 . 1 1 84 84 ASN CA C 84 52.560 52.560 53.143 -0.583 18154 3496 1 5 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.048 -0.788 18154 3497 1 5 . 1 1 84 84 ASN H H 84 8.578 8.578 7.821 0.757 18154 3498 1 5 . 1 1 85 85 LEU N N 85 124.380 124.380 122.137 2.243 18154 3499 1 5 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.180 -0.134 18154 3500 1 5 . 1 1 85 85 LEU C C 85 175.880 175.880 175.748 0.132 18154 3501 1 5 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.932 0.910 18154 3502 1 5 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.014 -0.714 18154 3503 1 5 . 1 1 85 85 LEU H H 85 7.240 7.240 7.546 -0.306 18154 3504 1 5 . 1 1 86 86 ARG N N 86 128.715 128.715 123.968 4.747 18154 3505 1 5 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.312 0.482 18154 3506 1 5 . 1 1 86 86 ARG C C 86 175.554 175.554 174.980 0.574 18154 3507 1 5 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.519 0.923 18154 3508 1 5 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.821 -0.948 18154 3509 1 5 . 1 1 86 86 ARG H H 86 7.732 7.732 7.874 -0.142 18154 3510 1 5 . 1 1 87 87 TYR N N 87 117.420 117.420 120.339 -2.919 18154 3511 1 5 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.575 1.190 18154 3512 1 5 . 1 1 87 87 TYR C C 87 172.931 172.931 173.188 -0.257 18154 3513 1 5 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.439 -1.178 18154 3514 1 5 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.752 3.186 18154 3515 1 5 . 1 1 87 87 TYR H H 87 8.783 8.783 8.325 0.458 18154 3516 1 5 . 1 1 88 88 GLY N N 88 107.765 107.765 105.911 1.854 18154 3517 1 5 . 1 1 88 88 GLY C C 88 172.621 172.621 171.066 1.555 18154 3518 1 5 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.976 0.885 18154 3519 1 5 . 1 1 88 88 GLY H H 88 8.905 8.905 8.147 0.758 18154 3520 1 5 . 1 1 89 89 VAL N N 89 118.180 118.180 118.221 -0.041 18154 3521 1 5 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.513 0.488 18154 3522 1 5 . 1 1 89 89 VAL C C 89 172.939 172.939 173.940 -1.001 18154 3523 1 5 . 1 1 89 89 VAL CA C 89 60.999 60.999 61.426 -0.427 18154 3524 1 5 . 1 1 89 89 VAL CB C 89 36.398 36.398 36.065 0.333 18154 3525 1 5 . 1 1 89 89 VAL H H 89 7.499 7.499 8.149 -0.650 18154 3526 1 5 . 1 1 90 90 ILE N N 90 125.000 125.000 125.973 -0.973 18154 3527 1 5 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.018 0.109 18154 3528 1 5 . 1 1 90 90 ILE C C 90 173.099 173.099 173.714 -0.615 18154 3529 1 5 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.838 0.650 18154 3530 1 5 . 1 1 90 90 ILE CB C 90 40.398 40.398 39.943 0.455 18154 3531 1 5 . 1 1 90 90 ILE H H 90 8.810 8.810 8.722 0.088 18154 3532 1 5 . 1 1 91 91 ALA N N 91 129.036 129.036 129.770 -0.734 18154 3533 1 5 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.469 -0.143 18154 3534 1 5 . 1 1 91 91 ALA C C 91 174.000 174.000 175.813 -1.813 18154 3535 1 5 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.480 -0.480 18154 3536 1 5 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.322 0.778 18154 3537 1 5 . 1 1 91 91 ALA H H 91 9.253 9.253 8.832 0.421 18154 3538 1 5 . 1 1 92 92 LEU HA H 92 4.931 4.931 4.986 -0.055 18154 3539 1 5 . 1 1 92 92 LEU C C 92 177.366 177.366 176.838 0.528 18154 3540 1 5 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.389 0.528 18154 3541 1 5 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.377 -2.977 18154 3542 1 5 . 1 1 93 93 GLY N N 93 110.663 110.663 108.990 1.673 18154 3543 1 5 . 1 1 93 93 GLY C C 93 172.029 172.029 171.771 0.258 18154 3544 1 5 . 1 1 93 93 GLY CA C 93 45.730 45.730 46.006 -0.276 18154 3545 1 5 . 1 1 93 93 GLY H H 93 8.687 8.687 9.070 -0.383 18154 3546 1 5 . 1 1 94 94 ASP N N 94 119.304 119.304 121.072 -1.768 18154 3547 1 5 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.064 0.196 18154 3548 1 5 . 1 1 94 94 ASP C C 94 176.978 176.978 177.391 -0.413 18154 3549 1 5 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.106 1.501 18154 3550 1 5 . 1 1 94 94 ASP CB C 94 43.000 43.000 42.323 0.677 18154 3551 1 5 . 1 1 94 94 ASP H H 94 8.129 8.129 8.498 -0.369 18154 3552 1 5 . 1 1 95 95 SER N N 95 123.897 123.897 122.340 1.557 18154 3553 1 5 . 1 1 95 95 SER HA H 95 3.895 3.895 4.052 -0.157 18154 3554 1 5 . 1 1 95 95 SER C C 95 175.243 175.243 175.365 -0.122 18154 3555 1 5 . 1 1 95 95 SER CA C 95 60.183 60.183 59.603 0.580 18154 3556 1 5 . 1 1 95 95 SER CB C 95 61.700 61.700 62.592 -0.892 18154 3557 1 5 . 1 1 95 95 SER H H 95 8.878 8.878 8.574 0.304 18154 3558 1 5 . 1 1 96 96 SER N N 96 119.248 119.248 116.201 3.047 18154 3559 1 5 . 1 1 96 96 SER HA H 96 4.209 4.209 4.364 -0.155 18154 3560 1 5 . 1 1 96 96 SER C C 96 173.900 173.900 174.795 -0.895 18154 3561 1 5 . 1 1 96 96 SER CA C 96 60.197 60.197 59.526 0.671 18154 3562 1 5 . 1 1 96 96 SER CB C 96 63.000 63.000 63.660 -0.660 18154 3563 1 5 . 1 1 96 96 SER H H 96 9.124 9.124 8.254 0.870 18154 3564 1 5 . 1 1 97 97 TYR N N 97 120.889 120.889 121.031 -0.142 18154 3565 1 5 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.474 0.414 18154 3566 1 5 . 1 1 97 97 TYR C C 97 175.972 175.972 176.272 -0.300 18154 3567 1 5 . 1 1 97 97 TYR CA C 97 55.750 55.750 55.896 -0.146 18154 3568 1 5 . 1 1 97 97 TYR CB C 97 39.820 39.820 38.371 1.449 18154 3569 1 5 . 1 1 97 97 TYR H H 97 7.664 7.664 7.661 0.003 18154 3570 1 5 . 1 1 98 98 VAL N N 98 116.952 116.952 119.573 -2.621 18154 3571 1 5 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.988 0.072 18154 3572 1 5 . 1 1 98 98 VAL C C 98 175.969 175.969 176.397 -0.428 18154 3573 1 5 . 1 1 98 98 VAL CA C 98 62.840 62.840 62.883 -0.043 18154 3574 1 5 . 1 1 98 98 VAL CB C 98 32.600 32.600 33.009 -0.409 18154 3575 1 5 . 1 1 98 98 VAL H H 98 7.970 7.970 8.197 -0.227 18154 3576 1 5 . 1 1 99 99 ASN N N 99 118.156 118.156 117.403 0.753 18154 3577 1 5 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.389 0.122 18154 3578 1 5 . 1 1 99 99 ASN C C 99 174.329 174.329 175.880 -1.551 18154 3579 1 5 . 1 1 99 99 ASN CA C 99 53.031 53.031 54.141 -1.110 18154 3580 1 5 . 1 1 99 99 ASN CB C 99 37.238 37.238 37.637 -0.399 18154 3581 1 5 . 1 1 99 99 ASN H H 99 8.296 8.296 8.563 -0.267 18154 3582 1 5 . 1 1 100 100 PHE N N 100 118.649 118.649 119.105 -0.456 18154 3583 1 5 . 1 1 100 100 PHE HA H 100 4.415 4.415 3.962 0.453 18154 3584 1 5 . 1 1 100 100 PHE C C 100 174.400 174.400 175.595 -1.195 18154 3585 1 5 . 1 1 100 100 PHE CA C 100 58.190 58.190 60.896 -2.706 18154 3586 1 5 . 1 1 100 100 PHE CB C 100 39.679 39.679 38.027 1.652 18154 3587 1 5 . 1 1 100 100 PHE H H 100 7.855 7.855 8.075 -0.220 18154 3588 1 5 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.320 -0.735 18154 3589 1 5 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.691 5.049 18154 3590 1 5 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.192 -1.192 18154 3591 1 5 . 1 1 101 101 CYS H H 101 9.240 9.240 8.078 1.162 18154 3592 1 5 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.356 -0.136 18154 3593 1 5 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.747 0.453 18154 3594 1 5 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.702 -0.102 18154 3595 1 5 . 1 1 102 102 ASN H H 102 8.300 8.300 8.524 -0.224 18154 3596 1 5 . 1 1 103 103 GLY C C 103 175.690 175.690 175.759 -0.069 18154 3597 1 5 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.023 0.327 18154 3598 1 5 . 1 1 104 104 GLY N N 104 106.150 106.150 109.673 -3.523 18154 3599 1 5 . 1 1 104 104 GLY C C 104 174.570 174.570 176.191 -1.621 18154 3600 1 5 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.392 0.959 18154 3601 1 5 . 1 1 104 104 GLY H H 104 7.108 7.108 7.664 -0.556 18154 3602 1 5 . 1 1 105 105 LYS N N 105 120.732 120.732 122.443 -1.711 18154 3603 1 5 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.954 -0.017 18154 3604 1 5 . 1 1 105 105 LYS C C 105 179.706 179.706 179.011 0.695 18154 3605 1 5 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.966 0.342 18154 3606 1 5 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.232 -0.435 18154 3607 1 5 . 1 1 105 105 LYS H H 105 7.708 7.708 7.616 0.092 18154 3608 1 5 . 1 1 106 106 GLN N N 106 119.087 119.087 118.695 0.392 18154 3609 1 5 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.099 0.043 18154 3610 1 5 . 1 1 106 106 GLN C C 106 179.418 179.418 178.457 0.961 18154 3611 1 5 . 1 1 106 106 GLN CA C 106 58.875 58.875 59.147 -0.272 18154 3612 1 5 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.626 0.133 18154 3613 1 5 . 1 1 106 106 GLN H H 106 8.738 8.738 8.623 0.115 18154 3614 1 5 . 1 1 107 107 PHE N N 107 123.088 123.088 120.330 2.758 18154 3615 1 5 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.409 -0.159 18154 3616 1 5 . 1 1 107 107 PHE C C 107 178.403 178.403 177.687 0.716 18154 3617 1 5 . 1 1 107 107 PHE CA C 107 62.185 62.185 62.127 0.058 18154 3618 1 5 . 1 1 107 107 PHE CB C 107 39.451 39.451 39.162 0.289 18154 3619 1 5 . 1 1 107 107 PHE H H 107 7.922 7.922 7.968 -0.046 18154 3620 1 5 . 1 1 108 108 ASP N N 108 117.118 117.118 119.983 -2.865 18154 3621 1 5 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.658 -0.284 18154 3622 1 5 . 1 1 108 108 ASP C C 108 176.973 176.973 178.349 -1.376 18154 3623 1 5 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.490 0.939 18154 3624 1 5 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.213 2.910 18154 3625 1 5 . 1 1 108 108 ASP H H 108 8.305 8.305 8.293 0.012 18154 3626 1 5 . 1 1 109 109 ALA N N 109 118.590 118.590 122.640 -4.050 18154 3627 1 5 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.122 -0.072 18154 3628 1 5 . 1 1 109 109 ALA C C 109 180.430 180.430 179.630 0.800 18154 3629 1 5 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.082 0.114 18154 3630 1 5 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.357 -0.250 18154 3631 1 5 . 1 1 109 109 ALA H H 109 8.332 8.332 8.236 0.096 18154 3632 1 5 . 1 1 110 110 LEU N N 110 120.402 120.402 120.569 -0.167 18154 3633 1 5 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.994 0.091 18154 3634 1 5 . 1 1 110 110 LEU C C 110 177.801 177.801 179.009 -1.208 18154 3635 1 5 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.586 0.054 18154 3636 1 5 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.842 0.914 18154 3637 1 5 . 1 1 110 110 LEU H H 110 7.868 7.868 7.923 -0.055 18154 3638 1 5 . 1 1 111 111 LEU N N 111 116.945 116.945 116.791 0.154 18154 3639 1 5 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.730 -0.012 18154 3640 1 5 . 1 1 111 111 LEU C C 111 179.838 179.838 179.076 0.762 18154 3641 1 5 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.897 0.068 18154 3642 1 5 . 1 1 111 111 LEU CB C 111 38.860 38.860 40.988 -2.128 18154 3643 1 5 . 1 1 111 111 LEU H H 111 7.704 7.704 7.480 0.224 18154 3644 1 5 . 1 1 112 112 GLN N N 112 118.484 118.484 117.696 0.788 18154 3645 1 5 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.170 -0.029 18154 3646 1 5 . 1 1 112 112 GLN C C 112 181.218 181.218 178.946 2.272 18154 3647 1 5 . 1 1 112 112 GLN CA C 112 58.966 58.966 58.136 0.830 18154 3648 1 5 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.186 1.074 18154 3649 1 5 . 1 1 112 112 GLN H H 112 8.441 8.441 7.714 0.727 18154 3650 1 5 . 1 1 113 113 GLU N N 113 122.905 122.905 118.733 4.172 18154 3651 1 5 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.041 0.140 18154 3652 1 5 . 1 1 113 113 GLU C C 113 178.001 178.001 178.149 -0.148 18154 3653 1 5 . 1 1 113 113 GLU CA C 113 58.985 58.985 58.410 0.575 18154 3654 1 5 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.354 -0.084 18154 3655 1 5 . 1 1 113 113 GLU H H 113 8.305 8.305 8.215 0.090 18154 3656 1 5 . 1 1 114 114 GLN N N 114 117.332 117.332 117.711 -0.379 18154 3657 1 5 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.195 0.400 18154 3658 1 5 . 1 1 114 114 GLN C C 114 174.538 174.538 177.276 -2.738 18154 3659 1 5 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.828 -1.411 18154 3660 1 5 . 1 1 114 114 GLN CB C 114 25.830 25.830 29.941 -4.111 18154 3661 1 5 . 1 1 114 114 GLN H H 114 7.520 7.520 7.547 -0.027 18154 3662 1 5 . 1 1 115 115 SER N N 115 109.100 109.100 108.364 0.736 18154 3663 1 5 . 1 1 115 115 SER HA H 115 4.200 4.200 4.448 -0.248 18154 3664 1 5 . 1 1 115 115 SER C C 115 172.302 172.302 173.652 -1.350 18154 3665 1 5 . 1 1 115 115 SER CA C 115 60.400 60.400 58.270 2.130 18154 3666 1 5 . 1 1 115 115 SER CB C 115 61.325 61.325 64.396 -3.071 18154 3667 1 5 . 1 1 115 115 SER H H 115 7.950 7.950 8.228 -0.278 18154 3668 1 5 . 1 1 116 116 ALA N N 116 121.059 121.059 126.292 -5.233 18154 3669 1 5 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.124 0.670 18154 3670 1 5 . 1 1 116 116 ALA C C 116 176.774 176.774 176.257 0.517 18154 3671 1 5 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.800 -1.109 18154 3672 1 5 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.062 1.303 18154 3673 1 5 . 1 1 116 116 ALA H H 116 7.813 7.813 7.653 0.160 18154 3674 1 5 . 1 1 117 117 GLN N N 117 118.000 118.000 120.121 -2.121 18154 3675 1 5 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.595 0.023 18154 3676 1 5 . 1 1 117 117 GLN C C 117 173.769 173.769 175.425 -1.656 18154 3677 1 5 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.970 -0.414 18154 3678 1 5 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.253 -0.518 18154 3679 1 5 . 1 1 117 117 GLN H H 117 8.591 8.591 8.405 0.186 18154 3680 1 5 . 1 1 118 118 ARG N N 118 127.947 127.947 121.696 6.251 18154 3681 1 5 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.241 -1.933 18154 3682 1 5 . 1 1 118 118 ARG C C 118 176.758 176.758 175.545 1.213 18154 3683 1 5 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.871 1.315 18154 3684 1 5 . 1 1 118 118 ARG CB C 118 30.310 30.310 33.456 -3.147 18154 3685 1 5 . 1 1 118 118 ARG H H 118 8.659 8.659 8.659 0.000 18154 3686 1 5 . 1 1 119 119 VAL N N 119 131.939 131.939 121.637 10.302 18154 3687 1 5 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.503 -0.390 18154 3688 1 5 . 1 1 119 119 VAL C C 119 176.775 176.775 176.061 0.714 18154 3689 1 5 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.398 0.776 18154 3690 1 5 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.889 -1.495 18154 3691 1 5 . 1 1 119 119 VAL H H 119 9.520 9.520 8.839 0.681 18154 3692 1 5 . 1 1 120 120 GLY N N 120 116.074 116.074 115.067 1.007 18154 3693 1 5 . 1 1 120 120 GLY C C 120 172.757 172.757 173.516 -0.759 18154 3694 1 5 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.335 -1.437 18154 3695 1 5 . 1 1 120 120 GLY H H 120 8.755 8.755 8.517 0.238 18154 3696 1 5 . 1 1 121 121 GLU N N 121 118.754 118.754 121.261 -2.507 18154 3697 1 5 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.776 -0.110 18154 3698 1 5 . 1 1 121 121 GLU C C 121 177.419 177.419 177.034 0.385 18154 3699 1 5 . 1 1 121 121 GLU CA C 121 54.491 54.491 55.021 -0.530 18154 3700 1 5 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.944 0.554 18154 3701 1 5 . 1 1 121 121 GLU H H 121 8.594 8.594 8.443 0.151 18154 3702 1 5 . 1 1 122 122 MET N N 122 122.642 122.642 122.032 0.610 18154 3703 1 5 . 1 1 122 122 MET HA H 122 4.415 4.415 4.833 -0.418 18154 3704 1 5 . 1 1 122 122 MET C C 122 175.351 175.351 175.000 0.351 18154 3705 1 5 . 1 1 122 122 MET CA C 122 57.024 57.024 55.034 1.990 18154 3706 1 5 . 1 1 122 122 MET CB C 122 34.210 34.210 33.253 0.957 18154 3707 1 5 . 1 1 122 122 MET H H 122 8.892 8.892 8.542 0.350 18154 3708 1 5 . 1 1 123 123 LEU N N 123 129.535 129.535 122.073 7.462 18154 3709 1 5 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.389 -0.039 18154 3710 1 5 . 1 1 123 123 LEU C C 123 173.124 173.124 174.304 -1.180 18154 3711 1 5 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.208 0.531 18154 3712 1 5 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.407 -1.329 18154 3713 1 5 . 1 1 123 123 LEU H H 123 7.868 7.868 7.378 0.490 18154 3714 1 5 . 1 1 124 124 LEU N N 124 127.120 127.120 125.973 1.147 18154 3715 1 5 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.692 0.363 18154 3716 1 5 . 1 1 124 124 LEU C C 124 176.379 176.379 176.109 0.270 18154 3717 1 5 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.036 0.514 18154 3718 1 5 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.895 -1.517 18154 3719 1 5 . 1 1 124 124 LEU H H 124 8.346 8.346 8.188 0.158 18154 3720 1 5 . 1 1 125 125 ILE N N 125 124.337 124.337 124.747 -0.410 18154 3721 1 5 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.191 -0.011 18154 3722 1 5 . 1 1 125 125 ILE C C 125 174.303 174.303 174.647 -0.344 18154 3723 1 5 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.711 0.389 18154 3724 1 5 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.533 -0.591 18154 3725 1 5 . 1 1 125 125 ILE H H 125 8.974 8.974 8.534 0.440 18154 3726 1 5 . 1 1 126 126 ASP N N 126 127.113 127.113 127.583 -0.470 18154 3727 1 5 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.351 -0.236 18154 3728 1 5 . 1 1 126 126 ASP C C 126 176.766 176.766 176.357 0.409 18154 3729 1 5 . 1 1 126 126 ASP CA C 126 51.847 51.847 51.926 -0.079 18154 3730 1 5 . 1 1 126 126 ASP CB C 126 41.100 41.100 39.773 1.327 18154 3731 1 5 . 1 1 126 126 ASP H H 126 9.397 9.397 8.834 0.563 18154 3732 1 5 . 1 1 127 127 ALA N N 127 131.178 131.178 128.715 2.463 18154 3733 1 5 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.479 -0.163 18154 3734 1 5 . 1 1 127 127 ALA C C 127 178.530 178.530 178.566 -0.036 18154 3735 1 5 . 1 1 127 127 ALA CA C 127 53.847 53.847 53.828 0.020 18154 3736 1 5 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.070 -0.278 18154 3737 1 5 . 1 1 127 127 ALA H H 127 9.696 9.696 8.958 0.738 18154 3738 1 5 . 1 1 128 128 SER N N 128 112.064 112.064 113.239 -1.175 18154 3739 1 5 . 1 1 128 128 SER HA H 128 4.224 4.224 4.157 0.067 18154 3740 1 5 . 1 1 128 128 SER C C 128 175.000 175.000 175.618 -0.618 18154 3741 1 5 . 1 1 128 128 SER CA C 128 61.246 61.246 60.672 0.573 18154 3742 1 5 . 1 1 128 128 SER CB C 128 63.310 63.310 63.077 0.233 18154 3743 1 5 . 1 1 128 128 SER H H 128 8.373 8.373 8.318 0.055 18154 3744 1 5 . 1 1 129 129 GLU N N 129 119.468 119.468 119.237 0.231 18154 3745 1 5 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.483 -0.083 18154 3746 1 5 . 1 1 129 129 GLU C C 129 175.947 175.947 176.206 -0.259 18154 3747 1 5 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.476 -0.061 18154 3748 1 5 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.919 -0.189 18154 3749 1 5 . 1 1 129 129 GLU H H 129 7.267 7.267 7.808 -0.541 18154 3750 1 5 . 1 1 130 130 ASN N N 130 115.968 115.968 118.548 -2.580 18154 3751 1 5 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.128 0.038 18154 3752 1 5 . 1 1 130 130 ASN C C 130 172.000 172.000 173.935 -1.935 18154 3753 1 5 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.521 -0.298 18154 3754 1 5 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.857 -0.191 18154 3755 1 5 . 1 1 130 130 ASN H H 130 8.072 8.072 8.271 -0.199 18154 3756 1 5 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.498 0.052 18154 3757 1 5 . 1 1 131 131 PRO C C 131 176.400 176.400 176.128 0.272 18154 3758 1 5 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.728 -0.228 18154 3759 1 5 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.666 0.634 18154 3760 1 5 . 1 1 132 132 GLU N N 132 119.000 119.000 118.928 0.072 18154 3761 1 5 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.892 0.128 18154 3762 1 5 . 1 1 132 132 GLU C C 132 174.200 174.200 175.237 -1.037 18154 3763 1 5 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.005 -0.005 18154 3764 1 5 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.345 0.355 18154 3765 1 5 . 1 1 132 132 GLU H H 132 7.690 7.690 8.126 -0.435 18154 3766 1 5 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.215 -0.215 18154 3767 1 5 . 1 1 133 133 PRO C C 133 177.391 177.391 178.055 -0.664 18154 3768 1 5 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.214 0.255 18154 3769 1 5 . 1 1 133 133 PRO CB C 133 32.145 32.145 32.005 0.140 18154 3770 1 5 . 1 1 134 134 GLU N N 134 122.846 122.846 117.727 5.119 18154 3771 1 5 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.234 0.986 18154 3772 1 5 . 1 1 134 134 GLU C C 134 178.385 178.385 178.639 -0.254 18154 3773 1 5 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.394 -1.802 18154 3774 1 5 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.196 -1.606 18154 3775 1 5 . 1 1 134 134 GLU H H 134 10.707 10.707 8.870 1.837 18154 3776 1 5 . 1 1 135 135 THR N N 135 113.016 113.016 111.328 1.688 18154 3777 1 5 . 1 1 135 135 THR HA H 135 4.182 4.182 4.200 -0.018 18154 3778 1 5 . 1 1 135 135 THR C C 135 176.460 176.460 175.858 0.602 18154 3779 1 5 . 1 1 135 135 THR CA C 135 64.752 64.752 64.926 -0.174 18154 3780 1 5 . 1 1 135 135 THR CB C 135 69.248 69.248 68.896 0.352 18154 3781 1 5 . 1 1 135 135 THR H H 135 8.168 8.168 8.033 0.135 18154 3782 1 5 . 1 1 136 136 GLU N N 136 118.978 118.978 121.328 -2.350 18154 3783 1 5 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.512 0.052 18154 3784 1 5 . 1 1 136 136 GLU C C 136 178.370 178.370 178.583 -0.213 18154 3785 1 5 . 1 1 136 136 GLU CA C 136 56.913 56.913 57.852 -0.939 18154 3786 1 5 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.531 1.569 18154 3787 1 5 . 1 1 136 136 GLU H H 136 7.680 7.680 7.683 -0.003 18154 3788 1 5 . 1 1 137 137 SER N N 137 116.501 116.501 116.139 0.362 18154 3789 1 5 . 1 1 137 137 SER HA H 137 4.033 4.033 4.175 -0.142 18154 3790 1 5 . 1 1 137 137 SER C C 137 175.670 175.670 176.618 -0.948 18154 3791 1 5 . 1 1 137 137 SER CA C 137 62.330 62.330 62.135 0.195 18154 3792 1 5 . 1 1 137 137 SER CB C 137 61.380 61.380 62.945 -1.565 18154 3793 1 5 . 1 1 137 137 SER H H 137 8.824 8.824 8.424 0.400 18154 3794 1 5 . 1 1 138 138 ASN N N 138 123.517 123.517 121.235 2.282 18154 3795 1 5 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.722 -0.131 18154 3796 1 5 . 1 1 138 138 ASN C C 138 175.700 175.700 175.382 0.318 18154 3797 1 5 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.739 -0.253 18154 3798 1 5 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.053 -2.800 18154 3799 1 5 . 1 1 138 138 ASN H H 138 8.564 8.564 8.226 0.338 18154 3800 1 5 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.351 0.104 18154 3801 1 5 . 1 1 139 139 PRO C C 139 180.033 180.033 178.433 1.600 18154 3802 1 5 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.246 0.364 18154 3803 1 5 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.145 -0.610 18154 3804 1 5 . 1 1 140 140 TRP N N 140 119.700 119.700 121.746 -2.046 18154 3805 1 5 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.395 -0.062 18154 3806 1 5 . 1 1 140 140 TRP C C 140 179.195 179.195 178.014 1.181 18154 3807 1 5 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.775 0.405 18154 3808 1 5 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.560 1.191 18154 3809 1 5 . 1 1 140 140 TRP H H 140 7.057 7.057 7.687 -0.630 18154 3810 1 5 . 1 1 141 141 VAL N N 141 122.879 122.879 119.368 3.511 18154 3811 1 5 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.677 0.059 18154 3812 1 5 . 1 1 141 141 VAL C C 141 177.416 177.416 178.562 -1.146 18154 3813 1 5 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.091 -0.375 18154 3814 1 5 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.571 -0.139 18154 3815 1 5 . 1 1 141 141 VAL H H 141 9.629 9.629 8.794 0.835 18154 3816 1 5 . 1 1 142 142 GLU N N 142 119.965 119.965 118.974 0.991 18154 3817 1 5 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.039 -0.307 18154 3818 1 5 . 1 1 142 142 GLU C C 142 178.800 178.800 178.698 0.102 18154 3819 1 5 . 1 1 142 142 GLU CA C 142 59.332 59.332 58.951 0.381 18154 3820 1 5 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.339 0.221 18154 3821 1 5 . 1 1 142 142 GLU H H 142 8.551 8.551 8.136 0.415 18154 3822 1 5 . 1 1 143 143 GLN N N 143 115.364 115.364 118.730 -3.366 18154 3823 1 5 . 1 1 143 143 GLN HA H 143 4.290 4.290 4.140 0.150 18154 3824 1 5 . 1 1 143 143 GLN C C 143 177.840 177.840 177.903 -0.063 18154 3825 1 5 . 1 1 143 143 GLN CA C 143 59.363 59.363 57.970 1.393 18154 3826 1 5 . 1 1 143 143 GLN CB C 143 29.362 29.362 28.893 0.469 18154 3827 1 5 . 1 1 143 143 GLN H H 143 7.380 7.380 7.848 -0.468 18154 3828 1 5 . 1 1 144 144 TRP N N 144 126.680 126.680 122.756 3.924 18154 3829 1 5 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.926 -0.593 18154 3830 1 5 . 1 1 144 144 TRP C C 144 178.200 178.200 178.417 -0.217 18154 3831 1 5 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.649 2.311 18154 3832 1 5 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.180 0.345 18154 3833 1 5 . 1 1 144 144 TRP H H 144 9.215 9.215 8.625 0.590 18154 3834 1 5 . 1 1 145 145 GLY N N 145 100.130 100.130 105.511 -5.381 18154 3835 1 5 . 1 1 145 145 GLY C C 145 177.391 177.391 175.474 1.917 18154 3836 1 5 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.315 -0.555 18154 3837 1 5 . 1 1 145 145 GLY H H 145 8.834 8.834 8.608 0.226 18154 3838 1 5 . 1 1 146 146 THR N N 146 110.831 110.831 114.162 -3.331 18154 3839 1 5 . 1 1 146 146 THR HA H 146 4.319 4.319 4.055 0.264 18154 3840 1 5 . 1 1 146 146 THR C C 146 175.574 175.574 175.485 0.089 18154 3841 1 5 . 1 1 146 146 THR CA C 146 63.260 63.260 64.418 -1.158 18154 3842 1 5 . 1 1 146 146 THR CB C 146 69.660 69.660 68.632 1.028 18154 3843 1 5 . 1 1 146 146 THR H H 146 7.594 7.594 7.660 -0.066 18154 3844 1 5 . 1 1 147 147 LEU N N 147 120.678 120.678 119.467 1.211 18154 3845 1 5 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.179 -0.121 18154 3846 1 5 . 1 1 147 147 LEU C C 147 177.176 177.176 176.716 0.460 18154 3847 1 5 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.823 -1.509 18154 3848 1 5 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.294 -0.066 18154 3849 1 5 . 1 1 147 147 LEU H H 147 7.458 7.458 7.552 -0.094 18154 3850 1 5 . 1 1 148 148 LEU N N 148 117.062 117.062 118.032 -0.970 18154 3851 1 5 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.764 -0.046 18154 3852 1 5 . 1 1 148 148 LEU C C 148 175.570 175.570 176.925 -1.355 18154 3853 1 5 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.011 -0.060 18154 3854 1 5 . 1 1 148 148 LEU CB C 148 39.600 39.600 40.851 -1.251 18154 3855 1 5 . 1 1 148 148 LEU H H 148 6.482 6.482 7.032 -0.550 18154 3856 1 6 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.694 -0.465 18154 3857 1 6 . 1 1 2 2 ALA C C 2 173.315 173.315 175.580 -2.265 18154 3858 1 6 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.467 0.114 18154 3859 1 6 . 1 1 2 2 ALA CB C 2 20.223 20.223 21.031 -0.808 18154 3860 1 6 . 1 1 3 3 GLU N N 3 121.874 121.874 120.386 1.488 18154 3861 1 6 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.584 -0.310 18154 3862 1 6 . 1 1 3 3 GLU C C 3 174.545 174.545 175.482 -0.937 18154 3863 1 6 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.041 0.809 18154 3864 1 6 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.356 -0.636 18154 3865 1 6 . 1 1 3 3 GLU H H 3 8.696 8.696 8.839 -0.143 18154 3866 1 6 . 1 1 4 4 ILE N N 4 120.672 120.672 125.381 -4.709 18154 3867 1 6 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.786 0.323 18154 3868 1 6 . 1 1 4 4 ILE C C 4 175.463 175.463 174.805 0.658 18154 3869 1 6 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.053 -0.220 18154 3870 1 6 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.880 2.790 18154 3871 1 6 . 1 1 4 4 ILE H H 4 8.860 8.860 9.324 -0.464 18154 3872 1 6 . 1 1 5 5 GLY N N 5 119.310 119.310 114.332 4.978 18154 3873 1 6 . 1 1 5 5 GLY C C 5 171.260 171.260 172.825 -1.565 18154 3874 1 6 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.282 0.538 18154 3875 1 6 . 1 1 5 5 GLY H H 5 8.469 8.469 8.084 0.385 18154 3876 1 6 . 1 1 6 6 ILE N N 6 126.915 126.915 125.811 1.104 18154 3877 1 6 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.020 0.170 18154 3878 1 6 . 1 1 6 6 ILE C C 6 173.901 173.901 174.455 -0.554 18154 3879 1 6 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.621 -0.621 18154 3880 1 6 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.948 -1.948 18154 3881 1 6 . 1 1 6 6 ILE H H 6 9.056 9.056 9.137 -0.081 18154 3882 1 6 . 1 1 7 7 PHE N N 7 127.354 127.354 127.225 0.129 18154 3883 1 6 . 1 1 7 7 PHE HA H 7 4.512 4.512 4.998 -0.486 18154 3884 1 6 . 1 1 7 7 PHE C C 7 174.230 174.230 174.740 -0.510 18154 3885 1 6 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.552 1.858 18154 3886 1 6 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.688 1.040 18154 3887 1 6 . 1 1 7 7 PHE H H 7 8.960 8.960 9.388 -0.428 18154 3888 1 6 . 1 1 8 8 VAL HA H 8 5.060 5.060 4.755 0.305 18154 3889 1 6 . 1 1 8 8 VAL C C 8 175.450 175.450 175.304 0.146 18154 3890 1 6 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.994 0.206 18154 3891 1 6 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.510 0.927 18154 3892 1 6 . 1 1 9 9 GLY N N 9 115.000 115.000 115.588 -0.588 18154 3893 1 6 . 1 1 9 9 GLY C C 9 173.150 173.150 173.996 -0.846 18154 3894 1 6 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.829 0.171 18154 3895 1 6 . 1 1 9 9 GLY H H 9 9.393 9.393 8.918 0.475 18154 3896 1 6 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.261 0.434 18154 3897 1 6 . 1 1 12 12 TYR C C 12 176.560 176.560 177.407 -0.847 18154 3898 1 6 . 1 1 12 12 TYR CA C 12 57.750 57.750 60.598 -2.848 18154 3899 1 6 . 1 1 12 12 TYR CB C 12 38.000 38.000 39.041 -1.041 18154 3900 1 6 . 1 1 13 13 GLY N N 13 109.870 109.870 114.394 -4.524 18154 3901 1 6 . 1 1 13 13 GLY C C 13 175.930 175.930 173.770 2.160 18154 3902 1 6 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.645 1.355 18154 3903 1 6 . 1 1 13 13 GLY H H 13 8.500 8.500 7.902 0.598 18154 3904 1 6 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.545 -0.315 18154 3905 1 6 . 1 1 17 17 LEU C C 17 179.210 179.210 177.596 1.614 18154 3906 1 6 . 1 1 17 17 LEU CA C 17 58.400 58.400 55.855 2.545 18154 3907 1 6 . 1 1 17 17 LEU CB C 17 41.300 41.300 42.603 -1.303 18154 3908 1 6 . 1 1 18 18 VAL N N 18 117.231 117.231 121.018 -3.787 18154 3909 1 6 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.721 -0.398 18154 3910 1 6 . 1 1 18 18 VAL C C 18 178.460 178.460 177.773 0.687 18154 3911 1 6 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.082 0.784 18154 3912 1 6 . 1 1 18 18 VAL CB C 18 31.460 31.460 31.022 0.438 18154 3913 1 6 . 1 1 18 18 VAL H H 18 7.645 7.645 8.119 -0.474 18154 3914 1 6 . 1 1 19 19 ALA N N 19 121.820 121.820 121.752 0.068 18154 3915 1 6 . 1 1 19 19 ALA HA H 19 3.816 3.816 4.072 -0.256 18154 3916 1 6 . 1 1 19 19 ALA C C 19 178.180 178.180 179.791 -1.611 18154 3917 1 6 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.269 0.307 18154 3918 1 6 . 1 1 19 19 ALA CB C 19 20.000 20.000 17.910 2.090 18154 3919 1 6 . 1 1 19 19 ALA H H 19 8.010 8.010 8.479 -0.469 18154 3920 1 6 . 1 1 20 20 GLU N N 20 118.960 118.960 118.235 0.725 18154 3921 1 6 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.020 -0.004 18154 3922 1 6 . 1 1 20 20 GLU C C 20 180.950 180.950 179.345 1.605 18154 3923 1 6 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.032 0.634 18154 3924 1 6 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.379 -0.079 18154 3925 1 6 . 1 1 20 20 GLU H H 20 8.700 8.700 7.983 0.717 18154 3926 1 6 . 1 1 21 21 GLU N N 21 121.371 121.371 119.641 1.730 18154 3927 1 6 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.076 -0.032 18154 3928 1 6 . 1 1 21 21 GLU C C 21 179.419 179.419 178.805 0.614 18154 3929 1 6 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.244 0.066 18154 3930 1 6 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.291 0.270 18154 3931 1 6 . 1 1 21 21 GLU H H 21 8.632 8.632 7.876 0.756 18154 3932 1 6 . 1 1 22 22 ALA N N 22 121.329 121.329 122.794 -1.465 18154 3933 1 6 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.085 -0.027 18154 3934 1 6 . 1 1 22 22 ALA C C 22 178.823 178.823 179.383 -0.560 18154 3935 1 6 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.649 -0.972 18154 3936 1 6 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.131 -0.488 18154 3937 1 6 . 1 1 22 22 ALA H H 22 8.182 8.182 8.609 -0.427 18154 3938 1 6 . 1 1 23 23 GLU N N 23 119.035 119.035 119.577 -0.542 18154 3939 1 6 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.037 -0.633 18154 3940 1 6 . 1 1 23 23 GLU C C 23 178.375 178.375 178.648 -0.273 18154 3941 1 6 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.754 0.554 18154 3942 1 6 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.526 -0.596 18154 3943 1 6 . 1 1 23 23 GLU H H 23 8.387 8.387 8.371 0.016 18154 3944 1 6 . 1 1 24 24 ALA N N 24 122.207 122.207 122.340 -0.133 18154 3945 1 6 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.104 -0.074 18154 3946 1 6 . 1 1 24 24 ALA C C 24 181.132 181.132 179.925 1.207 18154 3947 1 6 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.086 0.401 18154 3948 1 6 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.594 -0.594 18154 3949 1 6 . 1 1 24 24 ALA H H 24 7.535 7.535 7.932 -0.397 18154 3950 1 6 . 1 1 25 25 ILE N N 25 121.059 121.059 120.077 0.982 18154 3951 1 6 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.737 -0.073 18154 3952 1 6 . 1 1 25 25 ILE C C 25 178.419 178.419 177.899 0.520 18154 3953 1 6 . 1 1 25 25 ILE CA C 25 65.108 65.108 65.937 -0.829 18154 3954 1 6 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.181 0.782 18154 3955 1 6 . 1 1 25 25 ILE H H 25 7.800 7.800 8.534 -0.734 18154 3956 1 6 . 1 1 26 26 LEU N N 26 119.307 119.307 120.780 -1.473 18154 3957 1 6 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.105 0.071 18154 3958 1 6 . 1 1 26 26 LEU C C 26 179.863 179.863 179.568 0.295 18154 3959 1 6 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.302 -0.356 18154 3960 1 6 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.159 -0.019 18154 3961 1 6 . 1 1 26 26 LEU H H 26 8.509 8.509 8.649 -0.140 18154 3962 1 6 . 1 1 27 27 THR N N 27 117.830 117.830 115.909 1.921 18154 3963 1 6 . 1 1 27 27 THR HA H 27 4.524 4.524 4.332 0.192 18154 3964 1 6 . 1 1 27 27 THR C C 27 179.027 179.027 176.373 2.654 18154 3965 1 6 . 1 1 27 27 THR CA C 27 66.000 66.000 66.564 -0.563 18154 3966 1 6 . 1 1 27 27 THR CB C 27 68.600 68.600 68.646 -0.046 18154 3967 1 6 . 1 1 27 27 THR H H 27 8.796 8.796 8.514 0.282 18154 3968 1 6 . 1 1 28 28 ALA N N 28 126.313 126.313 122.524 3.789 18154 3969 1 6 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.140 0.065 18154 3970 1 6 . 1 1 28 28 ALA C C 28 179.360 179.360 179.648 -0.288 18154 3971 1 6 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.279 0.721 18154 3972 1 6 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.209 -0.558 18154 3973 1 6 . 1 1 28 28 ALA H H 28 7.832 7.832 7.873 -0.041 18154 3974 1 6 . 1 1 29 29 GLN N N 29 115.527 115.527 116.406 -0.879 18154 3975 1 6 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.155 -0.028 18154 3976 1 6 . 1 1 29 29 GLN C C 29 176.547 176.547 176.959 -0.412 18154 3977 1 6 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.746 -0.183 18154 3978 1 6 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.632 -0.222 18154 3979 1 6 . 1 1 29 29 GLN H H 29 7.353 7.353 8.269 -0.916 18154 3980 1 6 . 1 1 30 30 GLY N N 30 105.961 105.961 106.382 -0.421 18154 3981 1 6 . 1 1 30 30 GLY C C 30 174.785 174.785 173.441 1.344 18154 3982 1 6 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.600 -0.100 18154 3983 1 6 . 1 1 30 30 GLY H H 30 7.923 7.923 7.660 0.263 18154 3984 1 6 . 1 1 31 31 HIS N N 31 119.471 119.471 118.792 0.679 18154 3985 1 6 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.845 -0.010 18154 3986 1 6 . 1 1 31 31 HIS C C 31 174.665 174.665 173.936 0.729 18154 3987 1 6 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.837 1.005 18154 3988 1 6 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.774 0.226 18154 3989 1 6 . 1 1 31 31 HIS H H 31 7.558 7.558 8.203 -0.645 18154 3990 1 6 . 1 1 32 32 LYS N N 32 121.854 121.854 121.088 0.766 18154 3991 1 6 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.592 0.131 18154 3992 1 6 . 1 1 32 32 LYS C C 32 174.466 174.466 174.409 0.057 18154 3993 1 6 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.572 0.293 18154 3994 1 6 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.685 0.275 18154 3995 1 6 . 1 1 32 32 LYS H H 32 8.665 8.665 8.937 -0.272 18154 3996 1 6 . 1 1 33 33 ALA N N 33 130.188 130.188 129.262 0.926 18154 3997 1 6 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.646 0.172 18154 3998 1 6 . 1 1 33 33 ALA C C 33 175.567 175.567 176.424 -0.857 18154 3999 1 6 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.569 -0.593 18154 4000 1 6 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.637 0.660 18154 4001 1 6 . 1 1 33 33 ALA H H 33 8.837 8.837 7.941 0.896 18154 4002 1 6 . 1 1 34 34 THR N N 34 117.164 117.164 116.992 0.172 18154 4003 1 6 . 1 1 34 34 THR HA H 34 4.359 4.359 4.569 -0.210 18154 4004 1 6 . 1 1 34 34 THR C C 34 171.315 171.315 172.798 -1.483 18154 4005 1 6 . 1 1 34 34 THR CA C 34 61.840 61.840 60.811 1.029 18154 4006 1 6 . 1 1 34 34 THR CB C 34 71.800 71.800 71.938 -0.138 18154 4007 1 6 . 1 1 34 34 THR H H 34 7.826 7.826 8.800 -0.974 18154 4008 1 6 . 1 1 35 35 VAL N N 35 126.650 126.650 122.643 4.007 18154 4009 1 6 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.419 -0.236 18154 4010 1 6 . 1 1 35 35 VAL C C 35 174.675 174.675 175.083 -0.408 18154 4011 1 6 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.820 0.108 18154 4012 1 6 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.655 -0.005 18154 4013 1 6 . 1 1 35 35 VAL H H 35 8.496 8.496 8.360 0.136 18154 4014 1 6 . 1 1 36 36 PHE N N 36 127.630 127.630 126.963 0.667 18154 4015 1 6 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.704 -0.153 18154 4016 1 6 . 1 1 36 36 PHE C C 36 174.347 174.347 174.591 -0.244 18154 4017 1 6 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.742 0.740 18154 4018 1 6 . 1 1 36 36 PHE CB C 36 40.165 40.165 41.564 -1.399 18154 4019 1 6 . 1 1 36 36 PHE H H 36 9.164 9.164 9.162 0.002 18154 4020 1 6 . 1 1 37 37 GLU N N 37 123.516 123.516 123.468 0.048 18154 4021 1 6 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.573 -0.103 18154 4022 1 6 . 1 1 37 37 GLU C C 37 175.954 175.954 175.816 0.138 18154 4023 1 6 . 1 1 37 37 GLU CA C 37 55.719 55.719 55.717 0.002 18154 4024 1 6 . 1 1 37 37 GLU CB C 37 31.460 31.460 32.156 -0.696 18154 4025 1 6 . 1 1 37 37 GLU H H 37 8.455 8.455 8.563 -0.108 18154 4026 1 6 . 1 1 38 38 ASP N N 38 120.395 120.395 122.235 -1.840 18154 4027 1 6 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.464 0.369 18154 4028 1 6 . 1 1 38 38 ASP C C 38 173.920 173.920 174.695 -0.775 18154 4029 1 6 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.127 0.350 18154 4030 1 6 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.517 0.087 18154 4031 1 6 . 1 1 38 38 ASP H H 38 9.602 9.602 8.757 0.845 18154 4032 1 6 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.664 0.016 18154 4033 1 6 . 1 1 39 39 PRO C C 39 176.274 176.274 176.544 -0.270 18154 4034 1 6 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.526 -0.542 18154 4035 1 6 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.251 1.149 18154 4036 1 6 . 1 1 40 40 GLU N N 40 119.026 119.026 121.085 -2.059 18154 4037 1 6 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.444 0.284 18154 4038 1 6 . 1 1 40 40 GLU C C 40 177.827 177.827 178.750 -0.923 18154 4039 1 6 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.571 -1.601 18154 4040 1 6 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.084 2.316 18154 4041 1 6 . 1 1 40 40 GLU H H 40 9.178 9.178 8.766 0.412 18154 4042 1 6 . 1 1 41 41 LEU N N 41 123.708 123.708 124.987 -1.279 18154 4043 1 6 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.246 -0.352 18154 4044 1 6 . 1 1 41 41 LEU C C 41 178.730 178.730 177.573 1.157 18154 4045 1 6 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.576 0.831 18154 4046 1 6 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.457 0.196 18154 4047 1 6 . 1 1 41 41 LEU H H 41 9.160 9.160 8.825 0.335 18154 4048 1 6 . 1 1 42 42 SER N N 42 110.500 110.500 114.477 -3.977 18154 4049 1 6 . 1 1 42 42 SER HA H 42 4.010 4.010 4.318 -0.308 18154 4050 1 6 . 1 1 42 42 SER C C 42 176.300 176.300 174.970 1.330 18154 4051 1 6 . 1 1 42 42 SER CA C 42 61.600 61.600 60.682 0.918 18154 4052 1 6 . 1 1 42 42 SER CB C 42 62.140 62.140 62.792 -0.652 18154 4053 1 6 . 1 1 42 42 SER H H 42 8.415 8.415 8.566 -0.151 18154 4054 1 6 . 1 1 43 43 ASP N N 43 119.770 119.770 120.623 -0.853 18154 4055 1 6 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.700 -0.243 18154 4056 1 6 . 1 1 43 43 ASP C C 43 176.150 176.150 176.159 -0.009 18154 4057 1 6 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.704 1.046 18154 4058 1 6 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.962 1.738 18154 4059 1 6 . 1 1 43 43 ASP H H 43 7.690 7.690 8.107 -0.417 18154 4060 1 6 . 1 1 44 44 TRP N N 44 118.500 118.500 121.292 -2.792 18154 4061 1 6 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.534 -0.324 18154 4062 1 6 . 1 1 44 44 TRP C C 44 177.150 177.150 177.416 -0.266 18154 4063 1 6 . 1 1 44 44 TRP CA C 44 59.387 59.387 59.001 0.386 18154 4064 1 6 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.322 -0.012 18154 4065 1 6 . 1 1 44 44 TRP H H 44 7.464 7.464 7.531 -0.067 18154 4066 1 6 . 1 1 45 45 LEU N N 45 114.100 114.100 121.394 -7.294 18154 4067 1 6 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.080 0.095 18154 4068 1 6 . 1 1 45 45 LEU C C 45 176.300 176.300 175.852 0.448 18154 4069 1 6 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.326 -0.766 18154 4070 1 6 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.474 -0.254 18154 4071 1 6 . 1 1 45 45 LEU H H 45 7.550 7.550 8.639 -1.089 18154 4072 1 6 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.222 0.158 18154 4073 1 6 . 1 1 46 46 PRO C C 46 176.799 176.799 177.427 -0.628 18154 4074 1 6 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.748 0.539 18154 4075 1 6 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.169 0.431 18154 4076 1 6 . 1 1 47 47 TYR N N 47 113.790 113.790 116.060 -2.270 18154 4077 1 6 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.553 -0.433 18154 4078 1 6 . 1 1 47 47 TYR C C 47 175.730 175.730 178.103 -2.373 18154 4079 1 6 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.745 1.455 18154 4080 1 6 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.458 0.558 18154 4081 1 6 . 1 1 47 47 TYR H H 47 8.291 8.291 8.220 0.071 18154 4082 1 6 . 1 1 48 48 GLN N N 48 116.524 116.524 120.545 -4.021 18154 4083 1 6 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.971 -0.086 18154 4084 1 6 . 1 1 48 48 GLN C C 48 174.381 174.381 176.523 -2.142 18154 4085 1 6 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.378 0.448 18154 4086 1 6 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.922 2.078 18154 4087 1 6 . 1 1 48 48 GLN H H 48 7.300 7.300 7.489 -0.189 18154 4088 1 6 . 1 1 49 49 ASP N N 49 114.657 114.657 114.223 0.434 18154 4089 1 6 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.630 0.057 18154 4090 1 6 . 1 1 49 49 ASP C C 49 176.307 176.307 175.888 0.419 18154 4091 1 6 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.815 -2.080 18154 4092 1 6 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.215 -1.016 18154 4093 1 6 . 1 1 49 49 ASP H H 49 7.854 7.854 8.423 -0.569 18154 4094 1 6 . 1 1 50 50 LYS N N 50 123.514 123.514 119.277 4.237 18154 4095 1 6 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.309 0.281 18154 4096 1 6 . 1 1 50 50 LYS C C 50 172.964 172.964 175.335 -2.371 18154 4097 1 6 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.922 -1.229 18154 4098 1 6 . 1 1 50 50 LYS CB C 50 33.355 33.355 34.491 -1.136 18154 4099 1 6 . 1 1 50 50 LYS H H 50 7.833 7.833 7.345 0.488 18154 4100 1 6 . 1 1 51 51 TYR N N 51 118.375 118.375 115.386 2.989 18154 4101 1 6 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.735 0.320 18154 4102 1 6 . 1 1 51 51 TYR C C 51 175.875 175.875 175.807 0.068 18154 4103 1 6 . 1 1 51 51 TYR CA C 51 56.421 56.421 56.520 -0.099 18154 4104 1 6 . 1 1 51 51 TYR CB C 51 42.477 42.477 42.103 0.374 18154 4105 1 6 . 1 1 51 51 TYR H H 51 7.745 7.745 8.437 -0.692 18154 4106 1 6 . 1 1 52 52 VAL N N 52 112.527 112.527 115.867 -3.340 18154 4107 1 6 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.987 0.513 18154 4108 1 6 . 1 1 52 52 VAL C C 52 173.910 173.910 174.049 -0.139 18154 4109 1 6 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.567 -1.871 18154 4110 1 6 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.165 1.327 18154 4111 1 6 . 1 1 52 52 VAL H H 52 8.673 8.673 8.501 0.172 18154 4112 1 6 . 1 1 53 53 LEU N N 53 124.294 124.294 125.092 -0.798 18154 4113 1 6 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.348 -0.448 18154 4114 1 6 . 1 1 53 53 LEU C C 53 175.070 175.070 174.565 0.505 18154 4115 1 6 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.203 -0.637 18154 4116 1 6 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.466 -1.236 18154 4117 1 6 . 1 1 53 53 LEU H H 53 9.137 9.137 9.213 -0.076 18154 4118 1 6 . 1 1 54 54 VAL N N 54 127.850 127.850 126.308 1.542 18154 4119 1 6 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.671 -0.161 18154 4120 1 6 . 1 1 54 54 VAL C C 54 174.030 174.030 174.653 -0.623 18154 4121 1 6 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.131 0.694 18154 4122 1 6 . 1 1 54 54 VAL CB C 54 32.691 32.691 32.956 -0.265 18154 4123 1 6 . 1 1 54 54 VAL H H 54 8.619 8.619 8.740 -0.121 18154 4124 1 6 . 1 1 55 55 VAL N N 55 127.181 127.181 127.500 -0.319 18154 4125 1 6 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.851 0.234 18154 4126 1 6 . 1 1 55 55 VAL C C 55 174.942 174.942 174.444 0.498 18154 4127 1 6 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.708 -0.639 18154 4128 1 6 . 1 1 55 55 VAL CB C 55 33.222 33.222 34.236 -1.014 18154 4129 1 6 . 1 1 55 55 VAL H H 55 8.578 8.578 9.047 -0.469 18154 4130 1 6 . 1 1 56 56 THR N N 56 117.420 117.420 122.741 -5.321 18154 4131 1 6 . 1 1 56 56 THR HA H 56 5.590 5.590 4.785 0.805 18154 4132 1 6 . 1 1 56 56 THR C C 56 172.640 172.640 173.429 -0.789 18154 4133 1 6 . 1 1 56 56 THR CA C 56 59.359 59.359 61.398 -2.038 18154 4134 1 6 . 1 1 56 56 THR CB C 56 70.715 70.715 70.102 0.613 18154 4135 1 6 . 1 1 56 56 THR H H 56 8.710 8.710 8.612 0.098 18154 4136 1 6 . 1 1 57 57 SER HA H 57 5.250 5.250 4.832 0.418 18154 4137 1 6 . 1 1 57 57 SER CA C 57 57.730 57.730 58.194 -0.464 18154 4138 1 6 . 1 1 57 57 SER CB C 57 64.500 64.500 64.242 0.258 18154 4139 1 6 . 1 1 57 57 SER H H 57 8.075 8.075 8.622 -0.547 18154 4140 1 6 . 1 1 58 58 THR H H 58 7.900 7.900 8.369 -0.469 18154 4141 1 6 . 1 1 59 59 THR HA H 59 4.900 4.900 4.108 0.792 18154 4142 1 6 . 1 1 59 59 THR CA C 59 61.200 61.200 64.897 -3.697 18154 4143 1 6 . 1 1 59 59 THR CB C 59 73.400 73.400 68.864 4.536 18154 4144 1 6 . 1 1 59 59 THR H H 59 9.230 9.230 7.471 1.759 18154 4145 1 6 . 1 1 60 60 GLY CA C 60 46.500 46.500 44.077 2.423 18154 4146 1 6 . 1 1 61 61 GLN HA H 61 4.406 4.406 3.791 0.615 18154 4147 1 6 . 1 1 61 61 GLN C C 61 175.950 175.950 175.505 0.445 18154 4148 1 6 . 1 1 61 61 GLN CA C 61 55.350 55.350 57.065 -1.715 18154 4149 1 6 . 1 1 61 61 GLN CB C 61 29.160 29.160 27.928 1.232 18154 4150 1 6 . 1 1 62 62 GLY N N 62 108.420 108.420 101.589 6.831 18154 4151 1 6 . 1 1 62 62 GLY C C 62 173.134 173.134 173.337 -0.203 18154 4152 1 6 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.525 1.259 18154 4153 1 6 . 1 1 62 62 GLY H H 62 8.073 8.073 7.857 0.216 18154 4154 1 6 . 1 1 63 63 ASP N N 63 118.400 118.400 120.318 -1.918 18154 4155 1 6 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.717 0.063 18154 4156 1 6 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.964 0.332 18154 4157 1 6 . 1 1 63 63 ASP CB C 63 42.740 42.740 42.405 0.335 18154 4158 1 6 . 1 1 63 63 ASP H H 63 7.248 7.248 7.890 -0.642 18154 4159 1 6 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.397 0.003 18154 4160 1 6 . 1 1 64 64 LEU CA C 64 53.150 53.150 52.240 0.910 18154 4161 1 6 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.241 -0.554 18154 4162 1 6 . 1 1 64 64 LEU H H 64 8.445 8.445 7.993 0.452 18154 4163 1 6 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.577 -0.284 18154 4164 1 6 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.012 0.332 18154 4165 1 6 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.720 -0.240 18154 4166 1 6 . 1 1 66 66 ASP N N 66 121.200 121.200 121.244 -0.044 18154 4167 1 6 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.351 -0.091 18154 4168 1 6 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.347 1.283 18154 4169 1 6 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.763 0.037 18154 4170 1 6 . 1 1 66 66 ASP H H 66 8.605 8.605 8.795 -0.190 18154 4171 1 6 . 1 1 67 67 SER HA H 67 4.292 4.292 4.331 -0.039 18154 4172 1 6 . 1 1 67 67 SER C C 67 175.650 175.650 174.620 1.030 18154 4173 1 6 . 1 1 67 67 SER CA C 67 60.500 60.500 60.773 -0.273 18154 4174 1 6 . 1 1 67 67 SER CB C 67 63.530 63.530 63.354 0.176 18154 4175 1 6 . 1 1 68 68 ILE N N 68 120.550 120.550 119.477 1.073 18154 4176 1 6 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.436 0.674 18154 4177 1 6 . 1 1 68 68 ILE C C 68 174.713 174.713 176.097 -1.384 18154 4178 1 6 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.385 0.015 18154 4179 1 6 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.126 4.114 18154 4180 1 6 . 1 1 68 68 ILE H H 68 7.870 7.870 7.637 0.233 18154 4181 1 6 . 1 1 69 69 VAL N N 69 125.740 125.740 123.802 1.938 18154 4182 1 6 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.627 0.118 18154 4183 1 6 . 1 1 69 69 VAL C C 69 174.500 174.500 174.873 -0.373 18154 4184 1 6 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.472 -0.922 18154 4185 1 6 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.430 0.700 18154 4186 1 6 . 1 1 69 69 VAL H H 69 7.428 7.428 7.901 -0.473 18154 4187 1 6 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.306 -0.014 18154 4188 1 6 . 1 1 70 70 PRO C C 70 180.820 180.820 178.909 1.911 18154 4189 1 6 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.054 0.416 18154 4190 1 6 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.212 -0.555 18154 4191 1 6 . 1 1 71 71 LEU N N 71 119.467 119.467 120.066 -0.599 18154 4192 1 6 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.054 -0.209 18154 4193 1 6 . 1 1 71 71 LEU C C 71 176.489 176.489 178.409 -1.920 18154 4194 1 6 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.859 0.348 18154 4195 1 6 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.745 -0.259 18154 4196 1 6 . 1 1 71 71 LEU H H 71 7.918 7.918 7.380 0.538 18154 4197 1 6 . 1 1 72 72 PHE N N 72 119.361 119.361 119.573 -0.212 18154 4198 1 6 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.399 -0.254 18154 4199 1 6 . 1 1 72 72 PHE C C 72 175.968 175.968 177.080 -1.112 18154 4200 1 6 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.758 0.063 18154 4201 1 6 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.702 0.845 18154 4202 1 6 . 1 1 72 72 PHE H H 72 7.903 7.903 8.705 -0.802 18154 4203 1 6 . 1 1 73 73 GLN N N 73 116.100 116.100 116.810 -0.710 18154 4204 1 6 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.731 -0.204 18154 4205 1 6 . 1 1 73 73 GLN C C 73 177.871 177.871 178.522 -0.651 18154 4206 1 6 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.942 -0.802 18154 4207 1 6 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.440 -0.293 18154 4208 1 6 . 1 1 73 73 GLN H H 73 9.042 9.042 8.716 0.326 18154 4209 1 6 . 1 1 74 74 GLY N N 74 107.110 107.110 108.599 -1.489 18154 4210 1 6 . 1 1 74 74 GLY C C 74 175.894 175.894 176.166 -0.272 18154 4211 1 6 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.950 0.330 18154 4212 1 6 . 1 1 74 74 GLY H H 74 8.045 8.045 8.040 0.005 18154 4213 1 6 . 1 1 75 75 ILE N N 75 123.629 123.629 122.819 0.810 18154 4214 1 6 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.355 -0.305 18154 4215 1 6 . 1 1 75 75 ILE C C 75 178.622 178.622 177.125 1.497 18154 4216 1 6 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.953 0.304 18154 4217 1 6 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.386 0.582 18154 4218 1 6 . 1 1 75 75 ILE H H 75 8.174 8.174 8.135 0.039 18154 4219 1 6 . 1 1 76 76 LYS N N 76 119.363 119.363 118.700 0.663 18154 4220 1 6 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.755 -0.450 18154 4221 1 6 . 1 1 76 76 LYS C C 76 177.909 177.909 178.217 -0.308 18154 4222 1 6 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.310 0.395 18154 4223 1 6 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.889 0.461 18154 4224 1 6 . 1 1 76 76 LYS H H 76 7.600 7.600 7.411 0.189 18154 4225 1 6 . 1 1 77 77 ASP N N 77 115.190 115.190 118.011 -2.821 18154 4226 1 6 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.552 -0.070 18154 4227 1 6 . 1 1 77 77 ASP C C 77 178.825 178.825 178.264 0.561 18154 4228 1 6 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.144 0.136 18154 4229 1 6 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.839 -0.649 18154 4230 1 6 . 1 1 77 77 ASP H H 77 8.482 8.482 8.342 0.140 18154 4231 1 6 . 1 1 78 78 SER N N 78 112.576 112.576 116.155 -3.579 18154 4232 1 6 . 1 1 78 78 SER HA H 78 4.728 4.728 4.383 0.345 18154 4233 1 6 . 1 1 78 78 SER C C 78 174.556 174.556 174.982 -0.426 18154 4234 1 6 . 1 1 78 78 SER CA C 78 60.045 60.045 60.609 -0.565 18154 4235 1 6 . 1 1 78 78 SER CB C 78 64.643 64.643 63.877 0.765 18154 4236 1 6 . 1 1 78 78 SER H H 78 8.273 8.273 7.997 0.276 18154 4237 1 6 . 1 1 79 79 LEU N N 79 120.833 120.833 121.121 -0.288 18154 4238 1 6 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.419 0.396 18154 4239 1 6 . 1 1 79 79 LEU C C 79 176.251 176.251 178.734 -2.483 18154 4240 1 6 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.281 -2.321 18154 4241 1 6 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.365 -3.169 18154 4242 1 6 . 1 1 79 79 LEU H H 79 7.025 7.025 7.515 -0.490 18154 4243 1 6 . 1 1 80 80 GLY N N 80 108.861 108.861 107.191 1.670 18154 4244 1 6 . 1 1 80 80 GLY C C 80 173.623 173.623 173.725 -0.102 18154 4245 1 6 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.409 -0.180 18154 4246 1 6 . 1 1 80 80 GLY H H 80 7.499 7.499 8.210 -0.711 18154 4247 1 6 . 1 1 81 81 PHE N N 81 121.441 121.441 119.273 2.168 18154 4248 1 6 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.637 0.423 18154 4249 1 6 . 1 1 81 81 PHE C C 81 174.411 174.411 172.392 2.019 18154 4250 1 6 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.481 -0.270 18154 4251 1 6 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.767 -1.147 18154 4252 1 6 . 1 1 81 81 PHE H H 81 8.018 8.018 7.369 0.649 18154 4253 1 6 . 1 1 82 82 GLN N N 82 126.480 126.480 121.608 4.872 18154 4254 1 6 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.712 0.178 18154 4255 1 6 . 1 1 82 82 GLN C C 82 172.700 172.700 173.697 -0.997 18154 4256 1 6 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.470 1.707 18154 4257 1 6 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.435 2.165 18154 4258 1 6 . 1 1 82 82 GLN H H 82 9.588 9.588 7.662 1.926 18154 4259 1 6 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.259 0.114 18154 4260 1 6 . 1 1 83 83 PRO C C 83 178.163 178.163 176.631 1.532 18154 4261 1 6 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.470 -0.779 18154 4262 1 6 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.564 -0.699 18154 4263 1 6 . 1 1 84 84 ASN N N 84 116.900 116.900 114.369 2.531 18154 4264 1 6 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.799 -0.030 18154 4265 1 6 . 1 1 84 84 ASN C C 84 173.332 173.332 173.422 -0.090 18154 4266 1 6 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.695 -0.135 18154 4267 1 6 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.271 -1.011 18154 4268 1 6 . 1 1 84 84 ASN H H 84 8.578 8.578 7.804 0.774 18154 4269 1 6 . 1 1 85 85 LEU N N 85 124.380 124.380 122.289 2.091 18154 4270 1 6 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.205 -0.159 18154 4271 1 6 . 1 1 85 85 LEU C C 85 175.880 175.880 175.803 0.077 18154 4272 1 6 . 1 1 85 85 LEU CA C 85 55.842 55.842 55.028 0.814 18154 4273 1 6 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.071 -0.771 18154 4274 1 6 . 1 1 85 85 LEU H H 85 7.240 7.240 7.595 -0.355 18154 4275 1 6 . 1 1 86 86 ARG N N 86 128.715 128.715 123.655 5.060 18154 4276 1 6 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.693 0.101 18154 4277 1 6 . 1 1 86 86 ARG C C 86 175.554 175.554 175.675 -0.121 18154 4278 1 6 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.331 1.111 18154 4279 1 6 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.458 -0.584 18154 4280 1 6 . 1 1 86 86 ARG H H 86 7.732 7.732 7.784 -0.052 18154 4281 1 6 . 1 1 87 87 TYR N N 87 117.420 117.420 117.554 -0.134 18154 4282 1 6 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.857 0.908 18154 4283 1 6 . 1 1 87 87 TYR C C 87 172.931 172.931 173.596 -0.665 18154 4284 1 6 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.297 -1.036 18154 4285 1 6 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.589 3.349 18154 4286 1 6 . 1 1 87 87 TYR H H 87 8.783 8.783 8.226 0.557 18154 4287 1 6 . 1 1 88 88 GLY N N 88 107.765 107.765 105.041 2.724 18154 4288 1 6 . 1 1 88 88 GLY C C 88 172.621 172.621 171.410 1.211 18154 4289 1 6 . 1 1 88 88 GLY CA C 88 43.861 43.861 44.066 -0.205 18154 4290 1 6 . 1 1 88 88 GLY H H 88 8.905 8.905 8.573 0.332 18154 4291 1 6 . 1 1 89 89 VAL N N 89 118.180 118.180 118.648 -0.468 18154 4292 1 6 . 1 1 89 89 VAL HA H 89 5.001 5.001 5.099 -0.098 18154 4293 1 6 . 1 1 89 89 VAL C C 89 172.939 172.939 173.040 -0.101 18154 4294 1 6 . 1 1 89 89 VAL CA C 89 60.999 60.999 59.209 1.790 18154 4295 1 6 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.352 1.046 18154 4296 1 6 . 1 1 89 89 VAL H H 89 7.499 7.499 8.391 -0.892 18154 4297 1 6 . 1 1 90 90 ILE N N 90 125.000 125.000 126.089 -1.089 18154 4298 1 6 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.092 0.035 18154 4299 1 6 . 1 1 90 90 ILE C C 90 173.099 173.099 173.730 -0.631 18154 4300 1 6 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.601 0.887 18154 4301 1 6 . 1 1 90 90 ILE CB C 90 40.398 40.398 39.728 0.670 18154 4302 1 6 . 1 1 90 90 ILE H H 90 8.810 8.810 8.654 0.156 18154 4303 1 6 . 1 1 91 91 ALA N N 91 129.036 129.036 130.005 -0.969 18154 4304 1 6 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.238 0.088 18154 4305 1 6 . 1 1 91 91 ALA C C 91 174.000 174.000 175.864 -1.864 18154 4306 1 6 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.899 -0.899 18154 4307 1 6 . 1 1 91 91 ALA CB C 91 22.100 22.100 20.976 1.124 18154 4308 1 6 . 1 1 91 91 ALA H H 91 9.253 9.253 8.839 0.414 18154 4309 1 6 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.122 -0.191 18154 4310 1 6 . 1 1 92 92 LEU C C 92 177.366 177.366 176.446 0.920 18154 4311 1 6 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.291 0.626 18154 4312 1 6 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.373 -2.973 18154 4313 1 6 . 1 1 93 93 GLY N N 93 110.663 110.663 107.734 2.929 18154 4314 1 6 . 1 1 93 93 GLY C C 93 172.029 172.029 171.922 0.107 18154 4315 1 6 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.905 -0.175 18154 4316 1 6 . 1 1 93 93 GLY H H 93 8.687 8.687 8.719 -0.032 18154 4317 1 6 . 1 1 94 94 ASP N N 94 119.304 119.304 121.185 -1.881 18154 4318 1 6 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.603 -0.343 18154 4319 1 6 . 1 1 94 94 ASP C C 94 176.978 176.978 177.709 -0.731 18154 4320 1 6 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.088 1.519 18154 4321 1 6 . 1 1 94 94 ASP CB C 94 43.000 43.000 43.658 -0.658 18154 4322 1 6 . 1 1 94 94 ASP H H 94 8.129 8.129 8.620 -0.491 18154 4323 1 6 . 1 1 95 95 SER N N 95 123.897 123.897 122.437 1.460 18154 4324 1 6 . 1 1 95 95 SER HA H 95 3.895 3.895 4.284 -0.389 18154 4325 1 6 . 1 1 95 95 SER C C 95 175.243 175.243 175.418 -0.175 18154 4326 1 6 . 1 1 95 95 SER CA C 95 60.183 60.183 60.547 -0.364 18154 4327 1 6 . 1 1 95 95 SER CB C 95 61.700 61.700 62.611 -0.910 18154 4328 1 6 . 1 1 95 95 SER H H 95 8.878 8.878 9.552 -0.674 18154 4329 1 6 . 1 1 96 96 SER N N 96 119.248 119.248 116.891 2.357 18154 4330 1 6 . 1 1 96 96 SER HA H 96 4.209 4.209 4.186 0.023 18154 4331 1 6 . 1 1 96 96 SER C C 96 173.900 173.900 175.111 -1.211 18154 4332 1 6 . 1 1 96 96 SER CA C 96 60.197 60.197 60.007 0.190 18154 4333 1 6 . 1 1 96 96 SER CB C 96 63.000 63.000 63.430 -0.430 18154 4334 1 6 . 1 1 96 96 SER H H 96 9.124 9.124 8.231 0.893 18154 4335 1 6 . 1 1 97 97 TYR N N 97 120.889 120.889 121.400 -0.511 18154 4336 1 6 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.387 0.501 18154 4337 1 6 . 1 1 97 97 TYR C C 97 175.972 175.972 176.951 -0.979 18154 4338 1 6 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.897 -3.147 18154 4339 1 6 . 1 1 97 97 TYR CB C 97 39.820 39.820 38.809 1.011 18154 4340 1 6 . 1 1 97 97 TYR H H 97 7.664 7.664 7.800 -0.136 18154 4341 1 6 . 1 1 98 98 VAL N N 98 116.952 116.952 120.761 -3.809 18154 4342 1 6 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.809 0.251 18154 4343 1 6 . 1 1 98 98 VAL C C 98 175.969 175.969 177.015 -1.046 18154 4344 1 6 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.268 -2.428 18154 4345 1 6 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.656 0.944 18154 4346 1 6 . 1 1 98 98 VAL H H 98 7.970 7.970 8.601 -0.631 18154 4347 1 6 . 1 1 99 99 ASN N N 99 118.156 118.156 119.966 -1.810 18154 4348 1 6 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.828 -0.317 18154 4349 1 6 . 1 1 99 99 ASN C C 99 174.329 174.329 173.967 0.362 18154 4350 1 6 . 1 1 99 99 ASN CA C 99 53.031 53.031 52.412 0.619 18154 4351 1 6 . 1 1 99 99 ASN CB C 99 37.238 37.238 37.003 0.235 18154 4352 1 6 . 1 1 99 99 ASN H H 99 8.296 8.296 8.296 0.000 18154 4353 1 6 . 1 1 100 100 PHE N N 100 118.649 118.649 122.917 -4.268 18154 4354 1 6 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.333 0.082 18154 4355 1 6 . 1 1 100 100 PHE C C 100 174.400 174.400 175.899 -1.499 18154 4356 1 6 . 1 1 100 100 PHE CA C 100 58.190 58.190 60.142 -1.952 18154 4357 1 6 . 1 1 100 100 PHE CB C 100 39.679 39.679 39.544 0.135 18154 4358 1 6 . 1 1 100 100 PHE H H 100 7.855 7.855 7.752 0.103 18154 4359 1 6 . 1 1 101 101 CYS HA H 101 3.585 3.585 3.660 -0.075 18154 4360 1 6 . 1 1 101 101 CYS CA C 101 62.740 62.740 60.227 2.513 18154 4361 1 6 . 1 1 101 101 CYS CB C 101 26.000 26.000 25.744 0.257 18154 4362 1 6 . 1 1 101 101 CYS H H 101 9.240 9.240 8.648 0.592 18154 4363 1 6 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.441 -0.221 18154 4364 1 6 . 1 1 102 102 ASN CA C 102 57.200 57.200 55.710 1.490 18154 4365 1 6 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.601 -0.001 18154 4366 1 6 . 1 1 102 102 ASN H H 102 8.300 8.300 7.923 0.377 18154 4367 1 6 . 1 1 103 103 GLY C C 103 175.690 175.690 175.801 -0.111 18154 4368 1 6 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.094 0.256 18154 4369 1 6 . 1 1 104 104 GLY N N 104 106.150 106.150 109.758 -3.608 18154 4370 1 6 . 1 1 104 104 GLY C C 104 174.570 174.570 176.220 -1.650 18154 4371 1 6 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.286 1.064 18154 4372 1 6 . 1 1 104 104 GLY H H 104 7.108 7.108 7.632 -0.524 18154 4373 1 6 . 1 1 105 105 LYS N N 105 120.732 120.732 122.377 -1.645 18154 4374 1 6 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.958 -0.021 18154 4375 1 6 . 1 1 105 105 LYS C C 105 179.706 179.706 179.110 0.596 18154 4376 1 6 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.997 0.311 18154 4377 1 6 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.228 -0.431 18154 4378 1 6 . 1 1 105 105 LYS H H 105 7.708 7.708 7.858 -0.150 18154 4379 1 6 . 1 1 106 106 GLN N N 106 119.087 119.087 117.989 1.098 18154 4380 1 6 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.152 -0.010 18154 4381 1 6 . 1 1 106 106 GLN C C 106 179.418 179.418 178.441 0.977 18154 4382 1 6 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.328 0.547 18154 4383 1 6 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.059 0.700 18154 4384 1 6 . 1 1 106 106 GLN H H 106 8.738 8.738 8.378 0.360 18154 4385 1 6 . 1 1 107 107 PHE N N 107 123.088 123.088 120.448 2.640 18154 4386 1 6 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.350 -0.100 18154 4387 1 6 . 1 1 107 107 PHE C C 107 178.403 178.403 177.732 0.671 18154 4388 1 6 . 1 1 107 107 PHE CA C 107 62.185 62.185 62.004 0.181 18154 4389 1 6 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.985 0.466 18154 4390 1 6 . 1 1 107 107 PHE H H 107 7.922 7.922 7.955 -0.033 18154 4391 1 6 . 1 1 108 108 ASP N N 108 117.118 117.118 120.375 -3.257 18154 4392 1 6 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.501 -0.127 18154 4393 1 6 . 1 1 108 108 ASP C C 108 176.973 176.973 178.326 -1.353 18154 4394 1 6 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.790 0.639 18154 4395 1 6 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.064 3.059 18154 4396 1 6 . 1 1 108 108 ASP H H 108 8.305 8.305 8.240 0.065 18154 4397 1 6 . 1 1 109 109 ALA N N 109 118.590 118.590 122.087 -3.497 18154 4398 1 6 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.050 0.000 18154 4399 1 6 . 1 1 109 109 ALA C C 109 180.430 180.430 179.340 1.090 18154 4400 1 6 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.121 0.075 18154 4401 1 6 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.611 -0.504 18154 4402 1 6 . 1 1 109 109 ALA H H 109 8.332 8.332 8.250 0.082 18154 4403 1 6 . 1 1 110 110 LEU N N 110 120.402 120.402 119.976 0.426 18154 4404 1 6 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.838 0.247 18154 4405 1 6 . 1 1 110 110 LEU C C 110 177.801 177.801 178.763 -0.962 18154 4406 1 6 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.767 -0.127 18154 4407 1 6 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.715 1.041 18154 4408 1 6 . 1 1 110 110 LEU H H 110 7.868 7.868 7.999 -0.131 18154 4409 1 6 . 1 1 111 111 LEU N N 111 116.945 116.945 116.174 0.771 18154 4410 1 6 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.747 -0.029 18154 4411 1 6 . 1 1 111 111 LEU C C 111 179.838 179.838 179.185 0.653 18154 4412 1 6 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.246 0.719 18154 4413 1 6 . 1 1 111 111 LEU CB C 111 38.860 38.860 40.996 -2.136 18154 4414 1 6 . 1 1 111 111 LEU H H 111 7.704 7.704 7.240 0.464 18154 4415 1 6 . 1 1 112 112 GLN N N 112 118.484 118.484 116.942 1.542 18154 4416 1 6 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.134 0.007 18154 4417 1 6 . 1 1 112 112 GLN C C 112 181.218 181.218 178.190 3.028 18154 4418 1 6 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.701 1.265 18154 4419 1 6 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.259 1.001 18154 4420 1 6 . 1 1 112 112 GLN H H 112 8.441 8.441 8.102 0.339 18154 4421 1 6 . 1 1 113 113 GLU N N 113 122.905 122.905 117.206 5.699 18154 4422 1 6 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.126 0.055 18154 4423 1 6 . 1 1 113 113 GLU C C 113 178.001 178.001 177.556 0.445 18154 4424 1 6 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.902 1.083 18154 4425 1 6 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.408 -0.138 18154 4426 1 6 . 1 1 113 113 GLU H H 113 8.305 8.305 7.860 0.445 18154 4427 1 6 . 1 1 114 114 GLN N N 114 117.332 117.332 118.911 -1.579 18154 4428 1 6 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.284 0.311 18154 4429 1 6 . 1 1 114 114 GLN C C 114 174.538 174.538 177.067 -2.529 18154 4430 1 6 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.767 -1.350 18154 4431 1 6 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.477 -4.647 18154 4432 1 6 . 1 1 114 114 GLN H H 114 7.520 7.520 7.595 -0.075 18154 4433 1 6 . 1 1 115 115 SER N N 115 109.100 109.100 109.304 -0.204 18154 4434 1 6 . 1 1 115 115 SER HA H 115 4.200 4.200 4.482 -0.282 18154 4435 1 6 . 1 1 115 115 SER C C 115 172.302 172.302 173.969 -1.667 18154 4436 1 6 . 1 1 115 115 SER CA C 115 60.400 60.400 58.404 1.996 18154 4437 1 6 . 1 1 115 115 SER CB C 115 61.325 61.325 64.487 -3.162 18154 4438 1 6 . 1 1 115 115 SER H H 115 7.950 7.950 7.821 0.129 18154 4439 1 6 . 1 1 116 116 ALA N N 116 121.059 121.059 125.966 -4.907 18154 4440 1 6 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.204 0.590 18154 4441 1 6 . 1 1 116 116 ALA C C 116 176.774 176.774 176.351 0.423 18154 4442 1 6 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.823 -1.133 18154 4443 1 6 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.211 1.154 18154 4444 1 6 . 1 1 116 116 ALA H H 116 7.813 7.813 7.521 0.292 18154 4445 1 6 . 1 1 117 117 GLN N N 117 118.000 118.000 119.591 -1.591 18154 4446 1 6 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.685 -0.067 18154 4447 1 6 . 1 1 117 117 GLN C C 117 173.769 173.769 175.101 -1.332 18154 4448 1 6 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.593 -0.037 18154 4449 1 6 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.388 -0.653 18154 4450 1 6 . 1 1 117 117 GLN H H 117 8.591 8.591 8.275 0.316 18154 4451 1 6 . 1 1 118 118 ARG N N 118 127.947 127.947 125.663 2.284 18154 4452 1 6 . 1 1 118 118 ARG HA H 118 3.308 3.308 3.318 -0.010 18154 4453 1 6 . 1 1 118 118 ARG C C 118 176.758 176.758 175.403 1.355 18154 4454 1 6 . 1 1 118 118 ARG CA C 118 56.186 56.186 56.244 -0.058 18154 4455 1 6 . 1 1 118 118 ARG CB C 118 30.310 30.310 31.172 -0.862 18154 4456 1 6 . 1 1 118 118 ARG H H 118 8.659 8.659 8.805 -0.146 18154 4457 1 6 . 1 1 119 119 VAL N N 119 131.939 131.939 124.126 7.813 18154 4458 1 6 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.287 -0.174 18154 4459 1 6 . 1 1 119 119 VAL C C 119 176.775 176.775 176.480 0.295 18154 4460 1 6 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.993 0.181 18154 4461 1 6 . 1 1 119 119 VAL CB C 119 32.394 32.394 32.507 -0.112 18154 4462 1 6 . 1 1 119 119 VAL H H 119 9.520 9.520 8.396 1.124 18154 4463 1 6 . 1 1 120 120 GLY N N 120 116.074 116.074 115.797 0.277 18154 4464 1 6 . 1 1 120 120 GLY C C 120 172.757 172.757 173.511 -0.754 18154 4465 1 6 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.545 -1.647 18154 4466 1 6 . 1 1 120 120 GLY H H 120 8.755 8.755 8.487 0.268 18154 4467 1 6 . 1 1 121 121 GLU N N 121 118.754 118.754 119.798 -1.044 18154 4468 1 6 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.858 -0.192 18154 4469 1 6 . 1 1 121 121 GLU C C 121 177.419 177.419 176.491 0.928 18154 4470 1 6 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.466 0.025 18154 4471 1 6 . 1 1 121 121 GLU CB C 121 31.498 31.498 31.371 0.127 18154 4472 1 6 . 1 1 121 121 GLU H H 121 8.594 8.594 8.608 -0.014 18154 4473 1 6 . 1 1 122 122 MET N N 122 122.642 122.642 120.749 1.893 18154 4474 1 6 . 1 1 122 122 MET HA H 122 4.415 4.415 4.991 -0.576 18154 4475 1 6 . 1 1 122 122 MET C C 122 175.351 175.351 174.939 0.412 18154 4476 1 6 . 1 1 122 122 MET CA C 122 57.024 57.024 54.587 2.437 18154 4477 1 6 . 1 1 122 122 MET CB C 122 34.210 34.210 33.673 0.536 18154 4478 1 6 . 1 1 122 122 MET H H 122 8.892 8.892 8.621 0.271 18154 4479 1 6 . 1 1 123 123 LEU N N 123 129.535 129.535 122.075 7.460 18154 4480 1 6 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.462 -0.112 18154 4481 1 6 . 1 1 123 123 LEU C C 123 173.124 173.124 174.328 -1.204 18154 4482 1 6 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.182 0.557 18154 4483 1 6 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.573 -1.495 18154 4484 1 6 . 1 1 123 123 LEU H H 123 7.868 7.868 7.431 0.437 18154 4485 1 6 . 1 1 124 124 LEU N N 124 127.120 127.120 125.928 1.192 18154 4486 1 6 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.759 0.296 18154 4487 1 6 . 1 1 124 124 LEU C C 124 176.379 176.379 176.136 0.243 18154 4488 1 6 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.139 0.411 18154 4489 1 6 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.970 -1.592 18154 4490 1 6 . 1 1 124 124 LEU H H 124 8.346 8.346 8.221 0.125 18154 4491 1 6 . 1 1 125 125 ILE N N 125 124.337 124.337 124.734 -0.397 18154 4492 1 6 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.456 -0.276 18154 4493 1 6 . 1 1 125 125 ILE C C 125 174.303 174.303 174.771 -0.468 18154 4494 1 6 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.970 0.130 18154 4495 1 6 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.731 -0.788 18154 4496 1 6 . 1 1 125 125 ILE H H 125 8.974 8.974 8.543 0.431 18154 4497 1 6 . 1 1 126 126 ASP N N 126 127.113 127.113 128.160 -1.047 18154 4498 1 6 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.536 -0.421 18154 4499 1 6 . 1 1 126 126 ASP C C 126 176.766 176.766 176.245 0.521 18154 4500 1 6 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.053 -0.206 18154 4501 1 6 . 1 1 126 126 ASP CB C 126 41.100 41.100 42.488 -1.388 18154 4502 1 6 . 1 1 126 126 ASP H H 126 9.397 9.397 8.392 1.005 18154 4503 1 6 . 1 1 127 127 ALA N N 127 131.178 131.178 131.571 -0.393 18154 4504 1 6 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.548 -0.232 18154 4505 1 6 . 1 1 127 127 ALA C C 127 178.530 178.530 178.874 -0.344 18154 4506 1 6 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.045 -0.198 18154 4507 1 6 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.070 -0.278 18154 4508 1 6 . 1 1 127 127 ALA H H 127 9.696 9.696 9.176 0.520 18154 4509 1 6 . 1 1 128 128 SER N N 128 112.064 112.064 113.236 -1.172 18154 4510 1 6 . 1 1 128 128 SER HA H 128 4.224 4.224 4.203 0.021 18154 4511 1 6 . 1 1 128 128 SER C C 128 175.000 175.000 175.677 -0.677 18154 4512 1 6 . 1 1 128 128 SER CA C 128 61.246 61.246 60.500 0.746 18154 4513 1 6 . 1 1 128 128 SER CB C 128 63.310 63.310 63.397 -0.087 18154 4514 1 6 . 1 1 128 128 SER H H 128 8.373 8.373 8.463 -0.090 18154 4515 1 6 . 1 1 129 129 GLU N N 129 119.468 119.468 118.491 0.977 18154 4516 1 6 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.363 0.037 18154 4517 1 6 . 1 1 129 129 GLU C C 129 175.947 175.947 176.094 -0.147 18154 4518 1 6 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.831 -0.416 18154 4519 1 6 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.990 -0.260 18154 4520 1 6 . 1 1 129 129 GLU H H 129 7.267 7.267 7.556 -0.289 18154 4521 1 6 . 1 1 130 130 ASN N N 130 115.968 115.968 117.740 -1.772 18154 4522 1 6 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.110 0.056 18154 4523 1 6 . 1 1 130 130 ASN C C 130 172.000 172.000 173.968 -1.968 18154 4524 1 6 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.859 -0.636 18154 4525 1 6 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.918 -0.252 18154 4526 1 6 . 1 1 130 130 ASN H H 130 8.072 8.072 8.203 -0.131 18154 4527 1 6 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.608 -0.058 18154 4528 1 6 . 1 1 131 131 PRO C C 131 176.400 176.400 176.366 0.034 18154 4529 1 6 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.566 -0.066 18154 4530 1 6 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.927 0.373 18154 4531 1 6 . 1 1 132 132 GLU N N 132 119.000 119.000 118.670 0.330 18154 4532 1 6 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.902 0.118 18154 4533 1 6 . 1 1 132 132 GLU C C 132 174.200 174.200 175.232 -1.032 18154 4534 1 6 . 1 1 132 132 GLU CA C 132 53.000 53.000 52.977 0.023 18154 4535 1 6 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.379 0.321 18154 4536 1 6 . 1 1 132 132 GLU H H 132 7.690 7.690 8.125 -0.435 18154 4537 1 6 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.224 -0.224 18154 4538 1 6 . 1 1 133 133 PRO C C 133 177.391 177.391 178.070 -0.679 18154 4539 1 6 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.258 0.211 18154 4540 1 6 . 1 1 133 133 PRO CB C 133 32.145 32.145 32.005 0.140 18154 4541 1 6 . 1 1 134 134 GLU N N 134 122.846 122.846 117.775 5.071 18154 4542 1 6 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.249 0.971 18154 4543 1 6 . 1 1 134 134 GLU C C 134 178.385 178.385 178.639 -0.254 18154 4544 1 6 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.413 -1.821 18154 4545 1 6 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.202 -1.612 18154 4546 1 6 . 1 1 134 134 GLU H H 134 10.707 10.707 8.885 1.822 18154 4547 1 6 . 1 1 135 135 THR N N 135 113.016 113.016 111.400 1.616 18154 4548 1 6 . 1 1 135 135 THR HA H 135 4.182 4.182 4.205 -0.023 18154 4549 1 6 . 1 1 135 135 THR C C 135 176.460 176.460 175.896 0.564 18154 4550 1 6 . 1 1 135 135 THR CA C 135 64.752 64.752 64.843 -0.091 18154 4551 1 6 . 1 1 135 135 THR CB C 135 69.248 69.248 68.902 0.346 18154 4552 1 6 . 1 1 135 135 THR H H 135 8.168 8.168 8.043 0.125 18154 4553 1 6 . 1 1 136 136 GLU N N 136 118.978 118.978 121.380 -2.402 18154 4554 1 6 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.464 0.100 18154 4555 1 6 . 1 1 136 136 GLU C C 136 178.370 178.370 178.629 -0.259 18154 4556 1 6 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.352 -1.439 18154 4557 1 6 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.702 1.398 18154 4558 1 6 . 1 1 136 136 GLU H H 136 7.680 7.680 7.669 0.011 18154 4559 1 6 . 1 1 137 137 SER N N 137 116.501 116.501 115.906 0.595 18154 4560 1 6 . 1 1 137 137 SER HA H 137 4.033 4.033 4.213 -0.180 18154 4561 1 6 . 1 1 137 137 SER C C 137 175.670 175.670 176.627 -0.957 18154 4562 1 6 . 1 1 137 137 SER CA C 137 62.330 62.330 62.087 0.243 18154 4563 1 6 . 1 1 137 137 SER CB C 137 61.380 61.380 63.016 -1.636 18154 4564 1 6 . 1 1 137 137 SER H H 137 8.824 8.824 8.493 0.331 18154 4565 1 6 . 1 1 138 138 ASN N N 138 123.517 123.517 121.218 2.299 18154 4566 1 6 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.746 -0.155 18154 4567 1 6 . 1 1 138 138 ASN C C 138 175.700 175.700 175.376 0.324 18154 4568 1 6 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.832 -0.346 18154 4569 1 6 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.087 -2.834 18154 4570 1 6 . 1 1 138 138 ASN H H 138 8.564 8.564 8.263 0.301 18154 4571 1 6 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.331 0.124 18154 4572 1 6 . 1 1 139 139 PRO C C 139 180.033 180.033 178.460 1.573 18154 4573 1 6 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.261 0.349 18154 4574 1 6 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.316 -0.780 18154 4575 1 6 . 1 1 140 140 TRP N N 140 119.700 119.700 121.760 -2.060 18154 4576 1 6 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.406 -0.073 18154 4577 1 6 . 1 1 140 140 TRP C C 140 179.195 179.195 177.924 1.271 18154 4578 1 6 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.844 0.336 18154 4579 1 6 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.508 1.243 18154 4580 1 6 . 1 1 140 140 TRP H H 140 7.057 7.057 7.689 -0.632 18154 4581 1 6 . 1 1 141 141 VAL N N 141 122.879 122.879 118.994 3.885 18154 4582 1 6 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.773 -0.037 18154 4583 1 6 . 1 1 141 141 VAL C C 141 177.416 177.416 178.523 -1.107 18154 4584 1 6 . 1 1 141 141 VAL CA C 141 66.716 66.716 66.730 -0.014 18154 4585 1 6 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.383 0.049 18154 4586 1 6 . 1 1 141 141 VAL H H 141 9.629 9.629 8.643 0.986 18154 4587 1 6 . 1 1 142 142 GLU N N 142 119.965 119.965 120.139 -0.174 18154 4588 1 6 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.895 -0.163 18154 4589 1 6 . 1 1 142 142 GLU C C 142 178.800 178.800 178.663 0.137 18154 4590 1 6 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.888 -0.556 18154 4591 1 6 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.701 -0.141 18154 4592 1 6 . 1 1 142 142 GLU H H 142 8.551 8.551 8.277 0.274 18154 4593 1 6 . 1 1 143 143 GLN N N 143 115.364 115.364 119.469 -4.105 18154 4594 1 6 . 1 1 143 143 GLN HA H 143 4.290 4.290 4.021 0.269 18154 4595 1 6 . 1 1 143 143 GLN C C 143 177.840 177.840 177.813 0.027 18154 4596 1 6 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.496 0.867 18154 4597 1 6 . 1 1 143 143 GLN CB C 143 29.362 29.362 28.307 1.055 18154 4598 1 6 . 1 1 143 143 GLN H H 143 7.380 7.380 8.001 -0.621 18154 4599 1 6 . 1 1 144 144 TRP N N 144 126.680 126.680 121.731 4.949 18154 4600 1 6 . 1 1 144 144 TRP HA H 144 3.334 3.334 4.000 -0.666 18154 4601 1 6 . 1 1 144 144 TRP C C 144 178.200 178.200 178.544 -0.344 18154 4602 1 6 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.836 2.124 18154 4603 1 6 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.311 0.214 18154 4604 1 6 . 1 1 144 144 TRP H H 144 9.215 9.215 8.586 0.629 18154 4605 1 6 . 1 1 145 145 GLY N N 145 100.130 100.130 105.686 -5.556 18154 4606 1 6 . 1 1 145 145 GLY C C 145 177.391 177.391 175.160 2.231 18154 4607 1 6 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.331 -0.572 18154 4608 1 6 . 1 1 145 145 GLY H H 145 8.834 8.834 8.605 0.229 18154 4609 1 6 . 1 1 146 146 THR N N 146 110.831 110.831 114.327 -3.496 18154 4610 1 6 . 1 1 146 146 THR HA H 146 4.319 4.319 4.118 0.201 18154 4611 1 6 . 1 1 146 146 THR C C 146 175.574 175.574 175.644 -0.070 18154 4612 1 6 . 1 1 146 146 THR CA C 146 63.260 63.260 64.388 -1.128 18154 4613 1 6 . 1 1 146 146 THR CB C 146 69.660 69.660 68.399 1.261 18154 4614 1 6 . 1 1 146 146 THR H H 146 7.594 7.594 7.638 -0.044 18154 4615 1 6 . 1 1 147 147 LEU N N 147 120.678 120.678 120.465 0.213 18154 4616 1 6 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.148 -0.090 18154 4617 1 6 . 1 1 147 147 LEU C C 147 177.176 177.176 176.732 0.444 18154 4618 1 6 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.664 -1.350 18154 4619 1 6 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.723 -0.495 18154 4620 1 6 . 1 1 147 147 LEU H H 147 7.458 7.458 7.540 -0.082 18154 4621 1 6 . 1 1 148 148 LEU N N 148 117.062 117.062 118.168 -1.106 18154 4622 1 6 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.787 -0.069 18154 4623 1 6 . 1 1 148 148 LEU C C 148 175.570 175.570 176.619 -1.049 18154 4624 1 6 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.212 -0.261 18154 4625 1 6 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.177 -1.577 18154 4626 1 6 . 1 1 148 148 LEU H H 148 6.482 6.482 6.897 -0.415 18154 4627 1 7 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.800 -0.571 18154 4628 1 7 . 1 1 2 2 ALA C C 2 173.315 173.315 176.322 -3.007 18154 4629 1 7 . 1 1 2 2 ALA CA C 2 51.580 51.580 50.989 0.591 18154 4630 1 7 . 1 1 2 2 ALA CB C 2 20.223 20.223 20.863 -0.640 18154 4631 1 7 . 1 1 3 3 GLU N N 3 121.874 121.874 120.549 1.325 18154 4632 1 7 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.497 -0.223 18154 4633 1 7 . 1 1 3 3 GLU C C 3 174.545 174.545 175.446 -0.901 18154 4634 1 7 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.183 0.667 18154 4635 1 7 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.312 -0.593 18154 4636 1 7 . 1 1 3 3 GLU H H 3 8.696 8.696 8.819 -0.123 18154 4637 1 7 . 1 1 4 4 ILE N N 4 120.672 120.672 125.413 -4.741 18154 4638 1 7 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.656 0.453 18154 4639 1 7 . 1 1 4 4 ILE C C 4 175.463 175.463 174.704 0.759 18154 4640 1 7 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.039 -0.206 18154 4641 1 7 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.479 3.191 18154 4642 1 7 . 1 1 4 4 ILE H H 4 8.860 8.860 9.149 -0.289 18154 4643 1 7 . 1 1 5 5 GLY N N 5 119.310 119.310 114.419 4.891 18154 4644 1 7 . 1 1 5 5 GLY C C 5 171.260 171.260 172.779 -1.519 18154 4645 1 7 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.265 0.555 18154 4646 1 7 . 1 1 5 5 GLY H H 5 8.469 8.469 7.711 0.758 18154 4647 1 7 . 1 1 6 6 ILE N N 6 126.915 126.915 125.855 1.060 18154 4648 1 7 . 1 1 6 6 ILE HA H 6 5.190 5.190 4.878 0.312 18154 4649 1 7 . 1 1 6 6 ILE C C 6 173.901 173.901 174.402 -0.501 18154 4650 1 7 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.596 -0.596 18154 4651 1 7 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.708 -1.708 18154 4652 1 7 . 1 1 6 6 ILE H H 6 9.056 9.056 9.188 -0.132 18154 4653 1 7 . 1 1 7 7 PHE N N 7 127.354 127.354 127.858 -0.504 18154 4654 1 7 . 1 1 7 7 PHE HA H 7 4.512 4.512 4.974 -0.462 18154 4655 1 7 . 1 1 7 7 PHE C C 7 174.230 174.230 174.655 -0.425 18154 4656 1 7 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.704 1.706 18154 4657 1 7 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.215 1.513 18154 4658 1 7 . 1 1 7 7 PHE H H 7 8.960 8.960 9.399 -0.439 18154 4659 1 7 . 1 1 8 8 VAL HA H 8 5.060 5.060 4.961 0.099 18154 4660 1 7 . 1 1 8 8 VAL C C 8 175.450 175.450 175.790 -0.340 18154 4661 1 7 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.268 0.932 18154 4662 1 7 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.878 0.559 18154 4663 1 7 . 1 1 9 9 GLY N N 9 115.000 115.000 116.606 -1.606 18154 4664 1 7 . 1 1 9 9 GLY C C 9 173.150 173.150 172.468 0.682 18154 4665 1 7 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.941 0.058 18154 4666 1 7 . 1 1 9 9 GLY H H 9 9.393 9.393 8.857 0.536 18154 4667 1 7 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.185 0.510 18154 4668 1 7 . 1 1 12 12 TYR C C 12 176.560 176.560 178.040 -1.480 18154 4669 1 7 . 1 1 12 12 TYR CA C 12 57.750 57.750 60.003 -2.253 18154 4670 1 7 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.458 -0.458 18154 4671 1 7 . 1 1 13 13 GLY N N 13 109.870 109.870 113.031 -3.161 18154 4672 1 7 . 1 1 13 13 GLY C C 13 175.930 175.930 174.816 1.114 18154 4673 1 7 . 1 1 13 13 GLY CA C 13 46.000 46.000 45.416 0.584 18154 4674 1 7 . 1 1 13 13 GLY H H 13 8.500 8.500 9.062 -0.562 18154 4675 1 7 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.196 0.034 18154 4676 1 7 . 1 1 17 17 LEU C C 17 179.210 179.210 177.471 1.739 18154 4677 1 7 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.768 0.632 18154 4678 1 7 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.822 -0.521 18154 4679 1 7 . 1 1 18 18 VAL N N 18 117.231 117.231 117.607 -0.376 18154 4680 1 7 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.614 -0.291 18154 4681 1 7 . 1 1 18 18 VAL C C 18 178.460 178.460 177.708 0.752 18154 4682 1 7 . 1 1 18 18 VAL CA C 18 66.866 66.866 65.221 1.645 18154 4683 1 7 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.500 0.960 18154 4684 1 7 . 1 1 18 18 VAL H H 18 7.645 7.645 7.770 -0.125 18154 4685 1 7 . 1 1 19 19 ALA N N 19 121.820 121.820 122.023 -0.203 18154 4686 1 7 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.920 -0.104 18154 4687 1 7 . 1 1 19 19 ALA C C 19 178.180 178.180 179.507 -1.327 18154 4688 1 7 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.604 -0.028 18154 4689 1 7 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.089 1.911 18154 4690 1 7 . 1 1 19 19 ALA H H 19 8.010 8.010 7.897 0.113 18154 4691 1 7 . 1 1 20 20 GLU N N 20 118.960 118.960 118.193 0.767 18154 4692 1 7 . 1 1 20 20 GLU HA H 20 4.016 4.016 3.977 0.039 18154 4693 1 7 . 1 1 20 20 GLU C C 20 180.950 180.950 179.384 1.566 18154 4694 1 7 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.397 0.269 18154 4695 1 7 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.311 -0.011 18154 4696 1 7 . 1 1 20 20 GLU H H 20 8.700 8.700 8.043 0.657 18154 4697 1 7 . 1 1 21 21 GLU N N 21 121.371 121.371 119.594 1.777 18154 4698 1 7 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.095 -0.051 18154 4699 1 7 . 1 1 21 21 GLU C C 21 179.419 179.419 178.747 0.672 18154 4700 1 7 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.159 0.151 18154 4701 1 7 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.323 0.238 18154 4702 1 7 . 1 1 21 21 GLU H H 21 8.632 8.632 7.735 0.897 18154 4703 1 7 . 1 1 22 22 ALA N N 22 121.329 121.329 122.934 -1.605 18154 4704 1 7 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.066 -0.008 18154 4705 1 7 . 1 1 22 22 ALA C C 22 178.823 178.823 179.351 -0.528 18154 4706 1 7 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.615 -0.938 18154 4707 1 7 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.141 -0.498 18154 4708 1 7 . 1 1 22 22 ALA H H 22 8.182 8.182 8.637 -0.455 18154 4709 1 7 . 1 1 23 23 GLU N N 23 119.035 119.035 119.272 -0.237 18154 4710 1 7 . 1 1 23 23 GLU HA H 23 3.404 3.404 3.997 -0.593 18154 4711 1 7 . 1 1 23 23 GLU C C 23 178.375 178.375 178.665 -0.290 18154 4712 1 7 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.668 0.640 18154 4713 1 7 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.627 -0.696 18154 4714 1 7 . 1 1 23 23 GLU H H 23 8.387 8.387 8.375 0.012 18154 4715 1 7 . 1 1 24 24 ALA N N 24 122.207 122.207 122.125 0.082 18154 4716 1 7 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.096 -0.066 18154 4717 1 7 . 1 1 24 24 ALA C C 24 181.132 181.132 179.872 1.260 18154 4718 1 7 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.100 0.387 18154 4719 1 7 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.629 -0.629 18154 4720 1 7 . 1 1 24 24 ALA H H 24 7.535 7.535 7.829 -0.294 18154 4721 1 7 . 1 1 25 25 ILE N N 25 121.059 121.059 120.055 1.004 18154 4722 1 7 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.701 -0.037 18154 4723 1 7 . 1 1 25 25 ILE C C 25 178.419 178.419 177.912 0.507 18154 4724 1 7 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.044 -0.936 18154 4725 1 7 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.111 0.852 18154 4726 1 7 . 1 1 25 25 ILE H H 25 7.800 7.800 8.528 -0.728 18154 4727 1 7 . 1 1 26 26 LEU N N 26 119.307 119.307 120.331 -1.024 18154 4728 1 7 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.148 0.028 18154 4729 1 7 . 1 1 26 26 LEU C C 26 179.863 179.863 179.672 0.191 18154 4730 1 7 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.257 -0.311 18154 4731 1 7 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.333 -0.193 18154 4732 1 7 . 1 1 26 26 LEU H H 26 8.509 8.509 8.607 -0.098 18154 4733 1 7 . 1 1 27 27 THR N N 27 117.830 117.830 116.110 1.720 18154 4734 1 7 . 1 1 27 27 THR HA H 27 4.524 4.524 4.389 0.135 18154 4735 1 7 . 1 1 27 27 THR C C 27 179.027 179.027 176.294 2.733 18154 4736 1 7 . 1 1 27 27 THR CA C 27 66.000 66.000 66.557 -0.557 18154 4737 1 7 . 1 1 27 27 THR CB C 27 68.600 68.600 68.490 0.110 18154 4738 1 7 . 1 1 27 27 THR H H 27 8.796 8.796 8.582 0.214 18154 4739 1 7 . 1 1 28 28 ALA N N 28 126.313 126.313 122.644 3.669 18154 4740 1 7 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.166 0.039 18154 4741 1 7 . 1 1 28 28 ALA C C 28 179.360 179.360 179.565 -0.205 18154 4742 1 7 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.375 0.625 18154 4743 1 7 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.224 -0.574 18154 4744 1 7 . 1 1 28 28 ALA H H 28 7.832 7.832 7.913 -0.081 18154 4745 1 7 . 1 1 29 29 GLN N N 29 115.527 115.527 116.656 -1.129 18154 4746 1 7 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.106 0.021 18154 4747 1 7 . 1 1 29 29 GLN C C 29 176.547 176.547 176.990 -0.443 18154 4748 1 7 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.166 -0.603 18154 4749 1 7 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.614 -0.204 18154 4750 1 7 . 1 1 29 29 GLN H H 29 7.353 7.353 8.205 -0.852 18154 4751 1 7 . 1 1 30 30 GLY N N 30 105.961 105.961 104.324 1.637 18154 4752 1 7 . 1 1 30 30 GLY C C 30 174.785 174.785 174.008 0.777 18154 4753 1 7 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.578 -0.078 18154 4754 1 7 . 1 1 30 30 GLY H H 30 7.923 7.923 7.634 0.289 18154 4755 1 7 . 1 1 31 31 HIS N N 31 119.471 119.471 118.696 0.775 18154 4756 1 7 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.700 0.135 18154 4757 1 7 . 1 1 31 31 HIS C C 31 174.665 174.665 173.886 0.779 18154 4758 1 7 . 1 1 31 31 HIS CA C 31 55.842 55.842 55.386 0.456 18154 4759 1 7 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.941 0.059 18154 4760 1 7 . 1 1 31 31 HIS H H 31 7.558 7.558 8.172 -0.614 18154 4761 1 7 . 1 1 32 32 LYS N N 32 121.854 121.854 121.151 0.703 18154 4762 1 7 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.578 0.145 18154 4763 1 7 . 1 1 32 32 LYS C C 32 174.466 174.466 174.585 -0.119 18154 4764 1 7 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.361 0.504 18154 4765 1 7 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.219 0.741 18154 4766 1 7 . 1 1 32 32 LYS H H 32 8.665 8.665 8.864 -0.199 18154 4767 1 7 . 1 1 33 33 ALA N N 33 130.188 130.188 128.797 1.391 18154 4768 1 7 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.557 0.261 18154 4769 1 7 . 1 1 33 33 ALA C C 33 175.567 175.567 176.592 -1.025 18154 4770 1 7 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.821 -0.844 18154 4771 1 7 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.018 1.279 18154 4772 1 7 . 1 1 33 33 ALA H H 33 8.837 8.837 7.877 0.960 18154 4773 1 7 . 1 1 34 34 THR N N 34 117.164 117.164 117.607 -0.443 18154 4774 1 7 . 1 1 34 34 THR HA H 34 4.359 4.359 4.785 -0.426 18154 4775 1 7 . 1 1 34 34 THR C C 34 171.315 171.315 173.584 -2.269 18154 4776 1 7 . 1 1 34 34 THR CA C 34 61.840 61.840 61.036 0.804 18154 4777 1 7 . 1 1 34 34 THR CB C 34 71.800 71.800 72.419 -0.619 18154 4778 1 7 . 1 1 34 34 THR H H 34 7.826 7.826 8.699 -0.873 18154 4779 1 7 . 1 1 35 35 VAL N N 35 126.650 126.650 124.303 2.347 18154 4780 1 7 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.231 -0.048 18154 4781 1 7 . 1 1 35 35 VAL C C 35 174.675 174.675 175.187 -0.512 18154 4782 1 7 . 1 1 35 35 VAL CA C 35 61.928 61.928 62.229 -0.301 18154 4783 1 7 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.554 0.096 18154 4784 1 7 . 1 1 35 35 VAL H H 35 8.496 8.496 8.708 -0.212 18154 4785 1 7 . 1 1 36 36 PHE N N 36 127.630 127.630 127.161 0.469 18154 4786 1 7 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.692 -0.141 18154 4787 1 7 . 1 1 36 36 PHE C C 36 174.347 174.347 174.416 -0.069 18154 4788 1 7 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.577 0.905 18154 4789 1 7 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.232 -0.067 18154 4790 1 7 . 1 1 36 36 PHE H H 36 9.164 9.164 9.172 -0.008 18154 4791 1 7 . 1 1 37 37 GLU N N 37 123.516 123.516 124.625 -1.109 18154 4792 1 7 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.433 0.037 18154 4793 1 7 . 1 1 37 37 GLU C C 37 175.954 175.954 176.197 -0.243 18154 4794 1 7 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.333 -0.614 18154 4795 1 7 . 1 1 37 37 GLU CB C 37 31.460 31.460 31.219 0.241 18154 4796 1 7 . 1 1 37 37 GLU H H 37 8.455 8.455 8.557 -0.102 18154 4797 1 7 . 1 1 38 38 ASP N N 38 120.395 120.395 121.141 -0.746 18154 4798 1 7 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.590 0.243 18154 4799 1 7 . 1 1 38 38 ASP C C 38 173.920 173.920 174.707 -0.787 18154 4800 1 7 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.041 0.437 18154 4801 1 7 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.624 -0.021 18154 4802 1 7 . 1 1 38 38 ASP H H 38 9.602 9.602 8.649 0.953 18154 4803 1 7 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.678 0.002 18154 4804 1 7 . 1 1 39 39 PRO C C 39 176.274 176.274 176.552 -0.278 18154 4805 1 7 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.596 -0.612 18154 4806 1 7 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.203 1.197 18154 4807 1 7 . 1 1 40 40 GLU N N 40 119.026 119.026 121.716 -2.690 18154 4808 1 7 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.550 0.178 18154 4809 1 7 . 1 1 40 40 GLU C C 40 177.827 177.827 178.454 -0.627 18154 4810 1 7 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.965 -0.995 18154 4811 1 7 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.339 2.061 18154 4812 1 7 . 1 1 40 40 GLU H H 40 9.178 9.178 8.833 0.345 18154 4813 1 7 . 1 1 41 41 LEU N N 41 123.708 123.708 124.947 -1.239 18154 4814 1 7 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.261 -0.367 18154 4815 1 7 . 1 1 41 41 LEU C C 41 178.730 178.730 177.630 1.100 18154 4816 1 7 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.624 0.783 18154 4817 1 7 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.451 0.202 18154 4818 1 7 . 1 1 41 41 LEU H H 41 9.160 9.160 8.851 0.309 18154 4819 1 7 . 1 1 42 42 SER N N 42 110.500 110.500 114.528 -4.028 18154 4820 1 7 . 1 1 42 42 SER HA H 42 4.010 4.010 4.300 -0.290 18154 4821 1 7 . 1 1 42 42 SER C C 42 176.300 176.300 175.011 1.289 18154 4822 1 7 . 1 1 42 42 SER CA C 42 61.600 61.600 60.772 0.828 18154 4823 1 7 . 1 1 42 42 SER CB C 42 62.140 62.140 62.791 -0.651 18154 4824 1 7 . 1 1 42 42 SER H H 42 8.415 8.415 8.600 -0.185 18154 4825 1 7 . 1 1 43 43 ASP N N 43 119.770 119.770 120.799 -1.029 18154 4826 1 7 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.668 -0.211 18154 4827 1 7 . 1 1 43 43 ASP C C 43 176.150 176.150 176.258 -0.108 18154 4828 1 7 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.676 1.074 18154 4829 1 7 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.986 1.714 18154 4830 1 7 . 1 1 43 43 ASP H H 43 7.690 7.690 8.071 -0.381 18154 4831 1 7 . 1 1 44 44 TRP N N 44 118.500 118.500 121.091 -2.591 18154 4832 1 7 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.470 -0.260 18154 4833 1 7 . 1 1 44 44 TRP C C 44 177.150 177.150 177.679 -0.529 18154 4834 1 7 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.511 0.876 18154 4835 1 7 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.254 0.056 18154 4836 1 7 . 1 1 44 44 TRP H H 44 7.464 7.464 7.300 0.164 18154 4837 1 7 . 1 1 45 45 LEU N N 45 114.100 114.100 120.824 -6.724 18154 4838 1 7 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.027 0.148 18154 4839 1 7 . 1 1 45 45 LEU C C 45 176.300 176.300 175.695 0.605 18154 4840 1 7 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.313 -0.753 18154 4841 1 7 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.382 -0.162 18154 4842 1 7 . 1 1 45 45 LEU H H 45 7.550 7.550 8.412 -0.862 18154 4843 1 7 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.171 0.209 18154 4844 1 7 . 1 1 46 46 PRO C C 46 176.799 176.799 177.824 -1.025 18154 4845 1 7 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.761 0.526 18154 4846 1 7 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.131 0.469 18154 4847 1 7 . 1 1 47 47 TYR N N 47 113.790 113.790 116.127 -2.337 18154 4848 1 7 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.446 -0.326 18154 4849 1 7 . 1 1 47 47 TYR C C 47 175.730 175.730 177.499 -1.769 18154 4850 1 7 . 1 1 47 47 TYR CA C 47 59.200 59.200 58.254 0.946 18154 4851 1 7 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.026 0.990 18154 4852 1 7 . 1 1 47 47 TYR H H 47 8.291 8.291 8.125 0.166 18154 4853 1 7 . 1 1 48 48 GLN N N 48 116.524 116.524 120.467 -3.943 18154 4854 1 7 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.974 -0.088 18154 4855 1 7 . 1 1 48 48 GLN C C 48 174.381 174.381 176.478 -2.097 18154 4856 1 7 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.307 0.519 18154 4857 1 7 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.861 2.139 18154 4858 1 7 . 1 1 48 48 GLN H H 48 7.300 7.300 7.521 -0.221 18154 4859 1 7 . 1 1 49 49 ASP N N 49 114.657 114.657 114.279 0.378 18154 4860 1 7 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.659 0.028 18154 4861 1 7 . 1 1 49 49 ASP C C 49 176.307 176.307 175.895 0.412 18154 4862 1 7 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.733 -1.998 18154 4863 1 7 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.364 -1.164 18154 4864 1 7 . 1 1 49 49 ASP H H 49 7.854 7.854 8.290 -0.436 18154 4865 1 7 . 1 1 50 50 LYS N N 50 123.514 123.514 118.843 4.671 18154 4866 1 7 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.621 -0.031 18154 4867 1 7 . 1 1 50 50 LYS C C 50 172.964 172.964 175.152 -2.188 18154 4868 1 7 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.569 -0.876 18154 4869 1 7 . 1 1 50 50 LYS CB C 50 33.355 33.355 35.661 -2.306 18154 4870 1 7 . 1 1 50 50 LYS H H 50 7.833 7.833 7.452 0.381 18154 4871 1 7 . 1 1 51 51 TYR N N 51 118.375 118.375 114.929 3.446 18154 4872 1 7 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.698 0.357 18154 4873 1 7 . 1 1 51 51 TYR C C 51 175.875 175.875 175.651 0.224 18154 4874 1 7 . 1 1 51 51 TYR CA C 51 56.421 56.421 56.605 -0.184 18154 4875 1 7 . 1 1 51 51 TYR CB C 51 42.477 42.477 42.387 0.090 18154 4876 1 7 . 1 1 51 51 TYR H H 51 7.745 7.745 8.339 -0.594 18154 4877 1 7 . 1 1 52 52 VAL N N 52 112.527 112.527 119.411 -6.884 18154 4878 1 7 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.847 0.653 18154 4879 1 7 . 1 1 52 52 VAL C C 52 173.910 173.910 173.348 0.562 18154 4880 1 7 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.825 -2.129 18154 4881 1 7 . 1 1 52 52 VAL CB C 52 36.492 36.492 36.099 0.393 18154 4882 1 7 . 1 1 52 52 VAL H H 52 8.673 8.673 8.525 0.148 18154 4883 1 7 . 1 1 53 53 LEU N N 53 124.294 124.294 127.890 -3.596 18154 4884 1 7 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.365 -0.465 18154 4885 1 7 . 1 1 53 53 LEU C C 53 175.070 175.070 174.392 0.678 18154 4886 1 7 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.213 -0.647 18154 4887 1 7 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.419 -1.190 18154 4888 1 7 . 1 1 53 53 LEU H H 53 9.137 9.137 9.117 0.020 18154 4889 1 7 . 1 1 54 54 VAL N N 54 127.850 127.850 125.480 2.370 18154 4890 1 7 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.852 -0.342 18154 4891 1 7 . 1 1 54 54 VAL C C 54 174.030 174.030 174.519 -0.489 18154 4892 1 7 . 1 1 54 54 VAL CA C 54 61.825 61.825 60.836 0.990 18154 4893 1 7 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.124 -0.433 18154 4894 1 7 . 1 1 54 54 VAL H H 54 8.619 8.619 8.869 -0.250 18154 4895 1 7 . 1 1 55 55 VAL N N 55 127.181 127.181 127.158 0.023 18154 4896 1 7 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.974 0.111 18154 4897 1 7 . 1 1 55 55 VAL C C 55 174.942 174.942 174.544 0.398 18154 4898 1 7 . 1 1 55 55 VAL CA C 55 60.069 60.069 61.100 -1.031 18154 4899 1 7 . 1 1 55 55 VAL CB C 55 33.222 33.222 34.283 -1.061 18154 4900 1 7 . 1 1 55 55 VAL H H 55 8.578 8.578 8.895 -0.317 18154 4901 1 7 . 1 1 56 56 THR N N 56 117.420 117.420 120.367 -2.947 18154 4902 1 7 . 1 1 56 56 THR HA H 56 5.590 5.590 5.013 0.577 18154 4903 1 7 . 1 1 56 56 THR C C 56 172.640 172.640 172.915 -0.275 18154 4904 1 7 . 1 1 56 56 THR CA C 56 59.359 59.359 61.137 -1.778 18154 4905 1 7 . 1 1 56 56 THR CB C 56 70.715 70.715 70.482 0.233 18154 4906 1 7 . 1 1 56 56 THR H H 56 8.710 8.710 8.463 0.247 18154 4907 1 7 . 1 1 57 57 SER HA H 57 5.250 5.250 4.983 0.267 18154 4908 1 7 . 1 1 57 57 SER CA C 57 57.730 57.730 58.087 -0.357 18154 4909 1 7 . 1 1 57 57 SER CB C 57 64.500 64.500 64.719 -0.219 18154 4910 1 7 . 1 1 57 57 SER H H 57 8.075 8.075 8.510 -0.435 18154 4911 1 7 . 1 1 58 58 THR H H 58 7.900 7.900 7.359 0.541 18154 4912 1 7 . 1 1 59 59 THR HA H 59 4.900 4.900 4.255 0.645 18154 4913 1 7 . 1 1 59 59 THR CA C 59 61.200 61.200 65.141 -3.941 18154 4914 1 7 . 1 1 59 59 THR CB C 59 73.400 73.400 68.542 4.858 18154 4915 1 7 . 1 1 59 59 THR H H 59 9.230 9.230 7.818 1.412 18154 4916 1 7 . 1 1 60 60 GLY CA C 60 46.500 46.500 44.769 1.731 18154 4917 1 7 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.316 0.090 18154 4918 1 7 . 1 1 61 61 GLN C C 61 175.950 175.950 176.307 -0.357 18154 4919 1 7 . 1 1 61 61 GLN CA C 61 55.350 55.350 55.673 -0.323 18154 4920 1 7 . 1 1 61 61 GLN CB C 61 29.160 29.160 27.277 1.883 18154 4921 1 7 . 1 1 62 62 GLY N N 62 108.420 108.420 108.740 -0.320 18154 4922 1 7 . 1 1 62 62 GLY C C 62 173.134 173.134 173.529 -0.395 18154 4923 1 7 . 1 1 62 62 GLY CA C 62 45.784 45.784 45.344 0.440 18154 4924 1 7 . 1 1 62 62 GLY H H 62 8.073 8.073 8.224 -0.151 18154 4925 1 7 . 1 1 63 63 ASP N N 63 118.400 118.400 119.822 -1.422 18154 4926 1 7 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.516 0.264 18154 4927 1 7 . 1 1 63 63 ASP CA C 63 53.296 53.296 53.625 -0.329 18154 4928 1 7 . 1 1 63 63 ASP CB C 63 42.740 42.740 42.166 0.574 18154 4929 1 7 . 1 1 63 63 ASP H H 63 7.248 7.248 7.967 -0.719 18154 4930 1 7 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.468 -0.068 18154 4931 1 7 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.498 1.652 18154 4932 1 7 . 1 1 64 64 LEU CB C 64 41.687 41.687 43.481 -1.794 18154 4933 1 7 . 1 1 64 64 LEU H H 64 8.445 8.445 8.161 0.284 18154 4934 1 7 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.492 -0.199 18154 4935 1 7 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.216 0.128 18154 4936 1 7 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.661 -0.181 18154 4937 1 7 . 1 1 66 66 ASP N N 66 121.200 121.200 121.018 0.182 18154 4938 1 7 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.384 -0.124 18154 4939 1 7 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.409 1.221 18154 4940 1 7 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.964 -0.164 18154 4941 1 7 . 1 1 66 66 ASP H H 66 8.605 8.605 8.751 -0.146 18154 4942 1 7 . 1 1 67 67 SER HA H 67 4.292 4.292 4.319 -0.027 18154 4943 1 7 . 1 1 67 67 SER C C 67 175.650 175.650 175.271 0.379 18154 4944 1 7 . 1 1 67 67 SER CA C 67 60.500 60.500 60.402 0.098 18154 4945 1 7 . 1 1 67 67 SER CB C 67 63.530 63.530 63.342 0.188 18154 4946 1 7 . 1 1 68 68 ILE N N 68 120.550 120.550 121.163 -0.613 18154 4947 1 7 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.424 0.686 18154 4948 1 7 . 1 1 68 68 ILE C C 68 174.713 174.713 176.737 -2.024 18154 4949 1 7 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.648 -0.247 18154 4950 1 7 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.137 4.103 18154 4951 1 7 . 1 1 68 68 ILE H H 68 7.870 7.870 7.582 0.288 18154 4952 1 7 . 1 1 69 69 VAL N N 69 125.740 125.740 123.227 2.513 18154 4953 1 7 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.701 0.044 18154 4954 1 7 . 1 1 69 69 VAL C C 69 174.500 174.500 174.771 -0.271 18154 4955 1 7 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.706 -1.156 18154 4956 1 7 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.352 0.778 18154 4957 1 7 . 1 1 69 69 VAL H H 69 7.428 7.428 8.443 -1.015 18154 4958 1 7 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.366 -0.074 18154 4959 1 7 . 1 1 70 70 PRO C C 70 180.820 180.820 178.657 2.163 18154 4960 1 7 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.075 0.396 18154 4961 1 7 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.266 -0.609 18154 4962 1 7 . 1 1 71 71 LEU N N 71 119.467 119.467 120.048 -0.581 18154 4963 1 7 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.039 -0.194 18154 4964 1 7 . 1 1 71 71 LEU C C 71 176.489 176.489 178.400 -1.911 18154 4965 1 7 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.985 0.222 18154 4966 1 7 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.841 -0.355 18154 4967 1 7 . 1 1 71 71 LEU H H 71 7.918 7.918 7.621 0.297 18154 4968 1 7 . 1 1 72 72 PHE N N 72 119.361 119.361 119.414 -0.053 18154 4969 1 7 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.367 -0.222 18154 4970 1 7 . 1 1 72 72 PHE C C 72 175.968 175.968 177.105 -1.137 18154 4971 1 7 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.725 0.096 18154 4972 1 7 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.682 0.865 18154 4973 1 7 . 1 1 72 72 PHE H H 72 7.903 7.903 8.773 -0.870 18154 4974 1 7 . 1 1 73 73 GLN N N 73 116.100 116.100 116.770 -0.670 18154 4975 1 7 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.754 -0.227 18154 4976 1 7 . 1 1 73 73 GLN C C 73 177.871 177.871 178.533 -0.662 18154 4977 1 7 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.963 -0.823 18154 4978 1 7 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.472 -0.325 18154 4979 1 7 . 1 1 73 73 GLN H H 73 9.042 9.042 8.627 0.415 18154 4980 1 7 . 1 1 74 74 GLY N N 74 107.110 107.110 108.586 -1.476 18154 4981 1 7 . 1 1 74 74 GLY C C 74 175.894 175.894 176.175 -0.281 18154 4982 1 7 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.941 0.339 18154 4983 1 7 . 1 1 74 74 GLY H H 74 8.045 8.045 8.162 -0.117 18154 4984 1 7 . 1 1 75 75 ILE N N 75 123.629 123.629 122.807 0.822 18154 4985 1 7 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.339 -0.289 18154 4986 1 7 . 1 1 75 75 ILE C C 75 178.622 178.622 177.115 1.507 18154 4987 1 7 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.939 0.318 18154 4988 1 7 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.374 0.594 18154 4989 1 7 . 1 1 75 75 ILE H H 75 8.174 8.174 8.153 0.021 18154 4990 1 7 . 1 1 76 76 LYS N N 76 119.363 119.363 118.696 0.667 18154 4991 1 7 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.757 -0.452 18154 4992 1 7 . 1 1 76 76 LYS C C 76 177.909 177.909 178.223 -0.314 18154 4993 1 7 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.299 0.406 18154 4994 1 7 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.898 0.452 18154 4995 1 7 . 1 1 76 76 LYS H H 76 7.600 7.600 7.390 0.210 18154 4996 1 7 . 1 1 77 77 ASP N N 77 115.190 115.190 118.085 -2.895 18154 4997 1 7 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.548 -0.066 18154 4998 1 7 . 1 1 77 77 ASP C C 77 178.825 178.825 178.296 0.529 18154 4999 1 7 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.184 0.095 18154 5000 1 7 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.827 -0.637 18154 5001 1 7 . 1 1 77 77 ASP H H 77 8.482 8.482 8.320 0.162 18154 5002 1 7 . 1 1 78 78 SER N N 78 112.576 112.576 116.165 -3.589 18154 5003 1 7 . 1 1 78 78 SER HA H 78 4.728 4.728 4.380 0.348 18154 5004 1 7 . 1 1 78 78 SER C C 78 174.556 174.556 174.979 -0.423 18154 5005 1 7 . 1 1 78 78 SER CA C 78 60.045 60.045 60.629 -0.584 18154 5006 1 7 . 1 1 78 78 SER CB C 78 64.643 64.643 63.857 0.786 18154 5007 1 7 . 1 1 78 78 SER H H 78 8.273 8.273 8.018 0.255 18154 5008 1 7 . 1 1 79 79 LEU N N 79 120.833 120.833 121.034 -0.201 18154 5009 1 7 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.420 0.395 18154 5010 1 7 . 1 1 79 79 LEU C C 79 176.251 176.251 178.749 -2.498 18154 5011 1 7 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.263 -2.303 18154 5012 1 7 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.343 -3.147 18154 5013 1 7 . 1 1 79 79 LEU H H 79 7.025 7.025 7.513 -0.488 18154 5014 1 7 . 1 1 80 80 GLY N N 80 108.861 108.861 107.112 1.749 18154 5015 1 7 . 1 1 80 80 GLY C C 80 173.623 173.623 173.695 -0.072 18154 5016 1 7 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.389 -0.161 18154 5017 1 7 . 1 1 80 80 GLY H H 80 7.499 7.499 8.191 -0.692 18154 5018 1 7 . 1 1 81 81 PHE N N 81 121.441 121.441 119.087 2.354 18154 5019 1 7 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.870 0.190 18154 5020 1 7 . 1 1 81 81 PHE C C 81 174.411 174.411 172.549 1.862 18154 5021 1 7 . 1 1 81 81 PHE CA C 81 57.211 57.211 56.881 0.330 18154 5022 1 7 . 1 1 81 81 PHE CB C 81 40.620 40.620 42.151 -1.531 18154 5023 1 7 . 1 1 81 81 PHE H H 81 8.018 8.018 7.309 0.709 18154 5024 1 7 . 1 1 82 82 GLN N N 82 126.480 126.480 122.653 3.827 18154 5025 1 7 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.575 0.315 18154 5026 1 7 . 1 1 82 82 GLN C C 82 172.700 172.700 173.349 -0.649 18154 5027 1 7 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.132 2.045 18154 5028 1 7 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.062 2.538 18154 5029 1 7 . 1 1 82 82 GLN H H 82 9.588 9.588 7.639 1.949 18154 5030 1 7 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.148 0.225 18154 5031 1 7 . 1 1 83 83 PRO C C 83 178.163 178.163 176.640 1.523 18154 5032 1 7 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.206 -0.515 18154 5033 1 7 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.661 -0.796 18154 5034 1 7 . 1 1 84 84 ASN N N 84 116.900 116.900 113.624 3.276 18154 5035 1 7 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.818 -0.049 18154 5036 1 7 . 1 1 84 84 ASN C C 84 173.332 173.332 173.310 0.022 18154 5037 1 7 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.751 -0.191 18154 5038 1 7 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.616 -1.356 18154 5039 1 7 . 1 1 84 84 ASN H H 84 8.578 8.578 7.881 0.697 18154 5040 1 7 . 1 1 85 85 LEU N N 85 124.380 124.380 122.758 1.622 18154 5041 1 7 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.249 -0.203 18154 5042 1 7 . 1 1 85 85 LEU C C 85 175.880 175.880 175.829 0.051 18154 5043 1 7 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.836 1.006 18154 5044 1 7 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.159 -0.859 18154 5045 1 7 . 1 1 85 85 LEU H H 85 7.240 7.240 7.656 -0.416 18154 5046 1 7 . 1 1 86 86 ARG N N 86 128.715 128.715 123.970 4.745 18154 5047 1 7 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.712 0.082 18154 5048 1 7 . 1 1 86 86 ARG C C 86 175.554 175.554 175.773 -0.219 18154 5049 1 7 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.271 1.171 18154 5050 1 7 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.474 -0.600 18154 5051 1 7 . 1 1 86 86 ARG H H 86 7.732 7.732 7.806 -0.074 18154 5052 1 7 . 1 1 87 87 TYR N N 87 117.420 117.420 117.586 -0.166 18154 5053 1 7 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.830 0.935 18154 5054 1 7 . 1 1 87 87 TYR C C 87 172.931 172.931 173.583 -0.652 18154 5055 1 7 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.284 -1.023 18154 5056 1 7 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.530 3.408 18154 5057 1 7 . 1 1 87 87 TYR H H 87 8.783 8.783 8.132 0.651 18154 5058 1 7 . 1 1 88 88 GLY N N 88 107.765 107.765 105.388 2.377 18154 5059 1 7 . 1 1 88 88 GLY C C 88 172.621 172.621 171.450 1.171 18154 5060 1 7 . 1 1 88 88 GLY CA C 88 43.861 43.861 43.899 -0.038 18154 5061 1 7 . 1 1 88 88 GLY H H 88 8.905 8.905 8.670 0.235 18154 5062 1 7 . 1 1 89 89 VAL N N 89 118.180 118.180 118.835 -0.655 18154 5063 1 7 . 1 1 89 89 VAL HA H 89 5.001 5.001 5.100 -0.099 18154 5064 1 7 . 1 1 89 89 VAL C C 89 172.939 172.939 173.324 -0.385 18154 5065 1 7 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.123 0.876 18154 5066 1 7 . 1 1 89 89 VAL CB C 89 36.398 36.398 36.050 0.348 18154 5067 1 7 . 1 1 89 89 VAL H H 89 7.499 7.499 8.421 -0.922 18154 5068 1 7 . 1 1 90 90 ILE N N 90 125.000 125.000 126.754 -1.754 18154 5069 1 7 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.040 0.087 18154 5070 1 7 . 1 1 90 90 ILE C C 90 173.099 173.099 173.745 -0.646 18154 5071 1 7 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.677 0.811 18154 5072 1 7 . 1 1 90 90 ILE CB C 90 40.398 40.398 39.837 0.561 18154 5073 1 7 . 1 1 90 90 ILE H H 90 8.810 8.810 8.593 0.217 18154 5074 1 7 . 1 1 91 91 ALA N N 91 129.036 129.036 129.873 -0.837 18154 5075 1 7 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.259 0.067 18154 5076 1 7 . 1 1 91 91 ALA C C 91 174.000 174.000 175.762 -1.762 18154 5077 1 7 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.773 -0.773 18154 5078 1 7 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.177 0.923 18154 5079 1 7 . 1 1 91 91 ALA H H 91 9.253 9.253 8.867 0.386 18154 5080 1 7 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.061 -0.130 18154 5081 1 7 . 1 1 92 92 LEU C C 92 177.366 177.366 176.297 1.069 18154 5082 1 7 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.196 0.721 18154 5083 1 7 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.339 -2.939 18154 5084 1 7 . 1 1 93 93 GLY N N 93 110.663 110.663 107.948 2.715 18154 5085 1 7 . 1 1 93 93 GLY C C 93 172.029 172.029 171.864 0.165 18154 5086 1 7 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.996 -0.266 18154 5087 1 7 . 1 1 93 93 GLY H H 93 8.687 8.687 8.572 0.115 18154 5088 1 7 . 1 1 94 94 ASP N N 94 119.304 119.304 120.622 -1.318 18154 5089 1 7 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.471 -0.211 18154 5090 1 7 . 1 1 94 94 ASP C C 94 176.978 176.978 176.818 0.160 18154 5091 1 7 . 1 1 94 94 ASP CA C 94 53.607 53.607 51.707 1.900 18154 5092 1 7 . 1 1 94 94 ASP CB C 94 43.000 43.000 42.506 0.494 18154 5093 1 7 . 1 1 94 94 ASP H H 94 8.129 8.129 8.566 -0.437 18154 5094 1 7 . 1 1 95 95 SER N N 95 123.897 123.897 121.842 2.055 18154 5095 1 7 . 1 1 95 95 SER HA H 95 3.895 3.895 4.008 -0.113 18154 5096 1 7 . 1 1 95 95 SER C C 95 175.243 175.243 175.263 -0.020 18154 5097 1 7 . 1 1 95 95 SER CA C 95 60.183 60.183 58.933 1.250 18154 5098 1 7 . 1 1 95 95 SER CB C 95 61.700 61.700 62.742 -1.042 18154 5099 1 7 . 1 1 95 95 SER H H 95 8.878 8.878 9.395 -0.517 18154 5100 1 7 . 1 1 96 96 SER N N 96 119.248 119.248 115.636 3.612 18154 5101 1 7 . 1 1 96 96 SER HA H 96 4.209 4.209 4.362 -0.153 18154 5102 1 7 . 1 1 96 96 SER C C 96 173.900 173.900 174.736 -0.836 18154 5103 1 7 . 1 1 96 96 SER CA C 96 60.197 60.197 59.291 0.906 18154 5104 1 7 . 1 1 96 96 SER CB C 96 63.000 63.000 63.767 -0.767 18154 5105 1 7 . 1 1 96 96 SER H H 96 9.124 9.124 8.364 0.760 18154 5106 1 7 . 1 1 97 97 TYR N N 97 120.889 120.889 121.551 -0.662 18154 5107 1 7 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.506 0.382 18154 5108 1 7 . 1 1 97 97 TYR C C 97 175.972 175.972 177.853 -1.881 18154 5109 1 7 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.786 -3.036 18154 5110 1 7 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.375 0.445 18154 5111 1 7 . 1 1 97 97 TYR H H 97 7.664 7.664 7.795 -0.131 18154 5112 1 7 . 1 1 98 98 VAL N N 98 116.952 116.952 121.685 -4.733 18154 5113 1 7 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.806 0.254 18154 5114 1 7 . 1 1 98 98 VAL C C 98 175.969 175.969 176.043 -0.074 18154 5115 1 7 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.010 -2.170 18154 5116 1 7 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.761 0.839 18154 5117 1 7 . 1 1 98 98 VAL H H 98 7.970 7.970 8.392 -0.422 18154 5118 1 7 . 1 1 99 99 ASN N N 99 118.156 118.156 117.657 0.499 18154 5119 1 7 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.782 -0.271 18154 5120 1 7 . 1 1 99 99 ASN C C 99 174.329 174.329 175.481 -1.152 18154 5121 1 7 . 1 1 99 99 ASN CA C 99 53.031 53.031 52.222 0.809 18154 5122 1 7 . 1 1 99 99 ASN CB C 99 37.238 37.238 38.538 -1.300 18154 5123 1 7 . 1 1 99 99 ASN H H 99 8.296 8.296 7.908 0.388 18154 5124 1 7 . 1 1 100 100 PHE N N 100 118.649 118.649 120.753 -2.104 18154 5125 1 7 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.192 0.223 18154 5126 1 7 . 1 1 100 100 PHE C C 100 174.400 174.400 175.573 -1.173 18154 5127 1 7 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.462 -3.272 18154 5128 1 7 . 1 1 100 100 PHE CB C 100 39.679 39.679 38.002 1.677 18154 5129 1 7 . 1 1 100 100 PHE H H 100 7.855 7.855 7.877 -0.022 18154 5130 1 7 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.228 -0.643 18154 5131 1 7 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.737 5.003 18154 5132 1 7 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.142 -1.142 18154 5133 1 7 . 1 1 101 101 CYS H H 101 9.240 9.240 8.016 1.224 18154 5134 1 7 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.387 -0.167 18154 5135 1 7 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.841 0.359 18154 5136 1 7 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.661 -0.061 18154 5137 1 7 . 1 1 102 102 ASN H H 102 8.300 8.300 8.756 -0.456 18154 5138 1 7 . 1 1 103 103 GLY C C 103 175.690 175.690 175.755 -0.065 18154 5139 1 7 . 1 1 103 103 GLY CA C 103 47.350 47.350 46.851 0.499 18154 5140 1 7 . 1 1 104 104 GLY N N 104 106.150 106.150 109.988 -3.838 18154 5141 1 7 . 1 1 104 104 GLY C C 104 174.570 174.570 176.194 -1.624 18154 5142 1 7 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.383 0.966 18154 5143 1 7 . 1 1 104 104 GLY H H 104 7.108 7.108 7.704 -0.596 18154 5144 1 7 . 1 1 105 105 LYS N N 105 120.732 120.732 122.366 -1.634 18154 5145 1 7 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.964 -0.027 18154 5146 1 7 . 1 1 105 105 LYS C C 105 179.706 179.706 179.171 0.535 18154 5147 1 7 . 1 1 105 105 LYS CA C 105 60.308 60.308 60.027 0.281 18154 5148 1 7 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.263 -0.466 18154 5149 1 7 . 1 1 105 105 LYS H H 105 7.708 7.708 7.931 -0.223 18154 5150 1 7 . 1 1 106 106 GLN N N 106 119.087 119.087 117.999 1.088 18154 5151 1 7 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.187 -0.045 18154 5152 1 7 . 1 1 106 106 GLN C C 106 179.418 179.418 178.483 0.935 18154 5153 1 7 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.295 0.580 18154 5154 1 7 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.164 0.595 18154 5155 1 7 . 1 1 106 106 GLN H H 106 8.738 8.738 8.545 0.193 18154 5156 1 7 . 1 1 107 107 PHE N N 107 123.088 123.088 120.681 2.407 18154 5157 1 7 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.380 -0.130 18154 5158 1 7 . 1 1 107 107 PHE C C 107 178.403 178.403 177.738 0.665 18154 5159 1 7 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.967 0.219 18154 5160 1 7 . 1 1 107 107 PHE CB C 107 39.451 39.451 39.014 0.438 18154 5161 1 7 . 1 1 107 107 PHE H H 107 7.922 7.922 8.191 -0.269 18154 5162 1 7 . 1 1 108 108 ASP N N 108 117.118 117.118 120.428 -3.310 18154 5163 1 7 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.507 -0.133 18154 5164 1 7 . 1 1 108 108 ASP C C 108 176.973 176.973 178.358 -1.385 18154 5165 1 7 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.766 0.663 18154 5166 1 7 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.073 3.050 18154 5167 1 7 . 1 1 108 108 ASP H H 108 8.305 8.305 8.257 0.048 18154 5168 1 7 . 1 1 109 109 ALA N N 109 118.590 118.590 122.095 -3.505 18154 5169 1 7 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.058 -0.008 18154 5170 1 7 . 1 1 109 109 ALA C C 109 180.430 180.430 179.338 1.092 18154 5171 1 7 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.093 0.103 18154 5172 1 7 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.631 -0.524 18154 5173 1 7 . 1 1 109 109 ALA H H 109 8.332 8.332 8.298 0.034 18154 5174 1 7 . 1 1 110 110 LEU N N 110 120.402 120.402 119.938 0.464 18154 5175 1 7 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.997 0.088 18154 5176 1 7 . 1 1 110 110 LEU C C 110 177.801 177.801 178.770 -0.969 18154 5177 1 7 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.768 -0.128 18154 5178 1 7 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.732 1.024 18154 5179 1 7 . 1 1 110 110 LEU H H 110 7.868 7.868 7.984 -0.116 18154 5180 1 7 . 1 1 111 111 LEU N N 111 116.945 116.945 116.565 0.380 18154 5181 1 7 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.787 -0.069 18154 5182 1 7 . 1 1 111 111 LEU C C 111 179.838 179.838 179.353 0.485 18154 5183 1 7 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.371 0.594 18154 5184 1 7 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.061 -2.201 18154 5185 1 7 . 1 1 111 111 LEU H H 111 7.704 7.704 7.194 0.510 18154 5186 1 7 . 1 1 112 112 GLN N N 112 118.484 118.484 117.223 1.261 18154 5187 1 7 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.164 -0.023 18154 5188 1 7 . 1 1 112 112 GLN C C 112 181.218 181.218 177.975 3.243 18154 5189 1 7 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.635 1.331 18154 5190 1 7 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.269 0.991 18154 5191 1 7 . 1 1 112 112 GLN H H 112 8.441 8.441 8.095 0.346 18154 5192 1 7 . 1 1 113 113 GLU N N 113 122.905 122.905 115.942 6.963 18154 5193 1 7 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.166 0.015 18154 5194 1 7 . 1 1 113 113 GLU C C 113 178.001 178.001 177.282 0.719 18154 5195 1 7 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.513 1.472 18154 5196 1 7 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.496 -0.226 18154 5197 1 7 . 1 1 113 113 GLU H H 113 8.305 8.305 7.859 0.446 18154 5198 1 7 . 1 1 114 114 GLN N N 114 117.332 117.332 117.929 -0.597 18154 5199 1 7 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.285 0.310 18154 5200 1 7 . 1 1 114 114 GLN C C 114 174.538 174.538 176.704 -2.166 18154 5201 1 7 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.490 -1.073 18154 5202 1 7 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.700 -4.870 18154 5203 1 7 . 1 1 114 114 GLN H H 114 7.520 7.520 7.475 0.045 18154 5204 1 7 . 1 1 115 115 SER N N 115 109.100 109.100 109.616 -0.516 18154 5205 1 7 . 1 1 115 115 SER HA H 115 4.200 4.200 4.552 -0.352 18154 5206 1 7 . 1 1 115 115 SER C C 115 172.302 172.302 173.573 -1.271 18154 5207 1 7 . 1 1 115 115 SER CA C 115 60.400 60.400 58.432 1.968 18154 5208 1 7 . 1 1 115 115 SER CB C 115 61.325 61.325 66.034 -4.709 18154 5209 1 7 . 1 1 115 115 SER H H 115 7.950 7.950 7.825 0.125 18154 5210 1 7 . 1 1 116 116 ALA N N 116 121.059 121.059 125.602 -4.543 18154 5211 1 7 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.356 0.438 18154 5212 1 7 . 1 1 116 116 ALA C C 116 176.774 176.774 175.862 0.912 18154 5213 1 7 . 1 1 116 116 ALA CA C 116 51.690 51.690 51.817 -0.127 18154 5214 1 7 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.855 0.510 18154 5215 1 7 . 1 1 116 116 ALA H H 116 7.813 7.813 7.960 -0.147 18154 5216 1 7 . 1 1 117 117 GLN N N 117 118.000 118.000 118.702 -0.702 18154 5217 1 7 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.717 -0.099 18154 5218 1 7 . 1 1 117 117 GLN C C 117 173.769 173.769 174.987 -1.218 18154 5219 1 7 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.406 0.151 18154 5220 1 7 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.859 -1.124 18154 5221 1 7 . 1 1 117 117 GLN H H 117 8.591 8.591 8.310 0.281 18154 5222 1 7 . 1 1 118 118 ARG N N 118 127.947 127.947 125.658 2.289 18154 5223 1 7 . 1 1 118 118 ARG HA H 118 3.308 3.308 3.144 0.164 18154 5224 1 7 . 1 1 118 118 ARG C C 118 176.758 176.758 175.379 1.379 18154 5225 1 7 . 1 1 118 118 ARG CA C 118 56.186 56.186 56.241 -0.055 18154 5226 1 7 . 1 1 118 118 ARG CB C 118 30.310 30.310 31.136 -0.826 18154 5227 1 7 . 1 1 118 118 ARG H H 118 8.659 8.659 8.788 -0.129 18154 5228 1 7 . 1 1 119 119 VAL N N 119 131.939 131.939 124.226 7.713 18154 5229 1 7 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.256 -0.143 18154 5230 1 7 . 1 1 119 119 VAL C C 119 176.775 176.775 176.482 0.293 18154 5231 1 7 . 1 1 119 119 VAL CA C 119 62.174 62.174 62.091 0.083 18154 5232 1 7 . 1 1 119 119 VAL CB C 119 32.394 32.394 32.299 0.095 18154 5233 1 7 . 1 1 119 119 VAL H H 119 9.520 9.520 8.322 1.198 18154 5234 1 7 . 1 1 120 120 GLY N N 120 116.074 116.074 116.082 -0.008 18154 5235 1 7 . 1 1 120 120 GLY C C 120 172.757 172.757 173.507 -0.750 18154 5236 1 7 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.591 -1.693 18154 5237 1 7 . 1 1 120 120 GLY H H 120 8.755 8.755 8.484 0.271 18154 5238 1 7 . 1 1 121 121 GLU N N 121 118.754 118.754 119.745 -0.991 18154 5239 1 7 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.872 -0.206 18154 5240 1 7 . 1 1 121 121 GLU C C 121 177.419 177.419 176.451 0.968 18154 5241 1 7 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.433 0.058 18154 5242 1 7 . 1 1 121 121 GLU CB C 121 31.498 31.498 31.473 0.025 18154 5243 1 7 . 1 1 121 121 GLU H H 121 8.594 8.594 8.601 -0.007 18154 5244 1 7 . 1 1 122 122 MET N N 122 122.642 122.642 120.199 2.443 18154 5245 1 7 . 1 1 122 122 MET HA H 122 4.415 4.415 5.109 -0.694 18154 5246 1 7 . 1 1 122 122 MET C C 122 175.351 175.351 174.826 0.525 18154 5247 1 7 . 1 1 122 122 MET CA C 122 57.024 57.024 54.436 2.588 18154 5248 1 7 . 1 1 122 122 MET CB C 122 34.210 34.210 33.683 0.527 18154 5249 1 7 . 1 1 122 122 MET H H 122 8.892 8.892 8.624 0.268 18154 5250 1 7 . 1 1 123 123 LEU N N 123 129.535 129.535 122.043 7.492 18154 5251 1 7 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.461 -0.111 18154 5252 1 7 . 1 1 123 123 LEU C C 123 173.124 173.124 174.543 -1.419 18154 5253 1 7 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.039 0.700 18154 5254 1 7 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.817 -1.739 18154 5255 1 7 . 1 1 123 123 LEU H H 123 7.868 7.868 7.397 0.471 18154 5256 1 7 . 1 1 124 124 LEU N N 124 127.120 127.120 125.837 1.283 18154 5257 1 7 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.619 0.436 18154 5258 1 7 . 1 1 124 124 LEU C C 124 176.379 176.379 176.145 0.234 18154 5259 1 7 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.068 0.482 18154 5260 1 7 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.472 -1.094 18154 5261 1 7 . 1 1 124 124 LEU H H 124 8.346 8.346 8.257 0.089 18154 5262 1 7 . 1 1 125 125 ILE N N 125 124.337 124.337 125.063 -0.726 18154 5263 1 7 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.284 -0.104 18154 5264 1 7 . 1 1 125 125 ILE C C 125 174.303 174.303 175.086 -0.783 18154 5265 1 7 . 1 1 125 125 ILE CA C 125 61.100 61.100 61.987 -0.887 18154 5266 1 7 . 1 1 125 125 ILE CB C 125 39.943 39.943 39.931 0.012 18154 5267 1 7 . 1 1 125 125 ILE H H 125 8.974 8.974 8.599 0.375 18154 5268 1 7 . 1 1 126 126 ASP N N 126 127.113 127.113 128.673 -1.560 18154 5269 1 7 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.510 -0.395 18154 5270 1 7 . 1 1 126 126 ASP C C 126 176.766 176.766 176.282 0.484 18154 5271 1 7 . 1 1 126 126 ASP CA C 126 51.847 51.847 51.936 -0.089 18154 5272 1 7 . 1 1 126 126 ASP CB C 126 41.100 41.100 42.376 -1.276 18154 5273 1 7 . 1 1 126 126 ASP H H 126 9.397 9.397 8.584 0.813 18154 5274 1 7 . 1 1 127 127 ALA N N 127 131.178 131.178 130.935 0.243 18154 5275 1 7 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.520 -0.204 18154 5276 1 7 . 1 1 127 127 ALA C C 127 178.530 178.530 178.720 -0.190 18154 5277 1 7 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.126 -0.279 18154 5278 1 7 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.120 -0.328 18154 5279 1 7 . 1 1 127 127 ALA H H 127 9.696 9.696 9.150 0.546 18154 5280 1 7 . 1 1 128 128 SER N N 128 112.064 112.064 112.043 0.021 18154 5281 1 7 . 1 1 128 128 SER HA H 128 4.224 4.224 4.324 -0.100 18154 5282 1 7 . 1 1 128 128 SER C C 128 175.000 175.000 175.367 -0.367 18154 5283 1 7 . 1 1 128 128 SER CA C 128 61.246 61.246 60.642 0.604 18154 5284 1 7 . 1 1 128 128 SER CB C 128 63.310 63.310 63.573 -0.263 18154 5285 1 7 . 1 1 128 128 SER H H 128 8.373 8.373 8.075 0.298 18154 5286 1 7 . 1 1 129 129 GLU N N 129 119.468 119.468 118.745 0.723 18154 5287 1 7 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.463 -0.063 18154 5288 1 7 . 1 1 129 129 GLU C C 129 175.947 175.947 176.191 -0.244 18154 5289 1 7 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.789 -0.374 18154 5290 1 7 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.872 -0.141 18154 5291 1 7 . 1 1 129 129 GLU H H 129 7.267 7.267 7.668 -0.401 18154 5292 1 7 . 1 1 130 130 ASN N N 130 115.968 115.968 117.750 -1.782 18154 5293 1 7 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.108 0.058 18154 5294 1 7 . 1 1 130 130 ASN C C 130 172.000 172.000 173.766 -1.766 18154 5295 1 7 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.870 -0.647 18154 5296 1 7 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.869 -0.203 18154 5297 1 7 . 1 1 130 130 ASN H H 130 8.072 8.072 8.096 -0.024 18154 5298 1 7 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.601 -0.051 18154 5299 1 7 . 1 1 131 131 PRO C C 131 176.400 176.400 176.354 0.046 18154 5300 1 7 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.560 -0.060 18154 5301 1 7 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.899 0.401 18154 5302 1 7 . 1 1 132 132 GLU N N 132 119.000 119.000 118.765 0.235 18154 5303 1 7 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.848 0.172 18154 5304 1 7 . 1 1 132 132 GLU C C 132 174.200 174.200 175.206 -1.006 18154 5305 1 7 . 1 1 132 132 GLU CA C 132 53.000 53.000 52.975 0.025 18154 5306 1 7 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.381 0.319 18154 5307 1 7 . 1 1 132 132 GLU H H 132 7.690 7.690 8.131 -0.441 18154 5308 1 7 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.201 -0.201 18154 5309 1 7 . 1 1 133 133 PRO C C 133 177.391 177.391 178.069 -0.678 18154 5310 1 7 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.282 0.187 18154 5311 1 7 . 1 1 133 133 PRO CB C 133 32.145 32.145 32.015 0.130 18154 5312 1 7 . 1 1 134 134 GLU N N 134 122.846 122.846 117.817 5.029 18154 5313 1 7 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.227 0.993 18154 5314 1 7 . 1 1 134 134 GLU C C 134 178.385 178.385 178.666 -0.281 18154 5315 1 7 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.514 -1.922 18154 5316 1 7 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.225 -1.635 18154 5317 1 7 . 1 1 134 134 GLU H H 134 10.707 10.707 8.883 1.824 18154 5318 1 7 . 1 1 135 135 THR N N 135 113.016 113.016 111.331 1.685 18154 5319 1 7 . 1 1 135 135 THR HA H 135 4.182 4.182 4.212 -0.030 18154 5320 1 7 . 1 1 135 135 THR C C 135 176.460 176.460 175.954 0.506 18154 5321 1 7 . 1 1 135 135 THR CA C 135 64.752 64.752 64.828 -0.076 18154 5322 1 7 . 1 1 135 135 THR CB C 135 69.248 69.248 68.844 0.404 18154 5323 1 7 . 1 1 135 135 THR H H 135 8.168 8.168 8.109 0.059 18154 5324 1 7 . 1 1 136 136 GLU N N 136 118.978 118.978 121.556 -2.578 18154 5325 1 7 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.379 0.185 18154 5326 1 7 . 1 1 136 136 GLU C C 136 178.370 178.370 178.569 -0.199 18154 5327 1 7 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.663 -1.750 18154 5328 1 7 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.426 1.674 18154 5329 1 7 . 1 1 136 136 GLU H H 136 7.680 7.680 7.759 -0.079 18154 5330 1 7 . 1 1 137 137 SER N N 137 116.501 116.501 115.565 0.936 18154 5331 1 7 . 1 1 137 137 SER HA H 137 4.033 4.033 4.228 -0.195 18154 5332 1 7 . 1 1 137 137 SER C C 137 175.670 175.670 176.610 -0.940 18154 5333 1 7 . 1 1 137 137 SER CA C 137 62.330 62.330 61.826 0.504 18154 5334 1 7 . 1 1 137 137 SER CB C 137 61.380 61.380 63.036 -1.656 18154 5335 1 7 . 1 1 137 137 SER H H 137 8.824 8.824 8.199 0.625 18154 5336 1 7 . 1 1 138 138 ASN N N 138 123.517 123.517 121.515 2.002 18154 5337 1 7 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.697 -0.106 18154 5338 1 7 . 1 1 138 138 ASN C C 138 175.700 175.700 175.351 0.349 18154 5339 1 7 . 1 1 138 138 ASN CA C 138 57.486 57.486 58.032 -0.546 18154 5340 1 7 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.093 -2.840 18154 5341 1 7 . 1 1 138 138 ASN H H 138 8.564 8.564 8.556 0.008 18154 5342 1 7 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.331 0.124 18154 5343 1 7 . 1 1 139 139 PRO C C 139 180.033 180.033 178.399 1.634 18154 5344 1 7 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.228 0.382 18154 5345 1 7 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.295 -0.759 18154 5346 1 7 . 1 1 140 140 TRP N N 140 119.700 119.700 121.638 -1.938 18154 5347 1 7 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.423 -0.090 18154 5348 1 7 . 1 1 140 140 TRP C C 140 179.195 179.195 178.026 1.169 18154 5349 1 7 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.608 0.572 18154 5350 1 7 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.539 1.212 18154 5351 1 7 . 1 1 140 140 TRP H H 140 7.057 7.057 7.509 -0.452 18154 5352 1 7 . 1 1 141 141 VAL N N 141 122.879 122.879 118.945 3.934 18154 5353 1 7 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.788 -0.052 18154 5354 1 7 . 1 1 141 141 VAL C C 141 177.416 177.416 178.837 -1.421 18154 5355 1 7 . 1 1 141 141 VAL CA C 141 66.716 66.716 66.742 -0.025 18154 5356 1 7 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.026 0.406 18154 5357 1 7 . 1 1 141 141 VAL H H 141 9.629 9.629 8.900 0.729 18154 5358 1 7 . 1 1 142 142 GLU N N 142 119.965 119.965 119.643 0.322 18154 5359 1 7 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.084 -0.352 18154 5360 1 7 . 1 1 142 142 GLU C C 142 178.800 178.800 178.700 0.100 18154 5361 1 7 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.386 -0.055 18154 5362 1 7 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.373 0.186 18154 5363 1 7 . 1 1 142 142 GLU H H 142 8.551 8.551 8.219 0.332 18154 5364 1 7 . 1 1 143 143 GLN N N 143 115.364 115.364 119.526 -4.162 18154 5365 1 7 . 1 1 143 143 GLN HA H 143 4.290 4.290 4.091 0.199 18154 5366 1 7 . 1 1 143 143 GLN C C 143 177.840 177.840 177.792 0.048 18154 5367 1 7 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.538 0.825 18154 5368 1 7 . 1 1 143 143 GLN CB C 143 29.362 29.362 29.059 0.303 18154 5369 1 7 . 1 1 143 143 GLN H H 143 7.380 7.380 7.832 -0.452 18154 5370 1 7 . 1 1 144 144 TRP N N 144 126.680 126.680 122.271 4.409 18154 5371 1 7 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.969 -0.635 18154 5372 1 7 . 1 1 144 144 TRP C C 144 178.200 178.200 178.527 -0.327 18154 5373 1 7 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.650 2.310 18154 5374 1 7 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.309 0.216 18154 5375 1 7 . 1 1 144 144 TRP H H 144 9.215 9.215 8.637 0.578 18154 5376 1 7 . 1 1 145 145 GLY N N 145 100.130 100.130 105.360 -5.230 18154 5377 1 7 . 1 1 145 145 GLY C C 145 177.391 177.391 175.524 1.867 18154 5378 1 7 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.285 -0.525 18154 5379 1 7 . 1 1 145 145 GLY H H 145 8.834 8.834 8.644 0.190 18154 5380 1 7 . 1 1 146 146 THR N N 146 110.831 110.831 113.959 -3.128 18154 5381 1 7 . 1 1 146 146 THR HA H 146 4.319 4.319 4.040 0.279 18154 5382 1 7 . 1 1 146 146 THR C C 146 175.574 175.574 175.627 -0.053 18154 5383 1 7 . 1 1 146 146 THR CA C 146 63.260 63.260 64.097 -0.838 18154 5384 1 7 . 1 1 146 146 THR CB C 146 69.660 69.660 68.572 1.088 18154 5385 1 7 . 1 1 146 146 THR H H 146 7.594 7.594 7.644 -0.050 18154 5386 1 7 . 1 1 147 147 LEU N N 147 120.678 120.678 119.672 1.006 18154 5387 1 7 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.105 -0.047 18154 5388 1 7 . 1 1 147 147 LEU C C 147 177.176 177.176 176.860 0.316 18154 5389 1 7 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.379 -1.065 18154 5390 1 7 . 1 1 147 147 LEU CB C 147 41.228 41.228 40.955 0.273 18154 5391 1 7 . 1 1 147 147 LEU H H 147 7.458 7.458 7.479 -0.021 18154 5392 1 7 . 1 1 148 148 LEU N N 148 117.062 117.062 118.180 -1.118 18154 5393 1 7 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.700 0.018 18154 5394 1 7 . 1 1 148 148 LEU C C 148 175.570 175.570 176.379 -0.809 18154 5395 1 7 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.396 -0.445 18154 5396 1 7 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.246 -1.646 18154 5397 1 7 . 1 1 148 148 LEU H H 148 6.482 6.482 6.880 -0.399 18154 5398 1 8 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.602 -0.373 18154 5399 1 8 . 1 1 2 2 ALA C C 2 173.315 173.315 175.576 -2.261 18154 5400 1 8 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.383 0.197 18154 5401 1 8 . 1 1 2 2 ALA CB C 2 20.223 20.223 20.664 -0.441 18154 5402 1 8 . 1 1 3 3 GLU N N 3 121.874 121.874 119.572 2.302 18154 5403 1 8 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.485 -0.211 18154 5404 1 8 . 1 1 3 3 GLU C C 3 174.545 174.545 175.377 -0.832 18154 5405 1 8 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.459 0.391 18154 5406 1 8 . 1 1 3 3 GLU CB C 3 31.720 31.720 31.873 -0.153 18154 5407 1 8 . 1 1 3 3 GLU H H 3 8.696 8.696 8.430 0.266 18154 5408 1 8 . 1 1 4 4 ILE N N 4 120.672 120.672 125.350 -4.678 18154 5409 1 8 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.822 0.287 18154 5410 1 8 . 1 1 4 4 ILE C C 4 175.463 175.463 174.710 0.753 18154 5411 1 8 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.127 -0.294 18154 5412 1 8 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.866 2.804 18154 5413 1 8 . 1 1 4 4 ILE H H 4 8.860 8.860 9.253 -0.393 18154 5414 1 8 . 1 1 5 5 GLY N N 5 119.310 119.310 114.374 4.936 18154 5415 1 8 . 1 1 5 5 GLY C C 5 171.260 171.260 172.712 -1.452 18154 5416 1 8 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.178 0.642 18154 5417 1 8 . 1 1 5 5 GLY H H 5 8.469 8.469 8.189 0.280 18154 5418 1 8 . 1 1 6 6 ILE N N 6 126.915 126.915 125.844 1.071 18154 5419 1 8 . 1 1 6 6 ILE HA H 6 5.190 5.190 4.813 0.377 18154 5420 1 8 . 1 1 6 6 ILE C C 6 173.901 173.901 174.349 -0.448 18154 5421 1 8 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.685 -0.685 18154 5422 1 8 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.356 -1.356 18154 5423 1 8 . 1 1 6 6 ILE H H 6 9.056 9.056 9.061 -0.005 18154 5424 1 8 . 1 1 7 7 PHE N N 7 127.354 127.354 127.363 -0.009 18154 5425 1 8 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.286 -0.774 18154 5426 1 8 . 1 1 7 7 PHE C C 7 174.230 174.230 174.724 -0.494 18154 5427 1 8 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.493 1.917 18154 5428 1 8 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.894 0.834 18154 5429 1 8 . 1 1 7 7 PHE H H 7 8.960 8.960 9.357 -0.397 18154 5430 1 8 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.037 0.023 18154 5431 1 8 . 1 1 8 8 VAL C C 8 175.450 175.450 175.794 -0.344 18154 5432 1 8 . 1 1 8 8 VAL CA C 8 61.200 61.200 58.941 2.259 18154 5433 1 8 . 1 1 8 8 VAL CB C 8 34.437 34.437 35.425 -0.988 18154 5434 1 8 . 1 1 9 9 GLY N N 9 115.000 115.000 117.816 -2.816 18154 5435 1 8 . 1 1 9 9 GLY C C 9 173.150 173.150 173.983 -0.833 18154 5436 1 8 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.678 0.322 18154 5437 1 8 . 1 1 9 9 GLY H H 9 9.393 9.393 8.897 0.496 18154 5438 1 8 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.501 0.194 18154 5439 1 8 . 1 1 12 12 TYR C C 12 176.560 176.560 176.482 0.078 18154 5440 1 8 . 1 1 12 12 TYR CA C 12 57.750 57.750 58.972 -1.222 18154 5441 1 8 . 1 1 12 12 TYR CB C 12 38.000 38.000 37.577 0.423 18154 5442 1 8 . 1 1 13 13 GLY N N 13 109.870 109.870 112.258 -2.388 18154 5443 1 8 . 1 1 13 13 GLY C C 13 175.930 175.930 172.908 3.022 18154 5444 1 8 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.763 1.237 18154 5445 1 8 . 1 1 13 13 GLY H H 13 8.500 8.500 8.286 0.214 18154 5446 1 8 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.213 0.017 18154 5447 1 8 . 1 1 17 17 LEU C C 17 179.210 179.210 178.257 0.953 18154 5448 1 8 . 1 1 17 17 LEU CA C 17 58.400 58.400 58.098 0.302 18154 5449 1 8 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.598 -0.298 18154 5450 1 8 . 1 1 18 18 VAL N N 18 117.231 117.231 117.094 0.137 18154 5451 1 8 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.659 -0.336 18154 5452 1 8 . 1 1 18 18 VAL C C 18 178.460 178.460 178.154 0.306 18154 5453 1 8 . 1 1 18 18 VAL CA C 18 66.866 66.866 65.614 1.252 18154 5454 1 8 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.622 0.838 18154 5455 1 8 . 1 1 18 18 VAL H H 18 7.645 7.645 8.132 -0.487 18154 5456 1 8 . 1 1 19 19 ALA N N 19 121.820 121.820 121.994 -0.174 18154 5457 1 8 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.943 -0.127 18154 5458 1 8 . 1 1 19 19 ALA C C 19 178.180 178.180 179.464 -1.284 18154 5459 1 8 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.600 -0.024 18154 5460 1 8 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.062 1.938 18154 5461 1 8 . 1 1 19 19 ALA H H 19 8.010 8.010 7.746 0.264 18154 5462 1 8 . 1 1 20 20 GLU N N 20 118.960 118.960 118.331 0.629 18154 5463 1 8 . 1 1 20 20 GLU HA H 20 4.016 4.016 3.972 0.044 18154 5464 1 8 . 1 1 20 20 GLU C C 20 180.950 180.950 179.385 1.565 18154 5465 1 8 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.378 0.288 18154 5466 1 8 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.293 0.007 18154 5467 1 8 . 1 1 20 20 GLU H H 20 8.700 8.700 7.960 0.740 18154 5468 1 8 . 1 1 21 21 GLU N N 21 121.371 121.371 119.536 1.835 18154 5469 1 8 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.096 -0.052 18154 5470 1 8 . 1 1 21 21 GLU C C 21 179.419 179.419 178.770 0.649 18154 5471 1 8 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.134 0.176 18154 5472 1 8 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.314 0.247 18154 5473 1 8 . 1 1 21 21 GLU H H 21 8.632 8.632 7.899 0.733 18154 5474 1 8 . 1 1 22 22 ALA N N 22 121.329 121.329 122.990 -1.661 18154 5475 1 8 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.080 -0.022 18154 5476 1 8 . 1 1 22 22 ALA C C 22 178.823 178.823 179.390 -0.567 18154 5477 1 8 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.650 -0.973 18154 5478 1 8 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.149 -0.506 18154 5479 1 8 . 1 1 22 22 ALA H H 22 8.182 8.182 8.625 -0.443 18154 5480 1 8 . 1 1 23 23 GLU N N 23 119.035 119.035 119.196 -0.161 18154 5481 1 8 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.010 -0.606 18154 5482 1 8 . 1 1 23 23 GLU C C 23 178.375 178.375 178.665 -0.290 18154 5483 1 8 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.652 0.656 18154 5484 1 8 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.628 -0.698 18154 5485 1 8 . 1 1 23 23 GLU H H 23 8.387 8.387 8.408 -0.021 18154 5486 1 8 . 1 1 24 24 ALA N N 24 122.207 122.207 122.188 0.019 18154 5487 1 8 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.101 -0.071 18154 5488 1 8 . 1 1 24 24 ALA C C 24 181.132 181.132 179.887 1.245 18154 5489 1 8 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.089 0.398 18154 5490 1 8 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.621 -0.621 18154 5491 1 8 . 1 1 24 24 ALA H H 24 7.535 7.535 7.805 -0.270 18154 5492 1 8 . 1 1 25 25 ILE N N 25 121.059 121.059 120.142 0.917 18154 5493 1 8 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.701 -0.037 18154 5494 1 8 . 1 1 25 25 ILE C C 25 178.419 178.419 177.905 0.514 18154 5495 1 8 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.043 -0.935 18154 5496 1 8 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.123 0.840 18154 5497 1 8 . 1 1 25 25 ILE H H 25 7.800 7.800 8.570 -0.770 18154 5498 1 8 . 1 1 26 26 LEU N N 26 119.307 119.307 120.324 -1.017 18154 5499 1 8 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.151 0.026 18154 5500 1 8 . 1 1 26 26 LEU C C 26 179.863 179.863 179.736 0.127 18154 5501 1 8 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.367 -0.421 18154 5502 1 8 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.339 -0.199 18154 5503 1 8 . 1 1 26 26 LEU H H 26 8.509 8.509 8.577 -0.068 18154 5504 1 8 . 1 1 27 27 THR N N 27 117.830 117.830 115.900 1.930 18154 5505 1 8 . 1 1 27 27 THR HA H 27 4.524 4.524 4.371 0.153 18154 5506 1 8 . 1 1 27 27 THR C C 27 179.027 179.027 176.225 2.802 18154 5507 1 8 . 1 1 27 27 THR CA C 27 66.000 66.000 66.524 -0.524 18154 5508 1 8 . 1 1 27 27 THR CB C 27 68.600 68.600 68.498 0.102 18154 5509 1 8 . 1 1 27 27 THR H H 27 8.796 8.796 8.550 0.246 18154 5510 1 8 . 1 1 28 28 ALA N N 28 126.313 126.313 122.414 3.899 18154 5511 1 8 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.174 0.031 18154 5512 1 8 . 1 1 28 28 ALA C C 28 179.360 179.360 179.309 0.051 18154 5513 1 8 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.229 0.771 18154 5514 1 8 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.232 -0.582 18154 5515 1 8 . 1 1 28 28 ALA H H 28 7.832 7.832 7.768 0.064 18154 5516 1 8 . 1 1 29 29 GLN N N 29 115.527 115.527 116.628 -1.101 18154 5517 1 8 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.131 -0.004 18154 5518 1 8 . 1 1 29 29 GLN C C 29 176.547 176.547 177.014 -0.467 18154 5519 1 8 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.013 -0.450 18154 5520 1 8 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.689 -0.279 18154 5521 1 8 . 1 1 29 29 GLN H H 29 7.353 7.353 8.135 -0.782 18154 5522 1 8 . 1 1 30 30 GLY N N 30 105.961 105.961 104.025 1.936 18154 5523 1 8 . 1 1 30 30 GLY C C 30 174.785 174.785 174.009 0.776 18154 5524 1 8 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.608 -0.109 18154 5525 1 8 . 1 1 30 30 GLY H H 30 7.923 7.923 7.597 0.326 18154 5526 1 8 . 1 1 31 31 HIS N N 31 119.471 119.471 118.956 0.515 18154 5527 1 8 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.732 0.103 18154 5528 1 8 . 1 1 31 31 HIS C C 31 174.665 174.665 173.953 0.712 18154 5529 1 8 . 1 1 31 31 HIS CA C 31 55.842 55.842 55.271 0.571 18154 5530 1 8 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.908 0.092 18154 5531 1 8 . 1 1 31 31 HIS H H 31 7.558 7.558 8.086 -0.528 18154 5532 1 8 . 1 1 32 32 LYS N N 32 121.854 121.854 121.122 0.732 18154 5533 1 8 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.562 0.161 18154 5534 1 8 . 1 1 32 32 LYS C C 32 174.466 174.466 174.387 0.079 18154 5535 1 8 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.614 0.251 18154 5536 1 8 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.571 0.389 18154 5537 1 8 . 1 1 32 32 LYS H H 32 8.665 8.665 8.757 -0.092 18154 5538 1 8 . 1 1 33 33 ALA N N 33 130.188 130.188 129.499 0.689 18154 5539 1 8 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.677 0.141 18154 5540 1 8 . 1 1 33 33 ALA C C 33 175.567 175.567 176.422 -0.855 18154 5541 1 8 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.600 -0.624 18154 5542 1 8 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.654 0.643 18154 5543 1 8 . 1 1 33 33 ALA H H 33 8.837 8.837 7.960 0.877 18154 5544 1 8 . 1 1 34 34 THR N N 34 117.164 117.164 117.223 -0.059 18154 5545 1 8 . 1 1 34 34 THR HA H 34 4.359 4.359 4.742 -0.383 18154 5546 1 8 . 1 1 34 34 THR C C 34 171.315 171.315 173.161 -1.846 18154 5547 1 8 . 1 1 34 34 THR CA C 34 61.840 61.840 61.011 0.829 18154 5548 1 8 . 1 1 34 34 THR CB C 34 71.800 71.800 72.284 -0.484 18154 5549 1 8 . 1 1 34 34 THR H H 34 7.826 7.826 8.645 -0.819 18154 5550 1 8 . 1 1 35 35 VAL N N 35 126.650 126.650 123.733 2.917 18154 5551 1 8 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.345 -0.162 18154 5552 1 8 . 1 1 35 35 VAL C C 35 174.675 174.675 175.197 -0.522 18154 5553 1 8 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.789 0.139 18154 5554 1 8 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.475 0.175 18154 5555 1 8 . 1 1 35 35 VAL H H 35 8.496 8.496 8.501 -0.005 18154 5556 1 8 . 1 1 36 36 PHE N N 36 127.630 127.630 127.037 0.593 18154 5557 1 8 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.686 -0.135 18154 5558 1 8 . 1 1 36 36 PHE C C 36 174.347 174.347 174.470 -0.123 18154 5559 1 8 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.458 1.024 18154 5560 1 8 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.332 -0.167 18154 5561 1 8 . 1 1 36 36 PHE H H 36 9.164 9.164 9.169 -0.005 18154 5562 1 8 . 1 1 37 37 GLU N N 37 123.516 123.516 123.365 0.151 18154 5563 1 8 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.328 0.142 18154 5564 1 8 . 1 1 37 37 GLU C C 37 175.954 175.954 176.047 -0.093 18154 5565 1 8 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.362 -0.643 18154 5566 1 8 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.654 0.806 18154 5567 1 8 . 1 1 37 37 GLU H H 37 8.455 8.455 8.646 -0.191 18154 5568 1 8 . 1 1 38 38 ASP N N 38 120.395 120.395 121.383 -0.988 18154 5569 1 8 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.316 0.517 18154 5570 1 8 . 1 1 38 38 ASP C C 38 173.920 173.920 174.292 -0.372 18154 5571 1 8 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.210 0.267 18154 5572 1 8 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.418 0.186 18154 5573 1 8 . 1 1 38 38 ASP H H 38 9.602 9.602 8.208 1.394 18154 5574 1 8 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.506 0.174 18154 5575 1 8 . 1 1 39 39 PRO C C 39 176.274 176.274 176.360 -0.086 18154 5576 1 8 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.734 -0.750 18154 5577 1 8 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.754 1.647 18154 5578 1 8 . 1 1 40 40 GLU N N 40 119.026 119.026 123.012 -3.986 18154 5579 1 8 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.527 0.201 18154 5580 1 8 . 1 1 40 40 GLU C C 40 177.827 177.827 177.382 0.445 18154 5581 1 8 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.876 -0.906 18154 5582 1 8 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.239 2.161 18154 5583 1 8 . 1 1 40 40 GLU H H 40 9.178 9.178 8.631 0.547 18154 5584 1 8 . 1 1 41 41 LEU N N 41 123.708 123.708 124.867 -1.159 18154 5585 1 8 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.154 -0.260 18154 5586 1 8 . 1 1 41 41 LEU C C 41 178.730 178.730 178.186 0.544 18154 5587 1 8 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.808 0.599 18154 5588 1 8 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.814 -0.161 18154 5589 1 8 . 1 1 41 41 LEU H H 41 9.160 9.160 8.820 0.340 18154 5590 1 8 . 1 1 42 42 SER N N 42 110.500 110.500 114.335 -3.835 18154 5591 1 8 . 1 1 42 42 SER HA H 42 4.010 4.010 4.289 -0.279 18154 5592 1 8 . 1 1 42 42 SER C C 42 176.300 176.300 175.025 1.275 18154 5593 1 8 . 1 1 42 42 SER CA C 42 61.600 61.600 60.745 0.855 18154 5594 1 8 . 1 1 42 42 SER CB C 42 62.140 62.140 62.802 -0.662 18154 5595 1 8 . 1 1 42 42 SER H H 42 8.415 8.415 8.568 -0.153 18154 5596 1 8 . 1 1 43 43 ASP N N 43 119.770 119.770 120.488 -0.718 18154 5597 1 8 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.752 -0.295 18154 5598 1 8 . 1 1 43 43 ASP C C 43 176.150 176.150 176.092 0.058 18154 5599 1 8 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.170 1.580 18154 5600 1 8 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.224 1.476 18154 5601 1 8 . 1 1 43 43 ASP H H 43 7.690 7.690 7.898 -0.208 18154 5602 1 8 . 1 1 44 44 TRP N N 44 118.500 118.500 121.105 -2.605 18154 5603 1 8 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.281 -0.071 18154 5604 1 8 . 1 1 44 44 TRP C C 44 177.150 177.150 177.596 -0.446 18154 5605 1 8 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.359 1.028 18154 5606 1 8 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.072 0.238 18154 5607 1 8 . 1 1 44 44 TRP H H 44 7.464 7.464 7.231 0.233 18154 5608 1 8 . 1 1 45 45 LEU N N 45 114.100 114.100 121.346 -7.246 18154 5609 1 8 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.099 0.076 18154 5610 1 8 . 1 1 45 45 LEU C C 45 176.300 176.300 175.777 0.523 18154 5611 1 8 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.265 -0.705 18154 5612 1 8 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.495 -0.275 18154 5613 1 8 . 1 1 45 45 LEU H H 45 7.550 7.550 8.587 -1.037 18154 5614 1 8 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.255 0.125 18154 5615 1 8 . 1 1 46 46 PRO C C 46 176.799 176.799 177.278 -0.479 18154 5616 1 8 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.730 0.557 18154 5617 1 8 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.030 0.570 18154 5618 1 8 . 1 1 47 47 TYR N N 47 113.790 113.790 116.300 -2.510 18154 5619 1 8 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.641 -0.521 18154 5620 1 8 . 1 1 47 47 TYR C C 47 175.730 175.730 177.722 -1.992 18154 5621 1 8 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.745 1.455 18154 5622 1 8 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.479 0.537 18154 5623 1 8 . 1 1 47 47 TYR H H 47 8.291 8.291 8.413 -0.122 18154 5624 1 8 . 1 1 48 48 GLN N N 48 116.524 116.524 120.307 -3.783 18154 5625 1 8 . 1 1 48 48 GLN HA H 48 3.885 3.885 4.030 -0.145 18154 5626 1 8 . 1 1 48 48 GLN C C 48 174.381 174.381 176.526 -2.145 18154 5627 1 8 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.588 0.238 18154 5628 1 8 . 1 1 48 48 GLN CB C 48 31.000 31.000 29.132 1.868 18154 5629 1 8 . 1 1 48 48 GLN H H 48 7.300 7.300 7.504 -0.204 18154 5630 1 8 . 1 1 49 49 ASP N N 49 114.657 114.657 113.042 1.615 18154 5631 1 8 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.668 0.019 18154 5632 1 8 . 1 1 49 49 ASP C C 49 176.307 176.307 175.866 0.441 18154 5633 1 8 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.882 -2.147 18154 5634 1 8 . 1 1 49 49 ASP CB C 49 40.200 40.200 40.548 -0.348 18154 5635 1 8 . 1 1 49 49 ASP H H 49 7.854 7.854 8.530 -0.676 18154 5636 1 8 . 1 1 50 50 LYS N N 50 123.514 123.514 119.542 3.972 18154 5637 1 8 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.188 0.402 18154 5638 1 8 . 1 1 50 50 LYS C C 50 172.964 172.964 175.285 -2.321 18154 5639 1 8 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.230 -0.537 18154 5640 1 8 . 1 1 50 50 LYS CB C 50 33.355 33.355 34.851 -1.496 18154 5641 1 8 . 1 1 50 50 LYS H H 50 7.833 7.833 7.350 0.483 18154 5642 1 8 . 1 1 51 51 TYR N N 51 118.375 118.375 115.864 2.511 18154 5643 1 8 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.755 0.300 18154 5644 1 8 . 1 1 51 51 TYR C C 51 175.875 175.875 176.131 -0.256 18154 5645 1 8 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.239 1.182 18154 5646 1 8 . 1 1 51 51 TYR CB C 51 42.477 42.477 40.805 1.672 18154 5647 1 8 . 1 1 51 51 TYR H H 51 7.745 7.745 8.319 -0.574 18154 5648 1 8 . 1 1 52 52 VAL N N 52 112.527 112.527 114.957 -2.430 18154 5649 1 8 . 1 1 52 52 VAL HA H 52 5.500 5.500 5.080 0.420 18154 5650 1 8 . 1 1 52 52 VAL C C 52 173.910 173.910 174.396 -0.486 18154 5651 1 8 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.204 -1.508 18154 5652 1 8 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.405 1.087 18154 5653 1 8 . 1 1 52 52 VAL H H 52 8.673 8.673 8.597 0.076 18154 5654 1 8 . 1 1 53 53 LEU N N 53 124.294 124.294 123.348 0.946 18154 5655 1 8 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.190 -0.290 18154 5656 1 8 . 1 1 53 53 LEU C C 53 175.070 175.070 174.474 0.596 18154 5657 1 8 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.452 -0.886 18154 5658 1 8 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.608 -1.378 18154 5659 1 8 . 1 1 53 53 LEU H H 53 9.137 9.137 9.111 0.026 18154 5660 1 8 . 1 1 54 54 VAL N N 54 127.850 127.850 125.653 2.197 18154 5661 1 8 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.964 -0.454 18154 5662 1 8 . 1 1 54 54 VAL C C 54 174.030 174.030 174.692 -0.662 18154 5663 1 8 . 1 1 54 54 VAL CA C 54 61.825 61.825 60.936 0.889 18154 5664 1 8 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.490 -0.799 18154 5665 1 8 . 1 1 54 54 VAL H H 54 8.619 8.619 8.749 -0.130 18154 5666 1 8 . 1 1 55 55 VAL N N 55 127.181 127.181 127.704 -0.523 18154 5667 1 8 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.934 0.151 18154 5668 1 8 . 1 1 55 55 VAL C C 55 174.942 174.942 174.841 0.101 18154 5669 1 8 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.906 -0.837 18154 5670 1 8 . 1 1 55 55 VAL CB C 55 33.222 33.222 34.618 -1.396 18154 5671 1 8 . 1 1 55 55 VAL H H 55 8.578 8.578 8.721 -0.143 18154 5672 1 8 . 1 1 56 56 THR N N 56 117.420 117.420 118.580 -1.160 18154 5673 1 8 . 1 1 56 56 THR HA H 56 5.590 5.590 4.717 0.873 18154 5674 1 8 . 1 1 56 56 THR C C 56 172.640 172.640 173.839 -1.199 18154 5675 1 8 . 1 1 56 56 THR CA C 56 59.359 59.359 61.170 -1.812 18154 5676 1 8 . 1 1 56 56 THR CB C 56 70.715 70.715 69.614 1.101 18154 5677 1 8 . 1 1 56 56 THR H H 56 8.710 8.710 8.917 -0.207 18154 5678 1 8 . 1 1 57 57 SER HA H 57 5.250 5.250 4.453 0.797 18154 5679 1 8 . 1 1 57 57 SER CA C 57 57.730 57.730 59.306 -1.576 18154 5680 1 8 . 1 1 57 57 SER CB C 57 64.500 64.500 63.798 0.702 18154 5681 1 8 . 1 1 57 57 SER H H 57 8.075 8.075 8.780 -0.705 18154 5682 1 8 . 1 1 58 58 THR H H 58 7.900 7.900 7.778 0.122 18154 5683 1 8 . 1 1 59 59 THR HA H 59 4.900 4.900 4.100 0.800 18154 5684 1 8 . 1 1 59 59 THR CA C 59 61.200 61.200 62.445 -1.245 18154 5685 1 8 . 1 1 59 59 THR CB C 59 73.400 73.400 67.839 5.561 18154 5686 1 8 . 1 1 59 59 THR H H 59 9.230 9.230 8.294 0.936 18154 5687 1 8 . 1 1 60 60 GLY CA C 60 46.500 46.500 46.024 0.476 18154 5688 1 8 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.554 -0.148 18154 5689 1 8 . 1 1 61 61 GLN C C 61 175.950 175.950 175.887 0.063 18154 5690 1 8 . 1 1 61 61 GLN CA C 61 55.350 55.350 54.896 0.454 18154 5691 1 8 . 1 1 61 61 GLN CB C 61 29.160 29.160 29.610 -0.450 18154 5692 1 8 . 1 1 62 62 GLY N N 62 108.420 108.420 108.283 0.137 18154 5693 1 8 . 1 1 62 62 GLY C C 62 173.134 173.134 174.148 -1.014 18154 5694 1 8 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.873 0.911 18154 5695 1 8 . 1 1 62 62 GLY H H 62 8.073 8.073 8.305 -0.232 18154 5696 1 8 . 1 1 63 63 ASP N N 63 118.400 118.400 119.269 -0.869 18154 5697 1 8 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.473 0.307 18154 5698 1 8 . 1 1 63 63 ASP CA C 63 53.296 53.296 54.147 -0.851 18154 5699 1 8 . 1 1 63 63 ASP CB C 63 42.740 42.740 41.281 1.459 18154 5700 1 8 . 1 1 63 63 ASP H H 63 7.248 7.248 8.100 -0.852 18154 5701 1 8 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.403 -0.003 18154 5702 1 8 . 1 1 64 64 LEU CA C 64 53.150 53.150 52.136 1.014 18154 5703 1 8 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.369 -0.682 18154 5704 1 8 . 1 1 64 64 LEU H H 64 8.445 8.445 8.198 0.247 18154 5705 1 8 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.393 -0.099 18154 5706 1 8 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.664 -0.320 18154 5707 1 8 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.591 -0.111 18154 5708 1 8 . 1 1 66 66 ASP N N 66 121.200 121.200 121.240 -0.040 18154 5709 1 8 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.346 -0.086 18154 5710 1 8 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.621 1.009 18154 5711 1 8 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.532 0.268 18154 5712 1 8 . 1 1 66 66 ASP H H 66 8.605 8.605 8.695 -0.090 18154 5713 1 8 . 1 1 67 67 SER HA H 67 4.292 4.292 4.288 0.004 18154 5714 1 8 . 1 1 67 67 SER C C 67 175.650 175.650 175.317 0.333 18154 5715 1 8 . 1 1 67 67 SER CA C 67 60.500 60.500 61.213 -0.713 18154 5716 1 8 . 1 1 67 67 SER CB C 67 63.530 63.530 63.907 -0.377 18154 5717 1 8 . 1 1 68 68 ILE N N 68 120.550 120.550 122.007 -1.457 18154 5718 1 8 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.203 0.907 18154 5719 1 8 . 1 1 68 68 ILE C C 68 174.713 174.713 176.934 -2.221 18154 5720 1 8 . 1 1 68 68 ILE CA C 68 60.400 60.400 61.909 -1.509 18154 5721 1 8 . 1 1 68 68 ILE CB C 68 43.240 43.240 38.370 4.870 18154 5722 1 8 . 1 1 68 68 ILE H H 68 7.870 7.870 7.914 -0.044 18154 5723 1 8 . 1 1 69 69 VAL N N 69 125.740 125.740 122.626 3.114 18154 5724 1 8 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.690 0.055 18154 5725 1 8 . 1 1 69 69 VAL C C 69 174.500 174.500 174.778 -0.278 18154 5726 1 8 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.639 -1.089 18154 5727 1 8 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.311 0.819 18154 5728 1 8 . 1 1 69 69 VAL H H 69 7.428 7.428 8.061 -0.633 18154 5729 1 8 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.342 -0.050 18154 5730 1 8 . 1 1 70 70 PRO C C 70 180.820 180.820 178.542 2.278 18154 5731 1 8 . 1 1 70 70 PRO CA C 70 66.470 66.470 65.950 0.520 18154 5732 1 8 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.195 -0.538 18154 5733 1 8 . 1 1 71 71 LEU N N 71 119.467 119.467 120.405 -0.938 18154 5734 1 8 . 1 1 71 71 LEU HA H 71 3.845 3.845 3.980 -0.135 18154 5735 1 8 . 1 1 71 71 LEU C C 71 176.489 176.489 178.411 -1.922 18154 5736 1 8 . 1 1 71 71 LEU CA C 71 58.207 58.207 58.058 0.149 18154 5737 1 8 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.788 -0.302 18154 5738 1 8 . 1 1 71 71 LEU H H 71 7.918 7.918 7.536 0.382 18154 5739 1 8 . 1 1 72 72 PHE N N 72 119.361 119.361 119.610 -0.249 18154 5740 1 8 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.317 -0.172 18154 5741 1 8 . 1 1 72 72 PHE C C 72 175.968 175.968 177.078 -1.110 18154 5742 1 8 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.814 0.007 18154 5743 1 8 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.688 0.859 18154 5744 1 8 . 1 1 72 72 PHE H H 72 7.903 7.903 8.775 -0.872 18154 5745 1 8 . 1 1 73 73 GLN N N 73 116.100 116.100 116.996 -0.896 18154 5746 1 8 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.848 -0.321 18154 5747 1 8 . 1 1 73 73 GLN C C 73 177.871 177.871 178.689 -0.818 18154 5748 1 8 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.820 -0.680 18154 5749 1 8 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.125 0.021 18154 5750 1 8 . 1 1 73 73 GLN H H 73 9.042 9.042 8.440 0.602 18154 5751 1 8 . 1 1 74 74 GLY N N 74 107.110 107.110 108.180 -1.070 18154 5752 1 8 . 1 1 74 74 GLY C C 74 175.894 175.894 176.537 -0.643 18154 5753 1 8 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.871 0.409 18154 5754 1 8 . 1 1 74 74 GLY H H 74 8.045 8.045 8.305 -0.260 18154 5755 1 8 . 1 1 75 75 ILE N N 75 123.629 123.629 122.893 0.736 18154 5756 1 8 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.365 -0.315 18154 5757 1 8 . 1 1 75 75 ILE C C 75 178.622 178.622 177.078 1.544 18154 5758 1 8 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.887 0.370 18154 5759 1 8 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.429 0.539 18154 5760 1 8 . 1 1 75 75 ILE H H 75 8.174 8.174 8.060 0.114 18154 5761 1 8 . 1 1 76 76 LYS N N 76 119.363 119.363 118.727 0.636 18154 5762 1 8 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.761 -0.456 18154 5763 1 8 . 1 1 76 76 LYS C C 76 177.909 177.909 178.225 -0.316 18154 5764 1 8 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.322 0.383 18154 5765 1 8 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.915 0.435 18154 5766 1 8 . 1 1 76 76 LYS H H 76 7.600 7.600 7.639 -0.040 18154 5767 1 8 . 1 1 77 77 ASP N N 77 115.190 115.190 118.053 -2.863 18154 5768 1 8 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.566 -0.084 18154 5769 1 8 . 1 1 77 77 ASP C C 77 178.825 178.825 178.152 0.673 18154 5770 1 8 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.053 0.227 18154 5771 1 8 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.814 -0.624 18154 5772 1 8 . 1 1 77 77 ASP H H 77 8.482 8.482 8.297 0.185 18154 5773 1 8 . 1 1 78 78 SER N N 78 112.576 112.576 116.174 -3.598 18154 5774 1 8 . 1 1 78 78 SER HA H 78 4.728 4.728 4.339 0.389 18154 5775 1 8 . 1 1 78 78 SER C C 78 174.556 174.556 175.066 -0.510 18154 5776 1 8 . 1 1 78 78 SER CA C 78 60.045 60.045 60.170 -0.125 18154 5777 1 8 . 1 1 78 78 SER CB C 78 64.643 64.643 63.790 0.853 18154 5778 1 8 . 1 1 78 78 SER H H 78 8.273 8.273 7.934 0.339 18154 5779 1 8 . 1 1 79 79 LEU N N 79 120.833 120.833 121.079 -0.246 18154 5780 1 8 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.398 0.417 18154 5781 1 8 . 1 1 79 79 LEU C C 79 176.251 176.251 178.755 -2.504 18154 5782 1 8 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.242 -2.282 18154 5783 1 8 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.363 -3.167 18154 5784 1 8 . 1 1 79 79 LEU H H 79 7.025 7.025 7.426 -0.401 18154 5785 1 8 . 1 1 80 80 GLY N N 80 108.861 108.861 107.117 1.744 18154 5786 1 8 . 1 1 80 80 GLY C C 80 173.623 173.623 173.725 -0.102 18154 5787 1 8 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.399 -0.170 18154 5788 1 8 . 1 1 80 80 GLY H H 80 7.499 7.499 8.274 -0.775 18154 5789 1 8 . 1 1 81 81 PHE N N 81 121.441 121.441 119.355 2.086 18154 5790 1 8 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.653 0.407 18154 5791 1 8 . 1 1 81 81 PHE C C 81 174.411 174.411 172.407 2.004 18154 5792 1 8 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.477 -0.266 18154 5793 1 8 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.771 -1.151 18154 5794 1 8 . 1 1 81 81 PHE H H 81 8.018 8.018 7.376 0.642 18154 5795 1 8 . 1 1 82 82 GLN N N 82 126.480 126.480 121.585 4.895 18154 5796 1 8 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.718 0.172 18154 5797 1 8 . 1 1 82 82 GLN C C 82 172.700 172.700 173.675 -0.975 18154 5798 1 8 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.563 1.614 18154 5799 1 8 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.598 2.002 18154 5800 1 8 . 1 1 82 82 GLN H H 82 9.588 9.588 7.664 1.924 18154 5801 1 8 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.315 0.058 18154 5802 1 8 . 1 1 83 83 PRO C C 83 178.163 178.163 176.696 1.467 18154 5803 1 8 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.463 -0.772 18154 5804 1 8 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.631 -0.766 18154 5805 1 8 . 1 1 84 84 ASN N N 84 116.900 116.900 114.996 1.904 18154 5806 1 8 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.872 -0.103 18154 5807 1 8 . 1 1 84 84 ASN C C 84 173.332 173.332 173.532 -0.200 18154 5808 1 8 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.686 -0.126 18154 5809 1 8 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.610 -1.350 18154 5810 1 8 . 1 1 84 84 ASN H H 84 8.578 8.578 7.785 0.793 18154 5811 1 8 . 1 1 85 85 LEU N N 85 124.380 124.380 121.691 2.689 18154 5812 1 8 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.654 -0.608 18154 5813 1 8 . 1 1 85 85 LEU C C 85 175.880 175.880 176.160 -0.280 18154 5814 1 8 . 1 1 85 85 LEU CA C 85 55.842 55.842 55.380 0.462 18154 5815 1 8 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.169 -0.869 18154 5816 1 8 . 1 1 85 85 LEU H H 85 7.240 7.240 7.802 -0.562 18154 5817 1 8 . 1 1 86 86 ARG N N 86 128.715 128.715 122.747 5.968 18154 5818 1 8 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.623 0.171 18154 5819 1 8 . 1 1 86 86 ARG C C 86 175.554 175.554 175.314 0.240 18154 5820 1 8 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.520 0.923 18154 5821 1 8 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.352 -0.479 18154 5822 1 8 . 1 1 86 86 ARG H H 86 7.732 7.732 8.244 -0.512 18154 5823 1 8 . 1 1 87 87 TYR N N 87 117.420 117.420 117.411 0.009 18154 5824 1 8 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.787 0.978 18154 5825 1 8 . 1 1 87 87 TYR C C 87 172.931 172.931 173.541 -0.610 18154 5826 1 8 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.020 -0.759 18154 5827 1 8 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.746 3.192 18154 5828 1 8 . 1 1 87 87 TYR H H 87 8.783 8.783 8.121 0.662 18154 5829 1 8 . 1 1 88 88 GLY N N 88 107.765 107.765 106.255 1.510 18154 5830 1 8 . 1 1 88 88 GLY C C 88 172.621 172.621 171.860 0.761 18154 5831 1 8 . 1 1 88 88 GLY CA C 88 43.861 43.861 43.366 0.495 18154 5832 1 8 . 1 1 88 88 GLY H H 88 8.905 8.905 8.455 0.450 18154 5833 1 8 . 1 1 89 89 VAL N N 89 118.180 118.180 118.578 -0.398 18154 5834 1 8 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.821 0.180 18154 5835 1 8 . 1 1 89 89 VAL C C 89 172.939 172.939 174.140 -1.201 18154 5836 1 8 . 1 1 89 89 VAL CA C 89 60.999 60.999 61.636 -0.637 18154 5837 1 8 . 1 1 89 89 VAL CB C 89 36.398 36.398 36.507 -0.109 18154 5838 1 8 . 1 1 89 89 VAL H H 89 7.499 7.499 8.334 -0.835 18154 5839 1 8 . 1 1 90 90 ILE N N 90 125.000 125.000 125.648 -0.648 18154 5840 1 8 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.076 0.051 18154 5841 1 8 . 1 1 90 90 ILE C C 90 173.099 173.099 173.803 -0.704 18154 5842 1 8 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.914 0.574 18154 5843 1 8 . 1 1 90 90 ILE CB C 90 40.398 40.398 39.908 0.490 18154 5844 1 8 . 1 1 90 90 ILE H H 90 8.810 8.810 8.815 -0.005 18154 5845 1 8 . 1 1 91 91 ALA N N 91 129.036 129.036 129.713 -0.677 18154 5846 1 8 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.295 0.031 18154 5847 1 8 . 1 1 91 91 ALA C C 91 174.000 174.000 175.818 -1.818 18154 5848 1 8 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.686 -0.686 18154 5849 1 8 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.034 1.066 18154 5850 1 8 . 1 1 91 91 ALA H H 91 9.253 9.253 8.856 0.397 18154 5851 1 8 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.008 -0.077 18154 5852 1 8 . 1 1 92 92 LEU C C 92 177.366 177.366 176.221 1.145 18154 5853 1 8 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.291 0.626 18154 5854 1 8 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.164 -2.764 18154 5855 1 8 . 1 1 93 93 GLY N N 93 110.663 110.663 107.848 2.815 18154 5856 1 8 . 1 1 93 93 GLY C C 93 172.029 172.029 171.971 0.058 18154 5857 1 8 . 1 1 93 93 GLY CA C 93 45.730 45.730 46.200 -0.470 18154 5858 1 8 . 1 1 93 93 GLY H H 93 8.687 8.687 8.908 -0.221 18154 5859 1 8 . 1 1 94 94 ASP N N 94 119.304 119.304 120.266 -0.962 18154 5860 1 8 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.630 -0.370 18154 5861 1 8 . 1 1 94 94 ASP C C 94 176.978 176.978 177.197 -0.219 18154 5862 1 8 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.147 1.460 18154 5863 1 8 . 1 1 94 94 ASP CB C 94 43.000 43.000 42.872 0.128 18154 5864 1 8 . 1 1 94 94 ASP H H 94 8.129 8.129 8.443 -0.314 18154 5865 1 8 . 1 1 95 95 SER N N 95 123.897 123.897 118.117 5.780 18154 5866 1 8 . 1 1 95 95 SER HA H 95 3.895 3.895 4.247 -0.352 18154 5867 1 8 . 1 1 95 95 SER C C 95 175.243 175.243 174.948 0.295 18154 5868 1 8 . 1 1 95 95 SER CA C 95 60.183 60.183 60.199 -0.016 18154 5869 1 8 . 1 1 95 95 SER CB C 95 61.700 61.700 63.012 -1.312 18154 5870 1 8 . 1 1 95 95 SER H H 95 8.878 8.878 9.404 -0.526 18154 5871 1 8 . 1 1 96 96 SER N N 96 119.248 119.248 115.454 3.794 18154 5872 1 8 . 1 1 96 96 SER HA H 96 4.209 4.209 4.282 -0.073 18154 5873 1 8 . 1 1 96 96 SER C C 96 173.900 173.900 174.469 -0.569 18154 5874 1 8 . 1 1 96 96 SER CA C 96 60.197 60.197 60.088 0.109 18154 5875 1 8 . 1 1 96 96 SER CB C 96 63.000 63.000 63.502 -0.502 18154 5876 1 8 . 1 1 96 96 SER H H 96 9.124 9.124 8.312 0.812 18154 5877 1 8 . 1 1 97 97 TYR N N 97 120.889 120.889 119.817 1.072 18154 5878 1 8 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.613 0.275 18154 5879 1 8 . 1 1 97 97 TYR C C 97 175.972 175.972 177.088 -1.116 18154 5880 1 8 . 1 1 97 97 TYR CA C 97 55.750 55.750 57.406 -1.656 18154 5881 1 8 . 1 1 97 97 TYR CB C 97 39.820 39.820 40.452 -0.631 18154 5882 1 8 . 1 1 97 97 TYR H H 97 7.664 7.664 7.739 -0.075 18154 5883 1 8 . 1 1 98 98 VAL N N 98 116.952 116.952 122.946 -5.994 18154 5884 1 8 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.731 0.329 18154 5885 1 8 . 1 1 98 98 VAL C C 98 175.969 175.969 176.638 -0.669 18154 5886 1 8 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.271 -2.431 18154 5887 1 8 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.594 1.006 18154 5888 1 8 . 1 1 98 98 VAL H H 98 7.970 7.970 8.716 -0.746 18154 5889 1 8 . 1 1 99 99 ASN N N 99 118.156 118.156 117.337 0.819 18154 5890 1 8 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.604 -0.093 18154 5891 1 8 . 1 1 99 99 ASN C C 99 174.329 174.329 176.663 -2.334 18154 5892 1 8 . 1 1 99 99 ASN CA C 99 53.031 53.031 53.705 -0.674 18154 5893 1 8 . 1 1 99 99 ASN CB C 99 37.238 37.238 39.312 -2.074 18154 5894 1 8 . 1 1 99 99 ASN H H 99 8.296 8.296 7.952 0.344 18154 5895 1 8 . 1 1 100 100 PHE N N 100 118.649 118.649 119.779 -1.130 18154 5896 1 8 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.127 0.288 18154 5897 1 8 . 1 1 100 100 PHE C C 100 174.400 174.400 174.845 -0.445 18154 5898 1 8 . 1 1 100 100 PHE CA C 100 58.190 58.190 60.953 -2.764 18154 5899 1 8 . 1 1 100 100 PHE CB C 100 39.679 39.679 37.766 1.913 18154 5900 1 8 . 1 1 100 100 PHE H H 100 7.855 7.855 8.099 -0.244 18154 5901 1 8 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.230 -0.645 18154 5902 1 8 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.767 4.973 18154 5903 1 8 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.328 -1.328 18154 5904 1 8 . 1 1 101 101 CYS H H 101 9.240 9.240 7.941 1.299 18154 5905 1 8 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.375 -0.155 18154 5906 1 8 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.864 0.336 18154 5907 1 8 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.472 0.127 18154 5908 1 8 . 1 1 102 102 ASN H H 102 8.300 8.300 8.500 -0.200 18154 5909 1 8 . 1 1 103 103 GLY C C 103 175.690 175.690 175.984 -0.294 18154 5910 1 8 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.310 0.040 18154 5911 1 8 . 1 1 104 104 GLY N N 104 106.150 106.150 109.684 -3.534 18154 5912 1 8 . 1 1 104 104 GLY C C 104 174.570 174.570 176.196 -1.626 18154 5913 1 8 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.254 1.096 18154 5914 1 8 . 1 1 104 104 GLY H H 104 7.108 7.108 7.657 -0.549 18154 5915 1 8 . 1 1 105 105 LYS N N 105 120.732 120.732 122.557 -1.825 18154 5916 1 8 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.946 -0.009 18154 5917 1 8 . 1 1 105 105 LYS C C 105 179.706 179.706 179.223 0.483 18154 5918 1 8 . 1 1 105 105 LYS CA C 105 60.308 60.308 60.076 0.232 18154 5919 1 8 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.238 -0.441 18154 5920 1 8 . 1 1 105 105 LYS H H 105 7.708 7.708 7.620 0.088 18154 5921 1 8 . 1 1 106 106 GLN N N 106 119.087 119.087 117.663 1.424 18154 5922 1 8 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.176 -0.034 18154 5923 1 8 . 1 1 106 106 GLN C C 106 179.418 179.418 178.479 0.939 18154 5924 1 8 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.247 0.628 18154 5925 1 8 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.093 0.666 18154 5926 1 8 . 1 1 106 106 GLN H H 106 8.738 8.738 8.597 0.141 18154 5927 1 8 . 1 1 107 107 PHE N N 107 123.088 123.088 120.744 2.344 18154 5928 1 8 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.364 -0.114 18154 5929 1 8 . 1 1 107 107 PHE C C 107 178.403 178.403 177.643 0.760 18154 5930 1 8 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.895 0.290 18154 5931 1 8 . 1 1 107 107 PHE CB C 107 39.451 39.451 39.045 0.406 18154 5932 1 8 . 1 1 107 107 PHE H H 107 7.922 7.922 7.958 -0.036 18154 5933 1 8 . 1 1 108 108 ASP N N 108 117.118 117.118 120.496 -3.378 18154 5934 1 8 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.472 -0.098 18154 5935 1 8 . 1 1 108 108 ASP C C 108 176.973 176.973 178.302 -1.329 18154 5936 1 8 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.776 0.653 18154 5937 1 8 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.055 3.068 18154 5938 1 8 . 1 1 108 108 ASP H H 108 8.305 8.305 8.333 -0.028 18154 5939 1 8 . 1 1 109 109 ALA N N 109 118.590 118.590 122.063 -3.473 18154 5940 1 8 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.057 -0.007 18154 5941 1 8 . 1 1 109 109 ALA C C 109 180.430 180.430 179.325 1.105 18154 5942 1 8 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.040 0.156 18154 5943 1 8 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.619 -0.512 18154 5944 1 8 . 1 1 109 109 ALA H H 109 8.332 8.332 8.129 0.203 18154 5945 1 8 . 1 1 110 110 LEU N N 110 120.402 120.402 119.868 0.534 18154 5946 1 8 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.966 0.118 18154 5947 1 8 . 1 1 110 110 LEU C C 110 177.801 177.801 178.709 -0.908 18154 5948 1 8 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.711 -0.070 18154 5949 1 8 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.653 1.103 18154 5950 1 8 . 1 1 110 110 LEU H H 110 7.868 7.868 8.061 -0.193 18154 5951 1 8 . 1 1 111 111 LEU N N 111 116.945 116.945 116.299 0.646 18154 5952 1 8 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.749 -0.031 18154 5953 1 8 . 1 1 111 111 LEU C C 111 179.838 179.838 179.180 0.658 18154 5954 1 8 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.259 0.706 18154 5955 1 8 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.012 -2.152 18154 5956 1 8 . 1 1 111 111 LEU H H 111 7.704 7.704 7.234 0.470 18154 5957 1 8 . 1 1 112 112 GLN N N 112 118.484 118.484 116.954 1.530 18154 5958 1 8 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.127 0.014 18154 5959 1 8 . 1 1 112 112 GLN C C 112 181.218 181.218 178.198 3.020 18154 5960 1 8 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.727 1.238 18154 5961 1 8 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.250 1.010 18154 5962 1 8 . 1 1 112 112 GLN H H 112 8.441 8.441 8.048 0.393 18154 5963 1 8 . 1 1 113 113 GLU N N 113 122.905 122.905 117.185 5.720 18154 5964 1 8 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.125 0.056 18154 5965 1 8 . 1 1 113 113 GLU C C 113 178.001 178.001 177.550 0.451 18154 5966 1 8 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.873 1.113 18154 5967 1 8 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.393 -0.123 18154 5968 1 8 . 1 1 113 113 GLU H H 113 8.305 8.305 7.846 0.459 18154 5969 1 8 . 1 1 114 114 GLN N N 114 117.332 117.332 118.983 -1.651 18154 5970 1 8 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.279 0.316 18154 5971 1 8 . 1 1 114 114 GLN C C 114 174.538 174.538 177.089 -2.551 18154 5972 1 8 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.795 -1.378 18154 5973 1 8 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.432 -4.602 18154 5974 1 8 . 1 1 114 114 GLN H H 114 7.520 7.520 7.596 -0.076 18154 5975 1 8 . 1 1 115 115 SER N N 115 109.100 109.100 109.290 -0.190 18154 5976 1 8 . 1 1 115 115 SER HA H 115 4.200 4.200 4.497 -0.297 18154 5977 1 8 . 1 1 115 115 SER C C 115 172.302 172.302 173.990 -1.688 18154 5978 1 8 . 1 1 115 115 SER CA C 115 60.400 60.400 58.395 2.005 18154 5979 1 8 . 1 1 115 115 SER CB C 115 61.325 61.325 64.547 -3.222 18154 5980 1 8 . 1 1 115 115 SER H H 115 7.950 7.950 7.827 0.123 18154 5981 1 8 . 1 1 116 116 ALA N N 116 121.059 121.059 125.937 -4.878 18154 5982 1 8 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.251 0.543 18154 5983 1 8 . 1 1 116 116 ALA C C 116 176.774 176.774 176.369 0.405 18154 5984 1 8 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.770 -1.080 18154 5985 1 8 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.236 1.129 18154 5986 1 8 . 1 1 116 116 ALA H H 116 7.813 7.813 7.543 0.270 18154 5987 1 8 . 1 1 117 117 GLN N N 117 118.000 118.000 119.410 -1.410 18154 5988 1 8 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.666 -0.048 18154 5989 1 8 . 1 1 117 117 GLN C C 117 173.769 173.769 175.065 -1.296 18154 5990 1 8 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.569 -0.013 18154 5991 1 8 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.366 -0.631 18154 5992 1 8 . 1 1 117 117 GLN H H 117 8.591 8.591 8.221 0.370 18154 5993 1 8 . 1 1 118 118 ARG N N 118 127.947 127.947 125.183 2.764 18154 5994 1 8 . 1 1 118 118 ARG HA H 118 3.308 3.308 3.275 0.033 18154 5995 1 8 . 1 1 118 118 ARG C C 118 176.758 176.758 175.372 1.386 18154 5996 1 8 . 1 1 118 118 ARG CA C 118 56.186 56.186 56.193 -0.007 18154 5997 1 8 . 1 1 118 118 ARG CB C 118 30.310 30.310 31.273 -0.963 18154 5998 1 8 . 1 1 118 118 ARG H H 118 8.659 8.659 8.759 -0.100 18154 5999 1 8 . 1 1 119 119 VAL N N 119 131.939 131.939 123.535 8.404 18154 6000 1 8 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.213 -0.100 18154 6001 1 8 . 1 1 119 119 VAL C C 119 176.775 176.775 176.236 0.539 18154 6002 1 8 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.859 0.314 18154 6003 1 8 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.168 -0.774 18154 6004 1 8 . 1 1 119 119 VAL H H 119 9.520 9.520 8.238 1.282 18154 6005 1 8 . 1 1 120 120 GLY N N 120 116.074 116.074 115.982 0.092 18154 6006 1 8 . 1 1 120 120 GLY C C 120 172.757 172.757 173.596 -0.839 18154 6007 1 8 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.551 -1.653 18154 6008 1 8 . 1 1 120 120 GLY H H 120 8.755 8.755 8.247 0.508 18154 6009 1 8 . 1 1 121 121 GLU N N 121 118.754 118.754 121.355 -2.601 18154 6010 1 8 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.813 -0.147 18154 6011 1 8 . 1 1 121 121 GLU C C 121 177.419 177.419 176.872 0.547 18154 6012 1 8 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.818 -0.327 18154 6013 1 8 . 1 1 121 121 GLU CB C 121 31.498 31.498 31.177 0.321 18154 6014 1 8 . 1 1 121 121 GLU H H 121 8.594 8.594 8.447 0.147 18154 6015 1 8 . 1 1 122 122 MET N N 122 122.642 122.642 121.959 0.683 18154 6016 1 8 . 1 1 122 122 MET HA H 122 4.415 4.415 4.841 -0.426 18154 6017 1 8 . 1 1 122 122 MET C C 122 175.351 175.351 175.224 0.127 18154 6018 1 8 . 1 1 122 122 MET CA C 122 57.024 57.024 55.086 1.938 18154 6019 1 8 . 1 1 122 122 MET CB C 122 34.210 34.210 33.170 1.040 18154 6020 1 8 . 1 1 122 122 MET H H 122 8.892 8.892 8.598 0.294 18154 6021 1 8 . 1 1 123 123 LEU N N 123 129.535 129.535 122.720 6.815 18154 6022 1 8 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.462 -0.112 18154 6023 1 8 . 1 1 123 123 LEU C C 123 173.124 173.124 174.156 -1.032 18154 6024 1 8 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.268 0.471 18154 6025 1 8 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.998 -1.920 18154 6026 1 8 . 1 1 123 123 LEU H H 123 7.868 7.868 7.536 0.332 18154 6027 1 8 . 1 1 124 124 LEU N N 124 127.120 127.120 125.940 1.180 18154 6028 1 8 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.737 0.318 18154 6029 1 8 . 1 1 124 124 LEU C C 124 176.379 176.379 176.086 0.293 18154 6030 1 8 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.068 0.482 18154 6031 1 8 . 1 1 124 124 LEU CB C 124 41.378 41.378 43.008 -1.631 18154 6032 1 8 . 1 1 124 124 LEU H H 124 8.346 8.346 8.201 0.145 18154 6033 1 8 . 1 1 125 125 ILE N N 125 124.337 124.337 124.604 -0.267 18154 6034 1 8 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.256 -0.076 18154 6035 1 8 . 1 1 125 125 ILE C C 125 174.303 174.303 174.740 -0.437 18154 6036 1 8 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.696 0.404 18154 6037 1 8 . 1 1 125 125 ILE CB C 125 39.943 39.943 41.021 -1.078 18154 6038 1 8 . 1 1 125 125 ILE H H 125 8.974 8.974 8.272 0.702 18154 6039 1 8 . 1 1 126 126 ASP N N 126 127.113 127.113 128.114 -1.001 18154 6040 1 8 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.359 -0.244 18154 6041 1 8 . 1 1 126 126 ASP C C 126 176.766 176.766 176.362 0.404 18154 6042 1 8 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.522 -0.675 18154 6043 1 8 . 1 1 126 126 ASP CB C 126 41.100 41.100 41.654 -0.555 18154 6044 1 8 . 1 1 126 126 ASP H H 126 9.397 9.397 8.897 0.500 18154 6045 1 8 . 1 1 127 127 ALA N N 127 131.178 131.178 130.704 0.474 18154 6046 1 8 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.715 -0.399 18154 6047 1 8 . 1 1 127 127 ALA C C 127 178.530 178.530 178.420 0.110 18154 6048 1 8 . 1 1 127 127 ALA CA C 127 53.847 53.847 53.868 -0.021 18154 6049 1 8 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.164 -0.372 18154 6050 1 8 . 1 1 127 127 ALA H H 127 9.696 9.696 8.988 0.708 18154 6051 1 8 . 1 1 128 128 SER N N 128 112.064 112.064 112.103 -0.039 18154 6052 1 8 . 1 1 128 128 SER HA H 128 4.224 4.224 4.355 -0.131 18154 6053 1 8 . 1 1 128 128 SER C C 128 175.000 175.000 175.489 -0.489 18154 6054 1 8 . 1 1 128 128 SER CA C 128 61.246 61.246 60.396 0.850 18154 6055 1 8 . 1 1 128 128 SER CB C 128 63.310 63.310 63.551 -0.241 18154 6056 1 8 . 1 1 128 128 SER H H 128 8.373 8.373 8.111 0.262 18154 6057 1 8 . 1 1 129 129 GLU N N 129 119.468 119.468 119.877 -0.409 18154 6058 1 8 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.439 -0.039 18154 6059 1 8 . 1 1 129 129 GLU C C 129 175.947 175.947 176.034 -0.087 18154 6060 1 8 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.951 -0.536 18154 6061 1 8 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.595 0.135 18154 6062 1 8 . 1 1 129 129 GLU H H 129 7.267 7.267 7.556 -0.289 18154 6063 1 8 . 1 1 130 130 ASN N N 130 115.968 115.968 117.907 -1.939 18154 6064 1 8 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.137 0.029 18154 6065 1 8 . 1 1 130 130 ASN C C 130 172.000 172.000 173.856 -1.856 18154 6066 1 8 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.696 -0.473 18154 6067 1 8 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.777 -0.111 18154 6068 1 8 . 1 1 130 130 ASN H H 130 8.072 8.072 8.156 -0.084 18154 6069 1 8 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.634 -0.084 18154 6070 1 8 . 1 1 131 131 PRO C C 131 176.400 176.400 176.238 0.162 18154 6071 1 8 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.696 -0.196 18154 6072 1 8 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.793 0.507 18154 6073 1 8 . 1 1 132 132 GLU N N 132 119.000 119.000 118.645 0.355 18154 6074 1 8 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.912 0.108 18154 6075 1 8 . 1 1 132 132 GLU C C 132 174.200 174.200 175.203 -1.003 18154 6076 1 8 . 1 1 132 132 GLU CA C 132 53.000 53.000 52.975 0.025 18154 6077 1 8 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.370 0.330 18154 6078 1 8 . 1 1 132 132 GLU H H 132 7.690 7.690 8.136 -0.446 18154 6079 1 8 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.220 -0.220 18154 6080 1 8 . 1 1 133 133 PRO C C 133 177.391 177.391 178.067 -0.676 18154 6081 1 8 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.248 0.221 18154 6082 1 8 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.997 0.148 18154 6083 1 8 . 1 1 134 134 GLU N N 134 122.846 122.846 117.683 5.163 18154 6084 1 8 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.250 0.970 18154 6085 1 8 . 1 1 134 134 GLU C C 134 178.385 178.385 178.663 -0.278 18154 6086 1 8 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.397 -1.805 18154 6087 1 8 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.210 -1.620 18154 6088 1 8 . 1 1 134 134 GLU H H 134 10.707 10.707 8.873 1.834 18154 6089 1 8 . 1 1 135 135 THR N N 135 113.016 113.016 111.212 1.804 18154 6090 1 8 . 1 1 135 135 THR HA H 135 4.182 4.182 4.208 -0.026 18154 6091 1 8 . 1 1 135 135 THR C C 135 176.460 176.460 175.843 0.617 18154 6092 1 8 . 1 1 135 135 THR CA C 135 64.752 64.752 64.885 -0.133 18154 6093 1 8 . 1 1 135 135 THR CB C 135 69.248 69.248 68.896 0.352 18154 6094 1 8 . 1 1 135 135 THR H H 135 8.168 8.168 8.063 0.105 18154 6095 1 8 . 1 1 136 136 GLU N N 136 118.978 118.978 121.267 -2.289 18154 6096 1 8 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.518 0.046 18154 6097 1 8 . 1 1 136 136 GLU C C 136 178.370 178.370 178.542 -0.172 18154 6098 1 8 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.076 -1.163 18154 6099 1 8 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.762 1.338 18154 6100 1 8 . 1 1 136 136 GLU H H 136 7.680 7.680 7.672 0.008 18154 6101 1 8 . 1 1 137 137 SER N N 137 116.501 116.501 116.116 0.385 18154 6102 1 8 . 1 1 137 137 SER HA H 137 4.033 4.033 4.202 -0.169 18154 6103 1 8 . 1 1 137 137 SER C C 137 175.670 175.670 176.653 -0.983 18154 6104 1 8 . 1 1 137 137 SER CA C 137 62.330 62.330 62.149 0.181 18154 6105 1 8 . 1 1 137 137 SER CB C 137 61.380 61.380 62.975 -1.595 18154 6106 1 8 . 1 1 137 137 SER H H 137 8.824 8.824 8.426 0.398 18154 6107 1 8 . 1 1 138 138 ASN N N 138 123.517 123.517 121.279 2.238 18154 6108 1 8 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.742 -0.151 18154 6109 1 8 . 1 1 138 138 ASN C C 138 175.700 175.700 175.401 0.299 18154 6110 1 8 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.796 -0.310 18154 6111 1 8 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.066 -2.813 18154 6112 1 8 . 1 1 138 138 ASN H H 138 8.564 8.564 8.303 0.261 18154 6113 1 8 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.354 0.101 18154 6114 1 8 . 1 1 139 139 PRO C C 139 180.033 180.033 178.452 1.581 18154 6115 1 8 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.315 0.295 18154 6116 1 8 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.146 -0.610 18154 6117 1 8 . 1 1 140 140 TRP N N 140 119.700 119.700 121.598 -1.898 18154 6118 1 8 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.389 -0.056 18154 6119 1 8 . 1 1 140 140 TRP C C 140 179.195 179.195 177.980 1.215 18154 6120 1 8 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.807 0.373 18154 6121 1 8 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.510 1.241 18154 6122 1 8 . 1 1 140 140 TRP H H 140 7.057 7.057 7.738 -0.681 18154 6123 1 8 . 1 1 141 141 VAL N N 141 122.879 122.879 119.338 3.541 18154 6124 1 8 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.713 0.023 18154 6125 1 8 . 1 1 141 141 VAL C C 141 177.416 177.416 178.285 -0.869 18154 6126 1 8 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.673 -0.957 18154 6127 1 8 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.640 -0.208 18154 6128 1 8 . 1 1 141 141 VAL H H 141 9.629 9.629 8.608 1.021 18154 6129 1 8 . 1 1 142 142 GLU N N 142 119.965 119.965 118.973 0.992 18154 6130 1 8 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.978 -0.246 18154 6131 1 8 . 1 1 142 142 GLU C C 142 178.800 178.800 178.595 0.205 18154 6132 1 8 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.374 -0.042 18154 6133 1 8 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.639 -0.079 18154 6134 1 8 . 1 1 142 142 GLU H H 142 8.551 8.551 8.245 0.306 18154 6135 1 8 . 1 1 143 143 GLN N N 143 115.364 115.364 118.447 -3.083 18154 6136 1 8 . 1 1 143 143 GLN HA H 143 4.290 4.290 4.130 0.160 18154 6137 1 8 . 1 1 143 143 GLN C C 143 177.840 177.840 177.807 0.033 18154 6138 1 8 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.039 1.324 18154 6139 1 8 . 1 1 143 143 GLN CB C 143 29.362 29.362 28.823 0.539 18154 6140 1 8 . 1 1 143 143 GLN H H 143 7.380 7.380 7.859 -0.479 18154 6141 1 8 . 1 1 144 144 TRP N N 144 126.680 126.680 122.944 3.736 18154 6142 1 8 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.938 -0.604 18154 6143 1 8 . 1 1 144 144 TRP C C 144 178.200 178.200 178.516 -0.316 18154 6144 1 8 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.768 2.192 18154 6145 1 8 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.285 0.240 18154 6146 1 8 . 1 1 144 144 TRP H H 144 9.215 9.215 8.651 0.564 18154 6147 1 8 . 1 1 145 145 GLY N N 145 100.130 100.130 105.264 -5.134 18154 6148 1 8 . 1 1 145 145 GLY C C 145 177.391 177.391 175.691 1.700 18154 6149 1 8 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.073 -0.313 18154 6150 1 8 . 1 1 145 145 GLY H H 145 8.834 8.834 8.708 0.126 18154 6151 1 8 . 1 1 146 146 THR N N 146 110.831 110.831 113.311 -2.480 18154 6152 1 8 . 1 1 146 146 THR HA H 146 4.319 4.319 4.102 0.217 18154 6153 1 8 . 1 1 146 146 THR C C 146 175.574 175.574 175.628 -0.054 18154 6154 1 8 . 1 1 146 146 THR CA C 146 63.260 63.260 64.048 -0.788 18154 6155 1 8 . 1 1 146 146 THR CB C 146 69.660 69.660 68.788 0.872 18154 6156 1 8 . 1 1 146 146 THR H H 146 7.594 7.594 7.660 -0.066 18154 6157 1 8 . 1 1 147 147 LEU N N 147 120.678 120.678 120.502 0.176 18154 6158 1 8 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.127 -0.069 18154 6159 1 8 . 1 1 147 147 LEU C C 147 177.176 177.176 176.746 0.430 18154 6160 1 8 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.666 -1.352 18154 6161 1 8 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.743 -0.515 18154 6162 1 8 . 1 1 147 147 LEU H H 147 7.458 7.458 7.517 -0.059 18154 6163 1 8 . 1 1 148 148 LEU N N 148 117.062 117.062 118.089 -1.027 18154 6164 1 8 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.990 -0.272 18154 6165 1 8 . 1 1 148 148 LEU C C 148 175.570 175.570 176.649 -1.079 18154 6166 1 8 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.537 -0.586 18154 6167 1 8 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.614 -2.014 18154 6168 1 8 . 1 1 148 148 LEU H H 148 6.482 6.482 6.952 -0.470 18154 6169 1 9 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.616 -0.387 18154 6170 1 9 . 1 1 2 2 ALA C C 2 173.315 173.315 175.817 -2.502 18154 6171 1 9 . 1 1 2 2 ALA CA C 2 51.580 51.580 52.318 -0.738 18154 6172 1 9 . 1 1 2 2 ALA CB C 2 20.223 20.223 20.556 -0.334 18154 6173 1 9 . 1 1 3 3 GLU N N 3 121.874 121.874 120.896 0.978 18154 6174 1 9 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.608 -0.334 18154 6175 1 9 . 1 1 3 3 GLU C C 3 174.545 174.545 175.309 -0.764 18154 6176 1 9 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.167 0.683 18154 6177 1 9 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.934 -1.214 18154 6178 1 9 . 1 1 3 3 GLU H H 3 8.696 8.696 8.754 -0.058 18154 6179 1 9 . 1 1 4 4 ILE N N 4 120.672 120.672 124.975 -4.303 18154 6180 1 9 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.910 0.199 18154 6181 1 9 . 1 1 4 4 ILE C C 4 175.463 175.463 174.818 0.645 18154 6182 1 9 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.157 -0.324 18154 6183 1 9 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.833 2.837 18154 6184 1 9 . 1 1 4 4 ILE H H 4 8.860 8.860 9.378 -0.518 18154 6185 1 9 . 1 1 5 5 GLY N N 5 119.310 119.310 114.440 4.870 18154 6186 1 9 . 1 1 5 5 GLY C C 5 171.260 171.260 172.782 -1.522 18154 6187 1 9 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.246 0.574 18154 6188 1 9 . 1 1 5 5 GLY H H 5 8.469 8.469 8.139 0.330 18154 6189 1 9 . 1 1 6 6 ILE N N 6 126.915 126.915 125.990 0.925 18154 6190 1 9 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.002 0.188 18154 6191 1 9 . 1 1 6 6 ILE C C 6 173.901 173.901 174.467 -0.566 18154 6192 1 9 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.600 -0.600 18154 6193 1 9 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.762 -1.762 18154 6194 1 9 . 1 1 6 6 ILE H H 6 9.056 9.056 9.172 -0.116 18154 6195 1 9 . 1 1 7 7 PHE N N 7 127.354 127.354 127.626 -0.272 18154 6196 1 9 . 1 1 7 7 PHE HA H 7 4.512 4.512 4.974 -0.462 18154 6197 1 9 . 1 1 7 7 PHE C C 7 174.230 174.230 174.668 -0.438 18154 6198 1 9 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.492 1.918 18154 6199 1 9 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.115 1.613 18154 6200 1 9 . 1 1 7 7 PHE H H 7 8.960 8.960 9.476 -0.516 18154 6201 1 9 . 1 1 8 8 VAL HA H 8 5.060 5.060 4.799 0.261 18154 6202 1 9 . 1 1 8 8 VAL C C 8 175.450 175.450 175.766 -0.316 18154 6203 1 9 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.736 0.464 18154 6204 1 9 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.937 0.500 18154 6205 1 9 . 1 1 9 9 GLY N N 9 115.000 115.000 113.398 1.602 18154 6206 1 9 . 1 1 9 9 GLY C C 9 173.150 173.150 173.787 -0.637 18154 6207 1 9 . 1 1 9 9 GLY CA C 9 45.000 45.000 45.546 -0.546 18154 6208 1 9 . 1 1 9 9 GLY H H 9 9.393 9.393 8.758 0.635 18154 6209 1 9 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.263 0.432 18154 6210 1 9 . 1 1 12 12 TYR C C 12 176.560 176.560 177.343 -0.783 18154 6211 1 9 . 1 1 12 12 TYR CA C 12 57.750 57.750 59.631 -1.881 18154 6212 1 9 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.579 -0.579 18154 6213 1 9 . 1 1 13 13 GLY N N 13 109.870 109.870 115.312 -5.442 18154 6214 1 9 . 1 1 13 13 GLY C C 13 175.930 175.930 173.930 2.000 18154 6215 1 9 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.743 1.257 18154 6216 1 9 . 1 1 13 13 GLY H H 13 8.500 8.500 8.535 -0.035 18154 6217 1 9 . 1 1 17 17 LEU HA H 17 4.230 4.230 3.908 0.322 18154 6218 1 9 . 1 1 17 17 LEU C C 17 179.210 179.210 177.916 1.294 18154 6219 1 9 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.467 0.933 18154 6220 1 9 . 1 1 17 17 LEU CB C 17 41.300 41.300 39.960 1.340 18154 6221 1 9 . 1 1 18 18 VAL N N 18 117.231 117.231 120.385 -3.154 18154 6222 1 9 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.522 -0.199 18154 6223 1 9 . 1 1 18 18 VAL C C 18 178.460 178.460 177.709 0.751 18154 6224 1 9 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.158 0.708 18154 6225 1 9 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.944 0.516 18154 6226 1 9 . 1 1 18 18 VAL H H 18 7.645 7.645 8.227 -0.582 18154 6227 1 9 . 1 1 19 19 ALA N N 19 121.820 121.820 121.150 0.670 18154 6228 1 9 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.915 -0.099 18154 6229 1 9 . 1 1 19 19 ALA C C 19 178.180 178.180 179.645 -1.465 18154 6230 1 9 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.294 0.282 18154 6231 1 9 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.182 1.818 18154 6232 1 9 . 1 1 19 19 ALA H H 19 8.010 8.010 8.283 -0.273 18154 6233 1 9 . 1 1 20 20 GLU N N 20 118.960 118.960 118.282 0.678 18154 6234 1 9 . 1 1 20 20 GLU HA H 20 4.016 4.016 3.987 0.029 18154 6235 1 9 . 1 1 20 20 GLU C C 20 180.950 180.950 179.363 1.587 18154 6236 1 9 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.117 0.549 18154 6237 1 9 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.345 -0.045 18154 6238 1 9 . 1 1 20 20 GLU H H 20 8.700 8.700 8.048 0.652 18154 6239 1 9 . 1 1 21 21 GLU N N 21 121.371 121.371 119.384 1.987 18154 6240 1 9 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.080 -0.036 18154 6241 1 9 . 1 1 21 21 GLU C C 21 179.419 179.419 178.740 0.679 18154 6242 1 9 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.125 0.185 18154 6243 1 9 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.266 0.295 18154 6244 1 9 . 1 1 21 21 GLU H H 21 8.632 8.632 7.675 0.957 18154 6245 1 9 . 1 1 22 22 ALA N N 22 121.329 121.329 123.054 -1.725 18154 6246 1 9 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.040 0.018 18154 6247 1 9 . 1 1 22 22 ALA C C 22 178.823 178.823 179.356 -0.533 18154 6248 1 9 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.638 -0.961 18154 6249 1 9 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.057 -0.414 18154 6250 1 9 . 1 1 22 22 ALA H H 22 8.182 8.182 8.633 -0.451 18154 6251 1 9 . 1 1 23 23 GLU N N 23 119.035 119.035 119.536 -0.501 18154 6252 1 9 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.028 -0.624 18154 6253 1 9 . 1 1 23 23 GLU C C 23 178.375 178.375 178.622 -0.247 18154 6254 1 9 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.753 0.555 18154 6255 1 9 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.521 -0.591 18154 6256 1 9 . 1 1 23 23 GLU H H 23 8.387 8.387 8.370 0.017 18154 6257 1 9 . 1 1 24 24 ALA N N 24 122.207 122.207 122.502 -0.295 18154 6258 1 9 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.100 -0.070 18154 6259 1 9 . 1 1 24 24 ALA C C 24 181.132 181.132 179.917 1.215 18154 6260 1 9 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.093 0.394 18154 6261 1 9 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.610 -0.610 18154 6262 1 9 . 1 1 24 24 ALA H H 24 7.535 7.535 8.022 -0.487 18154 6263 1 9 . 1 1 25 25 ILE N N 25 121.059 121.059 119.959 1.100 18154 6264 1 9 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.704 -0.040 18154 6265 1 9 . 1 1 25 25 ILE C C 25 178.419 178.419 177.916 0.503 18154 6266 1 9 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.046 -0.938 18154 6267 1 9 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.112 0.851 18154 6268 1 9 . 1 1 25 25 ILE H H 25 7.800 7.800 8.581 -0.781 18154 6269 1 9 . 1 1 26 26 LEU N N 26 119.307 119.307 120.518 -1.211 18154 6270 1 9 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.217 -0.041 18154 6271 1 9 . 1 1 26 26 LEU C C 26 179.863 179.863 179.754 0.109 18154 6272 1 9 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.194 -0.248 18154 6273 1 9 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.416 -0.276 18154 6274 1 9 . 1 1 26 26 LEU H H 26 8.509 8.509 8.562 -0.053 18154 6275 1 9 . 1 1 27 27 THR N N 27 117.830 117.830 116.239 1.591 18154 6276 1 9 . 1 1 27 27 THR HA H 27 4.524 4.524 4.395 0.129 18154 6277 1 9 . 1 1 27 27 THR C C 27 179.027 179.027 176.357 2.670 18154 6278 1 9 . 1 1 27 27 THR CA C 27 66.000 66.000 66.591 -0.591 18154 6279 1 9 . 1 1 27 27 THR CB C 27 68.600 68.600 68.504 0.096 18154 6280 1 9 . 1 1 27 27 THR H H 27 8.796 8.796 8.529 0.267 18154 6281 1 9 . 1 1 28 28 ALA N N 28 126.313 126.313 122.813 3.500 18154 6282 1 9 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.160 0.045 18154 6283 1 9 . 1 1 28 28 ALA C C 28 179.360 179.360 179.533 -0.173 18154 6284 1 9 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.419 0.581 18154 6285 1 9 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.217 -0.567 18154 6286 1 9 . 1 1 28 28 ALA H H 28 7.832 7.832 7.963 -0.131 18154 6287 1 9 . 1 1 29 29 GLN N N 29 115.527 115.527 116.827 -1.300 18154 6288 1 9 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.086 0.041 18154 6289 1 9 . 1 1 29 29 GLN C C 29 176.547 176.547 176.984 -0.437 18154 6290 1 9 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.136 -0.573 18154 6291 1 9 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.575 -0.165 18154 6292 1 9 . 1 1 29 29 GLN H H 29 7.353 7.353 8.170 -0.817 18154 6293 1 9 . 1 1 30 30 GLY N N 30 105.961 105.961 105.903 0.058 18154 6294 1 9 . 1 1 30 30 GLY C C 30 174.785 174.785 173.471 1.314 18154 6295 1 9 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.568 -0.068 18154 6296 1 9 . 1 1 30 30 GLY H H 30 7.923 7.923 7.711 0.212 18154 6297 1 9 . 1 1 31 31 HIS N N 31 119.471 119.471 116.974 2.497 18154 6298 1 9 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.829 0.006 18154 6299 1 9 . 1 1 31 31 HIS C C 31 174.665 174.665 173.917 0.748 18154 6300 1 9 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.935 0.907 18154 6301 1 9 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.886 0.114 18154 6302 1 9 . 1 1 31 31 HIS H H 31 7.558 7.558 8.119 -0.561 18154 6303 1 9 . 1 1 32 32 LYS N N 32 121.854 121.854 121.395 0.459 18154 6304 1 9 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.501 0.222 18154 6305 1 9 . 1 1 32 32 LYS C C 32 174.466 174.466 174.449 0.017 18154 6306 1 9 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.934 -0.069 18154 6307 1 9 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.622 0.338 18154 6308 1 9 . 1 1 32 32 LYS H H 32 8.665 8.665 8.822 -0.157 18154 6309 1 9 . 1 1 33 33 ALA N N 33 130.188 130.188 129.548 0.640 18154 6310 1 9 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.651 0.167 18154 6311 1 9 . 1 1 33 33 ALA C C 33 175.567 175.567 176.217 -0.650 18154 6312 1 9 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.659 -0.683 18154 6313 1 9 . 1 1 33 33 ALA CB C 33 22.297 22.297 22.062 0.235 18154 6314 1 9 . 1 1 33 33 ALA H H 33 8.837 8.837 8.015 0.822 18154 6315 1 9 . 1 1 34 34 THR N N 34 117.164 117.164 116.624 0.540 18154 6316 1 9 . 1 1 34 34 THR HA H 34 4.359 4.359 4.647 -0.288 18154 6317 1 9 . 1 1 34 34 THR C C 34 171.315 171.315 172.957 -1.642 18154 6318 1 9 . 1 1 34 34 THR CA C 34 61.840 61.840 61.108 0.732 18154 6319 1 9 . 1 1 34 34 THR CB C 34 71.800 71.800 72.471 -0.671 18154 6320 1 9 . 1 1 34 34 THR H H 34 7.826 7.826 8.705 -0.879 18154 6321 1 9 . 1 1 35 35 VAL N N 35 126.650 126.650 122.793 3.857 18154 6322 1 9 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.540 -0.357 18154 6323 1 9 . 1 1 35 35 VAL C C 35 174.675 174.675 175.099 -0.424 18154 6324 1 9 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.714 0.214 18154 6325 1 9 . 1 1 35 35 VAL CB C 35 32.650 32.650 33.054 -0.404 18154 6326 1 9 . 1 1 35 35 VAL H H 35 8.496 8.496 8.327 0.169 18154 6327 1 9 . 1 1 36 36 PHE N N 36 127.630 127.630 125.781 1.849 18154 6328 1 9 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.694 -0.143 18154 6329 1 9 . 1 1 36 36 PHE C C 36 174.347 174.347 175.257 -0.910 18154 6330 1 9 . 1 1 36 36 PHE CA C 36 57.482 57.482 57.038 0.443 18154 6331 1 9 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.395 -0.230 18154 6332 1 9 . 1 1 36 36 PHE H H 36 9.164 9.164 9.193 -0.029 18154 6333 1 9 . 1 1 37 37 GLU N N 37 123.516 123.516 122.355 1.161 18154 6334 1 9 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.363 0.107 18154 6335 1 9 . 1 1 37 37 GLU C C 37 175.954 175.954 174.890 1.064 18154 6336 1 9 . 1 1 37 37 GLU CA C 37 55.719 55.719 57.094 -1.375 18154 6337 1 9 . 1 1 37 37 GLU CB C 37 31.460 31.460 31.081 0.379 18154 6338 1 9 . 1 1 37 37 GLU H H 37 8.455 8.455 8.783 -0.328 18154 6339 1 9 . 1 1 38 38 ASP N N 38 120.395 120.395 118.690 1.705 18154 6340 1 9 . 1 1 38 38 ASP HA H 38 4.833 4.833 5.006 -0.173 18154 6341 1 9 . 1 1 38 38 ASP C C 38 173.920 173.920 173.968 -0.048 18154 6342 1 9 . 1 1 38 38 ASP CA C 38 54.477 54.477 51.572 2.905 18154 6343 1 9 . 1 1 38 38 ASP CB C 38 40.604 40.604 41.885 -1.281 18154 6344 1 9 . 1 1 38 38 ASP H H 38 9.602 9.602 8.064 1.538 18154 6345 1 9 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.727 -0.047 18154 6346 1 9 . 1 1 39 39 PRO C C 39 176.274 176.274 176.596 -0.322 18154 6347 1 9 . 1 1 39 39 PRO CA C 39 62.984 62.984 62.983 0.001 18154 6348 1 9 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.800 1.600 18154 6349 1 9 . 1 1 40 40 GLU N N 40 119.026 119.026 123.772 -4.746 18154 6350 1 9 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.534 0.194 18154 6351 1 9 . 1 1 40 40 GLU C C 40 177.827 177.827 177.215 0.612 18154 6352 1 9 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.092 -1.122 18154 6353 1 9 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.637 1.764 18154 6354 1 9 . 1 1 40 40 GLU H H 40 9.178 9.178 8.636 0.542 18154 6355 1 9 . 1 1 41 41 LEU N N 41 123.708 123.708 125.050 -1.342 18154 6356 1 9 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.202 -0.308 18154 6357 1 9 . 1 1 41 41 LEU C C 41 178.730 178.730 178.247 0.483 18154 6358 1 9 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.874 0.533 18154 6359 1 9 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.821 -0.168 18154 6360 1 9 . 1 1 41 41 LEU H H 41 9.160 9.160 8.863 0.297 18154 6361 1 9 . 1 1 42 42 SER N N 42 110.500 110.500 114.363 -3.863 18154 6362 1 9 . 1 1 42 42 SER HA H 42 4.010 4.010 4.309 -0.299 18154 6363 1 9 . 1 1 42 42 SER C C 42 176.300 176.300 175.044 1.256 18154 6364 1 9 . 1 1 42 42 SER CA C 42 61.600 61.600 60.777 0.823 18154 6365 1 9 . 1 1 42 42 SER CB C 42 62.140 62.140 62.798 -0.658 18154 6366 1 9 . 1 1 42 42 SER H H 42 8.415 8.415 8.596 -0.181 18154 6367 1 9 . 1 1 43 43 ASP N N 43 119.770 119.770 120.801 -1.031 18154 6368 1 9 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.762 -0.305 18154 6369 1 9 . 1 1 43 43 ASP C C 43 176.150 176.150 176.303 -0.153 18154 6370 1 9 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.348 1.402 18154 6371 1 9 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.133 1.567 18154 6372 1 9 . 1 1 43 43 ASP H H 43 7.690 7.690 8.000 -0.310 18154 6373 1 9 . 1 1 44 44 TRP N N 44 118.500 118.500 121.244 -2.744 18154 6374 1 9 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.451 -0.241 18154 6375 1 9 . 1 1 44 44 TRP C C 44 177.150 177.150 177.721 -0.571 18154 6376 1 9 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.542 0.845 18154 6377 1 9 . 1 1 44 44 TRP CB C 44 30.310 30.310 29.977 0.333 18154 6378 1 9 . 1 1 44 44 TRP H H 44 7.464 7.464 7.292 0.172 18154 6379 1 9 . 1 1 45 45 LEU N N 45 114.100 114.100 121.191 -7.091 18154 6380 1 9 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.052 0.123 18154 6381 1 9 . 1 1 45 45 LEU C C 45 176.300 176.300 175.840 0.460 18154 6382 1 9 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.435 -0.875 18154 6383 1 9 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.370 -0.150 18154 6384 1 9 . 1 1 45 45 LEU H H 45 7.550 7.550 8.611 -1.061 18154 6385 1 9 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.252 0.128 18154 6386 1 9 . 1 1 46 46 PRO C C 46 176.799 176.799 177.216 -0.417 18154 6387 1 9 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.504 0.783 18154 6388 1 9 . 1 1 46 46 PRO CB C 46 31.600 31.600 30.924 0.676 18154 6389 1 9 . 1 1 47 47 TYR N N 47 113.790 113.790 118.054 -4.264 18154 6390 1 9 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.637 -0.517 18154 6391 1 9 . 1 1 47 47 TYR C C 47 175.730 175.730 178.199 -2.469 18154 6392 1 9 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.209 1.991 18154 6393 1 9 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.484 0.532 18154 6394 1 9 . 1 1 47 47 TYR H H 47 8.291 8.291 8.296 -0.005 18154 6395 1 9 . 1 1 48 48 GLN N N 48 116.524 116.524 120.411 -3.887 18154 6396 1 9 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.952 -0.067 18154 6397 1 9 . 1 1 48 48 GLN C C 48 174.381 174.381 176.176 -1.795 18154 6398 1 9 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.849 -0.023 18154 6399 1 9 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.790 2.210 18154 6400 1 9 . 1 1 48 48 GLN H H 48 7.300 7.300 7.453 -0.153 18154 6401 1 9 . 1 1 49 49 ASP N N 49 114.657 114.657 113.848 0.809 18154 6402 1 9 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.624 0.063 18154 6403 1 9 . 1 1 49 49 ASP C C 49 176.307 176.307 175.607 0.700 18154 6404 1 9 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.673 -1.938 18154 6405 1 9 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.056 -0.856 18154 6406 1 9 . 1 1 49 49 ASP H H 49 7.854 7.854 8.379 -0.525 18154 6407 1 9 . 1 1 50 50 LYS N N 50 123.514 123.514 119.465 4.049 18154 6408 1 9 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.191 0.399 18154 6409 1 9 . 1 1 50 50 LYS C C 50 172.964 172.964 175.478 -2.514 18154 6410 1 9 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.712 -1.019 18154 6411 1 9 . 1 1 50 50 LYS CB C 50 33.355 33.355 34.413 -1.058 18154 6412 1 9 . 1 1 50 50 LYS H H 50 7.833 7.833 7.302 0.531 18154 6413 1 9 . 1 1 51 51 TYR N N 51 118.375 118.375 115.789 2.586 18154 6414 1 9 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.662 0.393 18154 6415 1 9 . 1 1 51 51 TYR C C 51 175.875 175.875 176.124 -0.249 18154 6416 1 9 . 1 1 51 51 TYR CA C 51 56.421 56.421 56.886 -0.465 18154 6417 1 9 . 1 1 51 51 TYR CB C 51 42.477 42.477 41.108 1.369 18154 6418 1 9 . 1 1 51 51 TYR H H 51 7.745 7.745 8.327 -0.582 18154 6419 1 9 . 1 1 52 52 VAL N N 52 112.527 112.527 116.532 -4.005 18154 6420 1 9 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.856 0.644 18154 6421 1 9 . 1 1 52 52 VAL C C 52 173.910 173.910 174.110 -0.200 18154 6422 1 9 . 1 1 52 52 VAL CA C 52 58.696 58.696 61.013 -2.317 18154 6423 1 9 . 1 1 52 52 VAL CB C 52 36.492 36.492 34.633 1.859 18154 6424 1 9 . 1 1 52 52 VAL H H 52 8.673 8.673 8.522 0.151 18154 6425 1 9 . 1 1 53 53 LEU N N 53 124.294 124.294 126.466 -2.172 18154 6426 1 9 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.168 -0.268 18154 6427 1 9 . 1 1 53 53 LEU C C 53 175.070 175.070 174.699 0.371 18154 6428 1 9 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.397 -0.831 18154 6429 1 9 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.040 -0.810 18154 6430 1 9 . 1 1 53 53 LEU H H 53 9.137 9.137 9.193 -0.056 18154 6431 1 9 . 1 1 54 54 VAL N N 54 127.850 127.850 127.135 0.715 18154 6432 1 9 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.638 -0.128 18154 6433 1 9 . 1 1 54 54 VAL C C 54 174.030 174.030 174.477 -0.447 18154 6434 1 9 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.361 0.464 18154 6435 1 9 . 1 1 54 54 VAL CB C 54 32.691 32.691 32.528 0.163 18154 6436 1 9 . 1 1 54 54 VAL H H 54 8.619 8.619 8.999 -0.380 18154 6437 1 9 . 1 1 55 55 VAL N N 55 127.181 127.181 127.270 -0.089 18154 6438 1 9 . 1 1 55 55 VAL HA H 55 5.085 5.085 5.007 0.078 18154 6439 1 9 . 1 1 55 55 VAL C C 55 174.942 174.942 174.772 0.170 18154 6440 1 9 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.579 -0.510 18154 6441 1 9 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.247 -0.025 18154 6442 1 9 . 1 1 55 55 VAL H H 55 8.578 8.578 8.691 -0.113 18154 6443 1 9 . 1 1 56 56 THR N N 56 117.420 117.420 122.395 -4.975 18154 6444 1 9 . 1 1 56 56 THR HA H 56 5.590 5.590 4.507 1.083 18154 6445 1 9 . 1 1 56 56 THR C C 56 172.640 172.640 172.537 0.103 18154 6446 1 9 . 1 1 56 56 THR CA C 56 59.359 59.359 60.484 -1.125 18154 6447 1 9 . 1 1 56 56 THR CB C 56 70.715 70.715 70.467 0.248 18154 6448 1 9 . 1 1 56 56 THR H H 56 8.710 8.710 8.898 -0.188 18154 6449 1 9 . 1 1 57 57 SER HA H 57 5.250 5.250 4.955 0.295 18154 6450 1 9 . 1 1 57 57 SER CA C 57 57.730 57.730 59.006 -1.276 18154 6451 1 9 . 1 1 57 57 SER CB C 57 64.500 64.500 63.942 0.558 18154 6452 1 9 . 1 1 57 57 SER H H 57 8.075 8.075 8.555 -0.480 18154 6453 1 9 . 1 1 58 58 THR H H 58 7.900 7.900 8.681 -0.781 18154 6454 1 9 . 1 1 59 59 THR HA H 59 4.900 4.900 3.677 1.223 18154 6455 1 9 . 1 1 59 59 THR CA C 59 61.200 61.200 64.262 -3.062 18154 6456 1 9 . 1 1 59 59 THR CB C 59 73.400 73.400 68.061 5.339 18154 6457 1 9 . 1 1 59 59 THR H H 59 9.230 9.230 8.748 0.482 18154 6458 1 9 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.576 0.924 18154 6459 1 9 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.154 0.252 18154 6460 1 9 . 1 1 61 61 GLN C C 61 175.950 175.950 176.264 -0.314 18154 6461 1 9 . 1 1 61 61 GLN CA C 61 55.350 55.350 57.197 -1.847 18154 6462 1 9 . 1 1 61 61 GLN CB C 61 29.160 29.160 29.568 -0.408 18154 6463 1 9 . 1 1 62 62 GLY N N 62 108.420 108.420 106.335 2.085 18154 6464 1 9 . 1 1 62 62 GLY C C 62 173.134 173.134 172.859 0.275 18154 6465 1 9 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.619 1.165 18154 6466 1 9 . 1 1 62 62 GLY H H 62 8.073 8.073 7.607 0.466 18154 6467 1 9 . 1 1 63 63 ASP N N 63 118.400 118.400 120.989 -2.589 18154 6468 1 9 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.778 0.002 18154 6469 1 9 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.753 0.543 18154 6470 1 9 . 1 1 63 63 ASP CB C 63 42.740 42.740 42.800 -0.060 18154 6471 1 9 . 1 1 63 63 ASP H H 63 7.248 7.248 7.818 -0.570 18154 6472 1 9 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.591 -0.191 18154 6473 1 9 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.790 1.360 18154 6474 1 9 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.562 -0.875 18154 6475 1 9 . 1 1 64 64 LEU H H 64 8.445 8.445 8.094 0.351 18154 6476 1 9 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.461 -0.168 18154 6477 1 9 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.252 0.093 18154 6478 1 9 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.683 -0.203 18154 6479 1 9 . 1 1 66 66 ASP N N 66 121.200 121.200 121.940 -0.740 18154 6480 1 9 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.376 -0.116 18154 6481 1 9 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.494 1.136 18154 6482 1 9 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.924 -0.124 18154 6483 1 9 . 1 1 66 66 ASP H H 66 8.605 8.605 8.773 -0.168 18154 6484 1 9 . 1 1 67 67 SER HA H 67 4.292 4.292 4.442 -0.150 18154 6485 1 9 . 1 1 67 67 SER C C 67 175.650 175.650 174.895 0.755 18154 6486 1 9 . 1 1 67 67 SER CA C 67 60.500 60.500 60.359 0.140 18154 6487 1 9 . 1 1 67 67 SER CB C 67 63.530 63.530 63.628 -0.098 18154 6488 1 9 . 1 1 68 68 ILE N N 68 120.550 120.550 120.121 0.429 18154 6489 1 9 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.411 0.699 18154 6490 1 9 . 1 1 68 68 ILE C C 68 174.713 174.713 176.363 -1.650 18154 6491 1 9 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.892 -0.492 18154 6492 1 9 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.297 3.943 18154 6493 1 9 . 1 1 68 68 ILE H H 68 7.870 7.870 7.738 0.132 18154 6494 1 9 . 1 1 69 69 VAL N N 69 125.740 125.740 123.125 2.615 18154 6495 1 9 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.733 0.012 18154 6496 1 9 . 1 1 69 69 VAL C C 69 174.500 174.500 175.111 -0.611 18154 6497 1 9 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.182 -0.632 18154 6498 1 9 . 1 1 69 69 VAL CB C 69 30.130 30.130 28.774 1.356 18154 6499 1 9 . 1 1 69 69 VAL H H 69 7.428 7.428 8.024 -0.596 18154 6500 1 9 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.383 -0.091 18154 6501 1 9 . 1 1 70 70 PRO C C 70 180.820 180.820 178.767 2.053 18154 6502 1 9 . 1 1 70 70 PRO CA C 70 66.470 66.470 65.986 0.484 18154 6503 1 9 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.261 -0.604 18154 6504 1 9 . 1 1 71 71 LEU N N 71 119.467 119.467 120.009 -0.542 18154 6505 1 9 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.025 -0.180 18154 6506 1 9 . 1 1 71 71 LEU C C 71 176.489 176.489 178.395 -1.906 18154 6507 1 9 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.869 0.338 18154 6508 1 9 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.762 -0.276 18154 6509 1 9 . 1 1 71 71 LEU H H 71 7.918 7.918 7.621 0.297 18154 6510 1 9 . 1 1 72 72 PHE N N 72 119.361 119.361 120.023 -0.662 18154 6511 1 9 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.322 -0.177 18154 6512 1 9 . 1 1 72 72 PHE C C 72 175.968 175.968 176.861 -0.893 18154 6513 1 9 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.963 -0.142 18154 6514 1 9 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.666 0.881 18154 6515 1 9 . 1 1 72 72 PHE H H 72 7.903 7.903 8.733 -0.830 18154 6516 1 9 . 1 1 73 73 GLN N N 73 116.100 116.100 116.804 -0.704 18154 6517 1 9 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.771 -0.244 18154 6518 1 9 . 1 1 73 73 GLN C C 73 177.871 177.871 178.551 -0.680 18154 6519 1 9 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.964 -0.824 18154 6520 1 9 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.496 -0.349 18154 6521 1 9 . 1 1 73 73 GLN H H 73 9.042 9.042 8.389 0.653 18154 6522 1 9 . 1 1 74 74 GLY N N 74 107.110 107.110 108.535 -1.425 18154 6523 1 9 . 1 1 74 74 GLY C C 74 175.894 175.894 176.164 -0.270 18154 6524 1 9 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.915 0.365 18154 6525 1 9 . 1 1 74 74 GLY H H 74 8.045 8.045 8.263 -0.218 18154 6526 1 9 . 1 1 75 75 ILE N N 75 123.629 123.629 122.754 0.875 18154 6527 1 9 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.338 -0.288 18154 6528 1 9 . 1 1 75 75 ILE C C 75 178.622 178.622 177.097 1.525 18154 6529 1 9 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.855 0.403 18154 6530 1 9 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.422 0.546 18154 6531 1 9 . 1 1 75 75 ILE H H 75 8.174 8.174 8.144 0.030 18154 6532 1 9 . 1 1 76 76 LYS N N 76 119.363 119.363 118.530 0.833 18154 6533 1 9 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.752 -0.447 18154 6534 1 9 . 1 1 76 76 LYS C C 76 177.909 177.909 178.257 -0.348 18154 6535 1 9 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.281 0.425 18154 6536 1 9 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.904 0.446 18154 6537 1 9 . 1 1 76 76 LYS H H 76 7.600 7.600 7.423 0.177 18154 6538 1 9 . 1 1 77 77 ASP N N 77 115.190 115.190 118.008 -2.818 18154 6539 1 9 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.549 -0.067 18154 6540 1 9 . 1 1 77 77 ASP C C 77 178.825 178.825 178.271 0.554 18154 6541 1 9 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.191 0.090 18154 6542 1 9 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.816 -0.626 18154 6543 1 9 . 1 1 77 77 ASP H H 77 8.482 8.482 8.300 0.182 18154 6544 1 9 . 1 1 78 78 SER N N 78 112.576 112.576 116.108 -3.532 18154 6545 1 9 . 1 1 78 78 SER HA H 78 4.728 4.728 4.392 0.336 18154 6546 1 9 . 1 1 78 78 SER C C 78 174.556 174.556 174.945 -0.389 18154 6547 1 9 . 1 1 78 78 SER CA C 78 60.045 60.045 60.507 -0.462 18154 6548 1 9 . 1 1 78 78 SER CB C 78 64.643 64.643 63.895 0.748 18154 6549 1 9 . 1 1 78 78 SER H H 78 8.273 8.273 7.991 0.282 18154 6550 1 9 . 1 1 79 79 LEU N N 79 120.833 120.833 120.820 0.013 18154 6551 1 9 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.413 0.402 18154 6552 1 9 . 1 1 79 79 LEU C C 79 176.251 176.251 178.753 -2.502 18154 6553 1 9 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.387 -2.427 18154 6554 1 9 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.025 -2.829 18154 6555 1 9 . 1 1 79 79 LEU H H 79 7.025 7.025 7.588 -0.563 18154 6556 1 9 . 1 1 80 80 GLY N N 80 108.861 108.861 106.758 2.103 18154 6557 1 9 . 1 1 80 80 GLY C C 80 173.623 173.623 173.523 0.100 18154 6558 1 9 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.384 -0.155 18154 6559 1 9 . 1 1 80 80 GLY H H 80 7.499 7.499 8.105 -0.606 18154 6560 1 9 . 1 1 81 81 PHE N N 81 121.441 121.441 119.902 1.539 18154 6561 1 9 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.731 0.329 18154 6562 1 9 . 1 1 81 81 PHE C C 81 174.411 174.411 172.532 1.879 18154 6563 1 9 . 1 1 81 81 PHE CA C 81 57.211 57.211 56.924 0.287 18154 6564 1 9 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.970 -1.350 18154 6565 1 9 . 1 1 81 81 PHE H H 81 8.018 8.018 7.541 0.477 18154 6566 1 9 . 1 1 82 82 GLN N N 82 126.480 126.480 122.130 4.350 18154 6567 1 9 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.741 0.149 18154 6568 1 9 . 1 1 82 82 GLN C C 82 172.700 172.700 173.826 -1.126 18154 6569 1 9 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.049 2.128 18154 6570 1 9 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.452 2.148 18154 6571 1 9 . 1 1 82 82 GLN H H 82 9.588 9.588 7.717 1.871 18154 6572 1 9 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.180 0.193 18154 6573 1 9 . 1 1 83 83 PRO C C 83 178.163 178.163 176.635 1.528 18154 6574 1 9 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.742 -1.051 18154 6575 1 9 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.292 -0.427 18154 6576 1 9 . 1 1 84 84 ASN N N 84 116.900 116.900 114.122 2.778 18154 6577 1 9 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.875 -0.106 18154 6578 1 9 . 1 1 84 84 ASN C C 84 173.332 173.332 173.476 -0.144 18154 6579 1 9 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.660 -0.100 18154 6580 1 9 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.148 -0.888 18154 6581 1 9 . 1 1 84 84 ASN H H 84 8.578 8.578 8.120 0.458 18154 6582 1 9 . 1 1 85 85 LEU N N 85 124.380 124.380 122.662 1.718 18154 6583 1 9 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.346 -0.300 18154 6584 1 9 . 1 1 85 85 LEU C C 85 175.880 175.880 175.851 0.029 18154 6585 1 9 . 1 1 85 85 LEU CA C 85 55.842 55.842 55.118 0.724 18154 6586 1 9 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.147 -0.847 18154 6587 1 9 . 1 1 85 85 LEU H H 85 7.240 7.240 7.650 -0.410 18154 6588 1 9 . 1 1 86 86 ARG N N 86 128.715 128.715 124.383 4.332 18154 6589 1 9 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.792 0.002 18154 6590 1 9 . 1 1 86 86 ARG C C 86 175.554 175.554 175.763 -0.209 18154 6591 1 9 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.062 1.380 18154 6592 1 9 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.543 -0.670 18154 6593 1 9 . 1 1 86 86 ARG H H 86 7.732 7.732 8.017 -0.285 18154 6594 1 9 . 1 1 87 87 TYR N N 87 117.420 117.420 117.816 -0.396 18154 6595 1 9 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.825 0.940 18154 6596 1 9 . 1 1 87 87 TYR C C 87 172.931 172.931 173.557 -0.626 18154 6597 1 9 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.238 -0.977 18154 6598 1 9 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.543 3.395 18154 6599 1 9 . 1 1 87 87 TYR H H 87 8.783 8.783 7.912 0.871 18154 6600 1 9 . 1 1 88 88 GLY N N 88 107.765 107.765 105.233 2.532 18154 6601 1 9 . 1 1 88 88 GLY C C 88 172.621 172.621 171.674 0.947 18154 6602 1 9 . 1 1 88 88 GLY CA C 88 43.861 43.861 43.482 0.379 18154 6603 1 9 . 1 1 88 88 GLY H H 88 8.905 8.905 8.900 0.005 18154 6604 1 9 . 1 1 89 89 VAL N N 89 118.180 118.180 118.860 -0.680 18154 6605 1 9 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.963 0.038 18154 6606 1 9 . 1 1 89 89 VAL C C 89 172.939 172.939 173.918 -0.979 18154 6607 1 9 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.864 0.135 18154 6608 1 9 . 1 1 89 89 VAL CB C 89 36.398 36.398 36.161 0.237 18154 6609 1 9 . 1 1 89 89 VAL H H 89 7.499 7.499 8.411 -0.912 18154 6610 1 9 . 1 1 90 90 ILE N N 90 125.000 125.000 124.690 0.310 18154 6611 1 9 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.462 -0.335 18154 6612 1 9 . 1 1 90 90 ILE C C 90 173.099 173.099 173.888 -0.789 18154 6613 1 9 . 1 1 90 90 ILE CA C 90 60.488 60.488 60.272 0.216 18154 6614 1 9 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.111 0.287 18154 6615 1 9 . 1 1 90 90 ILE H H 90 8.810 8.810 8.983 -0.173 18154 6616 1 9 . 1 1 91 91 ALA N N 91 129.036 129.036 129.831 -0.795 18154 6617 1 9 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.486 -0.160 18154 6618 1 9 . 1 1 91 91 ALA C C 91 174.000 174.000 175.963 -1.963 18154 6619 1 9 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.704 -0.704 18154 6620 1 9 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.201 0.899 18154 6621 1 9 . 1 1 91 91 ALA H H 91 9.253 9.253 9.021 0.232 18154 6622 1 9 . 1 1 92 92 LEU HA H 92 4.931 4.931 4.992 -0.061 18154 6623 1 9 . 1 1 92 92 LEU C C 92 177.366 177.366 176.196 1.170 18154 6624 1 9 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.306 0.611 18154 6625 1 9 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.240 -2.840 18154 6626 1 9 . 1 1 93 93 GLY N N 93 110.663 110.663 107.699 2.964 18154 6627 1 9 . 1 1 93 93 GLY C C 93 172.029 172.029 171.699 0.330 18154 6628 1 9 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.944 -0.214 18154 6629 1 9 . 1 1 93 93 GLY H H 93 8.687 8.687 8.866 -0.179 18154 6630 1 9 . 1 1 94 94 ASP N N 94 119.304 119.304 120.610 -1.306 18154 6631 1 9 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.339 -0.079 18154 6632 1 9 . 1 1 94 94 ASP C C 94 176.978 176.978 177.776 -0.798 18154 6633 1 9 . 1 1 94 94 ASP CA C 94 53.607 53.607 51.997 1.610 18154 6634 1 9 . 1 1 94 94 ASP CB C 94 43.000 43.000 42.007 0.993 18154 6635 1 9 . 1 1 94 94 ASP H H 94 8.129 8.129 8.617 -0.488 18154 6636 1 9 . 1 1 95 95 SER N N 95 123.897 123.897 121.899 1.998 18154 6637 1 9 . 1 1 95 95 SER HA H 95 3.895 3.895 4.393 -0.498 18154 6638 1 9 . 1 1 95 95 SER C C 95 175.243 175.243 175.299 -0.056 18154 6639 1 9 . 1 1 95 95 SER CA C 95 60.183 60.183 59.936 0.247 18154 6640 1 9 . 1 1 95 95 SER CB C 95 61.700 61.700 62.436 -0.736 18154 6641 1 9 . 1 1 95 95 SER H H 95 8.878 8.878 8.603 0.275 18154 6642 1 9 . 1 1 96 96 SER N N 96 119.248 119.248 117.252 1.996 18154 6643 1 9 . 1 1 96 96 SER HA H 96 4.209 4.209 4.241 -0.032 18154 6644 1 9 . 1 1 96 96 SER C C 96 173.900 173.900 174.560 -0.660 18154 6645 1 9 . 1 1 96 96 SER CA C 96 60.197 60.197 60.509 -0.312 18154 6646 1 9 . 1 1 96 96 SER CB C 96 63.000 63.000 63.456 -0.456 18154 6647 1 9 . 1 1 96 96 SER H H 96 9.124 9.124 8.424 0.700 18154 6648 1 9 . 1 1 97 97 TYR N N 97 120.889 120.889 119.885 1.004 18154 6649 1 9 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.475 0.413 18154 6650 1 9 . 1 1 97 97 TYR C C 97 175.972 175.972 177.042 -1.070 18154 6651 1 9 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.311 -2.561 18154 6652 1 9 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.248 0.572 18154 6653 1 9 . 1 1 97 97 TYR H H 97 7.664 7.664 7.775 -0.111 18154 6654 1 9 . 1 1 98 98 VAL N N 98 116.952 116.952 119.154 -2.202 18154 6655 1 9 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.827 0.233 18154 6656 1 9 . 1 1 98 98 VAL C C 98 175.969 175.969 176.860 -0.891 18154 6657 1 9 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.040 -2.200 18154 6658 1 9 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.989 0.611 18154 6659 1 9 . 1 1 98 98 VAL H H 98 7.970 7.970 8.443 -0.473 18154 6660 1 9 . 1 1 99 99 ASN N N 99 118.156 118.156 120.287 -2.131 18154 6661 1 9 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.834 -0.323 18154 6662 1 9 . 1 1 99 99 ASN C C 99 174.329 174.329 174.806 -0.477 18154 6663 1 9 . 1 1 99 99 ASN CA C 99 53.031 53.031 53.056 -0.025 18154 6664 1 9 . 1 1 99 99 ASN CB C 99 37.238 37.238 37.639 -0.401 18154 6665 1 9 . 1 1 99 99 ASN H H 99 8.296 8.296 7.934 0.362 18154 6666 1 9 . 1 1 100 100 PHE N N 100 118.649 118.649 123.874 -5.225 18154 6667 1 9 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.411 0.004 18154 6668 1 9 . 1 1 100 100 PHE C C 100 174.400 174.400 175.997 -1.597 18154 6669 1 9 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.713 -3.523 18154 6670 1 9 . 1 1 100 100 PHE CB C 100 39.679 39.679 39.807 -0.128 18154 6671 1 9 . 1 1 100 100 PHE H H 100 7.855 7.855 7.970 -0.115 18154 6672 1 9 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.427 -0.842 18154 6673 1 9 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.812 4.928 18154 6674 1 9 . 1 1 101 101 CYS CB C 101 26.000 26.000 26.549 -0.549 18154 6675 1 9 . 1 1 101 101 CYS H H 101 9.240 9.240 8.071 1.169 18154 6676 1 9 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.480 -0.260 18154 6677 1 9 . 1 1 102 102 ASN CA C 102 57.200 57.200 55.895 1.305 18154 6678 1 9 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.165 0.435 18154 6679 1 9 . 1 1 102 102 ASN H H 102 8.300 8.300 8.597 -0.297 18154 6680 1 9 . 1 1 103 103 GLY C C 103 175.690 175.690 175.796 -0.106 18154 6681 1 9 . 1 1 103 103 GLY CA C 103 47.350 47.350 46.727 0.623 18154 6682 1 9 . 1 1 104 104 GLY N N 104 106.150 106.150 110.118 -3.968 18154 6683 1 9 . 1 1 104 104 GLY C C 104 174.570 174.570 176.250 -1.680 18154 6684 1 9 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.730 0.620 18154 6685 1 9 . 1 1 104 104 GLY H H 104 7.108 7.108 7.872 -0.764 18154 6686 1 9 . 1 1 105 105 LYS N N 105 120.732 120.732 121.993 -1.261 18154 6687 1 9 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.993 -0.056 18154 6688 1 9 . 1 1 105 105 LYS C C 105 179.706 179.706 179.050 0.656 18154 6689 1 9 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.879 0.429 18154 6690 1 9 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.320 -0.523 18154 6691 1 9 . 1 1 105 105 LYS H H 105 7.708 7.708 8.023 -0.315 18154 6692 1 9 . 1 1 106 106 GLN N N 106 119.087 119.087 118.856 0.231 18154 6693 1 9 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.114 0.028 18154 6694 1 9 . 1 1 106 106 GLN C C 106 179.418 179.418 178.427 0.991 18154 6695 1 9 . 1 1 106 106 GLN CA C 106 58.875 58.875 59.070 -0.195 18154 6696 1 9 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.587 0.173 18154 6697 1 9 . 1 1 106 106 GLN H H 106 8.738 8.738 8.310 0.428 18154 6698 1 9 . 1 1 107 107 PHE N N 107 123.088 123.088 120.612 2.476 18154 6699 1 9 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.395 -0.145 18154 6700 1 9 . 1 1 107 107 PHE C C 107 178.403 178.403 177.510 0.893 18154 6701 1 9 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.674 0.511 18154 6702 1 9 . 1 1 107 107 PHE CB C 107 39.451 39.451 39.072 0.380 18154 6703 1 9 . 1 1 107 107 PHE H H 107 7.922 7.922 8.385 -0.463 18154 6704 1 9 . 1 1 108 108 ASP N N 108 117.118 117.118 120.371 -3.253 18154 6705 1 9 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.544 -0.170 18154 6706 1 9 . 1 1 108 108 ASP C C 108 176.973 176.973 178.339 -1.366 18154 6707 1 9 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.405 1.024 18154 6708 1 9 . 1 1 108 108 ASP CB C 108 44.123 44.123 40.906 3.217 18154 6709 1 9 . 1 1 108 108 ASP H H 108 8.305 8.305 8.150 0.155 18154 6710 1 9 . 1 1 109 109 ALA N N 109 118.590 118.590 122.190 -3.600 18154 6711 1 9 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.062 -0.012 18154 6712 1 9 . 1 1 109 109 ALA C C 109 180.430 180.430 179.392 1.038 18154 6713 1 9 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.026 0.170 18154 6714 1 9 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.580 -0.473 18154 6715 1 9 . 1 1 109 109 ALA H H 109 8.332 8.332 8.176 0.156 18154 6716 1 9 . 1 1 110 110 LEU N N 110 120.402 120.402 119.527 0.875 18154 6717 1 9 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.843 0.242 18154 6718 1 9 . 1 1 110 110 LEU C C 110 177.801 177.801 178.653 -0.852 18154 6719 1 9 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.696 -0.056 18154 6720 1 9 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.721 1.035 18154 6721 1 9 . 1 1 110 110 LEU H H 110 7.868 7.868 8.102 -0.234 18154 6722 1 9 . 1 1 111 111 LEU N N 111 116.945 116.945 117.222 -0.277 18154 6723 1 9 . 1 1 111 111 LEU HA H 111 3.718 3.718 4.037 -0.319 18154 6724 1 9 . 1 1 111 111 LEU C C 111 179.838 179.838 179.674 0.164 18154 6725 1 9 . 1 1 111 111 LEU CA C 111 57.965 57.965 56.971 0.994 18154 6726 1 9 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.269 -2.409 18154 6727 1 9 . 1 1 111 111 LEU H H 111 7.704 7.704 7.343 0.361 18154 6728 1 9 . 1 1 112 112 GLN N N 112 118.484 118.484 116.950 1.534 18154 6729 1 9 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.142 -0.001 18154 6730 1 9 . 1 1 112 112 GLN C C 112 181.218 181.218 178.160 3.058 18154 6731 1 9 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.759 1.207 18154 6732 1 9 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.287 0.973 18154 6733 1 9 . 1 1 112 112 GLN H H 112 8.441 8.441 8.006 0.435 18154 6734 1 9 . 1 1 113 113 GLU N N 113 122.905 122.905 117.091 5.814 18154 6735 1 9 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.137 0.044 18154 6736 1 9 . 1 1 113 113 GLU C C 113 178.001 178.001 177.554 0.447 18154 6737 1 9 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.887 1.098 18154 6738 1 9 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.424 -0.154 18154 6739 1 9 . 1 1 113 113 GLU H H 113 8.305 8.305 7.826 0.479 18154 6740 1 9 . 1 1 114 114 GLN N N 114 117.332 117.332 118.891 -1.559 18154 6741 1 9 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.305 0.290 18154 6742 1 9 . 1 1 114 114 GLN C C 114 174.538 174.538 177.054 -2.516 18154 6743 1 9 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.732 -1.315 18154 6744 1 9 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.490 -4.660 18154 6745 1 9 . 1 1 114 114 GLN H H 114 7.520 7.520 7.612 -0.092 18154 6746 1 9 . 1 1 115 115 SER N N 115 109.100 109.100 110.229 -1.129 18154 6747 1 9 . 1 1 115 115 SER HA H 115 4.200 4.200 4.499 -0.299 18154 6748 1 9 . 1 1 115 115 SER C C 115 172.302 172.302 174.127 -1.825 18154 6749 1 9 . 1 1 115 115 SER CA C 115 60.400 60.400 58.411 1.989 18154 6750 1 9 . 1 1 115 115 SER CB C 115 61.325 61.325 64.672 -3.348 18154 6751 1 9 . 1 1 115 115 SER H H 115 7.950 7.950 7.764 0.186 18154 6752 1 9 . 1 1 116 116 ALA N N 116 121.059 121.059 125.690 -4.631 18154 6753 1 9 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.273 0.521 18154 6754 1 9 . 1 1 116 116 ALA C C 116 176.774 176.774 176.345 0.429 18154 6755 1 9 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.723 -1.033 18154 6756 1 9 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.473 0.892 18154 6757 1 9 . 1 1 116 116 ALA H H 116 7.813 7.813 7.580 0.233 18154 6758 1 9 . 1 1 117 117 GLN N N 117 118.000 118.000 118.829 -0.829 18154 6759 1 9 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.733 -0.115 18154 6760 1 9 . 1 1 117 117 GLN C C 117 173.769 173.769 174.842 -1.073 18154 6761 1 9 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.684 -0.128 18154 6762 1 9 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.937 -1.202 18154 6763 1 9 . 1 1 117 117 GLN H H 117 8.591 8.591 8.404 0.187 18154 6764 1 9 . 1 1 118 118 ARG N N 118 127.947 127.947 125.340 2.607 18154 6765 1 9 . 1 1 118 118 ARG HA H 118 3.308 3.308 3.140 0.168 18154 6766 1 9 . 1 1 118 118 ARG C C 118 176.758 176.758 175.984 0.774 18154 6767 1 9 . 1 1 118 118 ARG CA C 118 56.186 56.186 56.539 -0.353 18154 6768 1 9 . 1 1 118 118 ARG CB C 118 30.310 30.310 31.024 -0.714 18154 6769 1 9 . 1 1 118 118 ARG H H 118 8.659 8.659 8.854 -0.195 18154 6770 1 9 . 1 1 119 119 VAL N N 119 131.939 131.939 123.967 7.972 18154 6771 1 9 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.077 0.036 18154 6772 1 9 . 1 1 119 119 VAL C C 119 176.775 176.775 175.838 0.937 18154 6773 1 9 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.866 0.308 18154 6774 1 9 . 1 1 119 119 VAL CB C 119 32.394 32.394 32.825 -0.431 18154 6775 1 9 . 1 1 119 119 VAL H H 119 9.520 9.520 8.325 1.195 18154 6776 1 9 . 1 1 120 120 GLY N N 120 116.074 116.074 107.233 8.841 18154 6777 1 9 . 1 1 120 120 GLY C C 120 172.757 172.757 174.262 -1.505 18154 6778 1 9 . 1 1 120 120 GLY CA C 120 43.898 43.898 44.727 -0.829 18154 6779 1 9 . 1 1 120 120 GLY H H 120 8.755 8.755 8.248 0.507 18154 6780 1 9 . 1 1 121 121 GLU N N 121 118.754 118.754 119.986 -1.232 18154 6781 1 9 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.314 0.352 18154 6782 1 9 . 1 1 121 121 GLU C C 121 177.419 177.419 177.202 0.217 18154 6783 1 9 . 1 1 121 121 GLU CA C 121 54.491 54.491 57.500 -3.009 18154 6784 1 9 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.397 1.101 18154 6785 1 9 . 1 1 121 121 GLU H H 121 8.594 8.594 8.574 0.020 18154 6786 1 9 . 1 1 122 122 MET N N 122 122.642 122.642 120.199 2.443 18154 6787 1 9 . 1 1 122 122 MET HA H 122 4.415 4.415 5.031 -0.616 18154 6788 1 9 . 1 1 122 122 MET C C 122 175.351 175.351 175.050 0.301 18154 6789 1 9 . 1 1 122 122 MET CA C 122 57.024 57.024 54.734 2.290 18154 6790 1 9 . 1 1 122 122 MET CB C 122 34.210 34.210 33.638 0.572 18154 6791 1 9 . 1 1 122 122 MET H H 122 8.892 8.892 8.495 0.397 18154 6792 1 9 . 1 1 123 123 LEU N N 123 129.535 129.535 122.313 7.222 18154 6793 1 9 . 1 1 123 123 LEU HA H 123 4.350 4.350 3.946 0.404 18154 6794 1 9 . 1 1 123 123 LEU C C 123 173.124 173.124 174.587 -1.463 18154 6795 1 9 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.116 0.623 18154 6796 1 9 . 1 1 123 123 LEU CB C 123 41.078 41.078 43.042 -1.964 18154 6797 1 9 . 1 1 123 123 LEU H H 123 7.868 7.868 7.949 -0.081 18154 6798 1 9 . 1 1 124 124 LEU N N 124 127.120 127.120 125.284 1.836 18154 6799 1 9 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.608 0.447 18154 6800 1 9 . 1 1 124 124 LEU C C 124 176.379 176.379 176.079 0.300 18154 6801 1 9 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.035 0.515 18154 6802 1 9 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.497 -1.119 18154 6803 1 9 . 1 1 124 124 LEU H H 124 8.346 8.346 8.054 0.292 18154 6804 1 9 . 1 1 125 125 ILE N N 125 124.337 124.337 125.658 -1.321 18154 6805 1 9 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.212 -0.032 18154 6806 1 9 . 1 1 125 125 ILE C C 125 174.303 174.303 175.330 -1.027 18154 6807 1 9 . 1 1 125 125 ILE CA C 125 61.100 61.100 61.990 -0.890 18154 6808 1 9 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.084 -0.141 18154 6809 1 9 . 1 1 125 125 ILE H H 125 8.974 8.974 8.577 0.397 18154 6810 1 9 . 1 1 126 126 ASP N N 126 127.113 127.113 129.143 -2.030 18154 6811 1 9 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.508 -0.393 18154 6812 1 9 . 1 1 126 126 ASP C C 126 176.766 176.766 176.217 0.549 18154 6813 1 9 . 1 1 126 126 ASP CA C 126 51.847 51.847 54.166 -2.320 18154 6814 1 9 . 1 1 126 126 ASP CB C 126 41.100 41.100 40.590 0.510 18154 6815 1 9 . 1 1 126 126 ASP H H 126 9.397 9.397 8.941 0.456 18154 6816 1 9 . 1 1 127 127 ALA N N 127 131.178 131.178 130.471 0.707 18154 6817 1 9 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.616 -0.300 18154 6818 1 9 . 1 1 127 127 ALA C C 127 178.530 178.530 178.315 0.215 18154 6819 1 9 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.095 -0.248 18154 6820 1 9 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.244 -0.452 18154 6821 1 9 . 1 1 127 127 ALA H H 127 9.696 9.696 9.074 0.622 18154 6822 1 9 . 1 1 128 128 SER N N 128 112.064 112.064 112.925 -0.861 18154 6823 1 9 . 1 1 128 128 SER HA H 128 4.224 4.224 4.161 0.063 18154 6824 1 9 . 1 1 128 128 SER C C 128 175.000 175.000 175.680 -0.680 18154 6825 1 9 . 1 1 128 128 SER CA C 128 61.246 61.246 60.901 0.345 18154 6826 1 9 . 1 1 128 128 SER CB C 128 63.310 63.310 63.267 0.043 18154 6827 1 9 . 1 1 128 128 SER H H 128 8.373 8.373 8.393 -0.020 18154 6828 1 9 . 1 1 129 129 GLU N N 129 119.468 119.468 119.318 0.150 18154 6829 1 9 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.478 -0.078 18154 6830 1 9 . 1 1 129 129 GLU C C 129 175.947 175.947 176.097 -0.150 18154 6831 1 9 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.543 -0.128 18154 6832 1 9 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.566 0.164 18154 6833 1 9 . 1 1 129 129 GLU H H 129 7.267 7.267 7.617 -0.350 18154 6834 1 9 . 1 1 130 130 ASN N N 130 115.968 115.968 118.206 -2.238 18154 6835 1 9 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.120 0.046 18154 6836 1 9 . 1 1 130 130 ASN C C 130 172.000 172.000 173.825 -1.825 18154 6837 1 9 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.734 -0.511 18154 6838 1 9 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.826 -0.160 18154 6839 1 9 . 1 1 130 130 ASN H H 130 8.072 8.072 8.271 -0.199 18154 6840 1 9 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.506 0.044 18154 6841 1 9 . 1 1 131 131 PRO C C 131 176.400 176.400 176.129 0.271 18154 6842 1 9 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.726 -0.226 18154 6843 1 9 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.585 0.715 18154 6844 1 9 . 1 1 132 132 GLU N N 132 119.000 119.000 118.956 0.044 18154 6845 1 9 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.882 0.138 18154 6846 1 9 . 1 1 132 132 GLU C C 132 174.200 174.200 175.294 -1.094 18154 6847 1 9 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.045 -0.045 18154 6848 1 9 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.155 0.545 18154 6849 1 9 . 1 1 132 132 GLU H H 132 7.690 7.690 8.129 -0.439 18154 6850 1 9 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.228 -0.228 18154 6851 1 9 . 1 1 133 133 PRO C C 133 177.391 177.391 178.068 -0.677 18154 6852 1 9 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.228 0.241 18154 6853 1 9 . 1 1 133 133 PRO CB C 133 32.145 32.145 32.058 0.087 18154 6854 1 9 . 1 1 134 134 GLU N N 134 122.846 122.846 117.999 4.847 18154 6855 1 9 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.190 1.030 18154 6856 1 9 . 1 1 134 134 GLU C C 134 178.385 178.385 178.745 -0.360 18154 6857 1 9 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.372 -1.780 18154 6858 1 9 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.286 -1.696 18154 6859 1 9 . 1 1 134 134 GLU H H 134 10.707 10.707 8.847 1.860 18154 6860 1 9 . 1 1 135 135 THR N N 135 113.016 113.016 111.561 1.455 18154 6861 1 9 . 1 1 135 135 THR HA H 135 4.182 4.182 4.236 -0.054 18154 6862 1 9 . 1 1 135 135 THR C C 135 176.460 176.460 175.722 0.738 18154 6863 1 9 . 1 1 135 135 THR CA C 135 64.752 64.752 64.972 -0.220 18154 6864 1 9 . 1 1 135 135 THR CB C 135 69.248 69.248 68.774 0.474 18154 6865 1 9 . 1 1 135 135 THR H H 135 8.168 8.168 8.126 0.042 18154 6866 1 9 . 1 1 136 136 GLU N N 136 118.978 118.978 121.597 -2.619 18154 6867 1 9 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.399 0.165 18154 6868 1 9 . 1 1 136 136 GLU C C 136 178.370 178.370 178.674 -0.304 18154 6869 1 9 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.414 -1.501 18154 6870 1 9 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.589 1.511 18154 6871 1 9 . 1 1 136 136 GLU H H 136 7.680 7.680 7.598 0.082 18154 6872 1 9 . 1 1 137 137 SER N N 137 116.501 116.501 115.738 0.763 18154 6873 1 9 . 1 1 137 137 SER HA H 137 4.033 4.033 4.214 -0.181 18154 6874 1 9 . 1 1 137 137 SER C C 137 175.670 175.670 176.552 -0.882 18154 6875 1 9 . 1 1 137 137 SER CA C 137 62.330 62.330 61.893 0.437 18154 6876 1 9 . 1 1 137 137 SER CB C 137 61.380 61.380 63.105 -1.725 18154 6877 1 9 . 1 1 137 137 SER H H 137 8.824 8.824 8.373 0.451 18154 6878 1 9 . 1 1 138 138 ASN N N 138 123.517 123.517 121.268 2.249 18154 6879 1 9 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.692 -0.101 18154 6880 1 9 . 1 1 138 138 ASN C C 138 175.700 175.700 175.384 0.316 18154 6881 1 9 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.753 -0.267 18154 6882 1 9 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.072 -2.819 18154 6883 1 9 . 1 1 138 138 ASN H H 138 8.564 8.564 8.386 0.178 18154 6884 1 9 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.339 0.116 18154 6885 1 9 . 1 1 139 139 PRO C C 139 180.033 180.033 178.411 1.622 18154 6886 1 9 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.490 0.120 18154 6887 1 9 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.297 -0.761 18154 6888 1 9 . 1 1 140 140 TRP N N 140 119.700 119.700 120.299 -0.599 18154 6889 1 9 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.559 -0.226 18154 6890 1 9 . 1 1 140 140 TRP C C 140 179.195 179.195 178.142 1.053 18154 6891 1 9 . 1 1 140 140 TRP CA C 140 62.180 62.180 60.398 1.782 18154 6892 1 9 . 1 1 140 140 TRP CB C 140 30.751 30.751 30.051 0.700 18154 6893 1 9 . 1 1 140 140 TRP H H 140 7.057 7.057 7.333 -0.276 18154 6894 1 9 . 1 1 141 141 VAL N N 141 122.879 122.879 119.655 3.224 18154 6895 1 9 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.681 0.055 18154 6896 1 9 . 1 1 141 141 VAL C C 141 177.416 177.416 178.343 -0.927 18154 6897 1 9 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.270 -0.554 18154 6898 1 9 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.550 -0.118 18154 6899 1 9 . 1 1 141 141 VAL H H 141 9.629 9.629 8.865 0.764 18154 6900 1 9 . 1 1 142 142 GLU N N 142 119.965 119.965 119.454 0.511 18154 6901 1 9 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.989 -0.257 18154 6902 1 9 . 1 1 142 142 GLU C C 142 178.800 178.800 178.733 0.067 18154 6903 1 9 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.185 0.147 18154 6904 1 9 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.248 0.312 18154 6905 1 9 . 1 1 142 142 GLU H H 142 8.551 8.551 8.127 0.424 18154 6906 1 9 . 1 1 143 143 GLN N N 143 115.364 115.364 120.202 -4.838 18154 6907 1 9 . 1 1 143 143 GLN HA H 143 4.290 4.290 3.992 0.298 18154 6908 1 9 . 1 1 143 143 GLN C C 143 177.840 177.840 177.917 -0.077 18154 6909 1 9 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.859 0.504 18154 6910 1 9 . 1 1 143 143 GLN CB C 143 29.362 29.362 28.617 0.745 18154 6911 1 9 . 1 1 143 143 GLN H H 143 7.380 7.380 8.035 -0.655 18154 6912 1 9 . 1 1 144 144 TRP N N 144 126.680 126.680 122.299 4.381 18154 6913 1 9 . 1 1 144 144 TRP HA H 144 3.334 3.334 4.169 -0.835 18154 6914 1 9 . 1 1 144 144 TRP C C 144 178.200 178.200 178.726 -0.526 18154 6915 1 9 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.840 2.120 18154 6916 1 9 . 1 1 144 144 TRP CB C 144 28.525 28.525 29.113 -0.588 18154 6917 1 9 . 1 1 144 144 TRP H H 144 9.215 9.215 8.729 0.486 18154 6918 1 9 . 1 1 145 145 GLY N N 145 100.130 100.130 105.533 -5.403 18154 6919 1 9 . 1 1 145 145 GLY C C 145 177.391 177.391 175.821 1.570 18154 6920 1 9 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.310 -0.551 18154 6921 1 9 . 1 1 145 145 GLY H H 145 8.834 8.834 8.885 -0.051 18154 6922 1 9 . 1 1 146 146 THR N N 146 110.831 110.831 114.516 -3.685 18154 6923 1 9 . 1 1 146 146 THR HA H 146 4.319 4.319 4.109 0.210 18154 6924 1 9 . 1 1 146 146 THR C C 146 175.574 175.574 175.290 0.284 18154 6925 1 9 . 1 1 146 146 THR CA C 146 63.260 63.260 64.499 -1.239 18154 6926 1 9 . 1 1 146 146 THR CB C 146 69.660 69.660 68.323 1.337 18154 6927 1 9 . 1 1 146 146 THR H H 146 7.594 7.594 7.721 -0.127 18154 6928 1 9 . 1 1 147 147 LEU N N 147 120.678 120.678 120.068 0.610 18154 6929 1 9 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.131 -0.073 18154 6930 1 9 . 1 1 147 147 LEU C C 147 177.176 177.176 177.014 0.162 18154 6931 1 9 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.338 -1.024 18154 6932 1 9 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.370 -0.142 18154 6933 1 9 . 1 1 147 147 LEU H H 147 7.458 7.458 7.523 -0.065 18154 6934 1 9 . 1 1 148 148 LEU N N 148 117.062 117.062 118.727 -1.665 18154 6935 1 9 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.578 0.140 18154 6936 1 9 . 1 1 148 148 LEU C C 148 175.570 175.570 177.388 -1.818 18154 6937 1 9 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.336 -0.385 18154 6938 1 9 . 1 1 148 148 LEU CB C 148 39.600 39.600 40.850 -1.250 18154 6939 1 9 . 1 1 148 148 LEU H H 148 6.482 6.482 6.953 -0.471 18154 6940 1 10 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.662 -0.433 18154 6941 1 10 . 1 1 2 2 ALA C C 2 173.315 173.315 175.830 -2.515 18154 6942 1 10 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.850 -0.270 18154 6943 1 10 . 1 1 2 2 ALA CB C 2 20.223 20.223 19.979 0.244 18154 6944 1 10 . 1 1 3 3 GLU N N 3 121.874 121.874 120.194 1.680 18154 6945 1 10 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.522 -0.248 18154 6946 1 10 . 1 1 3 3 GLU C C 3 174.545 174.545 175.548 -1.003 18154 6947 1 10 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.523 0.327 18154 6948 1 10 . 1 1 3 3 GLU CB C 3 31.720 31.720 31.965 -0.246 18154 6949 1 10 . 1 1 3 3 GLU H H 3 8.696 8.696 8.799 -0.103 18154 6950 1 10 . 1 1 4 4 ILE N N 4 120.672 120.672 125.372 -4.700 18154 6951 1 10 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.662 0.447 18154 6952 1 10 . 1 1 4 4 ILE C C 4 175.463 175.463 174.709 0.754 18154 6953 1 10 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.055 -0.222 18154 6954 1 10 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.704 2.966 18154 6955 1 10 . 1 1 4 4 ILE H H 4 8.860 8.860 9.218 -0.358 18154 6956 1 10 . 1 1 5 5 GLY N N 5 119.310 119.310 114.428 4.882 18154 6957 1 10 . 1 1 5 5 GLY C C 5 171.260 171.260 172.787 -1.527 18154 6958 1 10 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.255 0.565 18154 6959 1 10 . 1 1 5 5 GLY H H 5 8.469 8.469 7.883 0.586 18154 6960 1 10 . 1 1 6 6 ILE N N 6 126.915 126.915 125.855 1.060 18154 6961 1 10 . 1 1 6 6 ILE HA H 6 5.190 5.190 4.872 0.318 18154 6962 1 10 . 1 1 6 6 ILE C C 6 173.901 173.901 174.433 -0.532 18154 6963 1 10 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.655 -0.655 18154 6964 1 10 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.551 -1.551 18154 6965 1 10 . 1 1 6 6 ILE H H 6 9.056 9.056 9.119 -0.063 18154 6966 1 10 . 1 1 7 7 PHE N N 7 127.354 127.354 127.662 -0.308 18154 6967 1 10 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.035 -0.523 18154 6968 1 10 . 1 1 7 7 PHE C C 7 174.230 174.230 174.864 -0.634 18154 6969 1 10 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.619 1.791 18154 6970 1 10 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.399 1.329 18154 6971 1 10 . 1 1 7 7 PHE H H 7 8.960 8.960 9.428 -0.468 18154 6972 1 10 . 1 1 8 8 VAL HA H 8 5.060 5.060 4.628 0.432 18154 6973 1 10 . 1 1 8 8 VAL C C 8 175.450 175.450 175.491 -0.041 18154 6974 1 10 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.808 0.392 18154 6975 1 10 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.603 0.834 18154 6976 1 10 . 1 1 9 9 GLY N N 9 115.000 115.000 115.698 -0.698 18154 6977 1 10 . 1 1 9 9 GLY C C 9 173.150 173.150 173.328 -0.178 18154 6978 1 10 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.466 0.534 18154 6979 1 10 . 1 1 9 9 GLY H H 9 9.393 9.393 8.996 0.397 18154 6980 1 10 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.353 0.342 18154 6981 1 10 . 1 1 12 12 TYR C C 12 176.560 176.560 177.209 -0.649 18154 6982 1 10 . 1 1 12 12 TYR CA C 12 57.750 57.750 59.872 -2.122 18154 6983 1 10 . 1 1 12 12 TYR CB C 12 38.000 38.000 37.670 0.330 18154 6984 1 10 . 1 1 13 13 GLY N N 13 109.870 109.870 105.437 4.433 18154 6985 1 10 . 1 1 13 13 GLY C C 13 175.930 175.930 173.995 1.935 18154 6986 1 10 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.693 1.307 18154 6987 1 10 . 1 1 13 13 GLY H H 13 8.500 8.500 8.113 0.387 18154 6988 1 10 . 1 1 17 17 LEU HA H 17 4.230 4.230 3.895 0.335 18154 6989 1 10 . 1 1 17 17 LEU C C 17 179.210 179.210 178.267 0.943 18154 6990 1 10 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.978 0.422 18154 6991 1 10 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.306 -0.006 18154 6992 1 10 . 1 1 18 18 VAL N N 18 117.231 117.231 117.281 -0.050 18154 6993 1 10 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.622 -0.299 18154 6994 1 10 . 1 1 18 18 VAL C C 18 178.460 178.460 177.890 0.570 18154 6995 1 10 . 1 1 18 18 VAL CA C 18 66.866 66.866 65.378 1.488 18154 6996 1 10 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.542 0.918 18154 6997 1 10 . 1 1 18 18 VAL H H 18 7.645 7.645 8.118 -0.473 18154 6998 1 10 . 1 1 19 19 ALA N N 19 121.820 121.820 122.345 -0.525 18154 6999 1 10 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.959 -0.143 18154 7000 1 10 . 1 1 19 19 ALA C C 19 178.180 178.180 179.518 -1.338 18154 7001 1 10 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.797 -0.221 18154 7002 1 10 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.112 1.888 18154 7003 1 10 . 1 1 19 19 ALA H H 19 8.010 8.010 8.259 -0.249 18154 7004 1 10 . 1 1 20 20 GLU N N 20 118.960 118.960 118.215 0.745 18154 7005 1 10 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.008 0.008 18154 7006 1 10 . 1 1 20 20 GLU C C 20 180.950 180.950 179.486 1.464 18154 7007 1 10 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.314 0.352 18154 7008 1 10 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.058 0.242 18154 7009 1 10 . 1 1 20 20 GLU H H 20 8.700 8.700 7.909 0.791 18154 7010 1 10 . 1 1 21 21 GLU N N 21 121.371 121.371 119.482 1.889 18154 7011 1 10 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.093 -0.049 18154 7012 1 10 . 1 1 21 21 GLU C C 21 179.419 179.419 178.858 0.561 18154 7013 1 10 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.164 0.146 18154 7014 1 10 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.316 0.245 18154 7015 1 10 . 1 1 21 21 GLU H H 21 8.632 8.632 7.849 0.783 18154 7016 1 10 . 1 1 22 22 ALA N N 22 121.329 121.329 122.940 -1.611 18154 7017 1 10 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.058 0.000 18154 7018 1 10 . 1 1 22 22 ALA C C 22 178.823 178.823 179.383 -0.560 18154 7019 1 10 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.634 -0.957 18154 7020 1 10 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.127 -0.483 18154 7021 1 10 . 1 1 22 22 ALA H H 22 8.182 8.182 8.593 -0.411 18154 7022 1 10 . 1 1 23 23 GLU N N 23 119.035 119.035 119.200 -0.165 18154 7023 1 10 . 1 1 23 23 GLU HA H 23 3.404 3.404 3.992 -0.588 18154 7024 1 10 . 1 1 23 23 GLU C C 23 178.375 178.375 178.650 -0.275 18154 7025 1 10 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.638 0.670 18154 7026 1 10 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.630 -0.700 18154 7027 1 10 . 1 1 23 23 GLU H H 23 8.387 8.387 8.415 -0.028 18154 7028 1 10 . 1 1 24 24 ALA N N 24 122.207 122.207 122.175 0.032 18154 7029 1 10 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.087 -0.057 18154 7030 1 10 . 1 1 24 24 ALA C C 24 181.132 181.132 179.867 1.265 18154 7031 1 10 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.124 0.362 18154 7032 1 10 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.614 -0.615 18154 7033 1 10 . 1 1 24 24 ALA H H 24 7.535 7.535 7.821 -0.286 18154 7034 1 10 . 1 1 25 25 ILE N N 25 121.059 121.059 120.091 0.968 18154 7035 1 10 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.707 -0.043 18154 7036 1 10 . 1 1 25 25 ILE C C 25 178.419 178.419 177.902 0.517 18154 7037 1 10 . 1 1 25 25 ILE CA C 25 65.108 65.108 65.992 -0.883 18154 7038 1 10 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.137 0.826 18154 7039 1 10 . 1 1 25 25 ILE H H 25 7.800 7.800 8.537 -0.737 18154 7040 1 10 . 1 1 26 26 LEU N N 26 119.307 119.307 120.612 -1.305 18154 7041 1 10 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.076 0.100 18154 7042 1 10 . 1 1 26 26 LEU C C 26 179.863 179.863 179.574 0.289 18154 7043 1 10 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.338 -0.392 18154 7044 1 10 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.248 -0.108 18154 7045 1 10 . 1 1 26 26 LEU H H 26 8.509 8.509 8.600 -0.091 18154 7046 1 10 . 1 1 27 27 THR N N 27 117.830 117.830 115.813 2.017 18154 7047 1 10 . 1 1 27 27 THR HA H 27 4.524 4.524 4.263 0.261 18154 7048 1 10 . 1 1 27 27 THR C C 27 179.027 179.027 176.354 2.673 18154 7049 1 10 . 1 1 27 27 THR CA C 27 66.000 66.000 66.455 -0.455 18154 7050 1 10 . 1 1 27 27 THR CB C 27 68.600 68.600 68.838 -0.238 18154 7051 1 10 . 1 1 27 27 THR H H 27 8.796 8.796 8.470 0.326 18154 7052 1 10 . 1 1 28 28 ALA N N 28 126.313 126.313 122.288 4.025 18154 7053 1 10 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.132 0.073 18154 7054 1 10 . 1 1 28 28 ALA C C 28 179.360 179.360 179.523 -0.163 18154 7055 1 10 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.241 0.759 18154 7056 1 10 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.268 -0.618 18154 7057 1 10 . 1 1 28 28 ALA H H 28 7.832 7.832 7.819 0.013 18154 7058 1 10 . 1 1 29 29 GLN N N 29 115.527 115.527 116.450 -0.923 18154 7059 1 10 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.135 -0.008 18154 7060 1 10 . 1 1 29 29 GLN C C 29 176.547 176.547 176.979 -0.432 18154 7061 1 10 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.772 -0.209 18154 7062 1 10 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.577 -0.167 18154 7063 1 10 . 1 1 29 29 GLN H H 29 7.353 7.353 8.255 -0.902 18154 7064 1 10 . 1 1 30 30 GLY N N 30 105.961 105.961 105.496 0.465 18154 7065 1 10 . 1 1 30 30 GLY C C 30 174.785 174.785 173.678 1.107 18154 7066 1 10 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.596 -0.096 18154 7067 1 10 . 1 1 30 30 GLY H H 30 7.923 7.923 7.631 0.292 18154 7068 1 10 . 1 1 31 31 HIS N N 31 119.471 119.471 117.869 1.602 18154 7069 1 10 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.756 0.079 18154 7070 1 10 . 1 1 31 31 HIS C C 31 174.665 174.665 173.852 0.813 18154 7071 1 10 . 1 1 31 31 HIS CA C 31 55.842 55.842 55.103 0.739 18154 7072 1 10 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.950 0.051 18154 7073 1 10 . 1 1 31 31 HIS H H 31 7.558 7.558 8.019 -0.461 18154 7074 1 10 . 1 1 32 32 LYS N N 32 121.854 121.854 120.878 0.976 18154 7075 1 10 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.536 0.187 18154 7076 1 10 . 1 1 32 32 LYS C C 32 174.466 174.466 174.386 0.080 18154 7077 1 10 . 1 1 32 32 LYS CA C 32 54.865 54.865 55.568 -0.703 18154 7078 1 10 . 1 1 32 32 LYS CB C 32 32.960 32.960 33.210 -0.250 18154 7079 1 10 . 1 1 32 32 LYS H H 32 8.665 8.665 8.935 -0.270 18154 7080 1 10 . 1 1 33 33 ALA N N 33 130.188 130.188 129.907 0.281 18154 7081 1 10 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.664 0.154 18154 7082 1 10 . 1 1 33 33 ALA C C 33 175.567 175.567 176.403 -0.836 18154 7083 1 10 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.627 -0.651 18154 7084 1 10 . 1 1 33 33 ALA CB C 33 22.297 22.297 22.185 0.112 18154 7085 1 10 . 1 1 33 33 ALA H H 33 8.837 8.837 7.981 0.856 18154 7086 1 10 . 1 1 34 34 THR N N 34 117.164 117.164 117.278 -0.114 18154 7087 1 10 . 1 1 34 34 THR HA H 34 4.359 4.359 4.795 -0.436 18154 7088 1 10 . 1 1 34 34 THR C C 34 171.315 171.315 173.577 -2.262 18154 7089 1 10 . 1 1 34 34 THR CA C 34 61.840 61.840 60.882 0.958 18154 7090 1 10 . 1 1 34 34 THR CB C 34 71.800 71.800 72.297 -0.497 18154 7091 1 10 . 1 1 34 34 THR H H 34 7.826 7.826 8.685 -0.859 18154 7092 1 10 . 1 1 35 35 VAL N N 35 126.650 126.650 124.451 2.199 18154 7093 1 10 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.270 -0.087 18154 7094 1 10 . 1 1 35 35 VAL C C 35 174.675 174.675 175.173 -0.498 18154 7095 1 10 . 1 1 35 35 VAL CA C 35 61.928 61.928 62.038 -0.110 18154 7096 1 10 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.562 0.088 18154 7097 1 10 . 1 1 35 35 VAL H H 35 8.496 8.496 8.675 -0.179 18154 7098 1 10 . 1 1 36 36 PHE N N 36 127.630 127.630 127.175 0.455 18154 7099 1 10 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.701 -0.150 18154 7100 1 10 . 1 1 36 36 PHE C C 36 174.347 174.347 174.512 -0.165 18154 7101 1 10 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.577 0.905 18154 7102 1 10 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.158 0.007 18154 7103 1 10 . 1 1 36 36 PHE H H 36 9.164 9.164 9.173 -0.009 18154 7104 1 10 . 1 1 37 37 GLU N N 37 123.516 123.516 124.624 -1.108 18154 7105 1 10 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.417 0.053 18154 7106 1 10 . 1 1 37 37 GLU C C 37 175.954 175.954 176.163 -0.209 18154 7107 1 10 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.313 -0.594 18154 7108 1 10 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.836 0.624 18154 7109 1 10 . 1 1 37 37 GLU H H 37 8.455 8.455 8.621 -0.166 18154 7110 1 10 . 1 1 38 38 ASP N N 38 120.395 120.395 121.277 -0.882 18154 7111 1 10 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.484 0.349 18154 7112 1 10 . 1 1 38 38 ASP C C 38 173.920 173.920 174.431 -0.511 18154 7113 1 10 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.031 0.446 18154 7114 1 10 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.563 0.041 18154 7115 1 10 . 1 1 38 38 ASP H H 38 9.602 9.602 8.733 0.869 18154 7116 1 10 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.477 0.203 18154 7117 1 10 . 1 1 39 39 PRO C C 39 176.274 176.274 176.458 -0.184 18154 7118 1 10 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.517 -0.533 18154 7119 1 10 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.592 1.808 18154 7120 1 10 . 1 1 40 40 GLU N N 40 119.026 119.026 122.954 -3.928 18154 7121 1 10 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.512 0.216 18154 7122 1 10 . 1 1 40 40 GLU C C 40 177.827 177.827 177.679 0.148 18154 7123 1 10 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.721 -0.751 18154 7124 1 10 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.342 2.058 18154 7125 1 10 . 1 1 40 40 GLU H H 40 9.178 9.178 8.859 0.319 18154 7126 1 10 . 1 1 41 41 LEU N N 41 123.708 123.708 124.059 -0.351 18154 7127 1 10 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.295 -0.401 18154 7128 1 10 . 1 1 41 41 LEU C C 41 178.730 178.730 177.911 0.819 18154 7129 1 10 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.058 1.349 18154 7130 1 10 . 1 1 41 41 LEU CB C 41 41.653 41.653 42.034 -0.381 18154 7131 1 10 . 1 1 41 41 LEU H H 41 9.160 9.160 8.583 0.577 18154 7132 1 10 . 1 1 42 42 SER N N 42 110.500 110.500 115.547 -5.047 18154 7133 1 10 . 1 1 42 42 SER HA H 42 4.010 4.010 4.265 -0.255 18154 7134 1 10 . 1 1 42 42 SER C C 42 176.300 176.300 175.184 1.116 18154 7135 1 10 . 1 1 42 42 SER CA C 42 61.600 61.600 61.114 0.486 18154 7136 1 10 . 1 1 42 42 SER CB C 42 62.140 62.140 62.936 -0.796 18154 7137 1 10 . 1 1 42 42 SER H H 42 8.415 8.415 8.044 0.371 18154 7138 1 10 . 1 1 43 43 ASP N N 43 119.770 119.770 120.357 -0.587 18154 7139 1 10 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.694 -0.237 18154 7140 1 10 . 1 1 43 43 ASP C C 43 176.150 176.150 176.335 -0.185 18154 7141 1 10 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.513 1.237 18154 7142 1 10 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.808 1.892 18154 7143 1 10 . 1 1 43 43 ASP H H 43 7.690 7.690 7.667 0.023 18154 7144 1 10 . 1 1 44 44 TRP N N 44 118.500 118.500 121.477 -2.977 18154 7145 1 10 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.311 -0.101 18154 7146 1 10 . 1 1 44 44 TRP C C 44 177.150 177.150 177.524 -0.374 18154 7147 1 10 . 1 1 44 44 TRP CA C 44 59.387 59.387 59.304 0.083 18154 7148 1 10 . 1 1 44 44 TRP CB C 44 30.310 30.310 29.748 0.562 18154 7149 1 10 . 1 1 44 44 TRP H H 44 7.464 7.464 7.310 0.154 18154 7150 1 10 . 1 1 45 45 LEU N N 45 114.100 114.100 121.169 -7.069 18154 7151 1 10 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.035 0.140 18154 7152 1 10 . 1 1 45 45 LEU C C 45 176.300 176.300 176.017 0.283 18154 7153 1 10 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.415 -0.855 18154 7154 1 10 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.370 -0.150 18154 7155 1 10 . 1 1 45 45 LEU H H 45 7.550 7.550 8.753 -1.203 18154 7156 1 10 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.203 0.177 18154 7157 1 10 . 1 1 46 46 PRO C C 46 176.799 176.799 177.394 -0.595 18154 7158 1 10 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.454 0.833 18154 7159 1 10 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.081 0.519 18154 7160 1 10 . 1 1 47 47 TYR N N 47 113.790 113.790 117.282 -3.492 18154 7161 1 10 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.583 -0.463 18154 7162 1 10 . 1 1 47 47 TYR C C 47 175.730 175.730 178.237 -2.507 18154 7163 1 10 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.370 1.830 18154 7164 1 10 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.531 0.485 18154 7165 1 10 . 1 1 47 47 TYR H H 47 8.291 8.291 8.112 0.179 18154 7166 1 10 . 1 1 48 48 GLN N N 48 116.524 116.524 120.741 -4.217 18154 7167 1 10 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.973 -0.088 18154 7168 1 10 . 1 1 48 48 GLN C C 48 174.381 174.381 176.564 -2.183 18154 7169 1 10 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.438 0.388 18154 7170 1 10 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.936 2.064 18154 7171 1 10 . 1 1 48 48 GLN H H 48 7.300 7.300 7.523 -0.223 18154 7172 1 10 . 1 1 49 49 ASP N N 49 114.657 114.657 114.129 0.528 18154 7173 1 10 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.635 0.052 18154 7174 1 10 . 1 1 49 49 ASP C C 49 176.307 176.307 175.861 0.446 18154 7175 1 10 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.852 -2.117 18154 7176 1 10 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.185 -0.985 18154 7177 1 10 . 1 1 49 49 ASP H H 49 7.854 7.854 8.444 -0.590 18154 7178 1 10 . 1 1 50 50 LYS N N 50 123.514 123.514 118.926 4.588 18154 7179 1 10 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.601 -0.011 18154 7180 1 10 . 1 1 50 50 LYS C C 50 172.964 172.964 175.379 -2.415 18154 7181 1 10 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.615 -0.922 18154 7182 1 10 . 1 1 50 50 LYS CB C 50 33.355 33.355 35.338 -1.983 18154 7183 1 10 . 1 1 50 50 LYS H H 50 7.833 7.833 7.304 0.529 18154 7184 1 10 . 1 1 51 51 TYR N N 51 118.375 118.375 115.606 2.769 18154 7185 1 10 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.607 0.448 18154 7186 1 10 . 1 1 51 51 TYR C C 51 175.875 175.875 175.877 -0.002 18154 7187 1 10 . 1 1 51 51 TYR CA C 51 56.421 56.421 56.983 -0.562 18154 7188 1 10 . 1 1 51 51 TYR CB C 51 42.477 42.477 42.081 0.396 18154 7189 1 10 . 1 1 51 51 TYR H H 51 7.745 7.745 8.353 -0.608 18154 7190 1 10 . 1 1 52 52 VAL N N 52 112.527 112.527 115.323 -2.796 18154 7191 1 10 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.897 0.603 18154 7192 1 10 . 1 1 52 52 VAL C C 52 173.910 173.910 174.052 -0.142 18154 7193 1 10 . 1 1 52 52 VAL CA C 52 58.696 58.696 61.047 -2.351 18154 7194 1 10 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.307 1.185 18154 7195 1 10 . 1 1 52 52 VAL H H 52 8.673 8.673 8.531 0.142 18154 7196 1 10 . 1 1 53 53 LEU N N 53 124.294 124.294 123.523 0.771 18154 7197 1 10 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.225 -0.325 18154 7198 1 10 . 1 1 53 53 LEU C C 53 175.070 175.070 174.461 0.609 18154 7199 1 10 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.317 -0.751 18154 7200 1 10 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.795 -1.565 18154 7201 1 10 . 1 1 53 53 LEU H H 53 9.137 9.137 9.124 0.013 18154 7202 1 10 . 1 1 54 54 VAL N N 54 127.850 127.850 125.364 2.486 18154 7203 1 10 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.849 -0.339 18154 7204 1 10 . 1 1 54 54 VAL C C 54 174.030 174.030 174.145 -0.115 18154 7205 1 10 . 1 1 54 54 VAL CA C 54 61.825 61.825 60.526 1.299 18154 7206 1 10 . 1 1 54 54 VAL CB C 54 32.691 32.691 34.311 -1.620 18154 7207 1 10 . 1 1 54 54 VAL H H 54 8.619 8.619 8.351 0.268 18154 7208 1 10 . 1 1 55 55 VAL N N 55 127.181 127.181 127.541 -0.360 18154 7209 1 10 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.979 0.106 18154 7210 1 10 . 1 1 55 55 VAL C C 55 174.942 174.942 174.691 0.251 18154 7211 1 10 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.506 -0.437 18154 7212 1 10 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.737 -0.515 18154 7213 1 10 . 1 1 55 55 VAL H H 55 8.578 8.578 8.530 0.048 18154 7214 1 10 . 1 1 56 56 THR N N 56 117.420 117.420 121.961 -4.541 18154 7215 1 10 . 1 1 56 56 THR HA H 56 5.590 5.590 4.583 1.007 18154 7216 1 10 . 1 1 56 56 THR C C 56 172.640 172.640 172.162 0.478 18154 7217 1 10 . 1 1 56 56 THR CA C 56 59.359 59.359 61.197 -1.838 18154 7218 1 10 . 1 1 56 56 THR CB C 56 70.715 70.715 70.790 -0.075 18154 7219 1 10 . 1 1 56 56 THR H H 56 8.710 8.710 8.835 -0.125 18154 7220 1 10 . 1 1 57 57 SER HA H 57 5.250 5.250 4.990 0.260 18154 7221 1 10 . 1 1 57 57 SER CA C 57 57.730 57.730 57.087 0.644 18154 7222 1 10 . 1 1 57 57 SER CB C 57 64.500 64.500 65.602 -1.102 18154 7223 1 10 . 1 1 57 57 SER H H 57 8.075 8.075 8.181 -0.106 18154 7224 1 10 . 1 1 58 58 THR H H 58 7.900 7.900 8.796 -0.896 18154 7225 1 10 . 1 1 59 59 THR HA H 59 4.900 4.900 4.050 0.850 18154 7226 1 10 . 1 1 59 59 THR CA C 59 61.200 61.200 64.681 -3.481 18154 7227 1 10 . 1 1 59 59 THR CB C 59 73.400 73.400 69.439 3.961 18154 7228 1 10 . 1 1 59 59 THR H H 59 9.230 9.230 7.677 1.553 18154 7229 1 10 . 1 1 60 60 GLY CA C 60 46.500 46.500 44.731 1.769 18154 7230 1 10 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.152 0.254 18154 7231 1 10 . 1 1 61 61 GLN C C 61 175.950 175.950 175.918 0.032 18154 7232 1 10 . 1 1 61 61 GLN CA C 61 55.350 55.350 55.651 -0.301 18154 7233 1 10 . 1 1 61 61 GLN CB C 61 29.160 29.160 27.264 1.896 18154 7234 1 10 . 1 1 62 62 GLY N N 62 108.420 108.420 108.391 0.029 18154 7235 1 10 . 1 1 62 62 GLY C C 62 173.134 173.134 173.499 -0.365 18154 7236 1 10 . 1 1 62 62 GLY CA C 62 45.784 45.784 45.138 0.646 18154 7237 1 10 . 1 1 62 62 GLY H H 62 8.073 8.073 8.246 -0.173 18154 7238 1 10 . 1 1 63 63 ASP N N 63 118.400 118.400 118.778 -0.378 18154 7239 1 10 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.466 0.314 18154 7240 1 10 . 1 1 63 63 ASP CA C 63 53.296 53.296 53.569 -0.273 18154 7241 1 10 . 1 1 63 63 ASP CB C 63 42.740 42.740 41.827 0.913 18154 7242 1 10 . 1 1 63 63 ASP H H 63 7.248 7.248 8.095 -0.847 18154 7243 1 10 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.393 0.007 18154 7244 1 10 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.832 1.318 18154 7245 1 10 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.510 -0.823 18154 7246 1 10 . 1 1 64 64 LEU H H 64 8.445 8.445 8.134 0.311 18154 7247 1 10 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.449 -0.155 18154 7248 1 10 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.061 0.283 18154 7249 1 10 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.540 -0.060 18154 7250 1 10 . 1 1 66 66 ASP N N 66 121.200 121.200 121.326 -0.126 18154 7251 1 10 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.323 -0.063 18154 7252 1 10 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.490 1.140 18154 7253 1 10 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.879 -0.079 18154 7254 1 10 . 1 1 66 66 ASP H H 66 8.605 8.605 8.703 -0.098 18154 7255 1 10 . 1 1 67 67 SER HA H 67 4.292 4.292 4.283 0.009 18154 7256 1 10 . 1 1 67 67 SER C C 67 175.650 175.650 174.794 0.856 18154 7257 1 10 . 1 1 67 67 SER CA C 67 60.500 60.500 60.163 0.337 18154 7258 1 10 . 1 1 67 67 SER CB C 67 63.530 63.530 63.392 0.138 18154 7259 1 10 . 1 1 68 68 ILE N N 68 120.550 120.550 119.345 1.205 18154 7260 1 10 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.482 0.628 18154 7261 1 10 . 1 1 68 68 ILE C C 68 174.713 174.713 176.265 -1.552 18154 7262 1 10 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.398 0.002 18154 7263 1 10 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.851 3.389 18154 7264 1 10 . 1 1 68 68 ILE H H 68 7.870 7.870 7.670 0.200 18154 7265 1 10 . 1 1 69 69 VAL N N 69 125.740 125.740 123.525 2.215 18154 7266 1 10 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.753 -0.008 18154 7267 1 10 . 1 1 69 69 VAL C C 69 174.500 174.500 174.919 -0.419 18154 7268 1 10 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.139 -0.589 18154 7269 1 10 . 1 1 69 69 VAL CB C 69 30.130 30.130 28.718 1.412 18154 7270 1 10 . 1 1 69 69 VAL H H 69 7.428 7.428 8.068 -0.640 18154 7271 1 10 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.315 -0.023 18154 7272 1 10 . 1 1 70 70 PRO C C 70 180.820 180.820 179.025 1.795 18154 7273 1 10 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.027 0.443 18154 7274 1 10 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.289 -0.632 18154 7275 1 10 . 1 1 71 71 LEU N N 71 119.467 119.467 120.606 -1.139 18154 7276 1 10 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.041 -0.196 18154 7277 1 10 . 1 1 71 71 LEU C C 71 176.489 176.489 178.155 -1.666 18154 7278 1 10 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.985 0.222 18154 7279 1 10 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.623 -0.137 18154 7280 1 10 . 1 1 71 71 LEU H H 71 7.918 7.918 7.725 0.193 18154 7281 1 10 . 1 1 72 72 PHE N N 72 119.361 119.361 119.450 -0.089 18154 7282 1 10 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.373 -0.228 18154 7283 1 10 . 1 1 72 72 PHE C C 72 175.968 175.968 177.081 -1.113 18154 7284 1 10 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.726 0.095 18154 7285 1 10 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.699 0.848 18154 7286 1 10 . 1 1 72 72 PHE H H 72 7.903 7.903 8.714 -0.811 18154 7287 1 10 . 1 1 73 73 GLN N N 73 116.100 116.100 116.845 -0.745 18154 7288 1 10 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.742 -0.215 18154 7289 1 10 . 1 1 73 73 GLN C C 73 177.871 177.871 178.530 -0.659 18154 7290 1 10 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.924 -0.784 18154 7291 1 10 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.468 -0.321 18154 7292 1 10 . 1 1 73 73 GLN H H 73 9.042 9.042 8.488 0.554 18154 7293 1 10 . 1 1 74 74 GLY N N 74 107.110 107.110 108.601 -1.491 18154 7294 1 10 . 1 1 74 74 GLY C C 74 175.894 175.894 176.116 -0.222 18154 7295 1 10 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.954 0.326 18154 7296 1 10 . 1 1 74 74 GLY H H 74 8.045 8.045 8.175 -0.130 18154 7297 1 10 . 1 1 75 75 ILE N N 75 123.629 123.629 122.732 0.897 18154 7298 1 10 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.341 -0.291 18154 7299 1 10 . 1 1 75 75 ILE C C 75 178.622 178.622 177.128 1.494 18154 7300 1 10 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.907 0.350 18154 7301 1 10 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.396 0.572 18154 7302 1 10 . 1 1 75 75 ILE H H 75 8.174 8.174 8.118 0.056 18154 7303 1 10 . 1 1 76 76 LYS N N 76 119.363 119.363 118.663 0.700 18154 7304 1 10 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.750 -0.445 18154 7305 1 10 . 1 1 76 76 LYS C C 76 177.909 177.909 178.189 -0.280 18154 7306 1 10 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.287 0.418 18154 7307 1 10 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.888 0.462 18154 7308 1 10 . 1 1 76 76 LYS H H 76 7.600 7.600 7.356 0.244 18154 7309 1 10 . 1 1 77 77 ASP N N 77 115.190 115.190 117.994 -2.804 18154 7310 1 10 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.549 -0.067 18154 7311 1 10 . 1 1 77 77 ASP C C 77 178.825 178.825 178.210 0.615 18154 7312 1 10 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.148 0.133 18154 7313 1 10 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.797 -0.607 18154 7314 1 10 . 1 1 77 77 ASP H H 77 8.482 8.482 8.254 0.228 18154 7315 1 10 . 1 1 78 78 SER N N 78 112.576 112.576 116.003 -3.427 18154 7316 1 10 . 1 1 78 78 SER HA H 78 4.728 4.728 4.405 0.323 18154 7317 1 10 . 1 1 78 78 SER C C 78 174.556 174.556 174.905 -0.349 18154 7318 1 10 . 1 1 78 78 SER CA C 78 60.045 60.045 60.444 -0.399 18154 7319 1 10 . 1 1 78 78 SER CB C 78 64.643 64.643 64.011 0.632 18154 7320 1 10 . 1 1 78 78 SER H H 78 8.273 8.273 8.039 0.234 18154 7321 1 10 . 1 1 79 79 LEU N N 79 120.833 120.833 121.181 -0.348 18154 7322 1 10 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.403 0.412 18154 7323 1 10 . 1 1 79 79 LEU C C 79 176.251 176.251 178.699 -2.448 18154 7324 1 10 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.319 -2.359 18154 7325 1 10 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.320 -3.124 18154 7326 1 10 . 1 1 79 79 LEU H H 79 7.025 7.025 7.609 -0.584 18154 7327 1 10 . 1 1 80 80 GLY N N 80 108.861 108.861 107.007 1.854 18154 7328 1 10 . 1 1 80 80 GLY C C 80 173.623 173.623 173.680 -0.057 18154 7329 1 10 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.416 -0.187 18154 7330 1 10 . 1 1 80 80 GLY H H 80 7.499 7.499 8.152 -0.653 18154 7331 1 10 . 1 1 81 81 PHE N N 81 121.441 121.441 119.454 1.987 18154 7332 1 10 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.663 0.397 18154 7333 1 10 . 1 1 81 81 PHE C C 81 174.411 174.411 172.454 1.957 18154 7334 1 10 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.333 -0.122 18154 7335 1 10 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.856 -1.236 18154 7336 1 10 . 1 1 81 81 PHE H H 81 8.018 8.018 7.298 0.720 18154 7337 1 10 . 1 1 82 82 GLN N N 82 126.480 126.480 121.308 5.172 18154 7338 1 10 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.698 0.192 18154 7339 1 10 . 1 1 82 82 GLN C C 82 172.700 172.700 173.563 -0.863 18154 7340 1 10 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.535 1.642 18154 7341 1 10 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.601 1.999 18154 7342 1 10 . 1 1 82 82 GLN H H 82 9.588 9.588 7.486 2.102 18154 7343 1 10 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.358 0.015 18154 7344 1 10 . 1 1 83 83 PRO C C 83 178.163 178.163 176.628 1.535 18154 7345 1 10 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.412 -0.721 18154 7346 1 10 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.664 -0.799 18154 7347 1 10 . 1 1 84 84 ASN N N 84 116.900 116.900 115.621 1.279 18154 7348 1 10 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.759 0.010 18154 7349 1 10 . 1 1 84 84 ASN C C 84 173.332 173.332 173.544 -0.212 18154 7350 1 10 . 1 1 84 84 ASN CA C 84 52.560 52.560 53.150 -0.590 18154 7351 1 10 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.006 -0.746 18154 7352 1 10 . 1 1 84 84 ASN H H 84 8.578 8.578 7.801 0.777 18154 7353 1 10 . 1 1 85 85 LEU N N 85 124.380 124.380 122.177 2.203 18154 7354 1 10 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.178 -0.132 18154 7355 1 10 . 1 1 85 85 LEU C C 85 175.880 175.880 175.794 0.086 18154 7356 1 10 . 1 1 85 85 LEU CA C 85 55.842 55.842 55.053 0.789 18154 7357 1 10 . 1 1 85 85 LEU CB C 85 42.300 42.300 42.963 -0.663 18154 7358 1 10 . 1 1 85 85 LEU H H 85 7.240 7.240 7.570 -0.330 18154 7359 1 10 . 1 1 86 86 ARG N N 86 128.715 128.715 124.228 4.487 18154 7360 1 10 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.192 0.602 18154 7361 1 10 . 1 1 86 86 ARG C C 86 175.554 175.554 174.838 0.716 18154 7362 1 10 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.462 0.981 18154 7363 1 10 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.965 -1.092 18154 7364 1 10 . 1 1 86 86 ARG H H 86 7.732 7.732 7.897 -0.165 18154 7365 1 10 . 1 1 87 87 TYR N N 87 117.420 117.420 120.394 -2.974 18154 7366 1 10 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.638 1.127 18154 7367 1 10 . 1 1 87 87 TYR C C 87 172.931 172.931 173.186 -0.255 18154 7368 1 10 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.288 -1.027 18154 7369 1 10 . 1 1 87 87 TYR CB C 87 44.938 44.938 42.093 2.845 18154 7370 1 10 . 1 1 87 87 TYR H H 87 8.783 8.783 8.226 0.557 18154 7371 1 10 . 1 1 88 88 GLY N N 88 107.765 107.765 105.416 2.349 18154 7372 1 10 . 1 1 88 88 GLY C C 88 172.621 172.621 170.764 1.857 18154 7373 1 10 . 1 1 88 88 GLY CA C 88 43.861 43.861 42.667 1.194 18154 7374 1 10 . 1 1 88 88 GLY H H 88 8.905 8.905 8.449 0.456 18154 7375 1 10 . 1 1 89 89 VAL N N 89 118.180 118.180 118.378 -0.198 18154 7376 1 10 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.701 0.300 18154 7377 1 10 . 1 1 89 89 VAL C C 89 172.939 172.939 172.771 0.168 18154 7378 1 10 . 1 1 89 89 VAL CA C 89 60.999 60.999 59.957 1.042 18154 7379 1 10 . 1 1 89 89 VAL CB C 89 36.398 36.398 34.936 1.462 18154 7380 1 10 . 1 1 89 89 VAL H H 89 7.499 7.499 7.962 -0.463 18154 7381 1 10 . 1 1 90 90 ILE N N 90 125.000 125.000 126.936 -1.936 18154 7382 1 10 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.041 0.086 18154 7383 1 10 . 1 1 90 90 ILE C C 90 173.099 173.099 173.506 -0.407 18154 7384 1 10 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.749 0.739 18154 7385 1 10 . 1 1 90 90 ILE CB C 90 40.398 40.398 39.965 0.433 18154 7386 1 10 . 1 1 90 90 ILE H H 90 8.810 8.810 8.675 0.135 18154 7387 1 10 . 1 1 91 91 ALA N N 91 129.036 129.036 129.759 -0.723 18154 7388 1 10 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.368 -0.042 18154 7389 1 10 . 1 1 91 91 ALA C C 91 174.000 174.000 175.801 -1.801 18154 7390 1 10 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.699 -0.699 18154 7391 1 10 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.097 1.003 18154 7392 1 10 . 1 1 91 91 ALA H H 91 9.253 9.253 8.820 0.433 18154 7393 1 10 . 1 1 92 92 LEU HA H 92 4.931 4.931 4.994 -0.063 18154 7394 1 10 . 1 1 92 92 LEU C C 92 177.366 177.366 176.766 0.600 18154 7395 1 10 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.246 0.671 18154 7396 1 10 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.474 -3.074 18154 7397 1 10 . 1 1 93 93 GLY N N 93 110.663 110.663 108.534 2.129 18154 7398 1 10 . 1 1 93 93 GLY C C 93 172.029 172.029 171.723 0.306 18154 7399 1 10 . 1 1 93 93 GLY CA C 93 45.730 45.730 46.204 -0.474 18154 7400 1 10 . 1 1 93 93 GLY H H 93 8.687 8.687 8.846 -0.159 18154 7401 1 10 . 1 1 94 94 ASP N N 94 119.304 119.304 121.156 -1.852 18154 7402 1 10 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.626 -0.366 18154 7403 1 10 . 1 1 94 94 ASP C C 94 176.978 176.978 177.501 -0.523 18154 7404 1 10 . 1 1 94 94 ASP CA C 94 53.607 53.607 51.982 1.625 18154 7405 1 10 . 1 1 94 94 ASP CB C 94 43.000 43.000 42.409 0.591 18154 7406 1 10 . 1 1 94 94 ASP H H 94 8.129 8.129 8.522 -0.393 18154 7407 1 10 . 1 1 95 95 SER N N 95 123.897 123.897 122.680 1.217 18154 7408 1 10 . 1 1 95 95 SER HA H 95 3.895 3.895 4.148 -0.253 18154 7409 1 10 . 1 1 95 95 SER C C 95 175.243 175.243 175.237 0.006 18154 7410 1 10 . 1 1 95 95 SER CA C 95 60.183 60.183 60.112 0.070 18154 7411 1 10 . 1 1 95 95 SER CB C 95 61.700 61.700 62.862 -1.163 18154 7412 1 10 . 1 1 95 95 SER H H 95 8.878 8.878 9.414 -0.536 18154 7413 1 10 . 1 1 96 96 SER N N 96 119.248 119.248 115.521 3.727 18154 7414 1 10 . 1 1 96 96 SER HA H 96 4.209 4.209 4.319 -0.110 18154 7415 1 10 . 1 1 96 96 SER C C 96 173.900 173.900 174.860 -0.960 18154 7416 1 10 . 1 1 96 96 SER CA C 96 60.197 60.197 59.580 0.617 18154 7417 1 10 . 1 1 96 96 SER CB C 96 63.000 63.000 63.683 -0.683 18154 7418 1 10 . 1 1 96 96 SER H H 96 9.124 9.124 8.358 0.766 18154 7419 1 10 . 1 1 97 97 TYR N N 97 120.889 120.889 120.814 0.075 18154 7420 1 10 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.469 0.419 18154 7421 1 10 . 1 1 97 97 TYR C C 97 175.972 175.972 177.641 -1.669 18154 7422 1 10 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.644 -2.894 18154 7423 1 10 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.006 0.814 18154 7424 1 10 . 1 1 97 97 TYR H H 97 7.664 7.664 8.033 -0.369 18154 7425 1 10 . 1 1 98 98 VAL N N 98 116.952 116.952 121.992 -5.040 18154 7426 1 10 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.798 0.262 18154 7427 1 10 . 1 1 98 98 VAL C C 98 175.969 175.969 176.547 -0.578 18154 7428 1 10 . 1 1 98 98 VAL CA C 98 62.840 62.840 64.953 -2.113 18154 7429 1 10 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.561 1.039 18154 7430 1 10 . 1 1 98 98 VAL H H 98 7.970 7.970 8.530 -0.560 18154 7431 1 10 . 1 1 99 99 ASN N N 99 118.156 118.156 116.660 1.496 18154 7432 1 10 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.933 -0.422 18154 7433 1 10 . 1 1 99 99 ASN C C 99 174.329 174.329 175.841 -1.512 18154 7434 1 10 . 1 1 99 99 ASN CA C 99 53.031 53.031 53.287 -0.256 18154 7435 1 10 . 1 1 99 99 ASN CB C 99 37.238 37.238 39.051 -1.813 18154 7436 1 10 . 1 1 99 99 ASN H H 99 8.296 8.296 8.149 0.147 18154 7437 1 10 . 1 1 100 100 PHE N N 100 118.649 118.649 119.935 -1.286 18154 7438 1 10 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.006 0.409 18154 7439 1 10 . 1 1 100 100 PHE C C 100 174.400 174.400 175.516 -1.116 18154 7440 1 10 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.732 -3.542 18154 7441 1 10 . 1 1 100 100 PHE CB C 100 39.679 39.679 37.909 1.770 18154 7442 1 10 . 1 1 100 100 PHE H H 100 7.855 7.855 7.777 0.078 18154 7443 1 10 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.225 -0.640 18154 7444 1 10 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.732 5.008 18154 7445 1 10 . 1 1 101 101 CYS CB C 101 26.000 26.000 26.959 -0.959 18154 7446 1 10 . 1 1 101 101 CYS H H 101 9.240 9.240 8.025 1.215 18154 7447 1 10 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.445 -0.225 18154 7448 1 10 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.016 1.184 18154 7449 1 10 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.494 0.106 18154 7450 1 10 . 1 1 102 102 ASN H H 102 8.300 8.300 8.877 -0.577 18154 7451 1 10 . 1 1 103 103 GLY C C 103 175.690 175.690 175.790 -0.100 18154 7452 1 10 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.023 0.327 18154 7453 1 10 . 1 1 104 104 GLY N N 104 106.150 106.150 109.608 -3.458 18154 7454 1 10 . 1 1 104 104 GLY C C 104 174.570 174.570 176.206 -1.636 18154 7455 1 10 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.331 1.018 18154 7456 1 10 . 1 1 104 104 GLY H H 104 7.108 7.108 7.688 -0.580 18154 7457 1 10 . 1 1 105 105 LYS N N 105 120.732 120.732 122.148 -1.416 18154 7458 1 10 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.999 -0.062 18154 7459 1 10 . 1 1 105 105 LYS C C 105 179.706 179.706 179.134 0.572 18154 7460 1 10 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.890 0.418 18154 7461 1 10 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.232 -0.435 18154 7462 1 10 . 1 1 105 105 LYS H H 105 7.708 7.708 7.547 0.161 18154 7463 1 10 . 1 1 106 106 GLN N N 106 119.087 119.087 118.240 0.847 18154 7464 1 10 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.177 -0.035 18154 7465 1 10 . 1 1 106 106 GLN C C 106 179.418 179.418 178.446 0.972 18154 7466 1 10 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.304 0.571 18154 7467 1 10 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.101 0.658 18154 7468 1 10 . 1 1 106 106 GLN H H 106 8.738 8.738 8.482 0.256 18154 7469 1 10 . 1 1 107 107 PHE N N 107 123.088 123.088 121.003 2.085 18154 7470 1 10 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.411 -0.161 18154 7471 1 10 . 1 1 107 107 PHE C C 107 178.403 178.403 177.673 0.730 18154 7472 1 10 . 1 1 107 107 PHE CA C 107 62.185 62.185 62.182 0.003 18154 7473 1 10 . 1 1 107 107 PHE CB C 107 39.451 39.451 39.075 0.376 18154 7474 1 10 . 1 1 107 107 PHE H H 107 7.922 7.922 8.204 -0.282 18154 7475 1 10 . 1 1 108 108 ASP N N 108 117.118 117.118 120.171 -3.053 18154 7476 1 10 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.439 -0.065 18154 7477 1 10 . 1 1 108 108 ASP C C 108 176.973 176.973 177.993 -1.020 18154 7478 1 10 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.778 0.651 18154 7479 1 10 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.243 2.880 18154 7480 1 10 . 1 1 108 108 ASP H H 108 8.305 8.305 8.179 0.126 18154 7481 1 10 . 1 1 109 109 ALA N N 109 118.590 118.590 122.615 -4.025 18154 7482 1 10 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.009 0.041 18154 7483 1 10 . 1 1 109 109 ALA C C 109 180.430 180.430 179.256 1.174 18154 7484 1 10 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.146 0.050 18154 7485 1 10 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.496 -0.389 18154 7486 1 10 . 1 1 109 109 ALA H H 109 8.332 8.332 8.215 0.117 18154 7487 1 10 . 1 1 110 110 LEU N N 110 120.402 120.402 120.449 -0.047 18154 7488 1 10 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.839 0.246 18154 7489 1 10 . 1 1 110 110 LEU C C 110 177.801 177.801 178.890 -1.089 18154 7490 1 10 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.550 0.090 18154 7491 1 10 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.903 0.853 18154 7492 1 10 . 1 1 110 110 LEU H H 110 7.868 7.868 7.986 -0.118 18154 7493 1 10 . 1 1 111 111 LEU N N 111 116.945 116.945 116.750 0.195 18154 7494 1 10 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.726 -0.008 18154 7495 1 10 . 1 1 111 111 LEU C C 111 179.838 179.838 179.111 0.727 18154 7496 1 10 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.693 0.272 18154 7497 1 10 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.124 -2.264 18154 7498 1 10 . 1 1 111 111 LEU H H 111 7.704 7.704 7.473 0.231 18154 7499 1 10 . 1 1 112 112 GLN N N 112 118.484 118.484 117.041 1.443 18154 7500 1 10 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.073 0.068 18154 7501 1 10 . 1 1 112 112 GLN C C 112 181.218 181.218 178.382 2.836 18154 7502 1 10 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.691 1.276 18154 7503 1 10 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.235 1.025 18154 7504 1 10 . 1 1 112 112 GLN H H 112 8.441 8.441 8.048 0.393 18154 7505 1 10 . 1 1 113 113 GLU N N 113 122.905 122.905 117.515 5.390 18154 7506 1 10 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.092 0.089 18154 7507 1 10 . 1 1 113 113 GLU C C 113 178.001 178.001 177.601 0.400 18154 7508 1 10 . 1 1 113 113 GLU CA C 113 58.985 58.985 58.005 0.980 18154 7509 1 10 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.371 -0.101 18154 7510 1 10 . 1 1 113 113 GLU H H 113 8.305 8.305 7.881 0.424 18154 7511 1 10 . 1 1 114 114 GLN N N 114 117.332 117.332 118.862 -1.530 18154 7512 1 10 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.272 0.323 18154 7513 1 10 . 1 1 114 114 GLN C C 114 174.538 174.538 177.063 -2.525 18154 7514 1 10 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.735 -1.318 18154 7515 1 10 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.502 -4.672 18154 7516 1 10 . 1 1 114 114 GLN H H 114 7.520 7.520 7.543 -0.023 18154 7517 1 10 . 1 1 115 115 SER N N 115 109.100 109.100 109.174 -0.074 18154 7518 1 10 . 1 1 115 115 SER HA H 115 4.200 4.200 4.445 -0.245 18154 7519 1 10 . 1 1 115 115 SER C C 115 172.302 172.302 173.847 -1.545 18154 7520 1 10 . 1 1 115 115 SER CA C 115 60.400 60.400 58.347 2.053 18154 7521 1 10 . 1 1 115 115 SER CB C 115 61.325 61.325 64.417 -3.092 18154 7522 1 10 . 1 1 115 115 SER H H 115 7.950 7.950 7.994 -0.044 18154 7523 1 10 . 1 1 116 116 ALA N N 116 121.059 121.059 126.125 -5.066 18154 7524 1 10 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.132 0.662 18154 7525 1 10 . 1 1 116 116 ALA C C 116 176.774 176.774 176.151 0.623 18154 7526 1 10 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.779 -1.089 18154 7527 1 10 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.128 1.237 18154 7528 1 10 . 1 1 116 116 ALA H H 116 7.813 7.813 7.509 0.304 18154 7529 1 10 . 1 1 117 117 GLN N N 117 118.000 118.000 118.525 -0.525 18154 7530 1 10 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.677 -0.059 18154 7531 1 10 . 1 1 117 117 GLN C C 117 173.769 173.769 175.235 -1.466 18154 7532 1 10 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.754 -0.198 18154 7533 1 10 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.869 -1.134 18154 7534 1 10 . 1 1 117 117 GLN H H 117 8.591 8.591 8.273 0.318 18154 7535 1 10 . 1 1 118 118 ARG N N 118 127.947 127.947 120.948 6.999 18154 7536 1 10 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.252 -1.944 18154 7537 1 10 . 1 1 118 118 ARG C C 118 176.758 176.758 175.332 1.426 18154 7538 1 10 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.833 1.353 18154 7539 1 10 . 1 1 118 118 ARG CB C 118 30.310 30.310 33.171 -2.861 18154 7540 1 10 . 1 1 118 118 ARG H H 118 8.659 8.659 8.626 0.033 18154 7541 1 10 . 1 1 119 119 VAL N N 119 131.939 131.939 122.302 9.637 18154 7542 1 10 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.403 -0.290 18154 7543 1 10 . 1 1 119 119 VAL C C 119 176.775 176.775 176.559 0.216 18154 7544 1 10 . 1 1 119 119 VAL CA C 119 62.174 62.174 62.261 -0.087 18154 7545 1 10 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.995 -1.601 18154 7546 1 10 . 1 1 119 119 VAL H H 119 9.520 9.520 8.669 0.851 18154 7547 1 10 . 1 1 120 120 GLY N N 120 116.074 116.074 115.629 0.445 18154 7548 1 10 . 1 1 120 120 GLY C C 120 172.757 172.757 173.640 -0.883 18154 7549 1 10 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.182 -1.284 18154 7550 1 10 . 1 1 120 120 GLY H H 120 8.755 8.755 8.407 0.348 18154 7551 1 10 . 1 1 121 121 GLU N N 121 118.754 118.754 121.178 -2.424 18154 7552 1 10 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.815 -0.149 18154 7553 1 10 . 1 1 121 121 GLU C C 121 177.419 177.419 176.775 0.644 18154 7554 1 10 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.753 -0.262 18154 7555 1 10 . 1 1 121 121 GLU CB C 121 31.498 31.498 31.308 0.189 18154 7556 1 10 . 1 1 121 121 GLU H H 121 8.594 8.594 8.428 0.166 18154 7557 1 10 . 1 1 122 122 MET N N 122 122.642 122.642 121.914 0.728 18154 7558 1 10 . 1 1 122 122 MET HA H 122 4.415 4.415 4.815 -0.400 18154 7559 1 10 . 1 1 122 122 MET C C 122 175.351 175.351 174.910 0.441 18154 7560 1 10 . 1 1 122 122 MET CA C 122 57.024 57.024 54.942 2.082 18154 7561 1 10 . 1 1 122 122 MET CB C 122 34.210 34.210 33.195 1.015 18154 7562 1 10 . 1 1 122 122 MET H H 122 8.892 8.892 8.553 0.339 18154 7563 1 10 . 1 1 123 123 LEU N N 123 129.535 129.535 122.334 7.201 18154 7564 1 10 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.383 -0.033 18154 7565 1 10 . 1 1 123 123 LEU C C 123 173.124 173.124 174.309 -1.185 18154 7566 1 10 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.281 0.458 18154 7567 1 10 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.404 -1.326 18154 7568 1 10 . 1 1 123 123 LEU H H 123 7.868 7.868 7.439 0.429 18154 7569 1 10 . 1 1 124 124 LEU N N 124 127.120 127.120 125.882 1.238 18154 7570 1 10 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.720 0.335 18154 7571 1 10 . 1 1 124 124 LEU C C 124 176.379 176.379 176.073 0.306 18154 7572 1 10 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.065 0.485 18154 7573 1 10 . 1 1 124 124 LEU CB C 124 41.378 41.378 43.081 -1.703 18154 7574 1 10 . 1 1 124 124 LEU H H 124 8.346 8.346 8.172 0.174 18154 7575 1 10 . 1 1 125 125 ILE N N 125 124.337 124.337 124.578 -0.241 18154 7576 1 10 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.242 -0.062 18154 7577 1 10 . 1 1 125 125 ILE C C 125 174.303 174.303 174.751 -0.448 18154 7578 1 10 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.692 0.408 18154 7579 1 10 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.961 -1.018 18154 7580 1 10 . 1 1 125 125 ILE H H 125 8.974 8.974 8.297 0.677 18154 7581 1 10 . 1 1 126 126 ASP N N 126 127.113 127.113 128.002 -0.889 18154 7582 1 10 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.364 -0.249 18154 7583 1 10 . 1 1 126 126 ASP C C 126 176.766 176.766 176.458 0.308 18154 7584 1 10 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.506 -0.659 18154 7585 1 10 . 1 1 126 126 ASP CB C 126 41.100 41.100 41.769 -0.669 18154 7586 1 10 . 1 1 126 126 ASP H H 126 9.397 9.397 8.856 0.541 18154 7587 1 10 . 1 1 127 127 ALA N N 127 131.178 131.178 130.922 0.256 18154 7588 1 10 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.573 -0.257 18154 7589 1 10 . 1 1 127 127 ALA C C 127 178.530 178.530 178.687 -0.157 18154 7590 1 10 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.024 -0.177 18154 7591 1 10 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.172 -0.380 18154 7592 1 10 . 1 1 127 127 ALA H H 127 9.696 9.696 9.157 0.539 18154 7593 1 10 . 1 1 128 128 SER N N 128 112.064 112.064 113.198 -1.134 18154 7594 1 10 . 1 1 128 128 SER HA H 128 4.224 4.224 4.346 -0.122 18154 7595 1 10 . 1 1 128 128 SER C C 128 175.000 175.000 175.409 -0.409 18154 7596 1 10 . 1 1 128 128 SER CA C 128 61.246 61.246 60.497 0.749 18154 7597 1 10 . 1 1 128 128 SER CB C 128 63.310 63.310 63.598 -0.288 18154 7598 1 10 . 1 1 128 128 SER H H 128 8.373 8.373 8.197 0.176 18154 7599 1 10 . 1 1 129 129 GLU N N 129 119.468 119.468 119.830 -0.362 18154 7600 1 10 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.435 -0.035 18154 7601 1 10 . 1 1 129 129 GLU C C 129 175.947 175.947 176.037 -0.090 18154 7602 1 10 . 1 1 129 129 GLU CA C 129 56.415 56.415 57.015 -0.600 18154 7603 1 10 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.531 0.199 18154 7604 1 10 . 1 1 129 129 GLU H H 129 7.267 7.267 7.578 -0.311 18154 7605 1 10 . 1 1 130 130 ASN N N 130 115.968 115.968 117.832 -1.864 18154 7606 1 10 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.111 0.055 18154 7607 1 10 . 1 1 130 130 ASN C C 130 172.000 172.000 173.974 -1.974 18154 7608 1 10 . 1 1 130 130 ASN CA C 130 50.223 50.223 51.047 -0.824 18154 7609 1 10 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.838 -0.172 18154 7610 1 10 . 1 1 130 130 ASN H H 130 8.072 8.072 8.022 0.050 18154 7611 1 10 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.602 -0.052 18154 7612 1 10 . 1 1 131 131 PRO C C 131 176.400 176.400 176.647 -0.247 18154 7613 1 10 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.959 -0.459 18154 7614 1 10 . 1 1 131 131 PRO CB C 131 32.300 32.300 32.042 0.258 18154 7615 1 10 . 1 1 132 132 GLU N N 132 119.000 119.000 119.615 -0.615 18154 7616 1 10 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.757 0.263 18154 7617 1 10 . 1 1 132 132 GLU C C 132 174.200 174.200 175.253 -1.053 18154 7618 1 10 . 1 1 132 132 GLU CA C 132 53.000 53.000 52.473 0.527 18154 7619 1 10 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.456 0.244 18154 7620 1 10 . 1 1 132 132 GLU H H 132 7.690 7.690 7.963 -0.273 18154 7621 1 10 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.267 -0.267 18154 7622 1 10 . 1 1 133 133 PRO C C 133 177.391 177.391 177.908 -0.517 18154 7623 1 10 . 1 1 133 133 PRO CA C 133 65.469 65.469 64.686 0.783 18154 7624 1 10 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.900 0.245 18154 7625 1 10 . 1 1 134 134 GLU N N 134 122.846 122.846 117.330 5.516 18154 7626 1 10 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.152 1.068 18154 7627 1 10 . 1 1 134 134 GLU C C 134 178.385 178.385 178.610 -0.225 18154 7628 1 10 . 1 1 134 134 GLU CA C 134 57.592 57.592 58.801 -1.209 18154 7629 1 10 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.347 -1.757 18154 7630 1 10 . 1 1 134 134 GLU H H 134 10.707 10.707 8.727 1.980 18154 7631 1 10 . 1 1 135 135 THR N N 135 113.016 113.016 111.635 1.381 18154 7632 1 10 . 1 1 135 135 THR HA H 135 4.182 4.182 4.146 0.036 18154 7633 1 10 . 1 1 135 135 THR C C 135 176.460 176.460 175.715 0.745 18154 7634 1 10 . 1 1 135 135 THR CA C 135 64.752 64.752 65.091 -0.339 18154 7635 1 10 . 1 1 135 135 THR CB C 135 69.248 69.248 68.814 0.434 18154 7636 1 10 . 1 1 135 135 THR H H 135 8.168 8.168 8.132 0.036 18154 7637 1 10 . 1 1 136 136 GLU N N 136 118.978 118.978 121.159 -2.181 18154 7638 1 10 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.518 0.046 18154 7639 1 10 . 1 1 136 136 GLU C C 136 178.370 178.370 178.552 -0.182 18154 7640 1 10 . 1 1 136 136 GLU CA C 136 56.913 56.913 57.997 -1.084 18154 7641 1 10 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.709 1.391 18154 7642 1 10 . 1 1 136 136 GLU H H 136 7.680 7.680 7.659 0.021 18154 7643 1 10 . 1 1 137 137 SER N N 137 116.501 116.501 116.137 0.364 18154 7644 1 10 . 1 1 137 137 SER HA H 137 4.033 4.033 4.179 -0.146 18154 7645 1 10 . 1 1 137 137 SER C C 137 175.670 175.670 176.647 -0.977 18154 7646 1 10 . 1 1 137 137 SER CA C 137 62.330 62.330 62.164 0.166 18154 7647 1 10 . 1 1 137 137 SER CB C 137 61.380 61.380 62.943 -1.563 18154 7648 1 10 . 1 1 137 137 SER H H 137 8.824 8.824 8.407 0.417 18154 7649 1 10 . 1 1 138 138 ASN N N 138 123.517 123.517 121.154 2.363 18154 7650 1 10 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.739 -0.148 18154 7651 1 10 . 1 1 138 138 ASN C C 138 175.700 175.700 175.387 0.313 18154 7652 1 10 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.767 -0.281 18154 7653 1 10 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.056 -2.803 18154 7654 1 10 . 1 1 138 138 ASN H H 138 8.564 8.564 8.181 0.383 18154 7655 1 10 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.308 0.147 18154 7656 1 10 . 1 1 139 139 PRO C C 139 180.033 180.033 178.445 1.588 18154 7657 1 10 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.278 0.332 18154 7658 1 10 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.312 -0.776 18154 7659 1 10 . 1 1 140 140 TRP N N 140 119.700 119.700 121.569 -1.869 18154 7660 1 10 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.448 -0.115 18154 7661 1 10 . 1 1 140 140 TRP C C 140 179.195 179.195 178.101 1.094 18154 7662 1 10 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.695 0.485 18154 7663 1 10 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.419 1.332 18154 7664 1 10 . 1 1 140 140 TRP H H 140 7.057 7.057 7.754 -0.697 18154 7665 1 10 . 1 1 141 141 VAL N N 141 122.879 122.879 118.942 3.937 18154 7666 1 10 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.640 0.096 18154 7667 1 10 . 1 1 141 141 VAL C C 141 177.416 177.416 178.295 -0.879 18154 7668 1 10 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.263 -0.547 18154 7669 1 10 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.629 -0.197 18154 7670 1 10 . 1 1 141 141 VAL H H 141 9.629 9.629 8.667 0.962 18154 7671 1 10 . 1 1 142 142 GLU N N 142 119.965 119.965 120.159 -0.194 18154 7672 1 10 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.908 -0.176 18154 7673 1 10 . 1 1 142 142 GLU C C 142 178.800 178.800 178.943 -0.143 18154 7674 1 10 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.970 -0.638 18154 7675 1 10 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.570 -0.010 18154 7676 1 10 . 1 1 142 142 GLU H H 142 8.551 8.551 8.261 0.290 18154 7677 1 10 . 1 1 143 143 GLN N N 143 115.364 115.364 119.206 -3.842 18154 7678 1 10 . 1 1 143 143 GLN HA H 143 4.290 4.290 3.963 0.327 18154 7679 1 10 . 1 1 143 143 GLN C C 143 177.840 177.840 178.111 -0.271 18154 7680 1 10 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.740 0.623 18154 7681 1 10 . 1 1 143 143 GLN CB C 143 29.362 29.362 28.741 0.621 18154 7682 1 10 . 1 1 143 143 GLN H H 143 7.380 7.380 8.079 -0.699 18154 7683 1 10 . 1 1 144 144 TRP N N 144 126.680 126.680 122.403 4.277 18154 7684 1 10 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.939 -0.605 18154 7685 1 10 . 1 1 144 144 TRP C C 144 178.200 178.200 178.476 -0.276 18154 7686 1 10 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.583 2.377 18154 7687 1 10 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.201 0.324 18154 7688 1 10 . 1 1 144 144 TRP H H 144 9.215 9.215 8.539 0.676 18154 7689 1 10 . 1 1 145 145 GLY N N 145 100.130 100.130 105.449 -5.319 18154 7690 1 10 . 1 1 145 145 GLY C C 145 177.391 177.391 174.823 2.568 18154 7691 1 10 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.236 -0.476 18154 7692 1 10 . 1 1 145 145 GLY H H 145 8.834 8.834 8.671 0.163 18154 7693 1 10 . 1 1 146 146 THR N N 146 110.831 110.831 113.640 -2.809 18154 7694 1 10 . 1 1 146 146 THR HA H 146 4.319 4.319 4.078 0.241 18154 7695 1 10 . 1 1 146 146 THR C C 146 175.574 175.574 175.747 -0.173 18154 7696 1 10 . 1 1 146 146 THR CA C 146 63.260 63.260 64.260 -1.000 18154 7697 1 10 . 1 1 146 146 THR CB C 146 69.660 69.660 68.619 1.041 18154 7698 1 10 . 1 1 146 146 THR H H 146 7.594 7.594 7.493 0.101 18154 7699 1 10 . 1 1 147 147 LEU N N 147 120.678 120.678 119.866 0.812 18154 7700 1 10 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.162 -0.104 18154 7701 1 10 . 1 1 147 147 LEU C C 147 177.176 177.176 176.722 0.454 18154 7702 1 10 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.611 -1.297 18154 7703 1 10 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.568 -0.340 18154 7704 1 10 . 1 1 147 147 LEU H H 147 7.458 7.458 7.543 -0.085 18154 7705 1 10 . 1 1 148 148 LEU N N 148 117.062 117.062 118.225 -1.163 18154 7706 1 10 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.682 0.036 18154 7707 1 10 . 1 1 148 148 LEU C C 148 175.570 175.570 176.477 -0.907 18154 7708 1 10 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.361 -0.410 18154 7709 1 10 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.034 -1.434 18154 7710 1 10 . 1 1 148 148 LEU H H 148 6.482 6.482 6.854 -0.372 18154 7711 1 11 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.750 -0.521 18154 7712 1 11 . 1 1 2 2 ALA C C 2 173.315 173.315 175.902 -2.587 18154 7713 1 11 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.548 0.032 18154 7714 1 11 . 1 1 2 2 ALA CB C 2 20.223 20.223 20.443 -0.220 18154 7715 1 11 . 1 1 3 3 GLU N N 3 121.874 121.874 119.418 2.456 18154 7716 1 11 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.476 -0.202 18154 7717 1 11 . 1 1 3 3 GLU C C 3 174.545 174.545 175.483 -0.938 18154 7718 1 11 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.588 0.262 18154 7719 1 11 . 1 1 3 3 GLU CB C 3 31.720 31.720 31.947 -0.227 18154 7720 1 11 . 1 1 3 3 GLU H H 3 8.696 8.696 8.775 -0.079 18154 7721 1 11 . 1 1 4 4 ILE N N 4 120.672 120.672 125.325 -4.653 18154 7722 1 11 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.727 0.382 18154 7723 1 11 . 1 1 4 4 ILE C C 4 175.463 175.463 174.766 0.697 18154 7724 1 11 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.163 -0.330 18154 7725 1 11 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.843 2.827 18154 7726 1 11 . 1 1 4 4 ILE H H 4 8.860 8.860 9.206 -0.346 18154 7727 1 11 . 1 1 5 5 GLY N N 5 119.310 119.310 114.519 4.791 18154 7728 1 11 . 1 1 5 5 GLY C C 5 171.260 171.260 172.905 -1.645 18154 7729 1 11 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.365 0.454 18154 7730 1 11 . 1 1 5 5 GLY H H 5 8.469 8.469 7.980 0.489 18154 7731 1 11 . 1 1 6 6 ILE N N 6 126.915 126.915 125.999 0.916 18154 7732 1 11 . 1 1 6 6 ILE HA H 6 5.190 5.190 4.899 0.291 18154 7733 1 11 . 1 1 6 6 ILE C C 6 173.901 173.901 174.504 -0.603 18154 7734 1 11 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.733 -0.733 18154 7735 1 11 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.658 -1.658 18154 7736 1 11 . 1 1 6 6 ILE H H 6 9.056 9.056 9.218 -0.162 18154 7737 1 11 . 1 1 7 7 PHE N N 7 127.354 127.354 127.704 -0.350 18154 7738 1 11 . 1 1 7 7 PHE HA H 7 4.512 4.512 4.993 -0.481 18154 7739 1 11 . 1 1 7 7 PHE C C 7 174.230 174.230 174.924 -0.694 18154 7740 1 11 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.498 1.912 18154 7741 1 11 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.056 1.672 18154 7742 1 11 . 1 1 7 7 PHE H H 7 8.960 8.960 9.450 -0.490 18154 7743 1 11 . 1 1 8 8 VAL HA H 8 5.060 5.060 4.770 0.290 18154 7744 1 11 . 1 1 8 8 VAL C C 8 175.450 175.450 176.136 -0.686 18154 7745 1 11 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.704 0.496 18154 7746 1 11 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.475 0.962 18154 7747 1 11 . 1 1 9 9 GLY N N 9 115.000 115.000 119.414 -4.414 18154 7748 1 11 . 1 1 9 9 GLY C C 9 173.150 173.150 172.589 0.561 18154 7749 1 11 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.699 0.301 18154 7750 1 11 . 1 1 9 9 GLY H H 9 9.393 9.393 9.087 0.306 18154 7751 1 11 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.727 -0.032 18154 7752 1 11 . 1 1 12 12 TYR C C 12 176.560 176.560 175.256 1.304 18154 7753 1 11 . 1 1 12 12 TYR CA C 12 57.750 57.750 59.012 -1.262 18154 7754 1 11 . 1 1 12 12 TYR CB C 12 38.000 38.000 41.110 -3.110 18154 7755 1 11 . 1 1 13 13 GLY N N 13 109.870 109.870 111.901 -2.031 18154 7756 1 11 . 1 1 13 13 GLY C C 13 175.930 175.930 172.980 2.950 18154 7757 1 11 . 1 1 13 13 GLY CA C 13 46.000 46.000 45.603 0.397 18154 7758 1 11 . 1 1 13 13 GLY H H 13 8.500 8.500 7.721 0.779 18154 7759 1 11 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.104 0.126 18154 7760 1 11 . 1 1 17 17 LEU C C 17 179.210 179.210 178.220 0.990 18154 7761 1 11 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.721 0.679 18154 7762 1 11 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.385 -0.085 18154 7763 1 11 . 1 1 18 18 VAL N N 18 117.231 117.231 117.199 0.032 18154 7764 1 11 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.631 -0.308 18154 7765 1 11 . 1 1 18 18 VAL C C 18 178.460 178.460 177.911 0.549 18154 7766 1 11 . 1 1 18 18 VAL CA C 18 66.866 66.866 65.446 1.420 18154 7767 1 11 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.527 0.933 18154 7768 1 11 . 1 1 18 18 VAL H H 18 7.645 7.645 8.147 -0.502 18154 7769 1 11 . 1 1 19 19 ALA N N 19 121.820 121.820 122.174 -0.354 18154 7770 1 11 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.958 -0.142 18154 7771 1 11 . 1 1 19 19 ALA C C 19 178.180 178.180 179.389 -1.209 18154 7772 1 11 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.717 -0.140 18154 7773 1 11 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.097 1.903 18154 7774 1 11 . 1 1 19 19 ALA H H 19 8.010 8.010 8.296 -0.286 18154 7775 1 11 . 1 1 20 20 GLU N N 20 118.960 118.960 118.395 0.565 18154 7776 1 11 . 1 1 20 20 GLU HA H 20 4.016 4.016 3.985 0.031 18154 7777 1 11 . 1 1 20 20 GLU C C 20 180.950 180.950 179.368 1.582 18154 7778 1 11 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.384 0.282 18154 7779 1 11 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.275 0.025 18154 7780 1 11 . 1 1 20 20 GLU H H 20 8.700 8.700 7.947 0.753 18154 7781 1 11 . 1 1 21 21 GLU N N 21 121.371 121.371 119.618 1.753 18154 7782 1 11 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.093 -0.049 18154 7783 1 11 . 1 1 21 21 GLU C C 21 179.419 179.419 178.758 0.661 18154 7784 1 11 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.176 0.134 18154 7785 1 11 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.325 0.236 18154 7786 1 11 . 1 1 21 21 GLU H H 21 8.632 8.632 7.961 0.671 18154 7787 1 11 . 1 1 22 22 ALA N N 22 121.329 121.329 122.914 -1.585 18154 7788 1 11 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.065 -0.007 18154 7789 1 11 . 1 1 22 22 ALA C C 22 178.823 178.823 179.362 -0.539 18154 7790 1 11 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.613 -0.936 18154 7791 1 11 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.141 -0.498 18154 7792 1 11 . 1 1 22 22 ALA H H 22 8.182 8.182 8.608 -0.426 18154 7793 1 11 . 1 1 23 23 GLU N N 23 119.035 119.035 119.271 -0.236 18154 7794 1 11 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.004 -0.600 18154 7795 1 11 . 1 1 23 23 GLU C C 23 178.375 178.375 178.677 -0.302 18154 7796 1 11 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.686 0.622 18154 7797 1 11 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.634 -0.704 18154 7798 1 11 . 1 1 23 23 GLU H H 23 8.387 8.387 8.484 -0.097 18154 7799 1 11 . 1 1 24 24 ALA N N 24 122.207 122.207 122.154 0.053 18154 7800 1 11 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.097 -0.067 18154 7801 1 11 . 1 1 24 24 ALA C C 24 181.132 181.132 179.877 1.255 18154 7802 1 11 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.111 0.376 18154 7803 1 11 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.629 -0.629 18154 7804 1 11 . 1 1 24 24 ALA H H 24 7.535 7.535 7.860 -0.325 18154 7805 1 11 . 1 1 25 25 ILE N N 25 121.059 121.059 120.036 1.023 18154 7806 1 11 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.706 -0.042 18154 7807 1 11 . 1 1 25 25 ILE C C 25 178.419 178.419 177.916 0.503 18154 7808 1 11 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.033 -0.925 18154 7809 1 11 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.112 0.851 18154 7810 1 11 . 1 1 25 25 ILE H H 25 7.800 7.800 8.538 -0.738 18154 7811 1 11 . 1 1 26 26 LEU N N 26 119.307 119.307 120.417 -1.110 18154 7812 1 11 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.163 0.013 18154 7813 1 11 . 1 1 26 26 LEU C C 26 179.863 179.863 179.696 0.167 18154 7814 1 11 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.276 -0.331 18154 7815 1 11 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.333 -0.193 18154 7816 1 11 . 1 1 26 26 LEU H H 26 8.509 8.509 8.629 -0.120 18154 7817 1 11 . 1 1 27 27 THR N N 27 117.830 117.830 116.154 1.676 18154 7818 1 11 . 1 1 27 27 THR HA H 27 4.524 4.524 4.404 0.120 18154 7819 1 11 . 1 1 27 27 THR C C 27 179.027 179.027 176.291 2.736 18154 7820 1 11 . 1 1 27 27 THR CA C 27 66.000 66.000 66.550 -0.550 18154 7821 1 11 . 1 1 27 27 THR CB C 27 68.600 68.600 68.492 0.108 18154 7822 1 11 . 1 1 27 27 THR H H 27 8.796 8.796 8.604 0.192 18154 7823 1 11 . 1 1 28 28 ALA N N 28 126.313 126.313 122.707 3.606 18154 7824 1 11 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.167 0.038 18154 7825 1 11 . 1 1 28 28 ALA C C 28 179.360 179.360 179.192 0.168 18154 7826 1 11 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.258 0.742 18154 7827 1 11 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.234 -0.584 18154 7828 1 11 . 1 1 28 28 ALA H H 28 7.832 7.832 7.812 0.020 18154 7829 1 11 . 1 1 29 29 GLN N N 29 115.527 115.527 116.623 -1.096 18154 7830 1 11 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.105 0.022 18154 7831 1 11 . 1 1 29 29 GLN C C 29 176.547 176.547 177.010 -0.463 18154 7832 1 11 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.258 -0.695 18154 7833 1 11 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.688 -0.278 18154 7834 1 11 . 1 1 29 29 GLN H H 29 7.353 7.353 8.058 -0.705 18154 7835 1 11 . 1 1 30 30 GLY N N 30 105.961 105.961 103.926 2.035 18154 7836 1 11 . 1 1 30 30 GLY C C 30 174.785 174.785 174.081 0.704 18154 7837 1 11 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.577 -0.077 18154 7838 1 11 . 1 1 30 30 GLY H H 30 7.923 7.923 7.659 0.264 18154 7839 1 11 . 1 1 31 31 HIS N N 31 119.471 119.471 118.934 0.537 18154 7840 1 11 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.687 0.148 18154 7841 1 11 . 1 1 31 31 HIS C C 31 174.665 174.665 173.967 0.698 18154 7842 1 11 . 1 1 31 31 HIS CA C 31 55.842 55.842 55.604 0.238 18154 7843 1 11 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.718 0.282 18154 7844 1 11 . 1 1 31 31 HIS H H 31 7.558 7.558 8.221 -0.663 18154 7845 1 11 . 1 1 32 32 LYS N N 32 121.854 121.854 121.246 0.608 18154 7846 1 11 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.566 0.157 18154 7847 1 11 . 1 1 32 32 LYS C C 32 174.466 174.466 174.615 -0.149 18154 7848 1 11 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.426 0.439 18154 7849 1 11 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.172 0.787 18154 7850 1 11 . 1 1 32 32 LYS H H 32 8.665 8.665 8.892 -0.227 18154 7851 1 11 . 1 1 33 33 ALA N N 33 130.188 130.188 129.170 1.018 18154 7852 1 11 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.566 0.252 18154 7853 1 11 . 1 1 33 33 ALA C C 33 175.567 175.567 176.583 -1.016 18154 7854 1 11 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.879 -0.903 18154 7855 1 11 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.334 0.963 18154 7856 1 11 . 1 1 33 33 ALA H H 33 8.837 8.837 7.911 0.926 18154 7857 1 11 . 1 1 34 34 THR N N 34 117.164 117.164 116.928 0.236 18154 7858 1 11 . 1 1 34 34 THR HA H 34 4.359 4.359 4.791 -0.432 18154 7859 1 11 . 1 1 34 34 THR C C 34 171.315 171.315 173.132 -1.817 18154 7860 1 11 . 1 1 34 34 THR CA C 34 61.840 61.840 61.074 0.766 18154 7861 1 11 . 1 1 34 34 THR CB C 34 71.800 71.800 72.608 -0.808 18154 7862 1 11 . 1 1 34 34 THR H H 34 7.826 7.826 8.675 -0.849 18154 7863 1 11 . 1 1 35 35 VAL N N 35 126.650 126.650 124.564 2.086 18154 7864 1 11 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.351 -0.168 18154 7865 1 11 . 1 1 35 35 VAL C C 35 174.675 174.675 175.350 -0.675 18154 7866 1 11 . 1 1 35 35 VAL CA C 35 61.928 61.928 62.305 -0.377 18154 7867 1 11 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.246 0.404 18154 7868 1 11 . 1 1 35 35 VAL H H 35 8.496 8.496 8.575 -0.079 18154 7869 1 11 . 1 1 36 36 PHE N N 36 127.630 127.630 127.327 0.303 18154 7870 1 11 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.692 -0.141 18154 7871 1 11 . 1 1 36 36 PHE C C 36 174.347 174.347 174.571 -0.224 18154 7872 1 11 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.635 0.847 18154 7873 1 11 . 1 1 36 36 PHE CB C 36 40.165 40.165 41.264 -1.099 18154 7874 1 11 . 1 1 36 36 PHE H H 36 9.164 9.164 9.243 -0.079 18154 7875 1 11 . 1 1 37 37 GLU N N 37 123.516 123.516 124.008 -0.492 18154 7876 1 11 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.465 0.005 18154 7877 1 11 . 1 1 37 37 GLU C C 37 175.954 175.954 176.029 -0.075 18154 7878 1 11 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.014 -0.295 18154 7879 1 11 . 1 1 37 37 GLU CB C 37 31.460 31.460 31.323 0.137 18154 7880 1 11 . 1 1 37 37 GLU H H 37 8.455 8.455 8.569 -0.114 18154 7881 1 11 . 1 1 38 38 ASP N N 38 120.395 120.395 121.724 -1.329 18154 7882 1 11 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.442 0.391 18154 7883 1 11 . 1 1 38 38 ASP C C 38 173.920 173.920 174.604 -0.684 18154 7884 1 11 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.103 0.374 18154 7885 1 11 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.565 0.039 18154 7886 1 11 . 1 1 38 38 ASP H H 38 9.602 9.602 8.661 0.941 18154 7887 1 11 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.644 0.036 18154 7888 1 11 . 1 1 39 39 PRO C C 39 176.274 176.274 176.257 0.017 18154 7889 1 11 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.390 -0.406 18154 7890 1 11 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.285 1.115 18154 7891 1 11 . 1 1 40 40 GLU N N 40 119.026 119.026 120.343 -1.317 18154 7892 1 11 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.503 0.225 18154 7893 1 11 . 1 1 40 40 GLU C C 40 177.827 177.827 178.796 -0.969 18154 7894 1 11 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.632 -0.661 18154 7895 1 11 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.081 2.319 18154 7896 1 11 . 1 1 40 40 GLU H H 40 9.178 9.178 8.880 0.298 18154 7897 1 11 . 1 1 41 41 LEU N N 41 123.708 123.708 123.551 0.157 18154 7898 1 11 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.236 -0.342 18154 7899 1 11 . 1 1 41 41 LEU C C 41 178.730 178.730 177.545 1.185 18154 7900 1 11 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.508 0.899 18154 7901 1 11 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.681 -0.028 18154 7902 1 11 . 1 1 41 41 LEU H H 41 9.160 9.160 8.661 0.499 18154 7903 1 11 . 1 1 42 42 SER N N 42 110.500 110.500 113.712 -3.212 18154 7904 1 11 . 1 1 42 42 SER HA H 42 4.010 4.010 4.246 -0.236 18154 7905 1 11 . 1 1 42 42 SER C C 42 176.300 176.300 175.203 1.097 18154 7906 1 11 . 1 1 42 42 SER CA C 42 61.600 61.600 60.812 0.788 18154 7907 1 11 . 1 1 42 42 SER CB C 42 62.140 62.140 62.866 -0.726 18154 7908 1 11 . 1 1 42 42 SER H H 42 8.415 8.415 8.512 -0.097 18154 7909 1 11 . 1 1 43 43 ASP N N 43 119.770 119.770 120.409 -0.639 18154 7910 1 11 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.723 -0.266 18154 7911 1 11 . 1 1 43 43 ASP C C 43 176.150 176.150 176.227 -0.077 18154 7912 1 11 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.932 0.818 18154 7913 1 11 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.110 1.590 18154 7914 1 11 . 1 1 43 43 ASP H H 43 7.690 7.690 8.079 -0.389 18154 7915 1 11 . 1 1 44 44 TRP N N 44 118.500 118.500 121.401 -2.901 18154 7916 1 11 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.642 -0.432 18154 7917 1 11 . 1 1 44 44 TRP C C 44 177.150 177.150 177.377 -0.227 18154 7918 1 11 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.803 0.584 18154 7919 1 11 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.532 -0.222 18154 7920 1 11 . 1 1 44 44 TRP H H 44 7.464 7.464 7.725 -0.261 18154 7921 1 11 . 1 1 45 45 LEU N N 45 114.100 114.100 121.369 -7.269 18154 7922 1 11 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.063 0.112 18154 7923 1 11 . 1 1 45 45 LEU C C 45 176.300 176.300 175.624 0.676 18154 7924 1 11 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.286 -0.726 18154 7925 1 11 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.430 -0.210 18154 7926 1 11 . 1 1 45 45 LEU H H 45 7.550 7.550 8.384 -0.834 18154 7927 1 11 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.232 0.148 18154 7928 1 11 . 1 1 46 46 PRO C C 46 176.799 176.799 177.213 -0.414 18154 7929 1 11 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.709 0.578 18154 7930 1 11 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.183 0.417 18154 7931 1 11 . 1 1 47 47 TYR N N 47 113.790 113.790 115.869 -2.079 18154 7932 1 11 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.648 -0.528 18154 7933 1 11 . 1 1 47 47 TYR C C 47 175.730 175.730 177.822 -2.092 18154 7934 1 11 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.156 2.044 18154 7935 1 11 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.404 0.612 18154 7936 1 11 . 1 1 47 47 TYR H H 47 8.291 8.291 8.237 0.054 18154 7937 1 11 . 1 1 48 48 GLN N N 48 116.524 116.524 120.182 -3.658 18154 7938 1 11 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.930 -0.045 18154 7939 1 11 . 1 1 48 48 GLN C C 48 174.381 174.381 176.172 -1.791 18154 7940 1 11 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.680 0.146 18154 7941 1 11 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.800 2.200 18154 7942 1 11 . 1 1 48 48 GLN H H 48 7.300 7.300 7.438 -0.138 18154 7943 1 11 . 1 1 49 49 ASP N N 49 114.657 114.657 113.758 0.899 18154 7944 1 11 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.605 0.082 18154 7945 1 11 . 1 1 49 49 ASP C C 49 176.307 176.307 175.690 0.617 18154 7946 1 11 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.893 -2.158 18154 7947 1 11 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.165 -0.965 18154 7948 1 11 . 1 1 49 49 ASP H H 49 7.854 7.854 8.443 -0.589 18154 7949 1 11 . 1 1 50 50 LYS N N 50 123.514 123.514 119.274 4.240 18154 7950 1 11 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.312 0.278 18154 7951 1 11 . 1 1 50 50 LYS C C 50 172.964 172.964 175.437 -2.473 18154 7952 1 11 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.964 -1.270 18154 7953 1 11 . 1 1 50 50 LYS CB C 50 33.355 33.355 34.436 -1.081 18154 7954 1 11 . 1 1 50 50 LYS H H 50 7.833 7.833 7.104 0.729 18154 7955 1 11 . 1 1 51 51 TYR N N 51 118.375 118.375 115.773 2.602 18154 7956 1 11 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.619 0.436 18154 7957 1 11 . 1 1 51 51 TYR C C 51 175.875 175.875 175.978 -0.103 18154 7958 1 11 . 1 1 51 51 TYR CA C 51 56.421 56.421 56.861 -0.440 18154 7959 1 11 . 1 1 51 51 TYR CB C 51 42.477 42.477 41.863 0.614 18154 7960 1 11 . 1 1 51 51 TYR H H 51 7.745 7.745 8.357 -0.612 18154 7961 1 11 . 1 1 52 52 VAL N N 52 112.527 112.527 115.238 -2.711 18154 7962 1 11 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.962 0.538 18154 7963 1 11 . 1 1 52 52 VAL C C 52 173.910 173.910 174.059 -0.149 18154 7964 1 11 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.595 -1.899 18154 7965 1 11 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.320 1.172 18154 7966 1 11 . 1 1 52 52 VAL H H 52 8.673 8.673 8.518 0.155 18154 7967 1 11 . 1 1 53 53 LEU N N 53 124.294 124.294 124.092 0.202 18154 7968 1 11 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.116 -0.216 18154 7969 1 11 . 1 1 53 53 LEU C C 53 175.070 175.070 174.401 0.669 18154 7970 1 11 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.482 -0.916 18154 7971 1 11 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.436 -1.206 18154 7972 1 11 . 1 1 53 53 LEU H H 53 9.137 9.137 9.132 0.005 18154 7973 1 11 . 1 1 54 54 VAL N N 54 127.850 127.850 125.700 2.150 18154 7974 1 11 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.905 -0.395 18154 7975 1 11 . 1 1 54 54 VAL C C 54 174.030 174.030 174.494 -0.464 18154 7976 1 11 . 1 1 54 54 VAL CA C 54 61.825 61.825 60.478 1.347 18154 7977 1 11 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.862 -1.171 18154 7978 1 11 . 1 1 54 54 VAL H H 54 8.619 8.619 8.628 -0.009 18154 7979 1 11 . 1 1 55 55 VAL N N 55 127.181 127.181 127.271 -0.090 18154 7980 1 11 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.852 0.233 18154 7981 1 11 . 1 1 55 55 VAL C C 55 174.942 174.942 174.419 0.523 18154 7982 1 11 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.648 -0.579 18154 7983 1 11 . 1 1 55 55 VAL CB C 55 33.222 33.222 34.543 -1.321 18154 7984 1 11 . 1 1 55 55 VAL H H 55 8.578 8.578 8.602 -0.024 18154 7985 1 11 . 1 1 56 56 THR N N 56 117.420 117.420 120.783 -3.363 18154 7986 1 11 . 1 1 56 56 THR HA H 56 5.590 5.590 4.957 0.633 18154 7987 1 11 . 1 1 56 56 THR C C 56 172.640 172.640 173.112 -0.472 18154 7988 1 11 . 1 1 56 56 THR CA C 56 59.359 59.359 60.716 -1.357 18154 7989 1 11 . 1 1 56 56 THR CB C 56 70.715 70.715 70.788 -0.073 18154 7990 1 11 . 1 1 56 56 THR H H 56 8.710 8.710 8.646 0.064 18154 7991 1 11 . 1 1 57 57 SER HA H 57 5.250 5.250 5.064 0.186 18154 7992 1 11 . 1 1 57 57 SER CA C 57 57.730 57.730 58.873 -1.143 18154 7993 1 11 . 1 1 57 57 SER CB C 57 64.500 64.500 64.911 -0.411 18154 7994 1 11 . 1 1 57 57 SER H H 57 8.075 8.075 8.943 -0.868 18154 7995 1 11 . 1 1 58 58 THR H H 58 7.900 7.900 7.550 0.350 18154 7996 1 11 . 1 1 59 59 THR HA H 59 4.900 4.900 4.176 0.724 18154 7997 1 11 . 1 1 59 59 THR CA C 59 61.200 61.200 63.785 -2.585 18154 7998 1 11 . 1 1 59 59 THR CB C 59 73.400 73.400 68.927 4.473 18154 7999 1 11 . 1 1 59 59 THR H H 59 9.230 9.230 7.712 1.518 18154 8000 1 11 . 1 1 60 60 GLY CA C 60 46.500 46.500 44.730 1.770 18154 8001 1 11 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.068 0.338 18154 8002 1 11 . 1 1 61 61 GLN C C 61 175.950 175.950 176.488 -0.538 18154 8003 1 11 . 1 1 61 61 GLN CA C 61 55.350 55.350 57.530 -2.180 18154 8004 1 11 . 1 1 61 61 GLN CB C 61 29.160 29.160 28.723 0.437 18154 8005 1 11 . 1 1 62 62 GLY N N 62 108.420 108.420 103.431 4.989 18154 8006 1 11 . 1 1 62 62 GLY C C 62 173.134 173.134 172.838 0.296 18154 8007 1 11 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.567 1.217 18154 8008 1 11 . 1 1 62 62 GLY H H 62 8.073 8.073 8.165 -0.092 18154 8009 1 11 . 1 1 63 63 ASP N N 63 118.400 118.400 119.456 -1.056 18154 8010 1 11 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.574 0.206 18154 8011 1 11 . 1 1 63 63 ASP CA C 63 53.296 53.296 53.669 -0.373 18154 8012 1 11 . 1 1 63 63 ASP CB C 63 42.740 42.740 41.869 0.871 18154 8013 1 11 . 1 1 63 63 ASP H H 63 7.248 7.248 8.038 -0.790 18154 8014 1 11 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.526 -0.126 18154 8015 1 11 . 1 1 64 64 LEU CA C 64 53.150 53.150 52.386 0.764 18154 8016 1 11 . 1 1 64 64 LEU CB C 64 41.687 41.687 43.082 -1.395 18154 8017 1 11 . 1 1 64 64 LEU H H 64 8.445 8.445 8.214 0.231 18154 8018 1 11 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.477 -0.184 18154 8019 1 11 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.253 0.091 18154 8020 1 11 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.764 -0.284 18154 8021 1 11 . 1 1 66 66 ASP N N 66 121.200 121.200 120.751 0.449 18154 8022 1 11 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.335 -0.075 18154 8023 1 11 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.338 1.292 18154 8024 1 11 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.856 -0.056 18154 8025 1 11 . 1 1 66 66 ASP H H 66 8.605 8.605 8.383 0.222 18154 8026 1 11 . 1 1 67 67 SER HA H 67 4.292 4.292 4.437 -0.145 18154 8027 1 11 . 1 1 67 67 SER C C 67 175.650 175.650 174.889 0.761 18154 8028 1 11 . 1 1 67 67 SER CA C 67 60.500 60.500 59.920 0.580 18154 8029 1 11 . 1 1 67 67 SER CB C 67 63.530 63.530 63.789 -0.259 18154 8030 1 11 . 1 1 68 68 ILE N N 68 120.550 120.550 120.172 0.378 18154 8031 1 11 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.497 0.613 18154 8032 1 11 . 1 1 68 68 ILE C C 68 174.713 174.713 176.150 -1.437 18154 8033 1 11 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.525 -0.124 18154 8034 1 11 . 1 1 68 68 ILE CB C 68 43.240 43.240 40.164 3.076 18154 8035 1 11 . 1 1 68 68 ILE H H 68 7.870 7.870 7.864 0.006 18154 8036 1 11 . 1 1 69 69 VAL N N 69 125.740 125.740 123.928 1.812 18154 8037 1 11 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.764 -0.019 18154 8038 1 11 . 1 1 69 69 VAL C C 69 174.500 174.500 175.077 -0.577 18154 8039 1 11 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.271 -0.721 18154 8040 1 11 . 1 1 69 69 VAL CB C 69 30.130 30.130 28.799 1.331 18154 8041 1 11 . 1 1 69 69 VAL H H 69 7.428 7.428 8.306 -0.878 18154 8042 1 11 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.316 -0.024 18154 8043 1 11 . 1 1 70 70 PRO C C 70 180.820 180.820 179.126 1.694 18154 8044 1 11 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.064 0.406 18154 8045 1 11 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.178 -0.521 18154 8046 1 11 . 1 1 71 71 LEU N N 71 119.467 119.467 120.402 -0.935 18154 8047 1 11 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.009 -0.164 18154 8048 1 11 . 1 1 71 71 LEU C C 71 176.489 176.489 178.166 -1.677 18154 8049 1 11 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.939 0.268 18154 8050 1 11 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.623 -0.137 18154 8051 1 11 . 1 1 71 71 LEU H H 71 7.918 7.918 7.762 0.156 18154 8052 1 11 . 1 1 72 72 PHE N N 72 119.361 119.361 119.656 -0.295 18154 8053 1 11 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.371 -0.226 18154 8054 1 11 . 1 1 72 72 PHE C C 72 175.968 175.968 177.156 -1.188 18154 8055 1 11 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.830 -0.009 18154 8056 1 11 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.705 0.842 18154 8057 1 11 . 1 1 72 72 PHE H H 72 7.903 7.903 8.834 -0.931 18154 8058 1 11 . 1 1 73 73 GLN N N 73 116.100 116.100 116.894 -0.794 18154 8059 1 11 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.867 -0.340 18154 8060 1 11 . 1 1 73 73 GLN C C 73 177.871 177.871 178.696 -0.825 18154 8061 1 11 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.787 -0.647 18154 8062 1 11 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.158 -0.011 18154 8063 1 11 . 1 1 73 73 GLN H H 73 9.042 9.042 8.691 0.351 18154 8064 1 11 . 1 1 74 74 GLY N N 74 107.110 107.110 108.318 -1.208 18154 8065 1 11 . 1 1 74 74 GLY C C 74 175.894 175.894 176.463 -0.569 18154 8066 1 11 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.925 0.355 18154 8067 1 11 . 1 1 74 74 GLY H H 74 8.045 8.045 8.265 -0.220 18154 8068 1 11 . 1 1 75 75 ILE N N 75 123.629 123.629 122.756 0.873 18154 8069 1 11 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.372 -0.322 18154 8070 1 11 . 1 1 75 75 ILE C C 75 178.622 178.622 177.168 1.454 18154 8071 1 11 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.844 0.413 18154 8072 1 11 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.521 0.447 18154 8073 1 11 . 1 1 75 75 ILE H H 75 8.174 8.174 8.044 0.130 18154 8074 1 11 . 1 1 76 76 LYS N N 76 119.363 119.363 118.633 0.730 18154 8075 1 11 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.750 -0.445 18154 8076 1 11 . 1 1 76 76 LYS C C 76 177.909 177.909 178.347 -0.438 18154 8077 1 11 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.283 0.422 18154 8078 1 11 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.868 0.482 18154 8079 1 11 . 1 1 76 76 LYS H H 76 7.600 7.600 7.480 0.120 18154 8080 1 11 . 1 1 77 77 ASP N N 77 115.190 115.190 118.136 -2.946 18154 8081 1 11 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.519 -0.037 18154 8082 1 11 . 1 1 77 77 ASP C C 77 178.825 178.825 178.309 0.516 18154 8083 1 11 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.351 -0.071 18154 8084 1 11 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.729 -0.539 18154 8085 1 11 . 1 1 77 77 ASP H H 77 8.482 8.482 8.299 0.183 18154 8086 1 11 . 1 1 78 78 SER N N 78 112.576 112.576 116.069 -3.493 18154 8087 1 11 . 1 1 78 78 SER HA H 78 4.728 4.728 4.398 0.330 18154 8088 1 11 . 1 1 78 78 SER C C 78 174.556 174.556 175.000 -0.444 18154 8089 1 11 . 1 1 78 78 SER CA C 78 60.045 60.045 60.456 -0.411 18154 8090 1 11 . 1 1 78 78 SER CB C 78 64.643 64.643 63.891 0.752 18154 8091 1 11 . 1 1 78 78 SER H H 78 8.273 8.273 7.960 0.313 18154 8092 1 11 . 1 1 79 79 LEU N N 79 120.833 120.833 121.051 -0.218 18154 8093 1 11 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.394 0.421 18154 8094 1 11 . 1 1 79 79 LEU C C 79 176.251 176.251 178.776 -2.525 18154 8095 1 11 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.541 -2.581 18154 8096 1 11 . 1 1 79 79 LEU CB C 79 39.196 39.196 41.998 -2.802 18154 8097 1 11 . 1 1 79 79 LEU H H 79 7.025 7.025 7.640 -0.615 18154 8098 1 11 . 1 1 80 80 GLY N N 80 108.861 108.861 106.754 2.107 18154 8099 1 11 . 1 1 80 80 GLY C C 80 173.623 173.623 173.549 0.074 18154 8100 1 11 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.374 -0.145 18154 8101 1 11 . 1 1 80 80 GLY H H 80 7.499 7.499 8.183 -0.684 18154 8102 1 11 . 1 1 81 81 PHE N N 81 121.441 121.441 119.923 1.518 18154 8103 1 11 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.997 0.063 18154 8104 1 11 . 1 1 81 81 PHE C C 81 174.411 174.411 172.558 1.853 18154 8105 1 11 . 1 1 81 81 PHE CA C 81 57.211 57.211 56.311 0.900 18154 8106 1 11 . 1 1 81 81 PHE CB C 81 40.620 40.620 42.054 -1.434 18154 8107 1 11 . 1 1 81 81 PHE H H 81 8.018 8.018 7.533 0.485 18154 8108 1 11 . 1 1 82 82 GLN N N 82 126.480 126.480 123.233 3.247 18154 8109 1 11 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.585 0.305 18154 8110 1 11 . 1 1 82 82 GLN C C 82 172.700 172.700 173.438 -0.738 18154 8111 1 11 . 1 1 82 82 GLN CA C 82 54.177 54.177 51.788 2.389 18154 8112 1 11 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.518 2.082 18154 8113 1 11 . 1 1 82 82 GLN H H 82 9.588 9.588 7.299 2.289 18154 8114 1 11 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.118 0.255 18154 8115 1 11 . 1 1 83 83 PRO C C 83 178.163 178.163 176.544 1.619 18154 8116 1 11 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.304 -0.613 18154 8117 1 11 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.487 -0.622 18154 8118 1 11 . 1 1 84 84 ASN N N 84 116.900 116.900 113.908 2.992 18154 8119 1 11 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.823 -0.054 18154 8120 1 11 . 1 1 84 84 ASN C C 84 173.332 173.332 173.647 -0.315 18154 8121 1 11 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.581 -0.021 18154 8122 1 11 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.539 -1.279 18154 8123 1 11 . 1 1 84 84 ASN H H 84 8.578 8.578 8.126 0.452 18154 8124 1 11 . 1 1 85 85 LEU N N 85 124.380 124.380 122.692 1.688 18154 8125 1 11 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.191 -0.145 18154 8126 1 11 . 1 1 85 85 LEU C C 85 175.880 175.880 175.727 0.153 18154 8127 1 11 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.627 1.215 18154 8128 1 11 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.171 -0.871 18154 8129 1 11 . 1 1 85 85 LEU H H 85 7.240 7.240 7.583 -0.343 18154 8130 1 11 . 1 1 86 86 ARG N N 86 128.715 128.715 123.870 4.845 18154 8131 1 11 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.368 0.426 18154 8132 1 11 . 1 1 86 86 ARG C C 86 175.554 175.554 174.993 0.561 18154 8133 1 11 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.581 0.861 18154 8134 1 11 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.920 -1.047 18154 8135 1 11 . 1 1 86 86 ARG H H 86 7.732 7.732 7.962 -0.230 18154 8136 1 11 . 1 1 87 87 TYR N N 87 117.420 117.420 120.458 -3.038 18154 8137 1 11 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.600 1.165 18154 8138 1 11 . 1 1 87 87 TYR C C 87 172.931 172.931 173.179 -0.248 18154 8139 1 11 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.548 -1.287 18154 8140 1 11 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.785 3.153 18154 8141 1 11 . 1 1 87 87 TYR H H 87 8.783 8.783 8.373 0.410 18154 8142 1 11 . 1 1 88 88 GLY N N 88 107.765 107.765 105.787 1.978 18154 8143 1 11 . 1 1 88 88 GLY C C 88 172.621 172.621 171.173 1.448 18154 8144 1 11 . 1 1 88 88 GLY CA C 88 43.861 43.861 43.173 0.688 18154 8145 1 11 . 1 1 88 88 GLY H H 88 8.905 8.905 8.292 0.613 18154 8146 1 11 . 1 1 89 89 VAL N N 89 118.180 118.180 118.484 -0.304 18154 8147 1 11 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.540 0.461 18154 8148 1 11 . 1 1 89 89 VAL C C 89 172.939 172.939 173.726 -0.787 18154 8149 1 11 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.862 0.137 18154 8150 1 11 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.774 0.624 18154 8151 1 11 . 1 1 89 89 VAL H H 89 7.499 7.499 8.201 -0.702 18154 8152 1 11 . 1 1 90 90 ILE N N 90 125.000 125.000 125.672 -0.672 18154 8153 1 11 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.022 0.105 18154 8154 1 11 . 1 1 90 90 ILE C C 90 173.099 173.099 173.755 -0.656 18154 8155 1 11 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.611 0.877 18154 8156 1 11 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.053 0.345 18154 8157 1 11 . 1 1 90 90 ILE H H 90 8.810 8.810 8.693 0.117 18154 8158 1 11 . 1 1 91 91 ALA N N 91 129.036 129.036 129.743 -0.707 18154 8159 1 11 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.132 0.194 18154 8160 1 11 . 1 1 91 91 ALA C C 91 174.000 174.000 175.733 -1.733 18154 8161 1 11 . 1 1 91 91 ALA CA C 91 49.000 49.000 50.024 -1.024 18154 8162 1 11 . 1 1 91 91 ALA CB C 91 22.100 22.100 20.882 1.218 18154 8163 1 11 . 1 1 91 91 ALA H H 91 9.253 9.253 8.906 0.347 18154 8164 1 11 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.168 -0.237 18154 8165 1 11 . 1 1 92 92 LEU C C 92 177.366 177.366 177.300 0.066 18154 8166 1 11 . 1 1 92 92 LEU CA C 92 54.917 54.917 53.950 0.967 18154 8167 1 11 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.023 -2.623 18154 8168 1 11 . 1 1 93 93 GLY N N 93 110.663 110.663 109.156 1.507 18154 8169 1 11 . 1 1 93 93 GLY C C 93 172.029 172.029 172.048 -0.019 18154 8170 1 11 . 1 1 93 93 GLY CA C 93 45.730 45.730 46.207 -0.477 18154 8171 1 11 . 1 1 93 93 GLY H H 93 8.687 8.687 8.860 -0.173 18154 8172 1 11 . 1 1 94 94 ASP N N 94 119.304 119.304 121.083 -1.779 18154 8173 1 11 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.545 -0.285 18154 8174 1 11 . 1 1 94 94 ASP C C 94 176.978 176.978 176.761 0.217 18154 8175 1 11 . 1 1 94 94 ASP CA C 94 53.607 53.607 51.954 1.653 18154 8176 1 11 . 1 1 94 94 ASP CB C 94 43.000 43.000 42.739 0.261 18154 8177 1 11 . 1 1 94 94 ASP H H 94 8.129 8.129 8.547 -0.418 18154 8178 1 11 . 1 1 95 95 SER N N 95 123.897 123.897 122.160 1.737 18154 8179 1 11 . 1 1 95 95 SER HA H 95 3.895 3.895 4.165 -0.270 18154 8180 1 11 . 1 1 95 95 SER C C 95 175.243 175.243 175.364 -0.121 18154 8181 1 11 . 1 1 95 95 SER CA C 95 60.183 60.183 58.912 1.271 18154 8182 1 11 . 1 1 95 95 SER CB C 95 61.700 61.700 62.429 -0.729 18154 8183 1 11 . 1 1 95 95 SER H H 95 8.878 8.878 9.325 -0.447 18154 8184 1 11 . 1 1 96 96 SER N N 96 119.248 119.248 116.902 2.346 18154 8185 1 11 . 1 1 96 96 SER HA H 96 4.209 4.209 4.268 -0.059 18154 8186 1 11 . 1 1 96 96 SER C C 96 173.900 173.900 174.812 -0.912 18154 8187 1 11 . 1 1 96 96 SER CA C 96 60.197 60.197 59.592 0.605 18154 8188 1 11 . 1 1 96 96 SER CB C 96 63.000 63.000 63.529 -0.529 18154 8189 1 11 . 1 1 96 96 SER H H 96 9.124 9.124 8.249 0.875 18154 8190 1 11 . 1 1 97 97 TYR N N 97 120.889 120.889 121.108 -0.219 18154 8191 1 11 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.431 0.457 18154 8192 1 11 . 1 1 97 97 TYR C C 97 175.972 175.972 177.739 -1.767 18154 8193 1 11 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.558 -2.808 18154 8194 1 11 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.045 0.775 18154 8195 1 11 . 1 1 97 97 TYR H H 97 7.664 7.664 7.767 -0.103 18154 8196 1 11 . 1 1 98 98 VAL N N 98 116.952 116.952 121.926 -4.974 18154 8197 1 11 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.820 0.240 18154 8198 1 11 . 1 1 98 98 VAL C C 98 175.969 175.969 176.226 -0.257 18154 8199 1 11 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.266 -2.425 18154 8200 1 11 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.494 1.106 18154 8201 1 11 . 1 1 98 98 VAL H H 98 7.970 7.970 8.692 -0.722 18154 8202 1 11 . 1 1 99 99 ASN N N 99 118.156 118.156 117.575 0.581 18154 8203 1 11 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.929 -0.418 18154 8204 1 11 . 1 1 99 99 ASN C C 99 174.329 174.329 175.900 -1.571 18154 8205 1 11 . 1 1 99 99 ASN CA C 99 53.031 53.031 52.740 0.291 18154 8206 1 11 . 1 1 99 99 ASN CB C 99 37.238 37.238 38.964 -1.726 18154 8207 1 11 . 1 1 99 99 ASN H H 99 8.296 8.296 8.194 0.102 18154 8208 1 11 . 1 1 100 100 PHE N N 100 118.649 118.649 120.168 -1.519 18154 8209 1 11 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.203 0.212 18154 8210 1 11 . 1 1 100 100 PHE C C 100 174.400 174.400 175.818 -1.418 18154 8211 1 11 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.533 -3.343 18154 8212 1 11 . 1 1 100 100 PHE CB C 100 39.679 39.679 37.863 1.816 18154 8213 1 11 . 1 1 100 100 PHE H H 100 7.855 7.855 7.761 0.094 18154 8214 1 11 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.190 -0.605 18154 8215 1 11 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.865 4.875 18154 8216 1 11 . 1 1 101 101 CYS CB C 101 26.000 26.000 26.998 -0.998 18154 8217 1 11 . 1 1 101 101 CYS H H 101 9.240 9.240 8.047 1.193 18154 8218 1 11 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.388 -0.168 18154 8219 1 11 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.957 0.243 18154 8220 1 11 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.651 -0.051 18154 8221 1 11 . 1 1 102 102 ASN H H 102 8.300 8.300 8.490 -0.190 18154 8222 1 11 . 1 1 103 103 GLY C C 103 175.690 175.690 175.888 -0.198 18154 8223 1 11 . 1 1 103 103 GLY CA C 103 47.350 47.350 46.923 0.427 18154 8224 1 11 . 1 1 104 104 GLY N N 104 106.150 106.150 109.676 -3.526 18154 8225 1 11 . 1 1 104 104 GLY C C 104 174.570 174.570 176.184 -1.614 18154 8226 1 11 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.370 0.980 18154 8227 1 11 . 1 1 104 104 GLY H H 104 7.108 7.108 7.700 -0.592 18154 8228 1 11 . 1 1 105 105 LYS N N 105 120.732 120.732 122.433 -1.701 18154 8229 1 11 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.955 -0.018 18154 8230 1 11 . 1 1 105 105 LYS C C 105 179.706 179.706 179.031 0.675 18154 8231 1 11 . 1 1 105 105 LYS CA C 105 60.308 60.308 60.004 0.304 18154 8232 1 11 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.278 -0.480 18154 8233 1 11 . 1 1 105 105 LYS H H 105 7.708 7.708 7.634 0.074 18154 8234 1 11 . 1 1 106 106 GLN N N 106 119.087 119.087 118.931 0.156 18154 8235 1 11 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.094 0.048 18154 8236 1 11 . 1 1 106 106 GLN C C 106 179.418 179.418 178.763 0.655 18154 8237 1 11 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.881 -0.006 18154 8238 1 11 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.560 0.199 18154 8239 1 11 . 1 1 106 106 GLN H H 106 8.738 8.738 8.447 0.291 18154 8240 1 11 . 1 1 107 107 PHE N N 107 123.088 123.088 120.081 3.007 18154 8241 1 11 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.405 -0.155 18154 8242 1 11 . 1 1 107 107 PHE C C 107 178.403 178.403 177.698 0.705 18154 8243 1 11 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.995 0.190 18154 8244 1 11 . 1 1 107 107 PHE CB C 107 39.451 39.451 39.192 0.259 18154 8245 1 11 . 1 1 107 107 PHE H H 107 7.922 7.922 7.914 0.008 18154 8246 1 11 . 1 1 108 108 ASP N N 108 117.118 117.118 120.456 -3.338 18154 8247 1 11 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.656 -0.282 18154 8248 1 11 . 1 1 108 108 ASP C C 108 176.973 176.973 178.382 -1.409 18154 8249 1 11 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.420 1.009 18154 8250 1 11 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.022 3.101 18154 8251 1 11 . 1 1 108 108 ASP H H 108 8.305 8.305 8.326 -0.021 18154 8252 1 11 . 1 1 109 109 ALA N N 109 118.590 118.590 122.219 -3.629 18154 8253 1 11 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.138 -0.088 18154 8254 1 11 . 1 1 109 109 ALA C C 109 180.430 180.430 179.753 0.677 18154 8255 1 11 . 1 1 109 109 ALA CA C 109 55.196 55.196 54.861 0.335 18154 8256 1 11 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.376 -0.269 18154 8257 1 11 . 1 1 109 109 ALA H H 109 8.332 8.332 8.267 0.065 18154 8258 1 11 . 1 1 110 110 LEU N N 110 120.402 120.402 120.438 -0.036 18154 8259 1 11 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.833 0.252 18154 8260 1 11 . 1 1 110 110 LEU C C 110 177.801 177.801 178.844 -1.043 18154 8261 1 11 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.510 0.130 18154 8262 1 11 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.928 0.828 18154 8263 1 11 . 1 1 110 110 LEU H H 110 7.868 7.868 7.722 0.146 18154 8264 1 11 . 1 1 111 111 LEU N N 111 116.945 116.945 117.195 -0.250 18154 8265 1 11 . 1 1 111 111 LEU HA H 111 3.718 3.718 4.087 -0.369 18154 8266 1 11 . 1 1 111 111 LEU C C 111 179.838 179.838 179.857 -0.019 18154 8267 1 11 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.429 0.536 18154 8268 1 11 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.288 -2.428 18154 8269 1 11 . 1 1 111 111 LEU H H 111 7.704 7.704 7.429 0.275 18154 8270 1 11 . 1 1 112 112 GLN N N 112 118.484 118.484 116.637 1.847 18154 8271 1 11 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.117 0.024 18154 8272 1 11 . 1 1 112 112 GLN C C 112 181.218 181.218 177.975 3.243 18154 8273 1 11 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.620 1.346 18154 8274 1 11 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.236 1.024 18154 8275 1 11 . 1 1 112 112 GLN H H 112 8.441 8.441 7.937 0.504 18154 8276 1 11 . 1 1 113 113 GLU N N 113 122.905 122.905 116.061 6.844 18154 8277 1 11 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.143 0.038 18154 8278 1 11 . 1 1 113 113 GLU C C 113 178.001 178.001 177.179 0.822 18154 8279 1 11 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.538 1.447 18154 8280 1 11 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.469 -0.199 18154 8281 1 11 . 1 1 113 113 GLU H H 113 8.305 8.305 7.798 0.507 18154 8282 1 11 . 1 1 114 114 GLN N N 114 117.332 117.332 117.833 -0.501 18154 8283 1 11 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.313 0.282 18154 8284 1 11 . 1 1 114 114 GLN C C 114 174.538 174.538 176.637 -2.099 18154 8285 1 11 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.237 -0.820 18154 8286 1 11 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.784 -4.954 18154 8287 1 11 . 1 1 114 114 GLN H H 114 7.520 7.520 7.470 0.050 18154 8288 1 11 . 1 1 115 115 SER N N 115 109.100 109.100 109.728 -0.628 18154 8289 1 11 . 1 1 115 115 SER HA H 115 4.200 4.200 4.514 -0.314 18154 8290 1 11 . 1 1 115 115 SER C C 115 172.302 172.302 173.564 -1.262 18154 8291 1 11 . 1 1 115 115 SER CA C 115 60.400 60.400 58.496 1.904 18154 8292 1 11 . 1 1 115 115 SER CB C 115 61.325 61.325 66.101 -4.776 18154 8293 1 11 . 1 1 115 115 SER H H 115 7.950 7.950 8.036 -0.086 18154 8294 1 11 . 1 1 116 116 ALA N N 116 121.059 121.059 125.855 -4.796 18154 8295 1 11 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.231 0.563 18154 8296 1 11 . 1 1 116 116 ALA C C 116 176.774 176.774 175.687 1.087 18154 8297 1 11 . 1 1 116 116 ALA CA C 116 51.690 51.690 51.960 -0.270 18154 8298 1 11 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.691 0.674 18154 8299 1 11 . 1 1 116 116 ALA H H 116 7.813 7.813 7.808 0.005 18154 8300 1 11 . 1 1 117 117 GLN N N 117 118.000 118.000 118.162 -0.162 18154 8301 1 11 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.670 -0.052 18154 8302 1 11 . 1 1 117 117 GLN C C 117 173.769 173.769 175.188 -1.419 18154 8303 1 11 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.287 0.269 18154 8304 1 11 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.254 -0.519 18154 8305 1 11 . 1 1 117 117 GLN H H 117 8.591 8.591 8.251 0.340 18154 8306 1 11 . 1 1 118 118 ARG N N 118 127.947 127.947 121.717 6.230 18154 8307 1 11 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.276 -1.968 18154 8308 1 11 . 1 1 118 118 ARG C C 118 176.758 176.758 175.536 1.222 18154 8309 1 11 . 1 1 118 118 ARG CA C 118 56.186 56.186 54.848 1.338 18154 8310 1 11 . 1 1 118 118 ARG CB C 118 30.310 30.310 33.423 -3.113 18154 8311 1 11 . 1 1 118 118 ARG H H 118 8.659 8.659 8.680 -0.021 18154 8312 1 11 . 1 1 119 119 VAL N N 119 131.939 131.939 120.915 11.024 18154 8313 1 11 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.498 -0.385 18154 8314 1 11 . 1 1 119 119 VAL C C 119 176.775 176.775 175.933 0.842 18154 8315 1 11 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.445 0.729 18154 8316 1 11 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.756 -1.362 18154 8317 1 11 . 1 1 119 119 VAL H H 119 9.520 9.520 8.801 0.719 18154 8318 1 11 . 1 1 120 120 GLY N N 120 116.074 116.074 114.954 1.120 18154 8319 1 11 . 1 1 120 120 GLY C C 120 172.757 172.757 173.503 -0.746 18154 8320 1 11 . 1 1 120 120 GLY CA C 120 43.898 43.898 44.951 -1.053 18154 8321 1 11 . 1 1 120 120 GLY H H 120 8.755 8.755 8.549 0.206 18154 8322 1 11 . 1 1 121 121 GLU N N 121 118.754 118.754 120.003 -1.249 18154 8323 1 11 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.771 -0.105 18154 8324 1 11 . 1 1 121 121 GLU C C 121 177.419 177.419 176.843 0.576 18154 8325 1 11 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.878 -0.387 18154 8326 1 11 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.911 0.587 18154 8327 1 11 . 1 1 121 121 GLU H H 121 8.594 8.594 8.551 0.043 18154 8328 1 11 . 1 1 122 122 MET N N 122 122.642 122.642 120.204 2.438 18154 8329 1 11 . 1 1 122 122 MET HA H 122 4.415 4.415 4.991 -0.576 18154 8330 1 11 . 1 1 122 122 MET C C 122 175.351 175.351 174.896 0.455 18154 8331 1 11 . 1 1 122 122 MET CA C 122 57.024 57.024 54.586 2.438 18154 8332 1 11 . 1 1 122 122 MET CB C 122 34.210 34.210 33.626 0.584 18154 8333 1 11 . 1 1 122 122 MET H H 122 8.892 8.892 8.561 0.331 18154 8334 1 11 . 1 1 123 123 LEU N N 123 129.535 129.535 121.354 8.181 18154 8335 1 11 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.415 -0.065 18154 8336 1 11 . 1 1 123 123 LEU C C 123 173.124 173.124 174.705 -1.581 18154 8337 1 11 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.081 0.658 18154 8338 1 11 . 1 1 123 123 LEU CB C 123 41.078 41.078 43.476 -2.398 18154 8339 1 11 . 1 1 123 123 LEU H H 123 7.868 7.868 7.304 0.564 18154 8340 1 11 . 1 1 124 124 LEU N N 124 127.120 127.120 125.747 1.373 18154 8341 1 11 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.636 0.419 18154 8342 1 11 . 1 1 124 124 LEU C C 124 176.379 176.379 176.162 0.217 18154 8343 1 11 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.080 0.470 18154 8344 1 11 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.520 -1.142 18154 8345 1 11 . 1 1 124 124 LEU H H 124 8.346 8.346 8.246 0.100 18154 8346 1 11 . 1 1 125 125 ILE N N 125 124.337 124.337 125.060 -0.723 18154 8347 1 11 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.342 -0.162 18154 8348 1 11 . 1 1 125 125 ILE C C 125 174.303 174.303 175.047 -0.744 18154 8349 1 11 . 1 1 125 125 ILE CA C 125 61.100 61.100 61.769 -0.669 18154 8350 1 11 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.059 -0.116 18154 8351 1 11 . 1 1 125 125 ILE H H 125 8.974 8.974 8.594 0.380 18154 8352 1 11 . 1 1 126 126 ASP N N 126 127.113 127.113 128.685 -1.572 18154 8353 1 11 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.470 -0.355 18154 8354 1 11 . 1 1 126 126 ASP C C 126 176.766 176.766 176.234 0.532 18154 8355 1 11 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.016 -0.169 18154 8356 1 11 . 1 1 126 126 ASP CB C 126 41.100 41.100 42.262 -1.162 18154 8357 1 11 . 1 1 126 126 ASP H H 126 9.397 9.397 8.425 0.972 18154 8358 1 11 . 1 1 127 127 ALA N N 127 131.178 131.178 130.899 0.279 18154 8359 1 11 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.640 -0.324 18154 8360 1 11 . 1 1 127 127 ALA C C 127 178.530 178.530 178.709 -0.179 18154 8361 1 11 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.038 -0.191 18154 8362 1 11 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.182 -0.390 18154 8363 1 11 . 1 1 127 127 ALA H H 127 9.696 9.696 9.182 0.514 18154 8364 1 11 . 1 1 128 128 SER N N 128 112.064 112.064 112.122 -0.058 18154 8365 1 11 . 1 1 128 128 SER HA H 128 4.224 4.224 4.313 -0.089 18154 8366 1 11 . 1 1 128 128 SER C C 128 175.000 175.000 174.956 0.044 18154 8367 1 11 . 1 1 128 128 SER CA C 128 61.246 61.246 60.540 0.706 18154 8368 1 11 . 1 1 128 128 SER CB C 128 63.310 63.310 63.587 -0.277 18154 8369 1 11 . 1 1 128 128 SER H H 128 8.373 8.373 8.059 0.314 18154 8370 1 11 . 1 1 129 129 GLU N N 129 119.468 119.468 119.913 -0.445 18154 8371 1 11 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.344 0.056 18154 8372 1 11 . 1 1 129 129 GLU C C 129 175.947 175.947 176.198 -0.251 18154 8373 1 11 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.867 -0.452 18154 8374 1 11 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.608 0.122 18154 8375 1 11 . 1 1 129 129 GLU H H 129 7.267 7.267 7.676 -0.409 18154 8376 1 11 . 1 1 130 130 ASN N N 130 115.968 115.968 117.449 -1.481 18154 8377 1 11 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.062 0.104 18154 8378 1 11 . 1 1 130 130 ASN C C 130 172.000 172.000 173.671 -1.671 18154 8379 1 11 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.896 -0.673 18154 8380 1 11 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.911 -0.245 18154 8381 1 11 . 1 1 130 130 ASN H H 130 8.072 8.072 8.100 -0.028 18154 8382 1 11 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.496 0.054 18154 8383 1 11 . 1 1 131 131 PRO C C 131 176.400 176.400 176.079 0.321 18154 8384 1 11 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.274 0.226 18154 8385 1 11 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.931 0.369 18154 8386 1 11 . 1 1 132 132 GLU N N 132 119.000 119.000 118.479 0.521 18154 8387 1 11 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.707 0.313 18154 8388 1 11 . 1 1 132 132 GLU C C 132 174.200 174.200 175.570 -1.370 18154 8389 1 11 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.263 -0.263 18154 8390 1 11 . 1 1 132 132 GLU CB C 132 29.700 29.700 28.612 1.088 18154 8391 1 11 . 1 1 132 132 GLU H H 132 7.690 7.690 8.359 -0.669 18154 8392 1 11 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.221 -0.221 18154 8393 1 11 . 1 1 133 133 PRO C C 133 177.391 177.391 178.189 -0.798 18154 8394 1 11 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.118 0.351 18154 8395 1 11 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.796 0.349 18154 8396 1 11 . 1 1 134 134 GLU N N 134 122.846 122.846 117.772 5.074 18154 8397 1 11 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.108 1.112 18154 8398 1 11 . 1 1 134 134 GLU C C 134 178.385 178.385 178.560 -0.175 18154 8399 1 11 . 1 1 134 134 GLU CA C 134 57.592 57.592 58.941 -1.349 18154 8400 1 11 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.346 -1.756 18154 8401 1 11 . 1 1 134 134 GLU H H 134 10.707 10.707 8.646 2.061 18154 8402 1 11 . 1 1 135 135 THR N N 135 113.016 113.016 111.102 1.914 18154 8403 1 11 . 1 1 135 135 THR HA H 135 4.182 4.182 4.169 0.013 18154 8404 1 11 . 1 1 135 135 THR C C 135 176.460 176.460 176.060 0.400 18154 8405 1 11 . 1 1 135 135 THR CA C 135 64.752 64.752 65.034 -0.282 18154 8406 1 11 . 1 1 135 135 THR CB C 135 69.248 69.248 68.802 0.446 18154 8407 1 11 . 1 1 135 135 THR H H 135 8.168 8.168 8.234 -0.066 18154 8408 1 11 . 1 1 136 136 GLU N N 136 118.978 118.978 121.741 -2.763 18154 8409 1 11 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.381 0.183 18154 8410 1 11 . 1 1 136 136 GLU C C 136 178.370 178.370 178.600 -0.230 18154 8411 1 11 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.497 -1.584 18154 8412 1 11 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.513 1.587 18154 8413 1 11 . 1 1 136 136 GLU H H 136 7.680 7.680 7.714 -0.034 18154 8414 1 11 . 1 1 137 137 SER N N 137 116.501 116.501 115.692 0.809 18154 8415 1 11 . 1 1 137 137 SER HA H 137 4.033 4.033 4.205 -0.172 18154 8416 1 11 . 1 1 137 137 SER C C 137 175.670 175.670 176.590 -0.920 18154 8417 1 11 . 1 1 137 137 SER CA C 137 62.330 62.330 61.871 0.459 18154 8418 1 11 . 1 1 137 137 SER CB C 137 61.380 61.380 63.079 -1.699 18154 8419 1 11 . 1 1 137 137 SER H H 137 8.824 8.824 8.243 0.581 18154 8420 1 11 . 1 1 138 138 ASN N N 138 123.517 123.517 121.337 2.180 18154 8421 1 11 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.715 -0.124 18154 8422 1 11 . 1 1 138 138 ASN C C 138 175.700 175.700 175.326 0.374 18154 8423 1 11 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.950 -0.464 18154 8424 1 11 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.122 -2.869 18154 8425 1 11 . 1 1 138 138 ASN H H 138 8.564 8.564 8.476 0.088 18154 8426 1 11 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.340 0.115 18154 8427 1 11 . 1 1 139 139 PRO C C 139 180.033 180.033 178.345 1.688 18154 8428 1 11 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.148 0.462 18154 8429 1 11 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.291 -0.755 18154 8430 1 11 . 1 1 140 140 TRP N N 140 119.700 119.700 121.911 -2.211 18154 8431 1 11 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.398 -0.065 18154 8432 1 11 . 1 1 140 140 TRP C C 140 179.195 179.195 177.920 1.275 18154 8433 1 11 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.828 0.353 18154 8434 1 11 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.538 1.212 18154 8435 1 11 . 1 1 140 140 TRP H H 140 7.057 7.057 7.467 -0.410 18154 8436 1 11 . 1 1 141 141 VAL N N 141 122.879 122.879 119.138 3.741 18154 8437 1 11 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.719 0.017 18154 8438 1 11 . 1 1 141 141 VAL C C 141 177.416 177.416 178.583 -1.167 18154 8439 1 11 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.133 -0.417 18154 8440 1 11 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.602 -0.170 18154 8441 1 11 . 1 1 141 141 VAL H H 141 9.629 9.629 8.876 0.753 18154 8442 1 11 . 1 1 142 142 GLU N N 142 119.965 119.965 119.534 0.431 18154 8443 1 11 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.119 -0.387 18154 8444 1 11 . 1 1 142 142 GLU C C 142 178.800 178.800 178.508 0.292 18154 8445 1 11 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.150 0.182 18154 8446 1 11 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.392 0.168 18154 8447 1 11 . 1 1 142 142 GLU H H 142 8.551 8.551 8.235 0.316 18154 8448 1 11 . 1 1 143 143 GLN N N 143 115.364 115.364 118.817 -3.453 18154 8449 1 11 . 1 1 143 143 GLN HA H 143 4.290 4.290 4.127 0.163 18154 8450 1 11 . 1 1 143 143 GLN C C 143 177.840 177.840 178.235 -0.395 18154 8451 1 11 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.135 1.228 18154 8452 1 11 . 1 1 143 143 GLN CB C 143 29.362 29.362 29.102 0.260 18154 8453 1 11 . 1 1 143 143 GLN H H 143 7.380 7.380 7.595 -0.215 18154 8454 1 11 . 1 1 144 144 TRP N N 144 126.680 126.680 122.873 3.807 18154 8455 1 11 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.932 -0.598 18154 8456 1 11 . 1 1 144 144 TRP C C 144 178.200 178.200 178.430 -0.230 18154 8457 1 11 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.493 2.467 18154 8458 1 11 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.388 0.137 18154 8459 1 11 . 1 1 144 144 TRP H H 144 9.215 9.215 8.634 0.581 18154 8460 1 11 . 1 1 145 145 GLY N N 145 100.130 100.130 105.258 -5.128 18154 8461 1 11 . 1 1 145 145 GLY C C 145 177.391 177.391 175.638 1.753 18154 8462 1 11 . 1 1 145 145 GLY CA C 145 46.760 46.760 46.998 -0.238 18154 8463 1 11 . 1 1 145 145 GLY H H 145 8.834 8.834 8.624 0.210 18154 8464 1 11 . 1 1 146 146 THR N N 146 110.831 110.831 112.713 -1.882 18154 8465 1 11 . 1 1 146 146 THR HA H 146 4.319 4.319 4.089 0.230 18154 8466 1 11 . 1 1 146 146 THR C C 146 175.574 175.574 175.579 -0.005 18154 8467 1 11 . 1 1 146 146 THR CA C 146 63.260 63.260 63.811 -0.551 18154 8468 1 11 . 1 1 146 146 THR CB C 146 69.660 69.660 68.802 0.858 18154 8469 1 11 . 1 1 146 146 THR H H 146 7.594 7.594 7.741 -0.147 18154 8470 1 11 . 1 1 147 147 LEU N N 147 120.678 120.678 120.410 0.268 18154 8471 1 11 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.102 -0.044 18154 8472 1 11 . 1 1 147 147 LEU C C 147 177.176 177.176 177.091 0.085 18154 8473 1 11 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.657 -1.343 18154 8474 1 11 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.591 -0.363 18154 8475 1 11 . 1 1 147 147 LEU H H 147 7.458 7.458 7.396 0.062 18154 8476 1 11 . 1 1 148 148 LEU N N 148 117.062 117.062 118.510 -1.448 18154 8477 1 11 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.623 0.095 18154 8478 1 11 . 1 1 148 148 LEU C C 148 175.570 175.570 176.933 -1.363 18154 8479 1 11 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.066 -0.115 18154 8480 1 11 . 1 1 148 148 LEU CB C 148 39.600 39.600 40.731 -1.131 18154 8481 1 11 . 1 1 148 148 LEU H H 148 6.482 6.482 6.865 -0.383 18154 8482 1 12 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.694 -0.465 18154 8483 1 12 . 1 1 2 2 ALA C C 2 173.315 173.315 175.498 -2.183 18154 8484 1 12 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.786 -0.206 18154 8485 1 12 . 1 1 2 2 ALA CB C 2 20.223 20.223 20.294 -0.071 18154 8486 1 12 . 1 1 3 3 GLU N N 3 121.874 121.874 119.855 2.019 18154 8487 1 12 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.545 -0.271 18154 8488 1 12 . 1 1 3 3 GLU C C 3 174.545 174.545 175.554 -1.009 18154 8489 1 12 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.487 0.363 18154 8490 1 12 . 1 1 3 3 GLU CB C 3 31.720 31.720 31.914 -0.194 18154 8491 1 12 . 1 1 3 3 GLU H H 3 8.696 8.696 8.775 -0.079 18154 8492 1 12 . 1 1 4 4 ILE N N 4 120.672 120.672 125.348 -4.676 18154 8493 1 12 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.650 0.459 18154 8494 1 12 . 1 1 4 4 ILE C C 4 175.463 175.463 174.709 0.754 18154 8495 1 12 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.037 -0.204 18154 8496 1 12 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.671 2.999 18154 8497 1 12 . 1 1 4 4 ILE H H 4 8.860 8.860 9.193 -0.333 18154 8498 1 12 . 1 1 5 5 GLY N N 5 119.310 119.310 114.483 4.827 18154 8499 1 12 . 1 1 5 5 GLY C C 5 171.260 171.260 172.825 -1.565 18154 8500 1 12 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.285 0.535 18154 8501 1 12 . 1 1 5 5 GLY H H 5 8.469 8.469 7.923 0.546 18154 8502 1 12 . 1 1 6 6 ILE N N 6 126.915 126.915 125.845 1.070 18154 8503 1 12 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.006 0.184 18154 8504 1 12 . 1 1 6 6 ILE C C 6 173.901 173.901 174.418 -0.517 18154 8505 1 12 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.637 -0.637 18154 8506 1 12 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.968 -1.968 18154 8507 1 12 . 1 1 6 6 ILE H H 6 9.056 9.056 9.153 -0.097 18154 8508 1 12 . 1 1 7 7 PHE N N 7 127.354 127.354 127.050 0.304 18154 8509 1 12 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.051 -0.539 18154 8510 1 12 . 1 1 7 7 PHE C C 7 174.230 174.230 174.871 -0.641 18154 8511 1 12 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.348 2.062 18154 8512 1 12 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.776 0.952 18154 8513 1 12 . 1 1 7 7 PHE H H 7 8.960 8.960 9.425 -0.465 18154 8514 1 12 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.188 -0.128 18154 8515 1 12 . 1 1 8 8 VAL C C 8 175.450 175.450 175.404 0.046 18154 8516 1 12 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.432 0.768 18154 8517 1 12 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.499 0.938 18154 8518 1 12 . 1 1 9 9 GLY N N 9 115.000 115.000 116.802 -1.802 18154 8519 1 12 . 1 1 9 9 GLY C C 9 173.150 173.150 172.117 1.033 18154 8520 1 12 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.623 0.377 18154 8521 1 12 . 1 1 9 9 GLY H H 9 9.393 9.393 8.700 0.693 18154 8522 1 12 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.211 0.484 18154 8523 1 12 . 1 1 12 12 TYR C C 12 176.560 176.560 175.042 1.518 18154 8524 1 12 . 1 1 12 12 TYR CA C 12 57.750 57.750 58.379 -0.629 18154 8525 1 12 . 1 1 12 12 TYR CB C 12 38.000 38.000 36.146 1.854 18154 8526 1 12 . 1 1 13 13 GLY N N 13 109.870 109.870 106.049 3.821 18154 8527 1 12 . 1 1 13 13 GLY C C 13 175.930 175.930 172.483 3.447 18154 8528 1 12 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.879 1.121 18154 8529 1 12 . 1 1 13 13 GLY H H 13 8.500 8.500 7.551 0.949 18154 8530 1 12 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.084 0.146 18154 8531 1 12 . 1 1 17 17 LEU C C 17 179.210 179.210 177.451 1.759 18154 8532 1 12 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.442 0.958 18154 8533 1 12 . 1 1 17 17 LEU CB C 17 41.300 41.300 42.016 -0.716 18154 8534 1 12 . 1 1 18 18 VAL N N 18 117.231 117.231 117.239 -0.008 18154 8535 1 12 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.626 -0.303 18154 8536 1 12 . 1 1 18 18 VAL C C 18 178.460 178.460 177.878 0.582 18154 8537 1 12 . 1 1 18 18 VAL CA C 18 66.866 66.866 65.548 1.318 18154 8538 1 12 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.305 1.155 18154 8539 1 12 . 1 1 18 18 VAL H H 18 7.645 7.645 7.795 -0.150 18154 8540 1 12 . 1 1 19 19 ALA N N 19 121.820 121.820 121.790 0.030 18154 8541 1 12 . 1 1 19 19 ALA HA H 19 3.816 3.816 4.005 -0.189 18154 8542 1 12 . 1 1 19 19 ALA C C 19 178.180 178.180 179.068 -0.888 18154 8543 1 12 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.706 -0.130 18154 8544 1 12 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.117 1.883 18154 8545 1 12 . 1 1 19 19 ALA H H 19 8.010 8.010 8.218 -0.208 18154 8546 1 12 . 1 1 20 20 GLU N N 20 118.960 118.960 118.715 0.245 18154 8547 1 12 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.049 -0.033 18154 8548 1 12 . 1 1 20 20 GLU C C 20 180.950 180.950 178.931 2.019 18154 8549 1 12 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.160 0.506 18154 8550 1 12 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.183 0.116 18154 8551 1 12 . 1 1 20 20 GLU H H 20 8.700 8.700 7.892 0.808 18154 8552 1 12 . 1 1 21 21 GLU N N 21 121.371 121.371 120.285 1.086 18154 8553 1 12 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.095 -0.051 18154 8554 1 12 . 1 1 21 21 GLU C C 21 179.419 179.419 178.835 0.584 18154 8555 1 12 . 1 1 21 21 GLU CA C 21 59.310 59.310 58.966 0.344 18154 8556 1 12 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.329 0.232 18154 8557 1 12 . 1 1 21 21 GLU H H 21 8.632 8.632 8.247 0.385 18154 8558 1 12 . 1 1 22 22 ALA N N 22 121.329 121.329 122.867 -1.538 18154 8559 1 12 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.072 -0.014 18154 8560 1 12 . 1 1 22 22 ALA C C 22 178.823 178.823 179.369 -0.546 18154 8561 1 12 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.616 -0.939 18154 8562 1 12 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.150 -0.507 18154 8563 1 12 . 1 1 22 22 ALA H H 22 8.182 8.182 8.585 -0.403 18154 8564 1 12 . 1 1 23 23 GLU N N 23 119.035 119.035 119.264 -0.229 18154 8565 1 12 . 1 1 23 23 GLU HA H 23 3.404 3.404 3.992 -0.588 18154 8566 1 12 . 1 1 23 23 GLU C C 23 178.375 178.375 178.659 -0.284 18154 8567 1 12 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.676 0.632 18154 8568 1 12 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.621 -0.691 18154 8569 1 12 . 1 1 23 23 GLU H H 23 8.387 8.387 8.446 -0.059 18154 8570 1 12 . 1 1 24 24 ALA N N 24 122.207 122.207 122.140 0.067 18154 8571 1 12 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.092 -0.062 18154 8572 1 12 . 1 1 24 24 ALA C C 24 181.132 181.132 179.892 1.240 18154 8573 1 12 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.090 0.397 18154 8574 1 12 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.627 -0.627 18154 8575 1 12 . 1 1 24 24 ALA H H 24 7.535 7.535 7.784 -0.249 18154 8576 1 12 . 1 1 25 25 ILE N N 25 121.059 121.059 119.732 1.327 18154 8577 1 12 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.649 0.015 18154 8578 1 12 . 1 1 25 25 ILE C C 25 178.419 178.419 177.862 0.557 18154 8579 1 12 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.257 -1.149 18154 8580 1 12 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.181 0.782 18154 8581 1 12 . 1 1 25 25 ILE H H 25 7.800 7.800 8.608 -0.808 18154 8582 1 12 . 1 1 26 26 LEU N N 26 119.307 119.307 120.364 -1.057 18154 8583 1 12 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.113 0.063 18154 8584 1 12 . 1 1 26 26 LEU C C 26 179.863 179.863 179.647 0.216 18154 8585 1 12 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.221 -0.275 18154 8586 1 12 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.241 -0.101 18154 8587 1 12 . 1 1 26 26 LEU H H 26 8.509 8.509 8.617 -0.108 18154 8588 1 12 . 1 1 27 27 THR N N 27 117.830 117.830 115.891 1.939 18154 8589 1 12 . 1 1 27 27 THR HA H 27 4.524 4.524 4.357 0.167 18154 8590 1 12 . 1 1 27 27 THR C C 27 179.027 179.027 176.443 2.584 18154 8591 1 12 . 1 1 27 27 THR CA C 27 66.000 66.000 66.597 -0.597 18154 8592 1 12 . 1 1 27 27 THR CB C 27 68.600 68.600 68.632 -0.032 18154 8593 1 12 . 1 1 27 27 THR H H 27 8.796 8.796 8.528 0.268 18154 8594 1 12 . 1 1 28 28 ALA N N 28 126.313 126.313 122.960 3.353 18154 8595 1 12 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.149 0.056 18154 8596 1 12 . 1 1 28 28 ALA C C 28 179.360 179.360 179.688 -0.328 18154 8597 1 12 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.369 0.631 18154 8598 1 12 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.221 -0.571 18154 8599 1 12 . 1 1 28 28 ALA H H 28 7.832 7.832 7.941 -0.109 18154 8600 1 12 . 1 1 29 29 GLN N N 29 115.527 115.527 116.604 -1.077 18154 8601 1 12 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.108 0.019 18154 8602 1 12 . 1 1 29 29 GLN C C 29 176.547 176.547 176.975 -0.428 18154 8603 1 12 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.092 -0.529 18154 8604 1 12 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.630 -0.220 18154 8605 1 12 . 1 1 29 29 GLN H H 29 7.353 7.353 8.164 -0.811 18154 8606 1 12 . 1 1 30 30 GLY N N 30 105.961 105.961 105.882 0.079 18154 8607 1 12 . 1 1 30 30 GLY C C 30 174.785 174.785 173.718 1.067 18154 8608 1 12 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.504 -0.004 18154 8609 1 12 . 1 1 30 30 GLY H H 30 7.923 7.923 7.660 0.263 18154 8610 1 12 . 1 1 31 31 HIS N N 31 119.471 119.471 118.576 0.895 18154 8611 1 12 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.796 0.039 18154 8612 1 12 . 1 1 31 31 HIS C C 31 174.665 174.665 174.031 0.634 18154 8613 1 12 . 1 1 31 31 HIS CA C 31 55.842 55.842 55.204 0.638 18154 8614 1 12 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.487 0.513 18154 8615 1 12 . 1 1 31 31 HIS H H 31 7.558 7.558 8.188 -0.630 18154 8616 1 12 . 1 1 32 32 LYS N N 32 121.854 121.854 121.068 0.786 18154 8617 1 12 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.585 0.138 18154 8618 1 12 . 1 1 32 32 LYS C C 32 174.466 174.466 174.427 0.039 18154 8619 1 12 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.451 0.414 18154 8620 1 12 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.552 0.408 18154 8621 1 12 . 1 1 32 32 LYS H H 32 8.665 8.665 8.848 -0.183 18154 8622 1 12 . 1 1 33 33 ALA N N 33 130.188 130.188 129.652 0.536 18154 8623 1 12 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.590 0.228 18154 8624 1 12 . 1 1 33 33 ALA C C 33 175.567 175.567 176.417 -0.850 18154 8625 1 12 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.647 -0.671 18154 8626 1 12 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.716 0.581 18154 8627 1 12 . 1 1 33 33 ALA H H 33 8.837 8.837 7.961 0.876 18154 8628 1 12 . 1 1 34 34 THR N N 34 117.164 117.164 116.586 0.578 18154 8629 1 12 . 1 1 34 34 THR HA H 34 4.359 4.359 4.771 -0.412 18154 8630 1 12 . 1 1 34 34 THR C C 34 171.315 171.315 173.294 -1.979 18154 8631 1 12 . 1 1 34 34 THR CA C 34 61.840 61.840 61.038 0.802 18154 8632 1 12 . 1 1 34 34 THR CB C 34 71.800 71.800 72.458 -0.658 18154 8633 1 12 . 1 1 34 34 THR H H 34 7.826 7.826 8.660 -0.834 18154 8634 1 12 . 1 1 35 35 VAL N N 35 126.650 126.650 123.909 2.741 18154 8635 1 12 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.281 -0.098 18154 8636 1 12 . 1 1 35 35 VAL C C 35 174.675 174.675 175.482 -0.807 18154 8637 1 12 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.967 -0.039 18154 8638 1 12 . 1 1 35 35 VAL CB C 35 32.650 32.650 31.846 0.804 18154 8639 1 12 . 1 1 35 35 VAL H H 35 8.496 8.496 8.741 -0.245 18154 8640 1 12 . 1 1 36 36 PHE N N 36 127.630 127.630 126.906 0.724 18154 8641 1 12 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.625 -0.074 18154 8642 1 12 . 1 1 36 36 PHE C C 36 174.347 174.347 174.365 -0.018 18154 8643 1 12 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.560 0.922 18154 8644 1 12 . 1 1 36 36 PHE CB C 36 40.165 40.165 39.991 0.174 18154 8645 1 12 . 1 1 36 36 PHE H H 36 9.164 9.164 9.153 0.011 18154 8646 1 12 . 1 1 37 37 GLU N N 37 123.516 123.516 124.434 -0.918 18154 8647 1 12 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.405 0.065 18154 8648 1 12 . 1 1 37 37 GLU C C 37 175.954 175.954 176.390 -0.436 18154 8649 1 12 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.459 -0.740 18154 8650 1 12 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.898 0.562 18154 8651 1 12 . 1 1 37 37 GLU H H 37 8.455 8.455 8.520 -0.065 18154 8652 1 12 . 1 1 38 38 ASP N N 38 120.395 120.395 121.244 -0.849 18154 8653 1 12 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.484 0.349 18154 8654 1 12 . 1 1 38 38 ASP C C 38 173.920 173.920 174.675 -0.755 18154 8655 1 12 . 1 1 38 38 ASP CA C 38 54.477 54.477 53.980 0.497 18154 8656 1 12 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.440 0.164 18154 8657 1 12 . 1 1 38 38 ASP H H 38 9.602 9.602 8.634 0.968 18154 8658 1 12 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.661 0.019 18154 8659 1 12 . 1 1 39 39 PRO C C 39 176.274 176.274 176.522 -0.248 18154 8660 1 12 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.547 -0.563 18154 8661 1 12 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.221 1.179 18154 8662 1 12 . 1 1 40 40 GLU N N 40 119.026 119.026 121.700 -2.674 18154 8663 1 12 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.548 0.180 18154 8664 1 12 . 1 1 40 40 GLU C C 40 177.827 177.827 178.314 -0.487 18154 8665 1 12 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.951 -0.981 18154 8666 1 12 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.383 2.017 18154 8667 1 12 . 1 1 40 40 GLU H H 40 9.178 9.178 8.929 0.249 18154 8668 1 12 . 1 1 41 41 LEU N N 41 123.708 123.708 124.958 -1.250 18154 8669 1 12 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.244 -0.350 18154 8670 1 12 . 1 1 41 41 LEU C C 41 178.730 178.730 177.606 1.124 18154 8671 1 12 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.606 0.801 18154 8672 1 12 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.434 0.219 18154 8673 1 12 . 1 1 41 41 LEU H H 41 9.160 9.160 8.836 0.324 18154 8674 1 12 . 1 1 42 42 SER N N 42 110.500 110.500 114.477 -3.977 18154 8675 1 12 . 1 1 42 42 SER HA H 42 4.010 4.010 4.304 -0.294 18154 8676 1 12 . 1 1 42 42 SER C C 42 176.300 176.300 174.977 1.323 18154 8677 1 12 . 1 1 42 42 SER CA C 42 61.600 61.600 60.730 0.870 18154 8678 1 12 . 1 1 42 42 SER CB C 42 62.140 62.140 62.786 -0.646 18154 8679 1 12 . 1 1 42 42 SER H H 42 8.415 8.415 8.586 -0.171 18154 8680 1 12 . 1 1 43 43 ASP N N 43 119.770 119.770 120.913 -1.143 18154 8681 1 12 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.637 -0.180 18154 8682 1 12 . 1 1 43 43 ASP C C 43 176.150 176.150 176.334 -0.184 18154 8683 1 12 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.742 1.008 18154 8684 1 12 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.914 1.786 18154 8685 1 12 . 1 1 43 43 ASP H H 43 7.690 7.690 8.119 -0.429 18154 8686 1 12 . 1 1 44 44 TRP N N 44 118.500 118.500 121.381 -2.881 18154 8687 1 12 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.479 -0.269 18154 8688 1 12 . 1 1 44 44 TRP C C 44 177.150 177.150 177.592 -0.442 18154 8689 1 12 . 1 1 44 44 TRP CA C 44 59.387 59.387 59.386 0.000 18154 8690 1 12 . 1 1 44 44 TRP CB C 44 30.310 30.310 29.863 0.447 18154 8691 1 12 . 1 1 44 44 TRP H H 44 7.464 7.464 7.303 0.161 18154 8692 1 12 . 1 1 45 45 LEU N N 45 114.100 114.100 121.002 -6.902 18154 8693 1 12 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.028 0.147 18154 8694 1 12 . 1 1 45 45 LEU C C 45 176.300 176.300 175.872 0.428 18154 8695 1 12 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.440 -0.880 18154 8696 1 12 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.343 -0.123 18154 8697 1 12 . 1 1 45 45 LEU H H 45 7.550 7.550 8.580 -1.030 18154 8698 1 12 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.195 0.185 18154 8699 1 12 . 1 1 46 46 PRO C C 46 176.799 176.799 177.409 -0.610 18154 8700 1 12 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.439 0.848 18154 8701 1 12 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.003 0.597 18154 8702 1 12 . 1 1 47 47 TYR N N 47 113.790 113.790 117.588 -3.798 18154 8703 1 12 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.590 -0.470 18154 8704 1 12 . 1 1 47 47 TYR C C 47 175.730 175.730 178.276 -2.546 18154 8705 1 12 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.252 1.948 18154 8706 1 12 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.423 0.593 18154 8707 1 12 . 1 1 47 47 TYR H H 47 8.291 8.291 8.100 0.191 18154 8708 1 12 . 1 1 48 48 GLN N N 48 116.524 116.524 120.352 -3.828 18154 8709 1 12 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.967 -0.082 18154 8710 1 12 . 1 1 48 48 GLN C C 48 174.381 174.381 176.175 -1.794 18154 8711 1 12 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.752 0.074 18154 8712 1 12 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.732 2.268 18154 8713 1 12 . 1 1 48 48 GLN H H 48 7.300 7.300 7.473 -0.173 18154 8714 1 12 . 1 1 49 49 ASP N N 49 114.657 114.657 113.995 0.662 18154 8715 1 12 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.662 0.025 18154 8716 1 12 . 1 1 49 49 ASP C C 49 176.307 176.307 175.850 0.457 18154 8717 1 12 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.652 -1.917 18154 8718 1 12 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.265 -1.065 18154 8719 1 12 . 1 1 49 49 ASP H H 49 7.854 7.854 8.506 -0.652 18154 8720 1 12 . 1 1 50 50 LYS N N 50 123.514 123.514 117.545 5.969 18154 8721 1 12 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.696 -0.106 18154 8722 1 12 . 1 1 50 50 LYS C C 50 172.964 172.964 175.514 -2.550 18154 8723 1 12 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.358 -0.665 18154 8724 1 12 . 1 1 50 50 LYS CB C 50 33.355 33.355 35.026 -1.671 18154 8725 1 12 . 1 1 50 50 LYS H H 50 7.833 7.833 7.470 0.363 18154 8726 1 12 . 1 1 51 51 TYR N N 51 118.375 118.375 115.579 2.796 18154 8727 1 12 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.686 0.369 18154 8728 1 12 . 1 1 51 51 TYR C C 51 175.875 175.875 175.925 -0.050 18154 8729 1 12 . 1 1 51 51 TYR CA C 51 56.421 56.421 56.507 -0.086 18154 8730 1 12 . 1 1 51 51 TYR CB C 51 42.477 42.477 42.621 -0.144 18154 8731 1 12 . 1 1 51 51 TYR H H 51 7.745 7.745 8.390 -0.645 18154 8732 1 12 . 1 1 52 52 VAL N N 52 112.527 112.527 115.471 -2.944 18154 8733 1 12 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.918 0.582 18154 8734 1 12 . 1 1 52 52 VAL C C 52 173.910 173.910 173.937 -0.027 18154 8735 1 12 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.370 -1.674 18154 8736 1 12 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.241 1.251 18154 8737 1 12 . 1 1 52 52 VAL H H 52 8.673 8.673 8.398 0.275 18154 8738 1 12 . 1 1 53 53 LEU N N 53 124.294 124.294 125.330 -1.036 18154 8739 1 12 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.234 -0.334 18154 8740 1 12 . 1 1 53 53 LEU C C 53 175.070 175.070 174.448 0.622 18154 8741 1 12 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.425 -0.859 18154 8742 1 12 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.471 -1.241 18154 8743 1 12 . 1 1 53 53 LEU H H 53 9.137 9.137 9.078 0.059 18154 8744 1 12 . 1 1 54 54 VAL N N 54 127.850 127.850 126.616 1.234 18154 8745 1 12 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.690 -0.180 18154 8746 1 12 . 1 1 54 54 VAL C C 54 174.030 174.030 174.625 -0.595 18154 8747 1 12 . 1 1 54 54 VAL CA C 54 61.825 61.825 60.199 1.626 18154 8748 1 12 . 1 1 54 54 VAL CB C 54 32.691 32.691 32.380 0.311 18154 8749 1 12 . 1 1 54 54 VAL H H 54 8.619 8.619 8.924 -0.305 18154 8750 1 12 . 1 1 55 55 VAL N N 55 127.181 127.181 128.196 -1.015 18154 8751 1 12 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.811 0.274 18154 8752 1 12 . 1 1 55 55 VAL C C 55 174.942 174.942 174.569 0.373 18154 8753 1 12 . 1 1 55 55 VAL CA C 55 60.069 60.069 61.293 -1.224 18154 8754 1 12 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.884 -0.662 18154 8755 1 12 . 1 1 55 55 VAL H H 55 8.578 8.578 9.091 -0.513 18154 8756 1 12 . 1 1 56 56 THR N N 56 117.420 117.420 122.439 -5.019 18154 8757 1 12 . 1 1 56 56 THR HA H 56 5.590 5.590 5.048 0.542 18154 8758 1 12 . 1 1 56 56 THR C C 56 172.640 172.640 172.802 -0.162 18154 8759 1 12 . 1 1 56 56 THR CA C 56 59.359 59.359 60.873 -1.514 18154 8760 1 12 . 1 1 56 56 THR CB C 56 70.715 70.715 70.504 0.211 18154 8761 1 12 . 1 1 56 56 THR H H 56 8.710 8.710 8.849 -0.139 18154 8762 1 12 . 1 1 57 57 SER HA H 57 5.250 5.250 5.185 0.065 18154 8763 1 12 . 1 1 57 57 SER CA C 57 57.730 57.730 57.009 0.721 18154 8764 1 12 . 1 1 57 57 SER CB C 57 64.500 64.500 65.517 -1.017 18154 8765 1 12 . 1 1 57 57 SER H H 57 8.075 8.075 8.812 -0.737 18154 8766 1 12 . 1 1 58 58 THR H H 58 7.900 7.900 8.551 -0.651 18154 8767 1 12 . 1 1 59 59 THR HA H 59 4.900 4.900 4.155 0.745 18154 8768 1 12 . 1 1 59 59 THR CA C 59 61.200 61.200 64.169 -2.969 18154 8769 1 12 . 1 1 59 59 THR CB C 59 73.400 73.400 69.353 4.047 18154 8770 1 12 . 1 1 59 59 THR H H 59 9.230 9.230 7.620 1.610 18154 8771 1 12 . 1 1 60 60 GLY CA C 60 46.500 46.500 44.741 1.759 18154 8772 1 12 . 1 1 61 61 GLN HA H 61 4.406 4.406 3.899 0.507 18154 8773 1 12 . 1 1 61 61 GLN C C 61 175.950 175.950 175.948 0.002 18154 8774 1 12 . 1 1 61 61 GLN CA C 61 55.350 55.350 56.861 -1.511 18154 8775 1 12 . 1 1 61 61 GLN CB C 61 29.160 29.160 27.192 1.968 18154 8776 1 12 . 1 1 62 62 GLY N N 62 108.420 108.420 103.704 4.716 18154 8777 1 12 . 1 1 62 62 GLY C C 62 173.134 173.134 173.854 -0.720 18154 8778 1 12 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.846 0.938 18154 8779 1 12 . 1 1 62 62 GLY H H 62 8.073 8.073 8.663 -0.590 18154 8780 1 12 . 1 1 63 63 ASP N N 63 118.400 118.400 119.724 -1.324 18154 8781 1 12 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.763 0.017 18154 8782 1 12 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.590 0.706 18154 8783 1 12 . 1 1 63 63 ASP CB C 63 42.740 42.740 42.501 0.239 18154 8784 1 12 . 1 1 63 63 ASP H H 63 7.248 7.248 7.902 -0.654 18154 8785 1 12 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.421 -0.021 18154 8786 1 12 . 1 1 64 64 LEU CA C 64 53.150 53.150 52.223 0.927 18154 8787 1 12 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.252 -0.564 18154 8788 1 12 . 1 1 64 64 LEU H H 64 8.445 8.445 7.966 0.479 18154 8789 1 12 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.344 -0.051 18154 8790 1 12 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.353 -0.009 18154 8791 1 12 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.581 -0.101 18154 8792 1 12 . 1 1 66 66 ASP N N 66 121.200 121.200 121.564 -0.364 18154 8793 1 12 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.292 -0.032 18154 8794 1 12 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.167 1.463 18154 8795 1 12 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.652 0.148 18154 8796 1 12 . 1 1 66 66 ASP H H 66 8.605 8.605 8.928 -0.323 18154 8797 1 12 . 1 1 67 67 SER HA H 67 4.292 4.292 4.294 -0.002 18154 8798 1 12 . 1 1 67 67 SER C C 67 175.650 175.650 175.170 0.480 18154 8799 1 12 . 1 1 67 67 SER CA C 67 60.500 60.500 60.595 -0.095 18154 8800 1 12 . 1 1 67 67 SER CB C 67 63.530 63.530 63.449 0.081 18154 8801 1 12 . 1 1 68 68 ILE N N 68 120.550 120.550 119.912 0.638 18154 8802 1 12 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.342 0.768 18154 8803 1 12 . 1 1 68 68 ILE C C 68 174.713 174.713 176.286 -1.573 18154 8804 1 12 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.568 -0.168 18154 8805 1 12 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.158 4.082 18154 8806 1 12 . 1 1 68 68 ILE H H 68 7.870 7.870 7.619 0.251 18154 8807 1 12 . 1 1 69 69 VAL N N 69 125.740 125.740 123.493 2.247 18154 8808 1 12 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.621 0.124 18154 8809 1 12 . 1 1 69 69 VAL C C 69 174.500 174.500 174.865 -0.365 18154 8810 1 12 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.440 -0.890 18154 8811 1 12 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.347 0.783 18154 8812 1 12 . 1 1 69 69 VAL H H 69 7.428 7.428 7.957 -0.529 18154 8813 1 12 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.304 -0.012 18154 8814 1 12 . 1 1 70 70 PRO C C 70 180.820 180.820 178.919 1.901 18154 8815 1 12 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.024 0.446 18154 8816 1 12 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.228 -0.571 18154 8817 1 12 . 1 1 71 71 LEU N N 71 119.467 119.467 120.064 -0.597 18154 8818 1 12 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.059 -0.214 18154 8819 1 12 . 1 1 71 71 LEU C C 71 176.489 176.489 178.402 -1.913 18154 8820 1 12 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.862 0.345 18154 8821 1 12 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.762 -0.276 18154 8822 1 12 . 1 1 71 71 LEU H H 71 7.918 7.918 7.364 0.554 18154 8823 1 12 . 1 1 72 72 PHE N N 72 119.361 119.361 119.496 -0.135 18154 8824 1 12 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.400 -0.255 18154 8825 1 12 . 1 1 72 72 PHE C C 72 175.968 175.968 177.107 -1.139 18154 8826 1 12 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.724 0.097 18154 8827 1 12 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.669 0.878 18154 8828 1 12 . 1 1 72 72 PHE H H 72 7.903 7.903 8.703 -0.800 18154 8829 1 12 . 1 1 73 73 GLN N N 73 116.100 116.100 116.911 -0.811 18154 8830 1 12 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.666 -0.139 18154 8831 1 12 . 1 1 73 73 GLN C C 73 177.871 177.871 178.530 -0.659 18154 8832 1 12 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.721 -0.581 18154 8833 1 12 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.421 -0.274 18154 8834 1 12 . 1 1 73 73 GLN H H 73 9.042 9.042 8.705 0.337 18154 8835 1 12 . 1 1 74 74 GLY N N 74 107.110 107.110 108.838 -1.728 18154 8836 1 12 . 1 1 74 74 GLY C C 74 175.894 175.894 176.046 -0.152 18154 8837 1 12 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.984 0.296 18154 8838 1 12 . 1 1 74 74 GLY H H 74 8.045 8.045 8.014 0.031 18154 8839 1 12 . 1 1 75 75 ILE N N 75 123.629 123.629 122.717 0.912 18154 8840 1 12 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.320 -0.270 18154 8841 1 12 . 1 1 75 75 ILE C C 75 178.622 178.622 177.159 1.463 18154 8842 1 12 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.876 0.381 18154 8843 1 12 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.393 0.575 18154 8844 1 12 . 1 1 75 75 ILE H H 75 8.174 8.174 8.111 0.063 18154 8845 1 12 . 1 1 76 76 LYS N N 76 119.363 119.363 118.445 0.918 18154 8846 1 12 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.752 -0.447 18154 8847 1 12 . 1 1 76 76 LYS C C 76 177.909 177.909 178.294 -0.385 18154 8848 1 12 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.243 0.462 18154 8849 1 12 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.886 0.464 18154 8850 1 12 . 1 1 76 76 LYS H H 76 7.600 7.600 7.336 0.264 18154 8851 1 12 . 1 1 77 77 ASP N N 77 115.190 115.190 118.379 -3.189 18154 8852 1 12 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.581 -0.099 18154 8853 1 12 . 1 1 77 77 ASP C C 77 178.825 178.825 178.423 0.402 18154 8854 1 12 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.168 0.112 18154 8855 1 12 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.735 -0.545 18154 8856 1 12 . 1 1 77 77 ASP H H 77 8.482 8.482 8.335 0.147 18154 8857 1 12 . 1 1 78 78 SER N N 78 112.576 112.576 115.954 -3.378 18154 8858 1 12 . 1 1 78 78 SER HA H 78 4.728 4.728 4.412 0.316 18154 8859 1 12 . 1 1 78 78 SER C C 78 174.556 174.556 174.924 -0.368 18154 8860 1 12 . 1 1 78 78 SER CA C 78 60.045 60.045 60.392 -0.347 18154 8861 1 12 . 1 1 78 78 SER CB C 78 64.643 64.643 64.053 0.590 18154 8862 1 12 . 1 1 78 78 SER H H 78 8.273 8.273 8.026 0.247 18154 8863 1 12 . 1 1 79 79 LEU N N 79 120.833 120.833 120.839 -0.006 18154 8864 1 12 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.423 0.392 18154 8865 1 12 . 1 1 79 79 LEU C C 79 176.251 176.251 178.733 -2.482 18154 8866 1 12 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.380 -2.420 18154 8867 1 12 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.036 -2.841 18154 8868 1 12 . 1 1 79 79 LEU H H 79 7.025 7.025 7.740 -0.715 18154 8869 1 12 . 1 1 80 80 GLY N N 80 108.861 108.861 106.814 2.047 18154 8870 1 12 . 1 1 80 80 GLY C C 80 173.623 173.623 173.545 0.078 18154 8871 1 12 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.387 -0.158 18154 8872 1 12 . 1 1 80 80 GLY H H 80 7.499 7.499 8.108 -0.609 18154 8873 1 12 . 1 1 81 81 PHE N N 81 121.441 121.441 119.827 1.614 18154 8874 1 12 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.729 0.331 18154 8875 1 12 . 1 1 81 81 PHE C C 81 174.411 174.411 172.513 1.898 18154 8876 1 12 . 1 1 81 81 PHE CA C 81 57.211 57.211 56.947 0.264 18154 8877 1 12 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.965 -1.345 18154 8878 1 12 . 1 1 81 81 PHE H H 81 8.018 8.018 7.518 0.500 18154 8879 1 12 . 1 1 82 82 GLN N N 82 126.480 126.480 122.209 4.271 18154 8880 1 12 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.732 0.158 18154 8881 1 12 . 1 1 82 82 GLN C C 82 172.700 172.700 173.857 -1.157 18154 8882 1 12 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.029 2.148 18154 8883 1 12 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.423 2.177 18154 8884 1 12 . 1 1 82 82 GLN H H 82 9.588 9.588 7.692 1.896 18154 8885 1 12 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.155 0.218 18154 8886 1 12 . 1 1 83 83 PRO C C 83 178.163 178.163 176.634 1.529 18154 8887 1 12 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.745 -1.054 18154 8888 1 12 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.278 -0.413 18154 8889 1 12 . 1 1 84 84 ASN N N 84 116.900 116.900 114.076 2.824 18154 8890 1 12 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.804 -0.035 18154 8891 1 12 . 1 1 84 84 ASN C C 84 173.332 173.332 173.479 -0.147 18154 8892 1 12 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.604 -0.044 18154 8893 1 12 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.273 -1.013 18154 8894 1 12 . 1 1 84 84 ASN H H 84 8.578 8.578 7.931 0.647 18154 8895 1 12 . 1 1 85 85 LEU N N 85 124.380 124.380 122.313 2.067 18154 8896 1 12 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.262 -0.216 18154 8897 1 12 . 1 1 85 85 LEU C C 85 175.880 175.880 175.721 0.159 18154 8898 1 12 . 1 1 85 85 LEU CA C 85 55.842 55.842 55.086 0.756 18154 8899 1 12 . 1 1 85 85 LEU CB C 85 42.300 42.300 42.987 -0.687 18154 8900 1 12 . 1 1 85 85 LEU H H 85 7.240 7.240 7.608 -0.368 18154 8901 1 12 . 1 1 86 86 ARG N N 86 128.715 128.715 123.812 4.903 18154 8902 1 12 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.712 0.082 18154 8903 1 12 . 1 1 86 86 ARG C C 86 175.554 175.554 175.611 -0.057 18154 8904 1 12 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.264 1.178 18154 8905 1 12 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.523 -0.650 18154 8906 1 12 . 1 1 86 86 ARG H H 86 7.732 7.732 7.794 -0.062 18154 8907 1 12 . 1 1 87 87 TYR N N 87 117.420 117.420 117.192 0.228 18154 8908 1 12 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.824 0.941 18154 8909 1 12 . 1 1 87 87 TYR C C 87 172.931 172.931 173.551 -0.620 18154 8910 1 12 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.357 -1.096 18154 8911 1 12 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.455 3.483 18154 8912 1 12 . 1 1 87 87 TYR H H 87 8.783 8.783 8.074 0.709 18154 8913 1 12 . 1 1 88 88 GLY N N 88 107.765 107.765 106.153 1.612 18154 8914 1 12 . 1 1 88 88 GLY C C 88 172.621 172.621 171.802 0.819 18154 8915 1 12 . 1 1 88 88 GLY CA C 88 43.861 43.861 43.520 0.341 18154 8916 1 12 . 1 1 88 88 GLY H H 88 8.905 8.905 8.819 0.086 18154 8917 1 12 . 1 1 89 89 VAL N N 89 118.180 118.180 118.887 -0.707 18154 8918 1 12 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.862 0.139 18154 8919 1 12 . 1 1 89 89 VAL C C 89 172.939 172.939 174.152 -1.213 18154 8920 1 12 . 1 1 89 89 VAL CA C 89 60.999 60.999 61.701 -0.702 18154 8921 1 12 . 1 1 89 89 VAL CB C 89 36.398 36.398 36.494 -0.096 18154 8922 1 12 . 1 1 89 89 VAL H H 89 7.499 7.499 8.440 -0.941 18154 8923 1 12 . 1 1 90 90 ILE N N 90 125.000 125.000 125.521 -0.521 18154 8924 1 12 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.082 0.045 18154 8925 1 12 . 1 1 90 90 ILE C C 90 173.099 173.099 173.773 -0.674 18154 8926 1 12 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.854 0.634 18154 8927 1 12 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.587 -0.189 18154 8928 1 12 . 1 1 90 90 ILE H H 90 8.810 8.810 8.807 0.003 18154 8929 1 12 . 1 1 91 91 ALA N N 91 129.036 129.036 129.931 -0.895 18154 8930 1 12 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.370 -0.044 18154 8931 1 12 . 1 1 91 91 ALA C C 91 174.000 174.000 175.738 -1.738 18154 8932 1 12 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.731 -0.731 18154 8933 1 12 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.108 0.993 18154 8934 1 12 . 1 1 91 91 ALA H H 91 9.253 9.253 8.920 0.333 18154 8935 1 12 . 1 1 92 92 LEU HA H 92 4.931 4.931 4.982 -0.051 18154 8936 1 12 . 1 1 92 92 LEU C C 92 177.366 177.366 177.076 0.290 18154 8937 1 12 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.232 0.685 18154 8938 1 12 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.109 -2.709 18154 8939 1 12 . 1 1 93 93 GLY N N 93 110.663 110.663 109.101 1.562 18154 8940 1 12 . 1 1 93 93 GLY C C 93 172.029 172.029 171.895 0.134 18154 8941 1 12 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.983 -0.253 18154 8942 1 12 . 1 1 93 93 GLY H H 93 8.687 8.687 8.652 0.035 18154 8943 1 12 . 1 1 94 94 ASP N N 94 119.304 119.304 121.184 -1.880 18154 8944 1 12 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.572 -0.312 18154 8945 1 12 . 1 1 94 94 ASP C C 94 176.978 176.978 177.745 -0.767 18154 8946 1 12 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.048 1.559 18154 8947 1 12 . 1 1 94 94 ASP CB C 94 43.000 43.000 43.279 -0.279 18154 8948 1 12 . 1 1 94 94 ASP H H 94 8.129 8.129 8.516 -0.387 18154 8949 1 12 . 1 1 95 95 SER N N 95 123.897 123.897 122.576 1.321 18154 8950 1 12 . 1 1 95 95 SER HA H 95 3.895 3.895 4.245 -0.349 18154 8951 1 12 . 1 1 95 95 SER C C 95 175.243 175.243 175.516 -0.273 18154 8952 1 12 . 1 1 95 95 SER CA C 95 60.183 60.183 60.834 -0.652 18154 8953 1 12 . 1 1 95 95 SER CB C 95 61.700 61.700 62.795 -1.095 18154 8954 1 12 . 1 1 95 95 SER H H 95 8.878 8.878 9.560 -0.682 18154 8955 1 12 . 1 1 96 96 SER N N 96 119.248 119.248 117.042 2.206 18154 8956 1 12 . 1 1 96 96 SER HA H 96 4.209 4.209 4.318 -0.109 18154 8957 1 12 . 1 1 96 96 SER C C 96 173.900 173.900 174.681 -0.781 18154 8958 1 12 . 1 1 96 96 SER CA C 96 60.197 60.197 59.642 0.555 18154 8959 1 12 . 1 1 96 96 SER CB C 96 63.000 63.000 63.720 -0.720 18154 8960 1 12 . 1 1 96 96 SER H H 96 9.124 9.124 8.285 0.839 18154 8961 1 12 . 1 1 97 97 TYR N N 97 120.889 120.889 120.741 0.148 18154 8962 1 12 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.493 0.395 18154 8963 1 12 . 1 1 97 97 TYR C C 97 175.972 175.972 175.518 0.454 18154 8964 1 12 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.388 -2.638 18154 8965 1 12 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.376 0.444 18154 8966 1 12 . 1 1 97 97 TYR H H 97 7.664 7.664 7.891 -0.227 18154 8967 1 12 . 1 1 98 98 VAL N N 98 116.952 116.952 118.828 -1.876 18154 8968 1 12 . 1 1 98 98 VAL HA H 98 4.060 4.060 4.055 0.005 18154 8969 1 12 . 1 1 98 98 VAL C C 98 175.969 175.969 175.970 -0.001 18154 8970 1 12 . 1 1 98 98 VAL CA C 98 62.840 62.840 62.380 0.460 18154 8971 1 12 . 1 1 98 98 VAL CB C 98 32.600 32.600 32.883 -0.283 18154 8972 1 12 . 1 1 98 98 VAL H H 98 7.970 7.970 8.269 -0.299 18154 8973 1 12 . 1 1 99 99 ASN N N 99 118.156 118.156 116.519 1.637 18154 8974 1 12 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.441 0.070 18154 8975 1 12 . 1 1 99 99 ASN C C 99 174.329 174.329 175.680 -1.351 18154 8976 1 12 . 1 1 99 99 ASN CA C 99 53.031 53.031 54.144 -1.113 18154 8977 1 12 . 1 1 99 99 ASN CB C 99 37.238 37.238 36.819 0.419 18154 8978 1 12 . 1 1 99 99 ASN H H 99 8.296 8.296 8.642 -0.346 18154 8979 1 12 . 1 1 100 100 PHE N N 100 118.649 118.649 119.107 -0.458 18154 8980 1 12 . 1 1 100 100 PHE HA H 100 4.415 4.415 3.990 0.425 18154 8981 1 12 . 1 1 100 100 PHE C C 100 174.400 174.400 175.513 -1.113 18154 8982 1 12 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.131 -2.941 18154 8983 1 12 . 1 1 100 100 PHE CB C 100 39.679 39.679 38.028 1.651 18154 8984 1 12 . 1 1 100 100 PHE H H 100 7.855 7.855 8.478 -0.623 18154 8985 1 12 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.267 -0.682 18154 8986 1 12 . 1 1 101 101 CYS CA C 101 62.740 62.740 56.375 6.365 18154 8987 1 12 . 1 1 101 101 CYS CB C 101 26.000 26.000 26.896 -0.896 18154 8988 1 12 . 1 1 101 101 CYS H H 101 9.240 9.240 7.919 1.321 18154 8989 1 12 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.383 -0.163 18154 8990 1 12 . 1 1 102 102 ASN CA C 102 57.200 57.200 57.224 -0.024 18154 8991 1 12 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.268 0.332 18154 8992 1 12 . 1 1 102 102 ASN H H 102 8.300 8.300 8.858 -0.558 18154 8993 1 12 . 1 1 103 103 GLY C C 103 175.690 175.690 175.899 -0.209 18154 8994 1 12 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.083 0.267 18154 8995 1 12 . 1 1 104 104 GLY N N 104 106.150 106.150 109.710 -3.560 18154 8996 1 12 . 1 1 104 104 GLY C C 104 174.570 174.570 176.190 -1.620 18154 8997 1 12 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.345 1.005 18154 8998 1 12 . 1 1 104 104 GLY H H 104 7.108 7.108 7.690 -0.582 18154 8999 1 12 . 1 1 105 105 LYS N N 105 120.732 120.732 122.238 -1.506 18154 9000 1 12 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.977 -0.040 18154 9001 1 12 . 1 1 105 105 LYS C C 105 179.706 179.706 179.255 0.451 18154 9002 1 12 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.929 0.379 18154 9003 1 12 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.247 -0.450 18154 9004 1 12 . 1 1 105 105 LYS H H 105 7.708 7.708 7.698 0.010 18154 9005 1 12 . 1 1 106 106 GLN N N 106 119.087 119.087 117.387 1.700 18154 9006 1 12 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.159 -0.017 18154 9007 1 12 . 1 1 106 106 GLN C C 106 179.418 179.418 178.389 1.029 18154 9008 1 12 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.224 0.651 18154 9009 1 12 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.108 0.651 18154 9010 1 12 . 1 1 106 106 GLN H H 106 8.738 8.738 8.555 0.183 18154 9011 1 12 . 1 1 107 107 PHE N N 107 123.088 123.088 120.473 2.615 18154 9012 1 12 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.412 -0.162 18154 9013 1 12 . 1 1 107 107 PHE C C 107 178.403 178.403 177.875 0.528 18154 9014 1 12 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.692 0.493 18154 9015 1 12 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.806 0.645 18154 9016 1 12 . 1 1 107 107 PHE H H 107 7.922 7.922 7.482 0.440 18154 9017 1 12 . 1 1 108 108 ASP N N 108 117.118 117.118 120.204 -3.086 18154 9018 1 12 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.523 -0.149 18154 9019 1 12 . 1 1 108 108 ASP C C 108 176.973 176.973 178.306 -1.333 18154 9020 1 12 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.547 0.882 18154 9021 1 12 . 1 1 108 108 ASP CB C 108 44.123 44.123 40.987 3.135 18154 9022 1 12 . 1 1 108 108 ASP H H 108 8.305 8.305 8.112 0.193 18154 9023 1 12 . 1 1 109 109 ALA N N 109 118.590 118.590 122.658 -4.068 18154 9024 1 12 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.008 0.042 18154 9025 1 12 . 1 1 109 109 ALA C C 109 180.430 180.430 179.374 1.056 18154 9026 1 12 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.368 -0.172 18154 9027 1 12 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.618 -0.511 18154 9028 1 12 . 1 1 109 109 ALA H H 109 8.332 8.332 8.149 0.183 18154 9029 1 12 . 1 1 110 110 LEU N N 110 120.402 120.402 120.086 0.316 18154 9030 1 12 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.943 0.142 18154 9031 1 12 . 1 1 110 110 LEU C C 110 177.801 177.801 179.029 -1.228 18154 9032 1 12 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.640 0.000 18154 9033 1 12 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.810 0.946 18154 9034 1 12 . 1 1 110 110 LEU H H 110 7.868 7.868 8.140 -0.272 18154 9035 1 12 . 1 1 111 111 LEU N N 111 116.945 116.945 117.033 -0.088 18154 9036 1 12 . 1 1 111 111 LEU HA H 111 3.718 3.718 4.038 -0.320 18154 9037 1 12 . 1 1 111 111 LEU C C 111 179.838 179.838 179.712 0.126 18154 9038 1 12 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.135 0.830 18154 9039 1 12 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.269 -2.409 18154 9040 1 12 . 1 1 111 111 LEU H H 111 7.704 7.704 7.299 0.405 18154 9041 1 12 . 1 1 112 112 GLN N N 112 118.484 118.484 118.034 0.450 18154 9042 1 12 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.135 0.006 18154 9043 1 12 . 1 1 112 112 GLN C C 112 181.218 181.218 178.679 2.539 18154 9044 1 12 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.875 1.091 18154 9045 1 12 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.075 1.185 18154 9046 1 12 . 1 1 112 112 GLN H H 112 8.441 8.441 7.919 0.522 18154 9047 1 12 . 1 1 113 113 GLU N N 113 122.905 122.905 118.363 4.542 18154 9048 1 12 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.067 0.114 18154 9049 1 12 . 1 1 113 113 GLU C C 113 178.001 178.001 178.112 -0.111 18154 9050 1 12 . 1 1 113 113 GLU CA C 113 58.985 58.985 58.279 0.707 18154 9051 1 12 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.398 -0.128 18154 9052 1 12 . 1 1 113 113 GLU H H 113 8.305 8.305 8.115 0.190 18154 9053 1 12 . 1 1 114 114 GLN N N 114 117.332 117.332 117.767 -0.435 18154 9054 1 12 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.235 0.360 18154 9055 1 12 . 1 1 114 114 GLN C C 114 174.538 174.538 177.270 -2.732 18154 9056 1 12 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.816 -1.399 18154 9057 1 12 . 1 1 114 114 GLN CB C 114 25.830 25.830 29.966 -4.136 18154 9058 1 12 . 1 1 114 114 GLN H H 114 7.520 7.520 7.665 -0.145 18154 9059 1 12 . 1 1 115 115 SER N N 115 109.100 109.100 108.912 0.188 18154 9060 1 12 . 1 1 115 115 SER HA H 115 4.200 4.200 4.512 -0.312 18154 9061 1 12 . 1 1 115 115 SER C C 115 172.302 172.302 173.880 -1.578 18154 9062 1 12 . 1 1 115 115 SER CA C 115 60.400 60.400 58.383 2.017 18154 9063 1 12 . 1 1 115 115 SER CB C 115 61.325 61.325 64.568 -3.243 18154 9064 1 12 . 1 1 115 115 SER H H 115 7.950 7.950 7.944 0.006 18154 9065 1 12 . 1 1 116 116 ALA N N 116 121.059 121.059 125.728 -4.669 18154 9066 1 12 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.241 0.553 18154 9067 1 12 . 1 1 116 116 ALA C C 116 176.774 176.774 176.350 0.424 18154 9068 1 12 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.686 -0.996 18154 9069 1 12 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.357 1.008 18154 9070 1 12 . 1 1 116 116 ALA H H 116 7.813 7.813 7.776 0.037 18154 9071 1 12 . 1 1 117 117 GLN N N 117 118.000 118.000 119.078 -1.078 18154 9072 1 12 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.696 -0.078 18154 9073 1 12 . 1 1 117 117 GLN C C 117 173.769 173.769 175.043 -1.274 18154 9074 1 12 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.585 -0.029 18154 9075 1 12 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.519 -0.784 18154 9076 1 12 . 1 1 117 117 GLN H H 117 8.591 8.591 8.354 0.237 18154 9077 1 12 . 1 1 118 118 ARG N N 118 127.947 127.947 125.825 2.122 18154 9078 1 12 . 1 1 118 118 ARG HA H 118 3.308 3.308 3.202 0.106 18154 9079 1 12 . 1 1 118 118 ARG C C 118 176.758 176.758 175.506 1.252 18154 9080 1 12 . 1 1 118 118 ARG CA C 118 56.186 56.186 56.191 -0.005 18154 9081 1 12 . 1 1 118 118 ARG CB C 118 30.310 30.310 31.363 -1.053 18154 9082 1 12 . 1 1 118 118 ARG H H 118 8.659 8.659 8.832 -0.173 18154 9083 1 12 . 1 1 119 119 VAL N N 119 131.939 131.939 123.787 8.152 18154 9084 1 12 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.277 -0.164 18154 9085 1 12 . 1 1 119 119 VAL C C 119 176.775 176.775 176.093 0.682 18154 9086 1 12 . 1 1 119 119 VAL CA C 119 62.174 62.174 62.134 0.040 18154 9087 1 12 . 1 1 119 119 VAL CB C 119 32.394 32.394 32.924 -0.530 18154 9088 1 12 . 1 1 119 119 VAL H H 119 9.520 9.520 8.309 1.211 18154 9089 1 12 . 1 1 120 120 GLY N N 120 116.074 116.074 116.278 -0.204 18154 9090 1 12 . 1 1 120 120 GLY C C 120 172.757 172.757 173.515 -0.758 18154 9091 1 12 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.283 -1.385 18154 9092 1 12 . 1 1 120 120 GLY H H 120 8.755 8.755 8.499 0.256 18154 9093 1 12 . 1 1 121 121 GLU N N 121 118.754 118.754 120.447 -1.693 18154 9094 1 12 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.775 -0.109 18154 9095 1 12 . 1 1 121 121 GLU C C 121 177.419 177.419 176.202 1.217 18154 9096 1 12 . 1 1 121 121 GLU CA C 121 54.491 54.491 55.120 -0.629 18154 9097 1 12 . 1 1 121 121 GLU CB C 121 31.498 31.498 31.128 0.369 18154 9098 1 12 . 1 1 121 121 GLU H H 121 8.594 8.594 8.621 -0.027 18154 9099 1 12 . 1 1 122 122 MET N N 122 122.642 122.642 120.319 2.323 18154 9100 1 12 . 1 1 122 122 MET HA H 122 4.415 4.415 4.885 -0.470 18154 9101 1 12 . 1 1 122 122 MET C C 122 175.351 175.351 174.929 0.422 18154 9102 1 12 . 1 1 122 122 MET CA C 122 57.024 57.024 54.992 2.033 18154 9103 1 12 . 1 1 122 122 MET CB C 122 34.210 34.210 33.482 0.728 18154 9104 1 12 . 1 1 122 122 MET H H 122 8.892 8.892 8.488 0.404 18154 9105 1 12 . 1 1 123 123 LEU N N 123 129.535 129.535 121.911 7.624 18154 9106 1 12 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.450 -0.100 18154 9107 1 12 . 1 1 123 123 LEU C C 123 173.124 173.124 174.578 -1.454 18154 9108 1 12 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.041 0.698 18154 9109 1 12 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.896 -1.818 18154 9110 1 12 . 1 1 123 123 LEU H H 123 7.868 7.868 7.375 0.493 18154 9111 1 12 . 1 1 124 124 LEU N N 124 127.120 127.120 125.714 1.406 18154 9112 1 12 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.664 0.391 18154 9113 1 12 . 1 1 124 124 LEU C C 124 176.379 176.379 176.195 0.184 18154 9114 1 12 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.152 0.398 18154 9115 1 12 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.430 -1.052 18154 9116 1 12 . 1 1 124 124 LEU H H 124 8.346 8.346 8.248 0.098 18154 9117 1 12 . 1 1 125 125 ILE N N 125 124.337 124.337 125.062 -0.725 18154 9118 1 12 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.279 -0.100 18154 9119 1 12 . 1 1 125 125 ILE C C 125 174.303 174.303 175.086 -0.783 18154 9120 1 12 . 1 1 125 125 ILE CA C 125 61.100 61.100 62.024 -0.924 18154 9121 1 12 . 1 1 125 125 ILE CB C 125 39.943 39.943 39.977 -0.034 18154 9122 1 12 . 1 1 125 125 ILE H H 125 8.974 8.974 8.719 0.255 18154 9123 1 12 . 1 1 126 126 ASP N N 126 127.113 127.113 128.620 -1.507 18154 9124 1 12 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.562 -0.447 18154 9125 1 12 . 1 1 126 126 ASP C C 126 176.766 176.766 176.126 0.640 18154 9126 1 12 . 1 1 126 126 ASP CA C 126 51.847 51.847 51.988 -0.141 18154 9127 1 12 . 1 1 126 126 ASP CB C 126 41.100 41.100 42.432 -1.332 18154 9128 1 12 . 1 1 126 126 ASP H H 126 9.397 9.397 8.868 0.529 18154 9129 1 12 . 1 1 127 127 ALA N N 127 131.178 131.178 131.434 -0.256 18154 9130 1 12 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.510 -0.194 18154 9131 1 12 . 1 1 127 127 ALA C C 127 178.530 178.530 178.903 -0.373 18154 9132 1 12 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.002 -0.155 18154 9133 1 12 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.099 -0.307 18154 9134 1 12 . 1 1 127 127 ALA H H 127 9.696 9.696 9.203 0.493 18154 9135 1 12 . 1 1 128 128 SER N N 128 112.064 112.064 112.194 -0.130 18154 9136 1 12 . 1 1 128 128 SER HA H 128 4.224 4.224 4.247 -0.023 18154 9137 1 12 . 1 1 128 128 SER C C 128 175.000 175.000 175.599 -0.599 18154 9138 1 12 . 1 1 128 128 SER CA C 128 61.246 61.246 60.705 0.541 18154 9139 1 12 . 1 1 128 128 SER CB C 128 63.310 63.310 63.392 -0.082 18154 9140 1 12 . 1 1 128 128 SER H H 128 8.373 8.373 8.296 0.077 18154 9141 1 12 . 1 1 129 129 GLU N N 129 119.468 119.468 118.541 0.927 18154 9142 1 12 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.454 -0.054 18154 9143 1 12 . 1 1 129 129 GLU C C 129 175.947 175.947 176.165 -0.218 18154 9144 1 12 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.770 -0.355 18154 9145 1 12 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.880 -0.150 18154 9146 1 12 . 1 1 129 129 GLU H H 129 7.267 7.267 7.636 -0.369 18154 9147 1 12 . 1 1 130 130 ASN N N 130 115.968 115.968 118.041 -2.073 18154 9148 1 12 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.127 0.039 18154 9149 1 12 . 1 1 130 130 ASN C C 130 172.000 172.000 173.891 -1.891 18154 9150 1 12 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.761 -0.538 18154 9151 1 12 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.854 -0.188 18154 9152 1 12 . 1 1 130 130 ASN H H 130 8.072 8.072 8.257 -0.185 18154 9153 1 12 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.610 -0.060 18154 9154 1 12 . 1 1 131 131 PRO C C 131 176.400 176.400 176.367 0.033 18154 9155 1 12 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.577 -0.077 18154 9156 1 12 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.894 0.406 18154 9157 1 12 . 1 1 132 132 GLU N N 132 119.000 119.000 119.136 -0.136 18154 9158 1 12 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.814 0.206 18154 9159 1 12 . 1 1 132 132 GLU C C 132 174.200 174.200 175.224 -1.024 18154 9160 1 12 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.106 -0.106 18154 9161 1 12 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.382 0.318 18154 9162 1 12 . 1 1 132 132 GLU H H 132 7.690 7.690 8.078 -0.388 18154 9163 1 12 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.231 -0.231 18154 9164 1 12 . 1 1 133 133 PRO C C 133 177.391 177.391 178.167 -0.776 18154 9165 1 12 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.177 0.292 18154 9166 1 12 . 1 1 133 133 PRO CB C 133 32.145 32.145 32.003 0.142 18154 9167 1 12 . 1 1 134 134 GLU N N 134 122.846 122.846 117.926 4.920 18154 9168 1 12 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.177 1.043 18154 9169 1 12 . 1 1 134 134 GLU C C 134 178.385 178.385 178.867 -0.482 18154 9170 1 12 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.180 -1.588 18154 9171 1 12 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.689 -2.099 18154 9172 1 12 . 1 1 134 134 GLU H H 134 10.707 10.707 8.877 1.829 18154 9173 1 12 . 1 1 135 135 THR N N 135 113.016 113.016 110.698 2.318 18154 9174 1 12 . 1 1 135 135 THR HA H 135 4.182 4.182 4.197 -0.015 18154 9175 1 12 . 1 1 135 135 THR C C 135 176.460 176.460 176.003 0.457 18154 9176 1 12 . 1 1 135 135 THR CA C 135 64.752 64.752 64.921 -0.169 18154 9177 1 12 . 1 1 135 135 THR CB C 135 69.248 69.248 68.860 0.388 18154 9178 1 12 . 1 1 135 135 THR H H 135 8.168 8.168 8.251 -0.083 18154 9179 1 12 . 1 1 136 136 GLU N N 136 118.978 118.978 121.776 -2.798 18154 9180 1 12 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.389 0.175 18154 9181 1 12 . 1 1 136 136 GLU C C 136 178.370 178.370 178.670 -0.300 18154 9182 1 12 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.469 -1.556 18154 9183 1 12 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.608 1.492 18154 9184 1 12 . 1 1 136 136 GLU H H 136 7.680 7.680 7.729 -0.049 18154 9185 1 12 . 1 1 137 137 SER N N 137 116.501 116.501 115.747 0.754 18154 9186 1 12 . 1 1 137 137 SER HA H 137 4.033 4.033 4.222 -0.189 18154 9187 1 12 . 1 1 137 137 SER C C 137 175.670 175.670 176.602 -0.932 18154 9188 1 12 . 1 1 137 137 SER CA C 137 62.330 62.330 61.921 0.409 18154 9189 1 12 . 1 1 137 137 SER CB C 137 61.380 61.380 63.123 -1.743 18154 9190 1 12 . 1 1 137 137 SER H H 137 8.824 8.824 8.321 0.503 18154 9191 1 12 . 1 1 138 138 ASN N N 138 123.517 123.517 121.285 2.232 18154 9192 1 12 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.717 -0.126 18154 9193 1 12 . 1 1 138 138 ASN C C 138 175.700 175.700 175.388 0.312 18154 9194 1 12 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.755 -0.269 18154 9195 1 12 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.090 -2.837 18154 9196 1 12 . 1 1 138 138 ASN H H 138 8.564 8.564 8.491 0.073 18154 9197 1 12 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.335 0.120 18154 9198 1 12 . 1 1 139 139 PRO C C 139 180.033 180.033 178.265 1.768 18154 9199 1 12 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.243 0.367 18154 9200 1 12 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.315 -0.779 18154 9201 1 12 . 1 1 140 140 TRP N N 140 119.700 119.700 121.465 -1.765 18154 9202 1 12 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.466 -0.133 18154 9203 1 12 . 1 1 140 140 TRP C C 140 179.195 179.195 178.067 1.128 18154 9204 1 12 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.600 0.580 18154 9205 1 12 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.466 1.285 18154 9206 1 12 . 1 1 140 140 TRP H H 140 7.057 7.057 7.462 -0.405 18154 9207 1 12 . 1 1 141 141 VAL N N 141 122.879 122.879 119.376 3.503 18154 9208 1 12 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.709 0.027 18154 9209 1 12 . 1 1 141 141 VAL C C 141 177.416 177.416 178.558 -1.142 18154 9210 1 12 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.171 -0.455 18154 9211 1 12 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.581 -0.149 18154 9212 1 12 . 1 1 141 141 VAL H H 141 9.629 9.629 8.945 0.684 18154 9213 1 12 . 1 1 142 142 GLU N N 142 119.965 119.965 119.610 0.355 18154 9214 1 12 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.109 -0.377 18154 9215 1 12 . 1 1 142 142 GLU C C 142 178.800 178.800 178.680 0.120 18154 9216 1 12 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.210 0.122 18154 9217 1 12 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.370 0.190 18154 9218 1 12 . 1 1 142 142 GLU H H 142 8.551 8.551 8.104 0.447 18154 9219 1 12 . 1 1 143 143 GLN N N 143 115.364 115.364 119.498 -4.134 18154 9220 1 12 . 1 1 143 143 GLN HA H 143 4.290 4.290 4.104 0.186 18154 9221 1 12 . 1 1 143 143 GLN C C 143 177.840 177.840 177.860 -0.020 18154 9222 1 12 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.594 0.769 18154 9223 1 12 . 1 1 143 143 GLN CB C 143 29.362 29.362 29.049 0.313 18154 9224 1 12 . 1 1 143 143 GLN H H 143 7.380 7.380 7.858 -0.478 18154 9225 1 12 . 1 1 144 144 TRP N N 144 126.680 126.680 122.672 4.008 18154 9226 1 12 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.920 -0.586 18154 9227 1 12 . 1 1 144 144 TRP C C 144 178.200 178.200 178.522 -0.322 18154 9228 1 12 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.658 2.302 18154 9229 1 12 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.290 0.235 18154 9230 1 12 . 1 1 144 144 TRP H H 144 9.215 9.215 8.626 0.589 18154 9231 1 12 . 1 1 145 145 GLY N N 145 100.130 100.130 105.226 -5.096 18154 9232 1 12 . 1 1 145 145 GLY C C 145 177.391 177.391 175.547 1.844 18154 9233 1 12 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.242 -0.482 18154 9234 1 12 . 1 1 145 145 GLY H H 145 8.834 8.834 8.645 0.189 18154 9235 1 12 . 1 1 146 146 THR N N 146 110.831 110.831 113.661 -2.830 18154 9236 1 12 . 1 1 146 146 THR HA H 146 4.319 4.319 4.038 0.281 18154 9237 1 12 . 1 1 146 146 THR C C 146 175.574 175.574 175.585 -0.011 18154 9238 1 12 . 1 1 146 146 THR CA C 146 63.260 63.260 64.017 -0.757 18154 9239 1 12 . 1 1 146 146 THR CB C 146 69.660 69.660 68.609 1.051 18154 9240 1 12 . 1 1 146 146 THR H H 146 7.594 7.594 7.633 -0.039 18154 9241 1 12 . 1 1 147 147 LEU N N 147 120.678 120.678 119.786 0.892 18154 9242 1 12 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.095 -0.037 18154 9243 1 12 . 1 1 147 147 LEU C C 147 177.176 177.176 177.019 0.157 18154 9244 1 12 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.581 -1.267 18154 9245 1 12 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.375 -0.147 18154 9246 1 12 . 1 1 147 147 LEU H H 147 7.458 7.458 7.448 0.010 18154 9247 1 12 . 1 1 148 148 LEU N N 148 117.062 117.062 118.513 -1.451 18154 9248 1 12 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.666 0.052 18154 9249 1 12 . 1 1 148 148 LEU C C 148 175.570 175.570 176.990 -1.420 18154 9250 1 12 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.054 -0.103 18154 9251 1 12 . 1 1 148 148 LEU CB C 148 39.600 39.600 40.704 -1.104 18154 9252 1 12 . 1 1 148 148 LEU H H 148 6.482 6.482 6.867 -0.385 18154 9253 1 13 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.527 -0.298 18154 9254 1 13 . 1 1 2 2 ALA C C 2 173.315 173.315 176.223 -2.908 18154 9255 1 13 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.854 -0.274 18154 9256 1 13 . 1 1 2 2 ALA CB C 2 20.223 20.223 19.228 0.995 18154 9257 1 13 . 1 1 3 3 GLU N N 3 121.874 121.874 121.461 0.413 18154 9258 1 13 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.428 -0.154 18154 9259 1 13 . 1 1 3 3 GLU C C 3 174.545 174.545 175.712 -1.167 18154 9260 1 13 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.483 0.366 18154 9261 1 13 . 1 1 3 3 GLU CB C 3 31.720 31.720 31.880 -0.160 18154 9262 1 13 . 1 1 3 3 GLU H H 3 8.696 8.696 8.777 -0.081 18154 9263 1 13 . 1 1 4 4 ILE N N 4 120.672 120.672 125.487 -4.815 18154 9264 1 13 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.722 0.387 18154 9265 1 13 . 1 1 4 4 ILE C C 4 175.463 175.463 174.930 0.533 18154 9266 1 13 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.174 -0.341 18154 9267 1 13 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.465 3.205 18154 9268 1 13 . 1 1 4 4 ILE H H 4 8.860 8.860 9.192 -0.332 18154 9269 1 13 . 1 1 5 5 GLY N N 5 119.310 119.310 114.733 4.577 18154 9270 1 13 . 1 1 5 5 GLY C C 5 171.260 171.260 172.754 -1.494 18154 9271 1 13 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.270 0.550 18154 9272 1 13 . 1 1 5 5 GLY H H 5 8.469 8.469 8.080 0.389 18154 9273 1 13 . 1 1 6 6 ILE N N 6 126.915 126.915 125.720 1.195 18154 9274 1 13 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.029 0.161 18154 9275 1 13 . 1 1 6 6 ILE C C 6 173.901 173.901 174.446 -0.545 18154 9276 1 13 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.607 -0.607 18154 9277 1 13 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.817 -1.817 18154 9278 1 13 . 1 1 6 6 ILE H H 6 9.056 9.056 9.101 -0.045 18154 9279 1 13 . 1 1 7 7 PHE N N 7 127.354 127.354 127.266 0.088 18154 9280 1 13 . 1 1 7 7 PHE HA H 7 4.512 4.512 4.882 -0.370 18154 9281 1 13 . 1 1 7 7 PHE C C 7 174.230 174.230 174.166 0.064 18154 9282 1 13 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.693 1.717 18154 9283 1 13 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.719 1.009 18154 9284 1 13 . 1 1 7 7 PHE H H 7 8.960 8.960 9.369 -0.409 18154 9285 1 13 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.141 -0.081 18154 9286 1 13 . 1 1 8 8 VAL C C 8 175.450 175.450 175.837 -0.387 18154 9287 1 13 . 1 1 8 8 VAL CA C 8 61.200 61.200 59.945 1.255 18154 9288 1 13 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.104 0.333 18154 9289 1 13 . 1 1 9 9 GLY N N 9 115.000 115.000 115.097 -0.097 18154 9290 1 13 . 1 1 9 9 GLY C C 9 173.150 173.150 172.097 1.053 18154 9291 1 13 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.758 0.242 18154 9292 1 13 . 1 1 9 9 GLY H H 9 9.393 9.393 8.461 0.932 18154 9293 1 13 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.613 0.082 18154 9294 1 13 . 1 1 12 12 TYR C C 12 176.560 176.560 176.092 0.468 18154 9295 1 13 . 1 1 12 12 TYR CA C 12 57.750 57.750 56.383 1.367 18154 9296 1 13 . 1 1 12 12 TYR CB C 12 38.000 38.000 36.917 1.083 18154 9297 1 13 . 1 1 13 13 GLY N N 13 109.870 109.870 110.260 -0.390 18154 9298 1 13 . 1 1 13 13 GLY C C 13 175.930 175.930 174.026 1.904 18154 9299 1 13 . 1 1 13 13 GLY CA C 13 46.000 46.000 45.034 0.966 18154 9300 1 13 . 1 1 13 13 GLY H H 13 8.500 8.500 7.637 0.863 18154 9301 1 13 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.170 0.060 18154 9302 1 13 . 1 1 17 17 LEU C C 17 179.210 179.210 177.594 1.616 18154 9303 1 13 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.596 0.804 18154 9304 1 13 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.924 -0.624 18154 9305 1 13 . 1 1 18 18 VAL N N 18 117.231 117.231 117.434 -0.203 18154 9306 1 13 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.571 -0.248 18154 9307 1 13 . 1 1 18 18 VAL C C 18 178.460 178.460 177.691 0.769 18154 9308 1 13 . 1 1 18 18 VAL CA C 18 66.866 66.866 65.829 1.036 18154 9309 1 13 . 1 1 18 18 VAL CB C 18 31.460 31.460 31.195 0.265 18154 9310 1 13 . 1 1 18 18 VAL H H 18 7.645 7.645 7.788 -0.143 18154 9311 1 13 . 1 1 19 19 ALA N N 19 121.820 121.820 121.135 0.685 18154 9312 1 13 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.960 -0.144 18154 9313 1 13 . 1 1 19 19 ALA C C 19 178.180 178.180 179.460 -1.280 18154 9314 1 13 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.465 0.111 18154 9315 1 13 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.012 1.988 18154 9316 1 13 . 1 1 19 19 ALA H H 19 8.010 8.010 8.221 -0.211 18154 9317 1 13 . 1 1 20 20 GLU N N 20 118.960 118.960 118.070 0.890 18154 9318 1 13 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.007 0.009 18154 9319 1 13 . 1 1 20 20 GLU C C 20 180.950 180.950 179.275 1.675 18154 9320 1 13 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.125 0.541 18154 9321 1 13 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.422 -0.121 18154 9322 1 13 . 1 1 20 20 GLU H H 20 8.700 8.700 7.973 0.727 18154 9323 1 13 . 1 1 21 21 GLU N N 21 121.371 121.371 119.635 1.736 18154 9324 1 13 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.073 -0.029 18154 9325 1 13 . 1 1 21 21 GLU C C 21 179.419 179.419 178.776 0.643 18154 9326 1 13 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.179 0.131 18154 9327 1 13 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.250 0.311 18154 9328 1 13 . 1 1 21 21 GLU H H 21 8.632 8.632 7.939 0.693 18154 9329 1 13 . 1 1 22 22 ALA N N 22 121.329 121.329 122.702 -1.373 18154 9330 1 13 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.080 -0.022 18154 9331 1 13 . 1 1 22 22 ALA C C 22 178.823 178.823 179.332 -0.509 18154 9332 1 13 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.754 -1.077 18154 9333 1 13 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.067 -0.424 18154 9334 1 13 . 1 1 22 22 ALA H H 22 8.182 8.182 8.649 -0.467 18154 9335 1 13 . 1 1 23 23 GLU N N 23 119.035 119.035 119.620 -0.585 18154 9336 1 13 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.054 -0.650 18154 9337 1 13 . 1 1 23 23 GLU C C 23 178.375 178.375 178.624 -0.249 18154 9338 1 13 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.616 0.692 18154 9339 1 13 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.448 -0.518 18154 9340 1 13 . 1 1 23 23 GLU H H 23 8.387 8.387 7.942 0.445 18154 9341 1 13 . 1 1 24 24 ALA N N 24 122.207 122.207 122.578 -0.371 18154 9342 1 13 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.099 -0.069 18154 9343 1 13 . 1 1 24 24 ALA C C 24 181.132 181.132 179.911 1.221 18154 9344 1 13 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.091 0.396 18154 9345 1 13 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.614 -0.614 18154 9346 1 13 . 1 1 24 24 ALA H H 24 7.535 7.535 7.933 -0.398 18154 9347 1 13 . 1 1 25 25 ILE N N 25 121.059 121.059 119.940 1.119 18154 9348 1 13 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.703 -0.039 18154 9349 1 13 . 1 1 25 25 ILE C C 25 178.419 178.419 177.904 0.515 18154 9350 1 13 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.073 -0.965 18154 9351 1 13 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.120 0.843 18154 9352 1 13 . 1 1 25 25 ILE H H 25 7.800 7.800 8.593 -0.793 18154 9353 1 13 . 1 1 26 26 LEU N N 26 119.307 119.307 120.586 -1.279 18154 9354 1 13 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.175 0.001 18154 9355 1 13 . 1 1 26 26 LEU C C 26 179.863 179.863 179.756 0.107 18154 9356 1 13 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.183 -0.237 18154 9357 1 13 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.357 -0.217 18154 9358 1 13 . 1 1 26 26 LEU H H 26 8.509 8.509 8.351 0.158 18154 9359 1 13 . 1 1 27 27 THR N N 27 117.830 117.830 116.043 1.787 18154 9360 1 13 . 1 1 27 27 THR HA H 27 4.524 4.524 4.366 0.158 18154 9361 1 13 . 1 1 27 27 THR C C 27 179.027 179.027 176.538 2.489 18154 9362 1 13 . 1 1 27 27 THR CA C 27 66.000 66.000 66.635 -0.635 18154 9363 1 13 . 1 1 27 27 THR CB C 27 68.600 68.600 68.649 -0.049 18154 9364 1 13 . 1 1 27 27 THR H H 27 8.796 8.796 8.596 0.200 18154 9365 1 13 . 1 1 28 28 ALA N N 28 126.313 126.313 123.346 2.967 18154 9366 1 13 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.148 0.057 18154 9367 1 13 . 1 1 28 28 ALA C C 28 179.360 179.360 179.594 -0.234 18154 9368 1 13 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.396 0.604 18154 9369 1 13 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.204 -0.554 18154 9370 1 13 . 1 1 28 28 ALA H H 28 7.832 7.832 7.983 -0.151 18154 9371 1 13 . 1 1 29 29 GLN N N 29 115.527 115.527 117.033 -1.506 18154 9372 1 13 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.107 0.020 18154 9373 1 13 . 1 1 29 29 GLN C C 29 176.547 176.547 176.704 -0.157 18154 9374 1 13 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.751 -0.188 18154 9375 1 13 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.452 -0.042 18154 9376 1 13 . 1 1 29 29 GLN H H 29 7.353 7.353 8.301 -0.948 18154 9377 1 13 . 1 1 30 30 GLY N N 30 105.961 105.961 105.106 0.855 18154 9378 1 13 . 1 1 30 30 GLY C C 30 174.785 174.785 173.754 1.031 18154 9379 1 13 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.574 -0.074 18154 9380 1 13 . 1 1 30 30 GLY H H 30 7.923 7.923 7.716 0.207 18154 9381 1 13 . 1 1 31 31 HIS N N 31 119.471 119.471 117.354 2.117 18154 9382 1 13 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.623 0.212 18154 9383 1 13 . 1 1 31 31 HIS C C 31 174.665 174.665 173.922 0.743 18154 9384 1 13 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.709 1.133 18154 9385 1 13 . 1 1 31 31 HIS CB C 31 32.000 32.000 32.485 -0.485 18154 9386 1 13 . 1 1 31 31 HIS H H 31 7.558 7.558 8.057 -0.499 18154 9387 1 13 . 1 1 32 32 LYS N N 32 121.854 121.854 121.956 -0.102 18154 9388 1 13 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.480 0.243 18154 9389 1 13 . 1 1 32 32 LYS C C 32 174.466 174.466 174.712 -0.246 18154 9390 1 13 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.496 0.369 18154 9391 1 13 . 1 1 32 32 LYS CB C 32 32.960 32.960 31.299 1.661 18154 9392 1 13 . 1 1 32 32 LYS H H 32 8.665 8.665 8.660 0.005 18154 9393 1 13 . 1 1 33 33 ALA N N 33 130.188 130.188 128.953 1.235 18154 9394 1 13 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.407 0.411 18154 9395 1 13 . 1 1 33 33 ALA C C 33 175.567 175.567 176.857 -1.290 18154 9396 1 13 . 1 1 33 33 ALA CA C 33 49.976 49.976 51.072 -1.096 18154 9397 1 13 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.086 1.211 18154 9398 1 13 . 1 1 33 33 ALA H H 33 8.837 8.837 7.822 1.015 18154 9399 1 13 . 1 1 34 34 THR N N 34 117.164 117.164 116.096 1.068 18154 9400 1 13 . 1 1 34 34 THR HA H 34 4.359 4.359 4.595 -0.236 18154 9401 1 13 . 1 1 34 34 THR C C 34 171.315 171.315 172.797 -1.482 18154 9402 1 13 . 1 1 34 34 THR CA C 34 61.840 61.840 61.306 0.534 18154 9403 1 13 . 1 1 34 34 THR CB C 34 71.800 71.800 72.652 -0.852 18154 9404 1 13 . 1 1 34 34 THR H H 34 7.826 7.826 9.051 -1.225 18154 9405 1 13 . 1 1 35 35 VAL N N 35 126.650 126.650 125.543 1.107 18154 9406 1 13 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.624 -0.441 18154 9407 1 13 . 1 1 35 35 VAL C C 35 174.675 174.675 174.075 0.600 18154 9408 1 13 . 1 1 35 35 VAL CA C 35 61.928 61.928 59.858 2.070 18154 9409 1 13 . 1 1 35 35 VAL CB C 35 32.650 32.650 33.729 -1.079 18154 9410 1 13 . 1 1 35 35 VAL H H 35 8.496 8.496 8.348 0.148 18154 9411 1 13 . 1 1 36 36 PHE N N 36 127.630 127.630 126.622 1.008 18154 9412 1 13 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.788 -0.237 18154 9413 1 13 . 1 1 36 36 PHE C C 36 174.347 174.347 174.073 0.274 18154 9414 1 13 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.378 1.104 18154 9415 1 13 . 1 1 36 36 PHE CB C 36 40.165 40.165 41.875 -1.710 18154 9416 1 13 . 1 1 36 36 PHE H H 36 9.164 9.164 9.022 0.142 18154 9417 1 13 . 1 1 37 37 GLU N N 37 123.516 123.516 121.230 2.286 18154 9418 1 13 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.540 -0.070 18154 9419 1 13 . 1 1 37 37 GLU C C 37 175.954 175.954 175.574 0.380 18154 9420 1 13 . 1 1 37 37 GLU CA C 37 55.719 55.719 55.705 0.014 18154 9421 1 13 . 1 1 37 37 GLU CB C 37 31.460 31.460 32.506 -1.046 18154 9422 1 13 . 1 1 37 37 GLU H H 37 8.455 8.455 8.494 -0.039 18154 9423 1 13 . 1 1 38 38 ASP N N 38 120.395 120.395 122.945 -2.550 18154 9424 1 13 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.390 0.443 18154 9425 1 13 . 1 1 38 38 ASP C C 38 173.920 173.920 174.289 -0.369 18154 9426 1 13 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.127 0.350 18154 9427 1 13 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.376 0.228 18154 9428 1 13 . 1 1 38 38 ASP H H 38 9.602 9.602 8.757 0.845 18154 9429 1 13 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.499 0.181 18154 9430 1 13 . 1 1 39 39 PRO C C 39 176.274 176.274 176.234 0.040 18154 9431 1 13 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.371 -0.387 18154 9432 1 13 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.797 1.603 18154 9433 1 13 . 1 1 40 40 GLU N N 40 119.026 119.026 122.786 -3.760 18154 9434 1 13 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.538 0.190 18154 9435 1 13 . 1 1 40 40 GLU C C 40 177.827 177.827 177.842 -0.015 18154 9436 1 13 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.108 -1.138 18154 9437 1 13 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.334 2.066 18154 9438 1 13 . 1 1 40 40 GLU H H 40 9.178 9.178 8.483 0.695 18154 9439 1 13 . 1 1 41 41 LEU N N 41 123.708 123.708 125.403 -1.695 18154 9440 1 13 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.211 -0.317 18154 9441 1 13 . 1 1 41 41 LEU C C 41 178.730 178.730 177.945 0.785 18154 9442 1 13 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.646 0.761 18154 9443 1 13 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.747 -0.094 18154 9444 1 13 . 1 1 41 41 LEU H H 41 9.160 9.160 8.847 0.313 18154 9445 1 13 . 1 1 42 42 SER N N 42 110.500 110.500 114.468 -3.968 18154 9446 1 13 . 1 1 42 42 SER HA H 42 4.010 4.010 4.301 -0.291 18154 9447 1 13 . 1 1 42 42 SER C C 42 176.300 176.300 175.051 1.249 18154 9448 1 13 . 1 1 42 42 SER CA C 42 61.600 61.600 60.782 0.818 18154 9449 1 13 . 1 1 42 42 SER CB C 42 62.140 62.140 62.791 -0.651 18154 9450 1 13 . 1 1 42 42 SER H H 42 8.415 8.415 8.581 -0.166 18154 9451 1 13 . 1 1 43 43 ASP N N 43 119.770 119.770 120.743 -0.973 18154 9452 1 13 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.731 -0.274 18154 9453 1 13 . 1 1 43 43 ASP C C 43 176.150 176.150 176.303 -0.153 18154 9454 1 13 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.475 1.274 18154 9455 1 13 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.027 1.673 18154 9456 1 13 . 1 1 43 43 ASP H H 43 7.690 7.690 7.990 -0.300 18154 9457 1 13 . 1 1 44 44 TRP N N 44 118.500 118.500 121.326 -2.826 18154 9458 1 13 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.425 -0.215 18154 9459 1 13 . 1 1 44 44 TRP C C 44 177.150 177.150 177.623 -0.473 18154 9460 1 13 . 1 1 44 44 TRP CA C 44 59.387 59.387 59.328 0.059 18154 9461 1 13 . 1 1 44 44 TRP CB C 44 30.310 30.310 29.813 0.497 18154 9462 1 13 . 1 1 44 44 TRP H H 44 7.464 7.464 7.314 0.150 18154 9463 1 13 . 1 1 45 45 LEU N N 45 114.100 114.100 121.227 -7.127 18154 9464 1 13 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.042 0.133 18154 9465 1 13 . 1 1 45 45 LEU C C 45 176.300 176.300 176.024 0.276 18154 9466 1 13 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.459 -0.899 18154 9467 1 13 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.358 -0.138 18154 9468 1 13 . 1 1 45 45 LEU H H 45 7.550 7.550 8.789 -1.239 18154 9469 1 13 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.254 0.126 18154 9470 1 13 . 1 1 46 46 PRO C C 46 176.799 176.799 176.913 -0.114 18154 9471 1 13 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.170 1.117 18154 9472 1 13 . 1 1 46 46 PRO CB C 46 31.600 31.600 30.982 0.618 18154 9473 1 13 . 1 1 47 47 TYR N N 47 113.790 113.790 117.901 -4.111 18154 9474 1 13 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.580 -0.460 18154 9475 1 13 . 1 1 47 47 TYR C C 47 175.730 175.730 178.357 -2.627 18154 9476 1 13 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.572 1.629 18154 9477 1 13 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.423 0.593 18154 9478 1 13 . 1 1 47 47 TYR H H 47 8.291 8.291 8.270 0.021 18154 9479 1 13 . 1 1 48 48 GLN N N 48 116.524 116.524 120.801 -4.277 18154 9480 1 13 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.988 -0.103 18154 9481 1 13 . 1 1 48 48 GLN C C 48 174.381 174.381 176.586 -2.205 18154 9482 1 13 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.751 0.075 18154 9483 1 13 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.959 2.041 18154 9484 1 13 . 1 1 48 48 GLN H H 48 7.300 7.300 7.513 -0.213 18154 9485 1 13 . 1 1 49 49 ASP N N 49 114.657 114.657 114.526 0.131 18154 9486 1 13 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.715 -0.028 18154 9487 1 13 . 1 1 49 49 ASP C C 49 176.307 176.307 176.364 -0.057 18154 9488 1 13 . 1 1 49 49 ASP CA C 49 51.735 51.735 54.154 -2.419 18154 9489 1 13 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.468 -1.268 18154 9490 1 13 . 1 1 49 49 ASP H H 49 7.854 7.854 8.618 -0.764 18154 9491 1 13 . 1 1 50 50 LYS N N 50 123.514 123.514 119.446 4.068 18154 9492 1 13 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.480 0.110 18154 9493 1 13 . 1 1 50 50 LYS C C 50 172.964 172.964 175.157 -2.193 18154 9494 1 13 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.736 -1.043 18154 9495 1 13 . 1 1 50 50 LYS CB C 50 33.355 33.355 34.640 -1.285 18154 9496 1 13 . 1 1 50 50 LYS H H 50 7.833 7.833 7.631 0.202 18154 9497 1 13 . 1 1 51 51 TYR N N 51 118.375 118.375 116.070 2.305 18154 9498 1 13 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.783 0.272 18154 9499 1 13 . 1 1 51 51 TYR C C 51 175.875 175.875 176.008 -0.133 18154 9500 1 13 . 1 1 51 51 TYR CA C 51 56.421 56.421 56.872 -0.451 18154 9501 1 13 . 1 1 51 51 TYR CB C 51 42.477 42.477 41.871 0.606 18154 9502 1 13 . 1 1 51 51 TYR H H 51 7.745 7.745 8.610 -0.865 18154 9503 1 13 . 1 1 52 52 VAL N N 52 112.527 112.527 115.414 -2.887 18154 9504 1 13 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.980 0.520 18154 9505 1 13 . 1 1 52 52 VAL C C 52 173.910 173.910 174.039 -0.129 18154 9506 1 13 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.544 -1.849 18154 9507 1 13 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.412 1.080 18154 9508 1 13 . 1 1 52 52 VAL H H 52 8.673 8.673 8.450 0.223 18154 9509 1 13 . 1 1 53 53 LEU N N 53 124.294 124.294 124.613 -0.319 18154 9510 1 13 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.203 -0.303 18154 9511 1 13 . 1 1 53 53 LEU C C 53 175.070 175.070 174.421 0.649 18154 9512 1 13 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.632 -1.066 18154 9513 1 13 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.324 -1.094 18154 9514 1 13 . 1 1 53 53 LEU H H 53 9.137 9.137 9.094 0.043 18154 9515 1 13 . 1 1 54 54 VAL N N 54 127.850 127.850 126.979 0.871 18154 9516 1 13 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.606 -0.096 18154 9517 1 13 . 1 1 54 54 VAL C C 54 174.030 174.030 174.520 -0.490 18154 9518 1 13 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.581 0.244 18154 9519 1 13 . 1 1 54 54 VAL CB C 54 32.691 32.691 32.661 0.030 18154 9520 1 13 . 1 1 54 54 VAL H H 54 8.619 8.619 8.866 -0.247 18154 9521 1 13 . 1 1 55 55 VAL N N 55 127.181 127.181 127.692 -0.511 18154 9522 1 13 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.958 0.127 18154 9523 1 13 . 1 1 55 55 VAL C C 55 174.942 174.942 174.584 0.358 18154 9524 1 13 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.690 -0.621 18154 9525 1 13 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.591 -0.369 18154 9526 1 13 . 1 1 55 55 VAL H H 55 8.578 8.578 9.032 -0.454 18154 9527 1 13 . 1 1 56 56 THR N N 56 117.420 117.420 122.631 -5.211 18154 9528 1 13 . 1 1 56 56 THR HA H 56 5.590 5.590 4.971 0.619 18154 9529 1 13 . 1 1 56 56 THR C C 56 172.640 172.640 173.162 -0.522 18154 9530 1 13 . 1 1 56 56 THR CA C 56 59.359 59.359 60.993 -1.634 18154 9531 1 13 . 1 1 56 56 THR CB C 56 70.715 70.715 70.511 0.204 18154 9532 1 13 . 1 1 56 56 THR H H 56 8.710 8.710 8.790 -0.080 18154 9533 1 13 . 1 1 57 57 SER HA H 57 5.250 5.250 4.903 0.347 18154 9534 1 13 . 1 1 57 57 SER CA C 57 57.730 57.730 58.017 -0.287 18154 9535 1 13 . 1 1 57 57 SER CB C 57 64.500 64.500 64.365 0.135 18154 9536 1 13 . 1 1 57 57 SER H H 57 8.075 8.075 8.648 -0.573 18154 9537 1 13 . 1 1 58 58 THR H H 58 7.900 7.900 8.394 -0.494 18154 9538 1 13 . 1 1 59 59 THR HA H 59 4.900 4.900 3.792 1.108 18154 9539 1 13 . 1 1 59 59 THR CA C 59 61.200 61.200 66.156 -4.956 18154 9540 1 13 . 1 1 59 59 THR CB C 59 73.400 73.400 68.831 4.569 18154 9541 1 13 . 1 1 59 59 THR H H 59 9.230 9.230 8.207 1.023 18154 9542 1 13 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.093 1.407 18154 9543 1 13 . 1 1 61 61 GLN HA H 61 4.406 4.406 3.860 0.546 18154 9544 1 13 . 1 1 61 61 GLN C C 61 175.950 175.950 176.248 -0.298 18154 9545 1 13 . 1 1 61 61 GLN CA C 61 55.350 55.350 56.388 -1.038 18154 9546 1 13 . 1 1 61 61 GLN CB C 61 29.160 29.160 26.720 2.440 18154 9547 1 13 . 1 1 62 62 GLY N N 62 108.420 108.420 105.367 3.053 18154 9548 1 13 . 1 1 62 62 GLY C C 62 173.134 173.134 174.633 -1.499 18154 9549 1 13 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.922 0.862 18154 9550 1 13 . 1 1 62 62 GLY H H 62 8.073 8.073 7.870 0.203 18154 9551 1 13 . 1 1 63 63 ASP N N 63 118.400 118.400 121.373 -2.973 18154 9552 1 13 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.527 0.253 18154 9553 1 13 . 1 1 63 63 ASP CA C 63 53.296 53.296 54.795 -1.499 18154 9554 1 13 . 1 1 63 63 ASP CB C 63 42.740 42.740 41.766 0.974 18154 9555 1 13 . 1 1 63 63 ASP H H 63 7.248 7.248 7.787 -0.539 18154 9556 1 13 . 1 1 64 64 LEU HA H 64 4.400 4.400 3.848 0.552 18154 9557 1 13 . 1 1 64 64 LEU CA C 64 53.150 53.150 54.605 -1.455 18154 9558 1 13 . 1 1 64 64 LEU CB C 64 41.687 41.687 41.109 0.578 18154 9559 1 13 . 1 1 64 64 LEU H H 64 8.445 8.445 7.626 0.819 18154 9560 1 13 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.311 -0.018 18154 9561 1 13 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.803 -0.459 18154 9562 1 13 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.429 0.051 18154 9563 1 13 . 1 1 66 66 ASP N N 66 121.200 121.200 123.799 -2.599 18154 9564 1 13 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.281 -0.021 18154 9565 1 13 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.481 1.149 18154 9566 1 13 . 1 1 66 66 ASP CB C 66 40.800 40.800 41.054 -0.255 18154 9567 1 13 . 1 1 66 66 ASP H H 66 8.605 8.605 8.216 0.389 18154 9568 1 13 . 1 1 67 67 SER HA H 67 4.292 4.292 4.308 -0.016 18154 9569 1 13 . 1 1 67 67 SER C C 67 175.650 175.650 175.045 0.605 18154 9570 1 13 . 1 1 67 67 SER CA C 67 60.500 60.500 60.509 -0.009 18154 9571 1 13 . 1 1 67 67 SER CB C 67 63.530 63.530 63.561 -0.031 18154 9572 1 13 . 1 1 68 68 ILE N N 68 120.550 120.550 120.330 0.220 18154 9573 1 13 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.312 0.798 18154 9574 1 13 . 1 1 68 68 ILE C C 68 174.713 174.713 176.390 -1.677 18154 9575 1 13 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.742 -0.342 18154 9576 1 13 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.026 4.213 18154 9577 1 13 . 1 1 68 68 ILE H H 68 7.870 7.870 7.575 0.295 18154 9578 1 13 . 1 1 69 69 VAL N N 69 125.740 125.740 123.453 2.287 18154 9579 1 13 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.632 0.113 18154 9580 1 13 . 1 1 69 69 VAL C C 69 174.500 174.500 174.871 -0.371 18154 9581 1 13 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.625 -1.075 18154 9582 1 13 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.414 0.716 18154 9583 1 13 . 1 1 69 69 VAL H H 69 7.428 7.428 8.616 -1.188 18154 9584 1 13 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.316 -0.024 18154 9585 1 13 . 1 1 70 70 PRO C C 70 180.820 180.820 178.828 1.992 18154 9586 1 13 . 1 1 70 70 PRO CA C 70 66.470 66.470 65.954 0.516 18154 9587 1 13 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.224 -0.567 18154 9588 1 13 . 1 1 71 71 LEU N N 71 119.467 119.467 120.141 -0.674 18154 9589 1 13 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.059 -0.214 18154 9590 1 13 . 1 1 71 71 LEU C C 71 176.489 176.489 178.331 -1.842 18154 9591 1 13 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.791 0.416 18154 9592 1 13 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.769 -0.283 18154 9593 1 13 . 1 1 71 71 LEU H H 71 7.918 7.918 7.311 0.607 18154 9594 1 13 . 1 1 72 72 PHE N N 72 119.361 119.361 119.663 -0.302 18154 9595 1 13 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.288 -0.143 18154 9596 1 13 . 1 1 72 72 PHE C C 72 175.968 175.968 177.099 -1.131 18154 9597 1 13 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.734 0.087 18154 9598 1 13 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.637 0.910 18154 9599 1 13 . 1 1 72 72 PHE H H 72 7.903 7.903 8.765 -0.862 18154 9600 1 13 . 1 1 73 73 GLN N N 73 116.100 116.100 116.603 -0.503 18154 9601 1 13 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.737 -0.210 18154 9602 1 13 . 1 1 73 73 GLN C C 73 177.871 177.871 178.519 -0.648 18154 9603 1 13 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.819 -0.679 18154 9604 1 13 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.449 -0.302 18154 9605 1 13 . 1 1 73 73 GLN H H 73 9.042 9.042 8.754 0.288 18154 9606 1 13 . 1 1 74 74 GLY N N 74 107.110 107.110 108.767 -1.657 18154 9607 1 13 . 1 1 74 74 GLY C C 74 175.894 175.894 176.097 -0.203 18154 9608 1 13 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.926 0.354 18154 9609 1 13 . 1 1 74 74 GLY H H 74 8.045 8.045 8.002 0.043 18154 9610 1 13 . 1 1 75 75 ILE N N 75 123.629 123.629 122.848 0.781 18154 9611 1 13 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.337 -0.287 18154 9612 1 13 . 1 1 75 75 ILE C C 75 178.622 178.622 177.156 1.466 18154 9613 1 13 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.995 0.262 18154 9614 1 13 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.391 0.577 18154 9615 1 13 . 1 1 75 75 ILE H H 75 8.174 8.174 8.065 0.109 18154 9616 1 13 . 1 1 76 76 LYS N N 76 119.363 119.363 118.585 0.778 18154 9617 1 13 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.754 -0.449 18154 9618 1 13 . 1 1 76 76 LYS C C 76 177.909 177.909 178.236 -0.327 18154 9619 1 13 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.289 0.416 18154 9620 1 13 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.903 0.447 18154 9621 1 13 . 1 1 76 76 LYS H H 76 7.600 7.600 7.355 0.245 18154 9622 1 13 . 1 1 77 77 ASP N N 77 115.190 115.190 118.281 -3.091 18154 9623 1 13 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.604 -0.122 18154 9624 1 13 . 1 1 77 77 ASP C C 77 178.825 178.825 178.162 0.663 18154 9625 1 13 . 1 1 77 77 ASP CA C 77 56.280 56.280 55.870 0.410 18154 9626 1 13 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.755 -0.565 18154 9627 1 13 . 1 1 77 77 ASP H H 77 8.482 8.482 8.274 0.208 18154 9628 1 13 . 1 1 78 78 SER N N 78 112.576 112.576 115.815 -3.239 18154 9629 1 13 . 1 1 78 78 SER HA H 78 4.728 4.728 4.377 0.351 18154 9630 1 13 . 1 1 78 78 SER C C 78 174.556 174.556 175.066 -0.510 18154 9631 1 13 . 1 1 78 78 SER CA C 78 60.045 60.045 59.935 0.110 18154 9632 1 13 . 1 1 78 78 SER CB C 78 64.643 64.643 64.022 0.621 18154 9633 1 13 . 1 1 78 78 SER H H 78 8.273 8.273 7.993 0.280 18154 9634 1 13 . 1 1 79 79 LEU N N 79 120.833 120.833 120.976 -0.143 18154 9635 1 13 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.433 0.382 18154 9636 1 13 . 1 1 79 79 LEU C C 79 176.251 176.251 178.719 -2.468 18154 9637 1 13 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.184 -2.224 18154 9638 1 13 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.366 -3.170 18154 9639 1 13 . 1 1 79 79 LEU H H 79 7.025 7.025 7.560 -0.535 18154 9640 1 13 . 1 1 80 80 GLY N N 80 108.861 108.861 107.209 1.652 18154 9641 1 13 . 1 1 80 80 GLY C C 80 173.623 173.623 173.674 -0.051 18154 9642 1 13 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.398 -0.169 18154 9643 1 13 . 1 1 80 80 GLY H H 80 7.499 7.499 8.193 -0.694 18154 9644 1 13 . 1 1 81 81 PHE N N 81 121.441 121.441 119.116 2.325 18154 9645 1 13 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.887 0.173 18154 9646 1 13 . 1 1 81 81 PHE C C 81 174.411 174.411 172.567 1.844 18154 9647 1 13 . 1 1 81 81 PHE CA C 81 57.211 57.211 56.830 0.381 18154 9648 1 13 . 1 1 81 81 PHE CB C 81 40.620 40.620 42.204 -1.584 18154 9649 1 13 . 1 1 81 81 PHE H H 81 8.018 8.018 7.318 0.700 18154 9650 1 13 . 1 1 82 82 GLN N N 82 126.480 126.480 122.492 3.988 18154 9651 1 13 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.584 0.306 18154 9652 1 13 . 1 1 82 82 GLN C C 82 172.700 172.700 173.288 -0.588 18154 9653 1 13 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.186 1.991 18154 9654 1 13 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.211 2.389 18154 9655 1 13 . 1 1 82 82 GLN H H 82 9.588 9.588 7.545 2.043 18154 9656 1 13 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.184 0.189 18154 9657 1 13 . 1 1 83 83 PRO C C 83 178.163 178.163 176.598 1.565 18154 9658 1 13 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.269 -0.578 18154 9659 1 13 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.698 -0.833 18154 9660 1 13 . 1 1 84 84 ASN N N 84 116.900 116.900 113.659 3.241 18154 9661 1 13 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.811 -0.042 18154 9662 1 13 . 1 1 84 84 ASN C C 84 173.332 173.332 173.458 -0.126 18154 9663 1 13 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.684 -0.124 18154 9664 1 13 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.453 -1.193 18154 9665 1 13 . 1 1 84 84 ASN H H 84 8.578 8.578 7.827 0.751 18154 9666 1 13 . 1 1 85 85 LEU N N 85 124.380 124.380 122.678 1.702 18154 9667 1 13 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.142 -0.096 18154 9668 1 13 . 1 1 85 85 LEU C C 85 175.880 175.880 176.030 -0.150 18154 9669 1 13 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.993 0.849 18154 9670 1 13 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.151 -0.851 18154 9671 1 13 . 1 1 85 85 LEU H H 85 7.240 7.240 7.649 -0.409 18154 9672 1 13 . 1 1 86 86 ARG N N 86 128.715 128.715 123.080 5.635 18154 9673 1 13 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.577 0.217 18154 9674 1 13 . 1 1 86 86 ARG C C 86 175.554 175.554 175.341 0.213 18154 9675 1 13 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.281 1.161 18154 9676 1 13 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.225 -0.352 18154 9677 1 13 . 1 1 86 86 ARG H H 86 7.732 7.732 7.704 0.028 18154 9678 1 13 . 1 1 87 87 TYR N N 87 117.420 117.420 117.996 -0.576 18154 9679 1 13 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.875 0.890 18154 9680 1 13 . 1 1 87 87 TYR C C 87 172.931 172.931 173.651 -0.720 18154 9681 1 13 . 1 1 87 87 TYR CA C 87 55.261 55.261 55.984 -0.723 18154 9682 1 13 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.714 3.224 18154 9683 1 13 . 1 1 87 87 TYR H H 87 8.783 8.783 8.049 0.734 18154 9684 1 13 . 1 1 88 88 GLY N N 88 107.765 107.765 105.467 2.298 18154 9685 1 13 . 1 1 88 88 GLY C C 88 172.621 172.621 171.804 0.817 18154 9686 1 13 . 1 1 88 88 GLY CA C 88 43.861 43.861 43.395 0.466 18154 9687 1 13 . 1 1 88 88 GLY H H 88 8.905 8.905 8.702 0.203 18154 9688 1 13 . 1 1 89 89 VAL N N 89 118.180 118.180 118.516 -0.336 18154 9689 1 13 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.856 0.145 18154 9690 1 13 . 1 1 89 89 VAL C C 89 172.939 172.939 173.867 -0.928 18154 9691 1 13 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.863 0.136 18154 9692 1 13 . 1 1 89 89 VAL CB C 89 36.398 36.398 36.179 0.219 18154 9693 1 13 . 1 1 89 89 VAL H H 89 7.499 7.499 8.432 -0.933 18154 9694 1 13 . 1 1 90 90 ILE N N 90 125.000 125.000 124.983 0.017 18154 9695 1 13 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.057 0.070 18154 9696 1 13 . 1 1 90 90 ILE C C 90 173.099 173.099 173.663 -0.564 18154 9697 1 13 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.877 0.611 18154 9698 1 13 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.159 0.239 18154 9699 1 13 . 1 1 90 90 ILE H H 90 8.810 8.810 8.849 -0.039 18154 9700 1 13 . 1 1 91 91 ALA N N 91 129.036 129.036 129.829 -0.793 18154 9701 1 13 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.364 -0.038 18154 9702 1 13 . 1 1 91 91 ALA C C 91 174.000 174.000 175.832 -1.832 18154 9703 1 13 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.724 -0.724 18154 9704 1 13 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.040 1.060 18154 9705 1 13 . 1 1 91 91 ALA H H 91 9.253 9.253 8.876 0.377 18154 9706 1 13 . 1 1 92 92 LEU HA H 92 4.931 4.931 4.999 -0.068 18154 9707 1 13 . 1 1 92 92 LEU C C 92 177.366 177.366 176.747 0.619 18154 9708 1 13 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.227 0.690 18154 9709 1 13 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.168 -2.768 18154 9710 1 13 . 1 1 93 93 GLY N N 93 110.663 110.663 108.558 2.105 18154 9711 1 13 . 1 1 93 93 GLY C C 93 172.029 172.029 171.841 0.188 18154 9712 1 13 . 1 1 93 93 GLY CA C 93 45.730 45.730 46.132 -0.402 18154 9713 1 13 . 1 1 93 93 GLY H H 93 8.687 8.687 8.776 -0.089 18154 9714 1 13 . 1 1 94 94 ASP N N 94 119.304 119.304 120.981 -1.677 18154 9715 1 13 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.532 -0.272 18154 9716 1 13 . 1 1 94 94 ASP C C 94 176.978 176.978 176.925 0.053 18154 9717 1 13 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.016 1.591 18154 9718 1 13 . 1 1 94 94 ASP CB C 94 43.000 43.000 42.628 0.372 18154 9719 1 13 . 1 1 94 94 ASP H H 94 8.129 8.129 8.556 -0.427 18154 9720 1 13 . 1 1 95 95 SER N N 95 123.897 123.897 122.787 1.110 18154 9721 1 13 . 1 1 95 95 SER HA H 95 3.895 3.895 4.145 -0.250 18154 9722 1 13 . 1 1 95 95 SER C C 95 175.243 175.243 175.371 -0.128 18154 9723 1 13 . 1 1 95 95 SER CA C 95 60.183 60.183 59.145 1.038 18154 9724 1 13 . 1 1 95 95 SER CB C 95 61.700 61.700 62.549 -0.849 18154 9725 1 13 . 1 1 95 95 SER H H 95 8.878 8.878 9.401 -0.523 18154 9726 1 13 . 1 1 96 96 SER N N 96 119.248 119.248 116.847 2.401 18154 9727 1 13 . 1 1 96 96 SER HA H 96 4.209 4.209 4.285 -0.076 18154 9728 1 13 . 1 1 96 96 SER C C 96 173.900 173.900 175.217 -1.317 18154 9729 1 13 . 1 1 96 96 SER CA C 96 60.197 60.197 59.369 0.828 18154 9730 1 13 . 1 1 96 96 SER CB C 96 63.000 63.000 63.450 -0.451 18154 9731 1 13 . 1 1 96 96 SER H H 96 9.124 9.124 8.297 0.827 18154 9732 1 13 . 1 1 97 97 TYR N N 97 120.889 120.889 121.245 -0.356 18154 9733 1 13 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.405 0.483 18154 9734 1 13 . 1 1 97 97 TYR C C 97 175.972 175.972 177.609 -1.637 18154 9735 1 13 . 1 1 97 97 TYR CA C 97 55.750 55.750 59.057 -3.308 18154 9736 1 13 . 1 1 97 97 TYR CB C 97 39.820 39.820 38.887 0.933 18154 9737 1 13 . 1 1 97 97 TYR H H 97 7.664 7.664 7.946 -0.282 18154 9738 1 13 . 1 1 98 98 VAL N N 98 116.952 116.952 122.373 -5.421 18154 9739 1 13 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.742 0.318 18154 9740 1 13 . 1 1 98 98 VAL C C 98 175.969 175.969 176.198 -0.229 18154 9741 1 13 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.049 -2.209 18154 9742 1 13 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.831 0.769 18154 9743 1 13 . 1 1 98 98 VAL H H 98 7.970 7.970 8.502 -0.532 18154 9744 1 13 . 1 1 99 99 ASN N N 99 118.156 118.156 117.266 0.890 18154 9745 1 13 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.946 -0.435 18154 9746 1 13 . 1 1 99 99 ASN C C 99 174.329 174.329 175.603 -1.274 18154 9747 1 13 . 1 1 99 99 ASN CA C 99 53.031 53.031 53.014 0.017 18154 9748 1 13 . 1 1 99 99 ASN CB C 99 37.238 37.238 38.241 -1.003 18154 9749 1 13 . 1 1 99 99 ASN H H 99 8.296 8.296 8.129 0.167 18154 9750 1 13 . 1 1 100 100 PHE N N 100 118.649 118.649 120.078 -1.429 18154 9751 1 13 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.037 0.378 18154 9752 1 13 . 1 1 100 100 PHE C C 100 174.400 174.400 175.536 -1.136 18154 9753 1 13 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.650 -3.460 18154 9754 1 13 . 1 1 100 100 PHE CB C 100 39.679 39.679 37.889 1.790 18154 9755 1 13 . 1 1 100 100 PHE H H 100 7.855 7.855 7.819 0.036 18154 9756 1 13 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.257 -0.672 18154 9757 1 13 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.686 5.054 18154 9758 1 13 . 1 1 101 101 CYS CB C 101 26.000 26.000 26.945 -0.945 18154 9759 1 13 . 1 1 101 101 CYS H H 101 9.240 9.240 8.013 1.227 18154 9760 1 13 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.450 -0.230 18154 9761 1 13 . 1 1 102 102 ASN CA C 102 57.200 57.200 55.812 1.389 18154 9762 1 13 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.456 0.144 18154 9763 1 13 . 1 1 102 102 ASN H H 102 8.300 8.300 8.827 -0.527 18154 9764 1 13 . 1 1 103 103 GLY C C 103 175.690 175.690 175.766 -0.076 18154 9765 1 13 . 1 1 103 103 GLY CA C 103 47.350 47.350 46.945 0.405 18154 9766 1 13 . 1 1 104 104 GLY N N 104 106.150 106.150 109.782 -3.632 18154 9767 1 13 . 1 1 104 104 GLY C C 104 174.570 174.570 176.154 -1.584 18154 9768 1 13 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.444 0.906 18154 9769 1 13 . 1 1 104 104 GLY H H 104 7.108 7.108 7.718 -0.610 18154 9770 1 13 . 1 1 105 105 LYS N N 105 120.732 120.732 122.149 -1.417 18154 9771 1 13 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.991 -0.054 18154 9772 1 13 . 1 1 105 105 LYS C C 105 179.706 179.706 179.164 0.542 18154 9773 1 13 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.913 0.395 18154 9774 1 13 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.233 -0.436 18154 9775 1 13 . 1 1 105 105 LYS H H 105 7.708 7.708 7.553 0.155 18154 9776 1 13 . 1 1 106 106 GLN N N 106 119.087 119.087 118.709 0.378 18154 9777 1 13 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.133 0.009 18154 9778 1 13 . 1 1 106 106 GLN C C 106 179.418 179.418 178.672 0.746 18154 9779 1 13 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.430 0.445 18154 9780 1 13 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.179 0.580 18154 9781 1 13 . 1 1 106 106 GLN H H 106 8.738 8.738 8.320 0.418 18154 9782 1 13 . 1 1 107 107 PHE N N 107 123.088 123.088 120.780 2.308 18154 9783 1 13 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.390 -0.140 18154 9784 1 13 . 1 1 107 107 PHE C C 107 178.403 178.403 177.728 0.675 18154 9785 1 13 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.831 0.353 18154 9786 1 13 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.946 0.505 18154 9787 1 13 . 1 1 107 107 PHE H H 107 7.922 7.922 8.227 -0.305 18154 9788 1 13 . 1 1 108 108 ASP N N 108 117.118 117.118 120.424 -3.306 18154 9789 1 13 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.524 -0.150 18154 9790 1 13 . 1 1 108 108 ASP C C 108 176.973 176.973 178.344 -1.371 18154 9791 1 13 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.438 0.991 18154 9792 1 13 . 1 1 108 108 ASP CB C 108 44.123 44.123 40.882 3.241 18154 9793 1 13 . 1 1 108 108 ASP H H 108 8.305 8.305 8.380 -0.075 18154 9794 1 13 . 1 1 109 109 ALA N N 109 118.590 118.590 122.274 -3.684 18154 9795 1 13 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.045 0.005 18154 9796 1 13 . 1 1 109 109 ALA C C 109 180.430 180.430 179.380 1.050 18154 9797 1 13 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.102 0.094 18154 9798 1 13 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.570 -0.463 18154 9799 1 13 . 1 1 109 109 ALA H H 109 8.332 8.332 8.232 0.100 18154 9800 1 13 . 1 1 110 110 LEU N N 110 120.402 120.402 119.687 0.715 18154 9801 1 13 . 1 1 110 110 LEU HA H 110 4.085 4.085 4.029 0.056 18154 9802 1 13 . 1 1 110 110 LEU C C 110 177.801 177.801 178.804 -1.003 18154 9803 1 13 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.721 -0.081 18154 9804 1 13 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.727 1.029 18154 9805 1 13 . 1 1 110 110 LEU H H 110 7.868 7.868 7.997 -0.129 18154 9806 1 13 . 1 1 111 111 LEU N N 111 116.945 116.945 116.843 0.102 18154 9807 1 13 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.773 -0.055 18154 9808 1 13 . 1 1 111 111 LEU C C 111 179.838 179.838 179.350 0.488 18154 9809 1 13 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.396 0.569 18154 9810 1 13 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.093 -2.233 18154 9811 1 13 . 1 1 111 111 LEU H H 111 7.704 7.704 7.246 0.458 18154 9812 1 13 . 1 1 112 112 GLN N N 112 118.484 118.484 117.401 1.083 18154 9813 1 13 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.143 -0.002 18154 9814 1 13 . 1 1 112 112 GLN C C 112 181.218 181.218 178.020 3.198 18154 9815 1 13 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.764 1.202 18154 9816 1 13 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.301 0.959 18154 9817 1 13 . 1 1 112 112 GLN H H 112 8.441 8.441 8.109 0.332 18154 9818 1 13 . 1 1 113 113 GLU N N 113 122.905 122.905 115.777 7.128 18154 9819 1 13 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.166 0.015 18154 9820 1 13 . 1 1 113 113 GLU C C 113 178.001 178.001 177.316 0.685 18154 9821 1 13 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.448 1.537 18154 9822 1 13 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.511 -0.241 18154 9823 1 13 . 1 1 113 113 GLU H H 113 8.305 8.305 7.841 0.464 18154 9824 1 13 . 1 1 114 114 GLN N N 114 117.332 117.332 118.001 -0.669 18154 9825 1 13 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.260 0.335 18154 9826 1 13 . 1 1 114 114 GLN C C 114 174.538 174.538 176.729 -2.191 18154 9827 1 13 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.575 -1.158 18154 9828 1 13 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.611 -4.781 18154 9829 1 13 . 1 1 114 114 GLN H H 114 7.520 7.520 7.484 0.036 18154 9830 1 13 . 1 1 115 115 SER N N 115 109.100 109.100 109.446 -0.346 18154 9831 1 13 . 1 1 115 115 SER HA H 115 4.200 4.200 4.543 -0.343 18154 9832 1 13 . 1 1 115 115 SER C C 115 172.302 172.302 173.590 -1.288 18154 9833 1 13 . 1 1 115 115 SER CA C 115 60.400 60.400 58.434 1.966 18154 9834 1 13 . 1 1 115 115 SER CB C 115 61.325 61.325 65.963 -4.638 18154 9835 1 13 . 1 1 115 115 SER H H 115 7.950 7.950 7.809 0.141 18154 9836 1 13 . 1 1 116 116 ALA N N 116 121.059 121.059 125.671 -4.612 18154 9837 1 13 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.339 0.455 18154 9838 1 13 . 1 1 116 116 ALA C C 116 176.774 176.774 175.848 0.926 18154 9839 1 13 . 1 1 116 116 ALA CA C 116 51.690 51.690 51.881 -0.191 18154 9840 1 13 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.755 0.610 18154 9841 1 13 . 1 1 116 116 ALA H H 116 7.813 7.813 7.919 -0.106 18154 9842 1 13 . 1 1 117 117 GLN N N 117 118.000 118.000 118.569 -0.569 18154 9843 1 13 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.681 -0.063 18154 9844 1 13 . 1 1 117 117 GLN C C 117 173.769 173.769 174.932 -1.163 18154 9845 1 13 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.369 0.187 18154 9846 1 13 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.774 -1.039 18154 9847 1 13 . 1 1 117 117 GLN H H 117 8.591 8.591 8.238 0.353 18154 9848 1 13 . 1 1 118 118 ARG N N 118 127.947 127.947 125.393 2.554 18154 9849 1 13 . 1 1 118 118 ARG HA H 118 3.308 3.308 3.138 0.170 18154 9850 1 13 . 1 1 118 118 ARG C C 118 176.758 176.758 176.102 0.656 18154 9851 1 13 . 1 1 118 118 ARG CA C 118 56.186 56.186 56.498 -0.312 18154 9852 1 13 . 1 1 118 118 ARG CB C 118 30.310 30.310 31.115 -0.805 18154 9853 1 13 . 1 1 118 118 ARG H H 118 8.659 8.659 8.800 -0.141 18154 9854 1 13 . 1 1 119 119 VAL N N 119 131.939 131.939 125.002 6.937 18154 9855 1 13 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.116 -0.003 18154 9856 1 13 . 1 1 119 119 VAL C C 119 176.775 176.775 175.803 0.972 18154 9857 1 13 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.864 0.310 18154 9858 1 13 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.231 -0.837 18154 9859 1 13 . 1 1 119 119 VAL H H 119 9.520 9.520 8.402 1.118 18154 9860 1 13 . 1 1 120 120 GLY N N 120 116.074 116.074 106.775 9.299 18154 9861 1 13 . 1 1 120 120 GLY C C 120 172.757 172.757 174.124 -1.367 18154 9862 1 13 . 1 1 120 120 GLY CA C 120 43.898 43.898 44.697 -0.799 18154 9863 1 13 . 1 1 120 120 GLY H H 120 8.755 8.755 8.195 0.560 18154 9864 1 13 . 1 1 121 121 GLU N N 121 118.754 118.754 119.962 -1.208 18154 9865 1 13 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.316 0.350 18154 9866 1 13 . 1 1 121 121 GLU C C 121 177.419 177.419 177.102 0.317 18154 9867 1 13 . 1 1 121 121 GLU CA C 121 54.491 54.491 56.536 -2.045 18154 9868 1 13 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.348 1.150 18154 9869 1 13 . 1 1 121 121 GLU H H 121 8.594 8.594 8.513 0.081 18154 9870 1 13 . 1 1 122 122 MET N N 122 122.642 122.642 119.874 2.768 18154 9871 1 13 . 1 1 122 122 MET HA H 122 4.415 4.415 4.913 -0.498 18154 9872 1 13 . 1 1 122 122 MET C C 122 175.351 175.351 174.898 0.453 18154 9873 1 13 . 1 1 122 122 MET CA C 122 57.024 57.024 54.290 2.734 18154 9874 1 13 . 1 1 122 122 MET CB C 122 34.210 34.210 33.795 0.415 18154 9875 1 13 . 1 1 122 122 MET H H 122 8.892 8.892 8.372 0.520 18154 9876 1 13 . 1 1 123 123 LEU N N 123 129.535 129.535 121.272 8.263 18154 9877 1 13 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.420 -0.070 18154 9878 1 13 . 1 1 123 123 LEU C C 123 173.124 173.124 174.710 -1.586 18154 9879 1 13 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.033 0.706 18154 9880 1 13 . 1 1 123 123 LEU CB C 123 41.078 41.078 43.597 -2.519 18154 9881 1 13 . 1 1 123 123 LEU H H 123 7.868 7.868 7.318 0.550 18154 9882 1 13 . 1 1 124 124 LEU N N 124 127.120 127.120 125.728 1.392 18154 9883 1 13 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.626 0.429 18154 9884 1 13 . 1 1 124 124 LEU C C 124 176.379 176.379 176.172 0.207 18154 9885 1 13 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.105 0.445 18154 9886 1 13 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.509 -1.131 18154 9887 1 13 . 1 1 124 124 LEU H H 124 8.346 8.346 8.268 0.078 18154 9888 1 13 . 1 1 125 125 ILE N N 125 124.337 124.337 125.083 -0.746 18154 9889 1 13 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.092 0.088 18154 9890 1 13 . 1 1 125 125 ILE C C 125 174.303 174.303 174.720 -0.417 18154 9891 1 13 . 1 1 125 125 ILE CA C 125 61.100 61.100 61.882 -0.782 18154 9892 1 13 . 1 1 125 125 ILE CB C 125 39.943 39.943 39.947 -0.004 18154 9893 1 13 . 1 1 125 125 ILE H H 125 8.974 8.974 8.499 0.475 18154 9894 1 13 . 1 1 126 126 ASP N N 126 127.113 127.113 128.718 -1.605 18154 9895 1 13 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.430 -0.315 18154 9896 1 13 . 1 1 126 126 ASP C C 126 176.766 176.766 176.312 0.454 18154 9897 1 13 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.291 -0.445 18154 9898 1 13 . 1 1 126 126 ASP CB C 126 41.100 41.100 42.139 -1.039 18154 9899 1 13 . 1 1 126 126 ASP H H 126 9.397 9.397 8.971 0.426 18154 9900 1 13 . 1 1 127 127 ALA N N 127 131.178 131.178 130.927 0.251 18154 9901 1 13 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.668 -0.352 18154 9902 1 13 . 1 1 127 127 ALA C C 127 178.530 178.530 178.694 -0.164 18154 9903 1 13 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.023 -0.176 18154 9904 1 13 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.206 -0.414 18154 9905 1 13 . 1 1 127 127 ALA H H 127 9.696 9.696 9.186 0.510 18154 9906 1 13 . 1 1 128 128 SER N N 128 112.064 112.064 113.181 -1.117 18154 9907 1 13 . 1 1 128 128 SER HA H 128 4.224 4.224 4.339 -0.115 18154 9908 1 13 . 1 1 128 128 SER C C 128 175.000 175.000 175.453 -0.453 18154 9909 1 13 . 1 1 128 128 SER CA C 128 61.246 61.246 60.497 0.749 18154 9910 1 13 . 1 1 128 128 SER CB C 128 63.310 63.310 63.599 -0.289 18154 9911 1 13 . 1 1 128 128 SER H H 128 8.373 8.373 8.160 0.213 18154 9912 1 13 . 1 1 129 129 GLU N N 129 119.468 119.468 119.805 -0.337 18154 9913 1 13 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.434 -0.034 18154 9914 1 13 . 1 1 129 129 GLU C C 129 175.947 175.947 176.046 -0.099 18154 9915 1 13 . 1 1 129 129 GLU CA C 129 56.415 56.415 57.007 -0.592 18154 9916 1 13 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.533 0.197 18154 9917 1 13 . 1 1 129 129 GLU H H 129 7.267 7.267 7.569 -0.302 18154 9918 1 13 . 1 1 130 130 ASN N N 130 115.968 115.968 117.828 -1.860 18154 9919 1 13 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.113 0.053 18154 9920 1 13 . 1 1 130 130 ASN C C 130 172.000 172.000 173.902 -1.902 18154 9921 1 13 . 1 1 130 130 ASN CA C 130 50.223 50.223 51.115 -0.892 18154 9922 1 13 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.950 -0.284 18154 9923 1 13 . 1 1 130 130 ASN H H 130 8.072 8.072 8.076 -0.004 18154 9924 1 13 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.616 -0.066 18154 9925 1 13 . 1 1 131 131 PRO C C 131 176.400 176.400 176.169 0.231 18154 9926 1 13 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.611 -0.111 18154 9927 1 13 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.939 0.361 18154 9928 1 13 . 1 1 132 132 GLU N N 132 119.000 119.000 119.272 -0.272 18154 9929 1 13 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.855 0.165 18154 9930 1 13 . 1 1 132 132 GLU C C 132 174.200 174.200 175.272 -1.072 18154 9931 1 13 . 1 1 132 132 GLU CA C 132 53.000 53.000 52.798 0.202 18154 9932 1 13 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.190 0.510 18154 9933 1 13 . 1 1 132 132 GLU H H 132 7.690 7.690 8.118 -0.428 18154 9934 1 13 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.254 -0.254 18154 9935 1 13 . 1 1 133 133 PRO C C 133 177.391 177.391 178.229 -0.838 18154 9936 1 13 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.111 0.358 18154 9937 1 13 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.866 0.279 18154 9938 1 13 . 1 1 134 134 GLU N N 134 122.846 122.846 117.454 5.392 18154 9939 1 13 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.149 1.071 18154 9940 1 13 . 1 1 134 134 GLU C C 134 178.385 178.385 178.508 -0.123 18154 9941 1 13 . 1 1 134 134 GLU CA C 134 57.592 57.592 58.988 -1.396 18154 9942 1 13 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.250 -1.660 18154 9943 1 13 . 1 1 134 134 GLU H H 134 10.707 10.707 8.698 2.009 18154 9944 1 13 . 1 1 135 135 THR N N 135 113.016 113.016 111.637 1.379 18154 9945 1 13 . 1 1 135 135 THR HA H 135 4.182 4.182 4.176 0.006 18154 9946 1 13 . 1 1 135 135 THR C C 135 176.460 176.460 175.804 0.656 18154 9947 1 13 . 1 1 135 135 THR CA C 135 64.752 64.752 65.138 -0.386 18154 9948 1 13 . 1 1 135 135 THR CB C 135 69.248 69.248 68.836 0.412 18154 9949 1 13 . 1 1 135 135 THR H H 135 8.168 8.168 8.153 0.015 18154 9950 1 13 . 1 1 136 136 GLU N N 136 118.978 118.978 121.317 -2.339 18154 9951 1 13 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.446 0.118 18154 9952 1 13 . 1 1 136 136 GLU C C 136 178.370 178.370 178.516 -0.146 18154 9953 1 13 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.365 -1.452 18154 9954 1 13 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.410 1.690 18154 9955 1 13 . 1 1 136 136 GLU H H 136 7.680 7.680 7.782 -0.102 18154 9956 1 13 . 1 1 137 137 SER N N 137 116.501 116.501 115.842 0.659 18154 9957 1 13 . 1 1 137 137 SER HA H 137 4.033 4.033 4.239 -0.206 18154 9958 1 13 . 1 1 137 137 SER C C 137 175.670 175.670 176.609 -0.939 18154 9959 1 13 . 1 1 137 137 SER CA C 137 62.330 62.330 61.965 0.365 18154 9960 1 13 . 1 1 137 137 SER CB C 137 61.380 61.380 63.098 -1.718 18154 9961 1 13 . 1 1 137 137 SER H H 137 8.824 8.824 8.228 0.596 18154 9962 1 13 . 1 1 138 138 ASN N N 138 123.517 123.517 121.305 2.212 18154 9963 1 13 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.738 -0.147 18154 9964 1 13 . 1 1 138 138 ASN C C 138 175.700 175.700 175.316 0.384 18154 9965 1 13 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.860 -0.374 18154 9966 1 13 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.126 -2.873 18154 9967 1 13 . 1 1 138 138 ASN H H 138 8.564 8.564 8.506 0.058 18154 9968 1 13 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.357 0.098 18154 9969 1 13 . 1 1 139 139 PRO C C 139 180.033 180.033 178.295 1.738 18154 9970 1 13 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.130 0.479 18154 9971 1 13 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.301 -0.765 18154 9972 1 13 . 1 1 140 140 TRP N N 140 119.700 119.700 121.778 -2.078 18154 9973 1 13 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.450 -0.117 18154 9974 1 13 . 1 1 140 140 TRP C C 140 179.195 179.195 177.909 1.286 18154 9975 1 13 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.684 0.496 18154 9976 1 13 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.672 1.079 18154 9977 1 13 . 1 1 140 140 TRP H H 140 7.057 7.057 7.508 -0.451 18154 9978 1 13 . 1 1 141 141 VAL N N 141 122.879 122.879 119.239 3.640 18154 9979 1 13 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.863 -0.127 18154 9980 1 13 . 1 1 141 141 VAL C C 141 177.416 177.416 178.846 -1.430 18154 9981 1 13 . 1 1 141 141 VAL CA C 141 66.716 66.716 66.781 -0.065 18154 9982 1 13 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.038 0.394 18154 9983 1 13 . 1 1 141 141 VAL H H 141 9.629 9.629 8.950 0.679 18154 9984 1 13 . 1 1 142 142 GLU N N 142 119.965 119.965 119.217 0.748 18154 9985 1 13 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.071 -0.339 18154 9986 1 13 . 1 1 142 142 GLU C C 142 178.800 178.800 178.824 -0.024 18154 9987 1 13 . 1 1 142 142 GLU CA C 142 59.332 59.332 58.961 0.371 18154 9988 1 13 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.438 0.122 18154 9989 1 13 . 1 1 142 142 GLU H H 142 8.551 8.551 8.268 0.283 18154 9990 1 13 . 1 1 143 143 GLN N N 143 115.364 115.364 119.122 -3.758 18154 9991 1 13 . 1 1 143 143 GLN HA H 143 4.290 4.290 4.123 0.167 18154 9992 1 13 . 1 1 143 143 GLN C C 143 177.840 177.840 177.960 -0.120 18154 9993 1 13 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.316 1.047 18154 9994 1 13 . 1 1 143 143 GLN CB C 143 29.362 29.362 29.128 0.234 18154 9995 1 13 . 1 1 143 143 GLN H H 143 7.380 7.380 7.652 -0.272 18154 9996 1 13 . 1 1 144 144 TRP N N 144 126.680 126.680 122.719 3.961 18154 9997 1 13 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.925 -0.591 18154 9998 1 13 . 1 1 144 144 TRP C C 144 178.200 178.200 178.499 -0.299 18154 9999 1 13 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.662 2.298 18154 10000 1 13 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.258 0.267 18154 10001 1 13 . 1 1 144 144 TRP H H 144 9.215 9.215 8.647 0.568 18154 10002 1 13 . 1 1 145 145 GLY N N 145 100.130 100.130 105.457 -5.327 18154 10003 1 13 . 1 1 145 145 GLY C C 145 177.391 177.391 175.834 1.557 18154 10004 1 13 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.305 -0.545 18154 10005 1 13 . 1 1 145 145 GLY H H 145 8.834 8.834 8.694 0.140 18154 10006 1 13 . 1 1 146 146 THR N N 146 110.831 110.831 114.372 -3.541 18154 10007 1 13 . 1 1 146 146 THR HA H 146 4.319 4.319 4.098 0.221 18154 10008 1 13 . 1 1 146 146 THR C C 146 175.574 175.574 175.292 0.282 18154 10009 1 13 . 1 1 146 146 THR CA C 146 63.260 63.260 64.454 -1.194 18154 10010 1 13 . 1 1 146 146 THR CB C 146 69.660 69.660 68.374 1.286 18154 10011 1 13 . 1 1 146 146 THR H H 146 7.594 7.594 7.745 -0.151 18154 10012 1 13 . 1 1 147 147 LEU N N 147 120.678 120.678 120.002 0.676 18154 10013 1 13 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.187 -0.129 18154 10014 1 13 . 1 1 147 147 LEU C C 147 177.176 177.176 176.682 0.494 18154 10015 1 13 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.666 -1.352 18154 10016 1 13 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.341 -0.113 18154 10017 1 13 . 1 1 147 147 LEU H H 147 7.458 7.458 7.587 -0.129 18154 10018 1 13 . 1 1 148 148 LEU N N 148 117.062 117.062 118.267 -1.205 18154 10019 1 13 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.817 -0.099 18154 10020 1 13 . 1 1 148 148 LEU C C 148 175.570 175.570 176.916 -1.346 18154 10021 1 13 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.239 -0.288 18154 10022 1 13 . 1 1 148 148 LEU CB C 148 39.600 39.600 40.861 -1.261 18154 10023 1 13 . 1 1 148 148 LEU H H 148 6.482 6.482 6.980 -0.498 18154 10024 1 14 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.510 -0.281 18154 10025 1 14 . 1 1 2 2 ALA C C 2 173.315 173.315 175.702 -2.387 18154 10026 1 14 . 1 1 2 2 ALA CA C 2 51.580 51.580 52.751 -1.171 18154 10027 1 14 . 1 1 2 2 ALA CB C 2 20.223 20.223 19.857 0.366 18154 10028 1 14 . 1 1 3 3 GLU N N 3 121.874 121.874 121.388 0.486 18154 10029 1 14 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.533 -0.259 18154 10030 1 14 . 1 1 3 3 GLU C C 3 174.545 174.545 175.397 -0.852 18154 10031 1 14 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.492 0.358 18154 10032 1 14 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.638 -0.918 18154 10033 1 14 . 1 1 3 3 GLU H H 3 8.696 8.696 8.451 0.245 18154 10034 1 14 . 1 1 4 4 ILE N N 4 120.672 120.672 124.930 -4.258 18154 10035 1 14 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.707 0.402 18154 10036 1 14 . 1 1 4 4 ILE C C 4 175.463 175.463 174.819 0.644 18154 10037 1 14 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.071 -0.238 18154 10038 1 14 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.645 3.025 18154 10039 1 14 . 1 1 4 4 ILE H H 4 8.860 8.860 9.358 -0.498 18154 10040 1 14 . 1 1 5 5 GLY N N 5 119.310 119.310 114.457 4.853 18154 10041 1 14 . 1 1 5 5 GLY C C 5 171.260 171.260 172.775 -1.515 18154 10042 1 14 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.255 0.565 18154 10043 1 14 . 1 1 5 5 GLY H H 5 8.469 8.469 8.180 0.289 18154 10044 1 14 . 1 1 6 6 ILE N N 6 126.915 126.915 125.975 0.940 18154 10045 1 14 . 1 1 6 6 ILE HA H 6 5.190 5.190 4.946 0.244 18154 10046 1 14 . 1 1 6 6 ILE C C 6 173.901 173.901 174.426 -0.525 18154 10047 1 14 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.670 -0.670 18154 10048 1 14 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.583 -1.583 18154 10049 1 14 . 1 1 6 6 ILE H H 6 9.056 9.056 9.085 -0.029 18154 10050 1 14 . 1 1 7 7 PHE N N 7 127.354 127.354 127.148 0.206 18154 10051 1 14 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.202 -0.690 18154 10052 1 14 . 1 1 7 7 PHE C C 7 174.230 174.230 174.892 -0.662 18154 10053 1 14 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.556 1.854 18154 10054 1 14 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.754 0.974 18154 10055 1 14 . 1 1 7 7 PHE H H 7 8.960 8.960 9.361 -0.401 18154 10056 1 14 . 1 1 8 8 VAL HA H 8 5.060 5.060 4.836 0.224 18154 10057 1 14 . 1 1 8 8 VAL C C 8 175.450 175.450 175.321 0.129 18154 10058 1 14 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.622 0.578 18154 10059 1 14 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.179 0.258 18154 10060 1 14 . 1 1 9 9 GLY N N 9 115.000 115.000 114.922 0.078 18154 10061 1 14 . 1 1 9 9 GLY C C 9 173.150 173.150 172.561 0.589 18154 10062 1 14 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.936 0.064 18154 10063 1 14 . 1 1 9 9 GLY H H 9 9.393 9.393 8.933 0.460 18154 10064 1 14 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.404 0.291 18154 10065 1 14 . 1 1 12 12 TYR C C 12 176.560 176.560 177.323 -0.763 18154 10066 1 14 . 1 1 12 12 TYR CA C 12 57.750 57.750 58.639 -0.889 18154 10067 1 14 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.620 -0.620 18154 10068 1 14 . 1 1 13 13 GLY N N 13 109.870 109.870 108.686 1.184 18154 10069 1 14 . 1 1 13 13 GLY C C 13 175.930 175.930 175.884 0.046 18154 10070 1 14 . 1 1 13 13 GLY CA C 13 46.000 46.000 45.210 0.790 18154 10071 1 14 . 1 1 13 13 GLY H H 13 8.500 8.500 8.699 -0.199 18154 10072 1 14 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.070 0.160 18154 10073 1 14 . 1 1 17 17 LEU C C 17 179.210 179.210 178.437 0.773 18154 10074 1 14 . 1 1 17 17 LEU CA C 17 58.400 58.400 58.088 0.312 18154 10075 1 14 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.121 0.179 18154 10076 1 14 . 1 1 18 18 VAL N N 18 117.231 117.231 117.759 -0.528 18154 10077 1 14 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.603 -0.280 18154 10078 1 14 . 1 1 18 18 VAL C C 18 178.460 178.460 177.684 0.776 18154 10079 1 14 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.515 0.351 18154 10080 1 14 . 1 1 18 18 VAL CB C 18 31.460 31.460 31.046 0.414 18154 10081 1 14 . 1 1 18 18 VAL H H 18 7.645 7.645 8.066 -0.421 18154 10082 1 14 . 1 1 19 19 ALA N N 19 121.820 121.820 122.498 -0.678 18154 10083 1 14 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.864 -0.048 18154 10084 1 14 . 1 1 19 19 ALA C C 19 178.180 178.180 179.238 -1.058 18154 10085 1 14 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.752 -0.176 18154 10086 1 14 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.040 1.960 18154 10087 1 14 . 1 1 19 19 ALA H H 19 8.010 8.010 8.233 -0.223 18154 10088 1 14 . 1 1 20 20 GLU N N 20 118.960 118.960 118.548 0.412 18154 10089 1 14 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.007 0.009 18154 10090 1 14 . 1 1 20 20 GLU C C 20 180.950 180.950 179.373 1.577 18154 10091 1 14 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.086 0.580 18154 10092 1 14 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.310 -0.010 18154 10093 1 14 . 1 1 20 20 GLU H H 20 8.700 8.700 7.900 0.800 18154 10094 1 14 . 1 1 21 21 GLU N N 21 121.371 121.371 119.469 1.902 18154 10095 1 14 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.090 -0.046 18154 10096 1 14 . 1 1 21 21 GLU C C 21 179.419 179.419 178.804 0.615 18154 10097 1 14 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.154 0.156 18154 10098 1 14 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.289 0.272 18154 10099 1 14 . 1 1 21 21 GLU H H 21 8.632 8.632 8.117 0.515 18154 10100 1 14 . 1 1 22 22 ALA N N 22 121.329 121.329 122.997 -1.668 18154 10101 1 14 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.071 -0.013 18154 10102 1 14 . 1 1 22 22 ALA C C 22 178.823 178.823 179.397 -0.574 18154 10103 1 14 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.705 -1.028 18154 10104 1 14 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.084 -0.442 18154 10105 1 14 . 1 1 22 22 ALA H H 22 8.182 8.182 8.606 -0.424 18154 10106 1 14 . 1 1 23 23 GLU N N 23 119.035 119.035 119.459 -0.424 18154 10107 1 14 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.044 -0.640 18154 10108 1 14 . 1 1 23 23 GLU C C 23 178.375 178.375 178.683 -0.308 18154 10109 1 14 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.711 0.597 18154 10110 1 14 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.536 -0.606 18154 10111 1 14 . 1 1 23 23 GLU H H 23 8.387 8.387 8.338 0.049 18154 10112 1 14 . 1 1 24 24 ALA N N 24 122.207 122.207 122.521 -0.314 18154 10113 1 14 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.106 -0.076 18154 10114 1 14 . 1 1 24 24 ALA C C 24 181.132 181.132 179.939 1.193 18154 10115 1 14 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.092 0.395 18154 10116 1 14 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.605 -0.605 18154 10117 1 14 . 1 1 24 24 ALA H H 24 7.535 7.535 8.036 -0.501 18154 10118 1 14 . 1 1 25 25 ILE N N 25 121.059 121.059 119.994 1.065 18154 10119 1 14 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.713 -0.049 18154 10120 1 14 . 1 1 25 25 ILE C C 25 178.419 178.419 177.922 0.497 18154 10121 1 14 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.076 -0.968 18154 10122 1 14 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.127 0.836 18154 10123 1 14 . 1 1 25 25 ILE H H 25 7.800 7.800 8.594 -0.794 18154 10124 1 14 . 1 1 26 26 LEU N N 26 119.307 119.307 120.525 -1.218 18154 10125 1 14 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.226 -0.050 18154 10126 1 14 . 1 1 26 26 LEU C C 26 179.863 179.863 179.758 0.105 18154 10127 1 14 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.235 -0.289 18154 10128 1 14 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.432 -0.292 18154 10129 1 14 . 1 1 26 26 LEU H H 26 8.509 8.509 8.496 0.013 18154 10130 1 14 . 1 1 27 27 THR N N 27 117.830 117.830 116.141 1.689 18154 10131 1 14 . 1 1 27 27 THR HA H 27 4.524 4.524 4.431 0.093 18154 10132 1 14 . 1 1 27 27 THR C C 27 179.027 179.027 176.353 2.674 18154 10133 1 14 . 1 1 27 27 THR CA C 27 66.000 66.000 66.567 -0.567 18154 10134 1 14 . 1 1 27 27 THR CB C 27 68.600 68.600 68.511 0.089 18154 10135 1 14 . 1 1 27 27 THR H H 27 8.796 8.796 8.567 0.229 18154 10136 1 14 . 1 1 28 28 ALA N N 28 126.313 126.313 122.742 3.571 18154 10137 1 14 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.177 0.028 18154 10138 1 14 . 1 1 28 28 ALA C C 28 179.360 179.360 179.550 -0.190 18154 10139 1 14 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.381 0.619 18154 10140 1 14 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.228 -0.578 18154 10141 1 14 . 1 1 28 28 ALA H H 28 7.832 7.832 7.951 -0.119 18154 10142 1 14 . 1 1 29 29 GLN N N 29 115.527 115.527 116.874 -1.347 18154 10143 1 14 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.092 0.035 18154 10144 1 14 . 1 1 29 29 GLN C C 29 176.547 176.547 177.014 -0.467 18154 10145 1 14 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.212 -0.648 18154 10146 1 14 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.573 -0.163 18154 10147 1 14 . 1 1 29 29 GLN H H 29 7.353 7.353 8.226 -0.873 18154 10148 1 14 . 1 1 30 30 GLY N N 30 105.961 105.961 105.685 0.276 18154 10149 1 14 . 1 1 30 30 GLY C C 30 174.785 174.785 173.894 0.891 18154 10150 1 14 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.513 -0.013 18154 10151 1 14 . 1 1 30 30 GLY H H 30 7.923 7.923 7.669 0.254 18154 10152 1 14 . 1 1 31 31 HIS N N 31 119.471 119.471 117.406 2.065 18154 10153 1 14 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.801 0.034 18154 10154 1 14 . 1 1 31 31 HIS C C 31 174.665 174.665 174.013 0.652 18154 10155 1 14 . 1 1 31 31 HIS CA C 31 55.842 55.842 55.104 0.738 18154 10156 1 14 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.521 0.479 18154 10157 1 14 . 1 1 31 31 HIS H H 31 7.558 7.558 8.133 -0.575 18154 10158 1 14 . 1 1 32 32 LYS N N 32 121.854 121.854 120.895 0.959 18154 10159 1 14 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.544 0.179 18154 10160 1 14 . 1 1 32 32 LYS C C 32 174.466 174.466 174.443 0.023 18154 10161 1 14 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.851 0.014 18154 10162 1 14 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.862 0.098 18154 10163 1 14 . 1 1 32 32 LYS H H 32 8.665 8.665 8.752 -0.087 18154 10164 1 14 . 1 1 33 33 ALA N N 33 130.188 130.188 129.703 0.485 18154 10165 1 14 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.714 0.104 18154 10166 1 14 . 1 1 33 33 ALA C C 33 175.567 175.567 176.265 -0.698 18154 10167 1 14 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.546 -0.570 18154 10168 1 14 . 1 1 33 33 ALA CB C 33 22.297 22.297 22.325 -0.027 18154 10169 1 14 . 1 1 33 33 ALA H H 33 8.837 8.837 8.013 0.824 18154 10170 1 14 . 1 1 34 34 THR N N 34 117.164 117.164 116.111 1.053 18154 10171 1 14 . 1 1 34 34 THR HA H 34 4.359 4.359 4.595 -0.236 18154 10172 1 14 . 1 1 34 34 THR C C 34 171.315 171.315 172.712 -1.397 18154 10173 1 14 . 1 1 34 34 THR CA C 34 61.840 61.840 60.920 0.920 18154 10174 1 14 . 1 1 34 34 THR CB C 34 71.800 71.800 72.399 -0.599 18154 10175 1 14 . 1 1 34 34 THR H H 34 7.826 7.826 8.728 -0.902 18154 10176 1 14 . 1 1 35 35 VAL N N 35 126.650 126.650 122.385 4.265 18154 10177 1 14 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.477 -0.294 18154 10178 1 14 . 1 1 35 35 VAL C C 35 174.675 174.675 175.322 -0.647 18154 10179 1 14 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.710 0.218 18154 10180 1 14 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.820 -0.170 18154 10181 1 14 . 1 1 35 35 VAL H H 35 8.496 8.496 8.395 0.101 18154 10182 1 14 . 1 1 36 36 PHE N N 36 127.630 127.630 127.026 0.604 18154 10183 1 14 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.714 -0.163 18154 10184 1 14 . 1 1 36 36 PHE C C 36 174.347 174.347 174.613 -0.266 18154 10185 1 14 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.599 0.883 18154 10186 1 14 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.645 -0.480 18154 10187 1 14 . 1 1 36 36 PHE H H 36 9.164 9.164 9.225 -0.061 18154 10188 1 14 . 1 1 37 37 GLU N N 37 123.516 123.516 124.670 -1.154 18154 10189 1 14 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.526 -0.056 18154 10190 1 14 . 1 1 37 37 GLU C C 37 175.954 175.954 175.815 0.139 18154 10191 1 14 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.152 -0.433 18154 10192 1 14 . 1 1 37 37 GLU CB C 37 31.460 31.460 31.416 0.043 18154 10193 1 14 . 1 1 37 37 GLU H H 37 8.455 8.455 8.626 -0.171 18154 10194 1 14 . 1 1 38 38 ASP N N 38 120.395 120.395 121.440 -1.045 18154 10195 1 14 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.535 0.298 18154 10196 1 14 . 1 1 38 38 ASP C C 38 173.920 173.920 174.445 -0.525 18154 10197 1 14 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.316 0.161 18154 10198 1 14 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.572 0.032 18154 10199 1 14 . 1 1 38 38 ASP H H 38 9.602 9.602 8.969 0.633 18154 10200 1 14 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.580 0.100 18154 10201 1 14 . 1 1 39 39 PRO C C 39 176.274 176.274 176.564 -0.290 18154 10202 1 14 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.604 -0.620 18154 10203 1 14 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.559 1.841 18154 10204 1 14 . 1 1 40 40 GLU N N 40 119.026 119.026 124.529 -5.503 18154 10205 1 14 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.485 0.243 18154 10206 1 14 . 1 1 40 40 GLU C C 40 177.827 177.827 177.690 0.137 18154 10207 1 14 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.226 -1.256 18154 10208 1 14 . 1 1 40 40 GLU CB C 40 33.400 33.400 30.897 2.503 18154 10209 1 14 . 1 1 40 40 GLU H H 40 9.178 9.178 8.753 0.425 18154 10210 1 14 . 1 1 41 41 LEU N N 41 123.708 123.708 125.962 -2.254 18154 10211 1 14 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.188 -0.294 18154 10212 1 14 . 1 1 41 41 LEU C C 41 178.730 178.730 177.942 0.788 18154 10213 1 14 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.703 0.704 18154 10214 1 14 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.755 -0.102 18154 10215 1 14 . 1 1 41 41 LEU H H 41 9.160 9.160 8.851 0.309 18154 10216 1 14 . 1 1 42 42 SER N N 42 110.500 110.500 114.367 -3.867 18154 10217 1 14 . 1 1 42 42 SER HA H 42 4.010 4.010 4.296 -0.286 18154 10218 1 14 . 1 1 42 42 SER C C 42 176.300 176.300 175.030 1.270 18154 10219 1 14 . 1 1 42 42 SER CA C 42 61.600 61.600 60.743 0.857 18154 10220 1 14 . 1 1 42 42 SER CB C 42 62.140 62.140 62.801 -0.661 18154 10221 1 14 . 1 1 42 42 SER H H 42 8.415 8.415 8.568 -0.153 18154 10222 1 14 . 1 1 43 43 ASP N N 43 119.770 119.770 120.520 -0.750 18154 10223 1 14 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.785 -0.328 18154 10224 1 14 . 1 1 43 43 ASP C C 43 176.150 176.150 176.119 0.031 18154 10225 1 14 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.143 1.607 18154 10226 1 14 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.308 1.392 18154 10227 1 14 . 1 1 43 43 ASP H H 43 7.690 7.690 7.986 -0.296 18154 10228 1 14 . 1 1 44 44 TRP N N 44 118.500 118.500 121.187 -2.687 18154 10229 1 14 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.372 -0.162 18154 10230 1 14 . 1 1 44 44 TRP C C 44 177.150 177.150 177.644 -0.494 18154 10231 1 14 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.595 0.792 18154 10232 1 14 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.123 0.187 18154 10233 1 14 . 1 1 44 44 TRP H H 44 7.464 7.464 7.274 0.190 18154 10234 1 14 . 1 1 45 45 LEU N N 45 114.100 114.100 121.333 -7.233 18154 10235 1 14 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.083 0.092 18154 10236 1 14 . 1 1 45 45 LEU C C 45 176.300 176.300 175.851 0.449 18154 10237 1 14 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.276 -0.716 18154 10238 1 14 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.481 -0.261 18154 10239 1 14 . 1 1 45 45 LEU H H 45 7.550 7.550 8.654 -1.104 18154 10240 1 14 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.199 0.181 18154 10241 1 14 . 1 1 46 46 PRO C C 46 176.799 176.799 177.667 -0.868 18154 10242 1 14 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.745 0.542 18154 10243 1 14 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.266 0.334 18154 10244 1 14 . 1 1 47 47 TYR N N 47 113.790 113.790 116.130 -2.340 18154 10245 1 14 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.538 -0.418 18154 10246 1 14 . 1 1 47 47 TYR C C 47 175.730 175.730 177.704 -1.974 18154 10247 1 14 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.828 1.372 18154 10248 1 14 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.477 0.539 18154 10249 1 14 . 1 1 47 47 TYR H H 47 8.291 8.291 8.164 0.127 18154 10250 1 14 . 1 1 48 48 GLN N N 48 116.524 116.524 120.757 -4.233 18154 10251 1 14 . 1 1 48 48 GLN HA H 48 3.885 3.885 4.010 -0.125 18154 10252 1 14 . 1 1 48 48 GLN C C 48 174.381 174.381 176.527 -2.146 18154 10253 1 14 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.420 0.406 18154 10254 1 14 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.930 2.070 18154 10255 1 14 . 1 1 48 48 GLN H H 48 7.300 7.300 7.550 -0.250 18154 10256 1 14 . 1 1 49 49 ASP N N 49 114.657 114.657 113.912 0.745 18154 10257 1 14 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.716 -0.029 18154 10258 1 14 . 1 1 49 49 ASP C C 49 176.307 176.307 175.539 0.768 18154 10259 1 14 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.446 -1.711 18154 10260 1 14 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.410 -1.210 18154 10261 1 14 . 1 1 49 49 ASP H H 49 7.854 7.854 8.420 -0.566 18154 10262 1 14 . 1 1 50 50 LYS N N 50 123.514 123.514 118.110 5.404 18154 10263 1 14 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.037 0.553 18154 10264 1 14 . 1 1 50 50 LYS C C 50 172.964 172.964 175.449 -2.485 18154 10265 1 14 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.108 -0.415 18154 10266 1 14 . 1 1 50 50 LYS CB C 50 33.355 33.355 34.747 -1.392 18154 10267 1 14 . 1 1 50 50 LYS H H 50 7.833 7.833 7.530 0.303 18154 10268 1 14 . 1 1 51 51 TYR N N 51 118.375 118.375 115.371 3.004 18154 10269 1 14 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.819 0.236 18154 10270 1 14 . 1 1 51 51 TYR C C 51 175.875 175.875 176.077 -0.202 18154 10271 1 14 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.487 0.934 18154 10272 1 14 . 1 1 51 51 TYR CB C 51 42.477 42.477 40.990 1.487 18154 10273 1 14 . 1 1 51 51 TYR H H 51 7.745 7.745 8.132 -0.387 18154 10274 1 14 . 1 1 52 52 VAL N N 52 112.527 112.527 115.548 -3.021 18154 10275 1 14 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.964 0.536 18154 10276 1 14 . 1 1 52 52 VAL C C 52 173.910 173.910 174.357 -0.447 18154 10277 1 14 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.775 -2.079 18154 10278 1 14 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.195 1.297 18154 10279 1 14 . 1 1 52 52 VAL H H 52 8.673 8.673 8.498 0.175 18154 10280 1 14 . 1 1 53 53 LEU N N 53 124.294 124.294 123.891 0.403 18154 10281 1 14 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.393 -0.493 18154 10282 1 14 . 1 1 53 53 LEU C C 53 175.070 175.070 174.562 0.508 18154 10283 1 14 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.403 -0.837 18154 10284 1 14 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.918 -1.688 18154 10285 1 14 . 1 1 53 53 LEU H H 53 9.137 9.137 9.183 -0.046 18154 10286 1 14 . 1 1 54 54 VAL N N 54 127.850 127.850 126.351 1.499 18154 10287 1 14 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.715 -0.205 18154 10288 1 14 . 1 1 54 54 VAL C C 54 174.030 174.030 174.653 -0.623 18154 10289 1 14 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.097 0.728 18154 10290 1 14 . 1 1 54 54 VAL CB C 54 32.691 32.691 32.944 -0.253 18154 10291 1 14 . 1 1 54 54 VAL H H 54 8.619 8.619 8.931 -0.312 18154 10292 1 14 . 1 1 55 55 VAL N N 55 127.181 127.181 127.754 -0.573 18154 10293 1 14 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.853 0.232 18154 10294 1 14 . 1 1 55 55 VAL C C 55 174.942 174.942 174.490 0.452 18154 10295 1 14 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.611 -0.542 18154 10296 1 14 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.866 -0.644 18154 10297 1 14 . 1 1 55 55 VAL H H 55 8.578 8.578 8.777 -0.199 18154 10298 1 14 . 1 1 56 56 THR N N 56 117.420 117.420 121.809 -4.389 18154 10299 1 14 . 1 1 56 56 THR HA H 56 5.590 5.590 4.877 0.713 18154 10300 1 14 . 1 1 56 56 THR C C 56 172.640 172.640 172.686 -0.046 18154 10301 1 14 . 1 1 56 56 THR CA C 56 59.359 59.359 60.970 -1.611 18154 10302 1 14 . 1 1 56 56 THR CB C 56 70.715 70.715 70.870 -0.155 18154 10303 1 14 . 1 1 56 56 THR H H 56 8.710 8.710 8.677 0.033 18154 10304 1 14 . 1 1 57 57 SER HA H 57 5.250 5.250 5.139 0.111 18154 10305 1 14 . 1 1 57 57 SER CA C 57 57.730 57.730 57.120 0.610 18154 10306 1 14 . 1 1 57 57 SER CB C 57 64.500 64.500 65.422 -0.923 18154 10307 1 14 . 1 1 57 57 SER H H 57 8.075 8.075 8.140 -0.065 18154 10308 1 14 . 1 1 58 58 THR H H 58 7.900 7.900 8.660 -0.760 18154 10309 1 14 . 1 1 59 59 THR HA H 59 4.900 4.900 4.075 0.825 18154 10310 1 14 . 1 1 59 59 THR CA C 59 61.200 61.200 64.657 -3.457 18154 10311 1 14 . 1 1 59 59 THR CB C 59 73.400 73.400 69.293 4.107 18154 10312 1 14 . 1 1 59 59 THR H H 59 9.230 9.230 7.700 1.530 18154 10313 1 14 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.032 1.468 18154 10314 1 14 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.214 0.192 18154 10315 1 14 . 1 1 61 61 GLN C C 61 175.950 175.950 175.745 0.205 18154 10316 1 14 . 1 1 61 61 GLN CA C 61 55.350 55.350 55.420 -0.071 18154 10317 1 14 . 1 1 61 61 GLN CB C 61 29.160 29.160 27.529 1.631 18154 10318 1 14 . 1 1 62 62 GLY N N 62 108.420 108.420 107.746 0.674 18154 10319 1 14 . 1 1 62 62 GLY C C 62 173.134 173.134 174.255 -1.121 18154 10320 1 14 . 1 1 62 62 GLY CA C 62 45.784 45.784 45.429 0.355 18154 10321 1 14 . 1 1 62 62 GLY H H 62 8.073 8.073 7.738 0.335 18154 10322 1 14 . 1 1 63 63 ASP N N 63 118.400 118.400 119.880 -1.480 18154 10323 1 14 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.469 0.311 18154 10324 1 14 . 1 1 63 63 ASP CA C 63 53.296 53.296 54.380 -1.084 18154 10325 1 14 . 1 1 63 63 ASP CB C 63 42.740 42.740 41.339 1.401 18154 10326 1 14 . 1 1 63 63 ASP H H 63 7.248 7.248 8.277 -1.029 18154 10327 1 14 . 1 1 64 64 LEU HA H 64 4.400 4.400 3.983 0.417 18154 10328 1 14 . 1 1 64 64 LEU CA C 64 53.150 53.150 54.172 -1.022 18154 10329 1 14 . 1 1 64 64 LEU CB C 64 41.687 41.687 41.272 0.415 18154 10330 1 14 . 1 1 64 64 LEU H H 64 8.445 8.445 7.458 0.987 18154 10331 1 14 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.410 -0.117 18154 10332 1 14 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.966 -0.622 18154 10333 1 14 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.465 0.015 18154 10334 1 14 . 1 1 66 66 ASP N N 66 121.200 121.200 122.128 -0.928 18154 10335 1 14 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.289 -0.029 18154 10336 1 14 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.606 1.024 18154 10337 1 14 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.637 0.163 18154 10338 1 14 . 1 1 66 66 ASP H H 66 8.605 8.605 8.907 -0.302 18154 10339 1 14 . 1 1 67 67 SER HA H 67 4.292 4.292 4.297 -0.005 18154 10340 1 14 . 1 1 67 67 SER C C 67 175.650 175.650 175.027 0.623 18154 10341 1 14 . 1 1 67 67 SER CA C 67 60.500 60.500 60.288 0.212 18154 10342 1 14 . 1 1 67 67 SER CB C 67 63.530 63.530 63.433 0.097 18154 10343 1 14 . 1 1 68 68 ILE N N 68 120.550 120.550 120.643 -0.093 18154 10344 1 14 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.447 0.663 18154 10345 1 14 . 1 1 68 68 ILE C C 68 174.713 174.713 176.412 -1.699 18154 10346 1 14 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.885 -0.485 18154 10347 1 14 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.410 3.829 18154 10348 1 14 . 1 1 68 68 ILE H H 68 7.870 7.870 7.575 0.295 18154 10349 1 14 . 1 1 69 69 VAL N N 69 125.740 125.740 123.575 2.165 18154 10350 1 14 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.695 0.050 18154 10351 1 14 . 1 1 69 69 VAL C C 69 174.500 174.500 174.856 -0.356 18154 10352 1 14 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.599 -1.049 18154 10353 1 14 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.157 0.973 18154 10354 1 14 . 1 1 69 69 VAL H H 69 7.428 7.428 8.446 -1.018 18154 10355 1 14 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.332 -0.040 18154 10356 1 14 . 1 1 70 70 PRO C C 70 180.820 180.820 178.579 2.241 18154 10357 1 14 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.140 0.330 18154 10358 1 14 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.253 -0.596 18154 10359 1 14 . 1 1 71 71 LEU N N 71 119.467 119.467 119.862 -0.395 18154 10360 1 14 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.025 -0.180 18154 10361 1 14 . 1 1 71 71 LEU C C 71 176.489 176.489 178.411 -1.922 18154 10362 1 14 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.809 0.399 18154 10363 1 14 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.748 -0.262 18154 10364 1 14 . 1 1 71 71 LEU H H 71 7.918 7.918 7.602 0.316 18154 10365 1 14 . 1 1 72 72 PHE N N 72 119.361 119.361 119.554 -0.193 18154 10366 1 14 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.373 -0.228 18154 10367 1 14 . 1 1 72 72 PHE C C 72 175.968 175.968 177.073 -1.105 18154 10368 1 14 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.794 0.027 18154 10369 1 14 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.704 0.843 18154 10370 1 14 . 1 1 72 72 PHE H H 72 7.903 7.903 8.803 -0.900 18154 10371 1 14 . 1 1 73 73 GLN N N 73 116.100 116.100 117.046 -0.946 18154 10372 1 14 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.689 -0.162 18154 10373 1 14 . 1 1 73 73 GLN C C 73 177.871 177.871 178.561 -0.690 18154 10374 1 14 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.908 -0.768 18154 10375 1 14 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.431 -0.284 18154 10376 1 14 . 1 1 73 73 GLN H H 73 9.042 9.042 8.444 0.598 18154 10377 1 14 . 1 1 74 74 GLY N N 74 107.110 107.110 108.605 -1.495 18154 10378 1 14 . 1 1 74 74 GLY C C 74 175.894 175.894 176.167 -0.273 18154 10379 1 14 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.958 0.322 18154 10380 1 14 . 1 1 74 74 GLY H H 74 8.045 8.045 8.190 -0.145 18154 10381 1 14 . 1 1 75 75 ILE N N 75 123.629 123.629 122.812 0.817 18154 10382 1 14 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.357 -0.307 18154 10383 1 14 . 1 1 75 75 ILE C C 75 178.622 178.622 177.135 1.487 18154 10384 1 14 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.938 0.320 18154 10385 1 14 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.415 0.553 18154 10386 1 14 . 1 1 75 75 ILE H H 75 8.174 8.174 8.145 0.029 18154 10387 1 14 . 1 1 76 76 LYS N N 76 119.363 119.363 118.680 0.683 18154 10388 1 14 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.767 -0.462 18154 10389 1 14 . 1 1 76 76 LYS C C 76 177.909 177.909 178.248 -0.339 18154 10390 1 14 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.295 0.410 18154 10391 1 14 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.898 0.452 18154 10392 1 14 . 1 1 76 76 LYS H H 76 7.600 7.600 7.437 0.163 18154 10393 1 14 . 1 1 77 77 ASP N N 77 115.190 115.190 118.309 -3.119 18154 10394 1 14 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.595 -0.113 18154 10395 1 14 . 1 1 77 77 ASP C C 77 178.825 178.825 178.399 0.426 18154 10396 1 14 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.098 0.182 18154 10397 1 14 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.812 -0.622 18154 10398 1 14 . 1 1 77 77 ASP H H 77 8.482 8.482 8.333 0.149 18154 10399 1 14 . 1 1 78 78 SER N N 78 112.576 112.576 116.079 -3.503 18154 10400 1 14 . 1 1 78 78 SER HA H 78 4.728 4.728 4.395 0.333 18154 10401 1 14 . 1 1 78 78 SER C C 78 174.556 174.556 174.918 -0.362 18154 10402 1 14 . 1 1 78 78 SER CA C 78 60.045 60.045 60.556 -0.511 18154 10403 1 14 . 1 1 78 78 SER CB C 78 64.643 64.643 63.945 0.698 18154 10404 1 14 . 1 1 78 78 SER H H 78 8.273 8.273 8.010 0.263 18154 10405 1 14 . 1 1 79 79 LEU N N 79 120.833 120.833 121.087 -0.254 18154 10406 1 14 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.430 0.385 18154 10407 1 14 . 1 1 79 79 LEU C C 79 176.251 176.251 178.731 -2.480 18154 10408 1 14 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.279 -2.319 18154 10409 1 14 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.411 -3.215 18154 10410 1 14 . 1 1 79 79 LEU H H 79 7.025 7.025 7.529 -0.504 18154 10411 1 14 . 1 1 80 80 GLY N N 80 108.861 108.861 107.168 1.693 18154 10412 1 14 . 1 1 80 80 GLY C C 80 173.623 173.623 173.736 -0.113 18154 10413 1 14 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.395 -0.166 18154 10414 1 14 . 1 1 80 80 GLY H H 80 7.499 7.499 8.232 -0.733 18154 10415 1 14 . 1 1 81 81 PHE N N 81 121.441 121.441 119.314 2.127 18154 10416 1 14 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.657 0.403 18154 10417 1 14 . 1 1 81 81 PHE C C 81 174.411 174.411 172.412 1.999 18154 10418 1 14 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.475 -0.264 18154 10419 1 14 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.792 -1.173 18154 10420 1 14 . 1 1 81 81 PHE H H 81 8.018 8.018 7.371 0.647 18154 10421 1 14 . 1 1 82 82 GLN N N 82 126.480 126.480 121.547 4.933 18154 10422 1 14 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.720 0.170 18154 10423 1 14 . 1 1 82 82 GLN C C 82 172.700 172.700 173.682 -0.982 18154 10424 1 14 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.548 1.629 18154 10425 1 14 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.574 2.026 18154 10426 1 14 . 1 1 82 82 GLN H H 82 9.588 9.588 7.691 1.897 18154 10427 1 14 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.317 0.056 18154 10428 1 14 . 1 1 83 83 PRO C C 83 178.163 178.163 176.692 1.471 18154 10429 1 14 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.438 -0.747 18154 10430 1 14 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.667 -0.802 18154 10431 1 14 . 1 1 84 84 ASN N N 84 116.900 116.900 116.205 0.695 18154 10432 1 14 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.855 -0.086 18154 10433 1 14 . 1 1 84 84 ASN C C 84 173.332 173.332 173.603 -0.271 18154 10434 1 14 . 1 1 84 84 ASN CA C 84 52.560 52.560 53.179 -0.619 18154 10435 1 14 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.350 -1.090 18154 10436 1 14 . 1 1 84 84 ASN H H 84 8.578 8.578 7.748 0.830 18154 10437 1 14 . 1 1 85 85 LEU N N 85 124.380 124.380 121.625 2.755 18154 10438 1 14 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.455 -0.409 18154 10439 1 14 . 1 1 85 85 LEU C C 85 175.880 175.880 176.140 -0.260 18154 10440 1 14 . 1 1 85 85 LEU CA C 85 55.842 55.842 55.389 0.453 18154 10441 1 14 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.132 -0.832 18154 10442 1 14 . 1 1 85 85 LEU H H 85 7.240 7.240 7.791 -0.551 18154 10443 1 14 . 1 1 86 86 ARG N N 86 128.715 128.715 122.934 5.781 18154 10444 1 14 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.718 0.076 18154 10445 1 14 . 1 1 86 86 ARG C C 86 175.554 175.554 175.468 0.086 18154 10446 1 14 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.574 0.869 18154 10447 1 14 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.462 -0.589 18154 10448 1 14 . 1 1 86 86 ARG H H 86 7.732 7.732 8.190 -0.458 18154 10449 1 14 . 1 1 87 87 TYR N N 87 117.420 117.420 117.589 -0.169 18154 10450 1 14 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.855 0.910 18154 10451 1 14 . 1 1 87 87 TYR C C 87 172.931 172.931 173.540 -0.609 18154 10452 1 14 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.244 -0.983 18154 10453 1 14 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.642 3.296 18154 10454 1 14 . 1 1 87 87 TYR H H 87 8.783 8.783 8.071 0.712 18154 10455 1 14 . 1 1 88 88 GLY N N 88 107.765 107.765 105.013 2.752 18154 10456 1 14 . 1 1 88 88 GLY C C 88 172.621 172.621 171.687 0.934 18154 10457 1 14 . 1 1 88 88 GLY CA C 88 43.861 43.861 44.175 -0.314 18154 10458 1 14 . 1 1 88 88 GLY H H 88 8.905 8.905 8.376 0.529 18154 10459 1 14 . 1 1 89 89 VAL N N 89 118.180 118.180 116.684 1.496 18154 10460 1 14 . 1 1 89 89 VAL HA H 89 5.001 5.001 5.255 -0.254 18154 10461 1 14 . 1 1 89 89 VAL C C 89 172.939 172.939 173.110 -0.171 18154 10462 1 14 . 1 1 89 89 VAL CA C 89 60.999 60.999 58.609 2.390 18154 10463 1 14 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.742 0.656 18154 10464 1 14 . 1 1 89 89 VAL H H 89 7.499 7.499 8.356 -0.857 18154 10465 1 14 . 1 1 90 90 ILE N N 90 125.000 125.000 122.322 2.678 18154 10466 1 14 . 1 1 90 90 ILE HA H 90 4.127 4.127 3.992 0.135 18154 10467 1 14 . 1 1 90 90 ILE C C 90 173.099 173.099 173.743 -0.644 18154 10468 1 14 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.882 0.606 18154 10469 1 14 . 1 1 90 90 ILE CB C 90 40.398 40.398 39.653 0.745 18154 10470 1 14 . 1 1 90 90 ILE H H 90 8.810 8.810 8.587 0.223 18154 10471 1 14 . 1 1 91 91 ALA N N 91 129.036 129.036 129.963 -0.927 18154 10472 1 14 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.312 0.014 18154 10473 1 14 . 1 1 91 91 ALA C C 91 174.000 174.000 175.784 -1.784 18154 10474 1 14 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.720 -0.720 18154 10475 1 14 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.192 0.908 18154 10476 1 14 . 1 1 91 91 ALA H H 91 9.253 9.253 8.853 0.400 18154 10477 1 14 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.056 -0.125 18154 10478 1 14 . 1 1 92 92 LEU C C 92 177.366 177.366 176.602 0.764 18154 10479 1 14 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.347 0.570 18154 10480 1 14 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.342 -2.942 18154 10481 1 14 . 1 1 93 93 GLY N N 93 110.663 110.663 108.526 2.137 18154 10482 1 14 . 1 1 93 93 GLY C C 93 172.029 172.029 172.006 0.023 18154 10483 1 14 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.667 0.063 18154 10484 1 14 . 1 1 93 93 GLY H H 93 8.687 8.687 9.006 -0.319 18154 10485 1 14 . 1 1 94 94 ASP N N 94 119.304 119.304 118.891 0.413 18154 10486 1 14 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.033 0.227 18154 10487 1 14 . 1 1 94 94 ASP C C 94 176.978 176.978 177.711 -0.733 18154 10488 1 14 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.664 0.943 18154 10489 1 14 . 1 1 94 94 ASP CB C 94 43.000 43.000 41.045 1.955 18154 10490 1 14 . 1 1 94 94 ASP H H 94 8.129 8.129 8.494 -0.365 18154 10491 1 14 . 1 1 95 95 SER N N 95 123.897 123.897 119.942 3.955 18154 10492 1 14 . 1 1 95 95 SER HA H 95 3.895 3.895 4.443 -0.548 18154 10493 1 14 . 1 1 95 95 SER C C 95 175.243 175.243 175.469 -0.226 18154 10494 1 14 . 1 1 95 95 SER CA C 95 60.183 60.183 60.760 -0.577 18154 10495 1 14 . 1 1 95 95 SER CB C 95 61.700 61.700 62.729 -1.029 18154 10496 1 14 . 1 1 95 95 SER H H 95 8.878 8.878 9.115 -0.237 18154 10497 1 14 . 1 1 96 96 SER N N 96 119.248 119.248 116.820 2.428 18154 10498 1 14 . 1 1 96 96 SER HA H 96 4.209 4.209 4.250 -0.041 18154 10499 1 14 . 1 1 96 96 SER C C 96 173.900 173.900 174.954 -1.054 18154 10500 1 14 . 1 1 96 96 SER CA C 96 60.197 60.197 60.136 0.060 18154 10501 1 14 . 1 1 96 96 SER CB C 96 63.000 63.000 63.489 -0.489 18154 10502 1 14 . 1 1 96 96 SER H H 96 9.124 9.124 7.701 1.423 18154 10503 1 14 . 1 1 97 97 TYR N N 97 120.889 120.889 121.824 -0.935 18154 10504 1 14 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.538 0.350 18154 10505 1 14 . 1 1 97 97 TYR C C 97 175.972 175.972 175.661 0.311 18154 10506 1 14 . 1 1 97 97 TYR CA C 97 55.750 55.750 57.688 -1.938 18154 10507 1 14 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.429 0.390 18154 10508 1 14 . 1 1 97 97 TYR H H 97 7.664 7.664 7.835 -0.171 18154 10509 1 14 . 1 1 98 98 VAL N N 98 116.952 116.952 117.974 -1.022 18154 10510 1 14 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.950 0.110 18154 10511 1 14 . 1 1 98 98 VAL C C 98 175.969 175.969 176.214 -0.245 18154 10512 1 14 . 1 1 98 98 VAL CA C 98 62.840 62.840 62.676 0.164 18154 10513 1 14 . 1 1 98 98 VAL CB C 98 32.600 32.600 32.923 -0.323 18154 10514 1 14 . 1 1 98 98 VAL H H 98 7.970 7.970 8.271 -0.301 18154 10515 1 14 . 1 1 99 99 ASN N N 99 118.156 118.156 114.901 3.255 18154 10516 1 14 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.416 0.095 18154 10517 1 14 . 1 1 99 99 ASN C C 99 174.329 174.329 174.582 -0.253 18154 10518 1 14 . 1 1 99 99 ASN CA C 99 53.031 53.031 53.977 -0.946 18154 10519 1 14 . 1 1 99 99 ASN CB C 99 37.238 37.238 36.432 0.806 18154 10520 1 14 . 1 1 99 99 ASN H H 99 8.296 8.296 8.621 -0.325 18154 10521 1 14 . 1 1 100 100 PHE N N 100 118.649 118.649 119.292 -0.643 18154 10522 1 14 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.256 0.159 18154 10523 1 14 . 1 1 100 100 PHE C C 100 174.400 174.400 176.292 -1.892 18154 10524 1 14 . 1 1 100 100 PHE CA C 100 58.190 58.190 59.946 -1.756 18154 10525 1 14 . 1 1 100 100 PHE CB C 100 39.679 39.679 39.134 0.545 18154 10526 1 14 . 1 1 100 100 PHE H H 100 7.855 7.855 8.211 -0.356 18154 10527 1 14 . 1 1 101 101 CYS HA H 101 3.585 3.585 3.678 -0.093 18154 10528 1 14 . 1 1 101 101 CYS CA C 101 62.740 62.740 59.985 2.755 18154 10529 1 14 . 1 1 101 101 CYS CB C 101 26.000 26.000 25.437 0.563 18154 10530 1 14 . 1 1 101 101 CYS H H 101 9.240 9.240 8.546 0.694 18154 10531 1 14 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.363 -0.143 18154 10532 1 14 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.158 1.042 18154 10533 1 14 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.705 -0.105 18154 10534 1 14 . 1 1 102 102 ASN H H 102 8.300 8.300 8.180 0.120 18154 10535 1 14 . 1 1 103 103 GLY C C 103 175.690 175.690 175.743 -0.053 18154 10536 1 14 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.114 0.236 18154 10537 1 14 . 1 1 104 104 GLY N N 104 106.150 106.150 109.804 -3.654 18154 10538 1 14 . 1 1 104 104 GLY C C 104 174.570 174.570 176.172 -1.602 18154 10539 1 14 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.395 0.955 18154 10540 1 14 . 1 1 104 104 GLY H H 104 7.108 7.108 7.617 -0.509 18154 10541 1 14 . 1 1 105 105 LYS N N 105 120.732 120.732 122.500 -1.768 18154 10542 1 14 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.966 -0.029 18154 10543 1 14 . 1 1 105 105 LYS C C 105 179.706 179.706 179.248 0.458 18154 10544 1 14 . 1 1 105 105 LYS CA C 105 60.308 60.308 60.057 0.251 18154 10545 1 14 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.265 -0.468 18154 10546 1 14 . 1 1 105 105 LYS H H 105 7.708 7.708 7.599 0.109 18154 10547 1 14 . 1 1 106 106 GLN N N 106 119.087 119.087 118.422 0.665 18154 10548 1 14 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.136 0.006 18154 10549 1 14 . 1 1 106 106 GLN C C 106 179.418 179.418 178.666 0.752 18154 10550 1 14 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.494 0.381 18154 10551 1 14 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.198 0.561 18154 10552 1 14 . 1 1 106 106 GLN H H 106 8.738 8.738 8.497 0.241 18154 10553 1 14 . 1 1 107 107 PHE N N 107 123.088 123.088 120.807 2.281 18154 10554 1 14 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.370 -0.120 18154 10555 1 14 . 1 1 107 107 PHE C C 107 178.403 178.403 177.769 0.634 18154 10556 1 14 . 1 1 107 107 PHE CA C 107 62.185 62.185 62.041 0.144 18154 10557 1 14 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.997 0.454 18154 10558 1 14 . 1 1 107 107 PHE H H 107 7.922 7.922 8.115 -0.193 18154 10559 1 14 . 1 1 108 108 ASP N N 108 117.118 117.118 120.360 -3.242 18154 10560 1 14 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.535 -0.161 18154 10561 1 14 . 1 1 108 108 ASP C C 108 176.973 176.973 178.350 -1.377 18154 10562 1 14 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.627 0.802 18154 10563 1 14 . 1 1 108 108 ASP CB C 108 44.123 44.123 40.965 3.158 18154 10564 1 14 . 1 1 108 108 ASP H H 108 8.305 8.305 8.575 -0.270 18154 10565 1 14 . 1 1 109 109 ALA N N 109 118.590 118.590 122.509 -3.919 18154 10566 1 14 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.023 0.027 18154 10567 1 14 . 1 1 109 109 ALA C C 109 180.430 180.430 179.371 1.059 18154 10568 1 14 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.294 -0.098 18154 10569 1 14 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.606 -0.499 18154 10570 1 14 . 1 1 109 109 ALA H H 109 8.332 8.332 8.178 0.154 18154 10571 1 14 . 1 1 110 110 LEU N N 110 120.402 120.402 120.159 0.243 18154 10572 1 14 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.775 0.310 18154 10573 1 14 . 1 1 110 110 LEU C C 110 177.801 177.801 178.925 -1.124 18154 10574 1 14 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.597 0.043 18154 10575 1 14 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.789 0.967 18154 10576 1 14 . 1 1 110 110 LEU H H 110 7.868 7.868 8.111 -0.243 18154 10577 1 14 . 1 1 111 111 LEU N N 111 116.945 116.945 116.575 0.370 18154 10578 1 14 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.735 -0.017 18154 10579 1 14 . 1 1 111 111 LEU C C 111 179.838 179.838 179.188 0.650 18154 10580 1 14 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.498 0.467 18154 10581 1 14 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.014 -2.154 18154 10582 1 14 . 1 1 111 111 LEU H H 111 7.704 7.704 7.365 0.339 18154 10583 1 14 . 1 1 112 112 GLN N N 112 118.484 118.484 117.947 0.537 18154 10584 1 14 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.130 0.011 18154 10585 1 14 . 1 1 112 112 GLN C C 112 181.218 181.218 178.691 2.527 18154 10586 1 14 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.868 1.098 18154 10587 1 14 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.034 1.226 18154 10588 1 14 . 1 1 112 112 GLN H H 112 8.441 8.441 7.966 0.475 18154 10589 1 14 . 1 1 113 113 GLU N N 113 122.905 122.905 118.444 4.461 18154 10590 1 14 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.067 0.114 18154 10591 1 14 . 1 1 113 113 GLU C C 113 178.001 178.001 178.106 -0.105 18154 10592 1 14 . 1 1 113 113 GLU CA C 113 58.985 58.985 58.283 0.702 18154 10593 1 14 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.391 -0.121 18154 10594 1 14 . 1 1 113 113 GLU H H 113 8.305 8.305 8.060 0.245 18154 10595 1 14 . 1 1 114 114 GLN N N 114 117.332 117.332 117.825 -0.493 18154 10596 1 14 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.213 0.382 18154 10597 1 14 . 1 1 114 114 GLN C C 114 174.538 174.538 177.275 -2.737 18154 10598 1 14 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.857 -1.440 18154 10599 1 14 . 1 1 114 114 GLN CB C 114 25.830 25.830 29.941 -4.111 18154 10600 1 14 . 1 1 114 114 GLN H H 114 7.520 7.520 7.666 -0.146 18154 10601 1 14 . 1 1 115 115 SER N N 115 109.100 109.100 108.637 0.463 18154 10602 1 14 . 1 1 115 115 SER HA H 115 4.200 4.200 4.505 -0.305 18154 10603 1 14 . 1 1 115 115 SER C C 115 172.302 172.302 173.871 -1.569 18154 10604 1 14 . 1 1 115 115 SER CA C 115 60.400 60.400 58.309 2.091 18154 10605 1 14 . 1 1 115 115 SER CB C 115 61.325 61.325 64.499 -3.174 18154 10606 1 14 . 1 1 115 115 SER H H 115 7.950 7.950 7.922 0.028 18154 10607 1 14 . 1 1 116 116 ALA N N 116 121.059 121.059 125.984 -4.925 18154 10608 1 14 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.258 0.536 18154 10609 1 14 . 1 1 116 116 ALA C C 116 176.774 176.774 176.422 0.352 18154 10610 1 14 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.803 -1.113 18154 10611 1 14 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.233 1.132 18154 10612 1 14 . 1 1 116 116 ALA H H 116 7.813 7.813 7.742 0.071 18154 10613 1 14 . 1 1 117 117 GLN N N 117 118.000 118.000 119.437 -1.437 18154 10614 1 14 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.676 -0.058 18154 10615 1 14 . 1 1 117 117 GLN C C 117 173.769 173.769 175.087 -1.318 18154 10616 1 14 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.599 -0.042 18154 10617 1 14 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.214 -0.479 18154 10618 1 14 . 1 1 117 117 GLN H H 117 8.591 8.591 8.255 0.336 18154 10619 1 14 . 1 1 118 118 ARG N N 118 127.947 127.947 125.511 2.436 18154 10620 1 14 . 1 1 118 118 ARG HA H 118 3.308 3.308 3.393 -0.086 18154 10621 1 14 . 1 1 118 118 ARG C C 118 176.758 176.758 175.315 1.443 18154 10622 1 14 . 1 1 118 118 ARG CA C 118 56.186 56.186 56.194 -0.008 18154 10623 1 14 . 1 1 118 118 ARG CB C 118 30.310 30.310 31.254 -0.944 18154 10624 1 14 . 1 1 118 118 ARG H H 118 8.659 8.659 8.806 -0.147 18154 10625 1 14 . 1 1 119 119 VAL N N 119 131.939 131.939 123.373 8.566 18154 10626 1 14 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.245 -0.133 18154 10627 1 14 . 1 1 119 119 VAL C C 119 176.775 176.775 176.312 0.463 18154 10628 1 14 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.566 0.608 18154 10629 1 14 . 1 1 119 119 VAL CB C 119 32.394 32.394 32.539 -0.145 18154 10630 1 14 . 1 1 119 119 VAL H H 119 9.520 9.520 8.298 1.222 18154 10631 1 14 . 1 1 120 120 GLY N N 120 116.074 116.074 115.789 0.285 18154 10632 1 14 . 1 1 120 120 GLY C C 120 172.757 172.757 173.487 -0.730 18154 10633 1 14 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.197 -1.299 18154 10634 1 14 . 1 1 120 120 GLY H H 120 8.755 8.755 8.425 0.330 18154 10635 1 14 . 1 1 121 121 GLU N N 121 118.754 118.754 118.232 0.522 18154 10636 1 14 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.682 -0.016 18154 10637 1 14 . 1 1 121 121 GLU C C 121 177.419 177.419 176.171 1.248 18154 10638 1 14 . 1 1 121 121 GLU CA C 121 54.491 54.491 55.202 -0.711 18154 10639 1 14 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.858 0.640 18154 10640 1 14 . 1 1 121 121 GLU H H 121 8.594 8.594 8.616 -0.022 18154 10641 1 14 . 1 1 122 122 MET N N 122 122.642 122.642 119.922 2.720 18154 10642 1 14 . 1 1 122 122 MET HA H 122 4.415 4.415 4.917 -0.502 18154 10643 1 14 . 1 1 122 122 MET C C 122 175.351 175.351 174.942 0.409 18154 10644 1 14 . 1 1 122 122 MET CA C 122 57.024 57.024 54.601 2.423 18154 10645 1 14 . 1 1 122 122 MET CB C 122 34.210 34.210 34.009 0.201 18154 10646 1 14 . 1 1 122 122 MET H H 122 8.892 8.892 8.362 0.530 18154 10647 1 14 . 1 1 123 123 LEU N N 123 129.535 129.535 121.327 8.208 18154 10648 1 14 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.439 -0.089 18154 10649 1 14 . 1 1 123 123 LEU C C 123 173.124 173.124 174.462 -1.338 18154 10650 1 14 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.108 0.631 18154 10651 1 14 . 1 1 123 123 LEU CB C 123 41.078 41.078 43.218 -2.140 18154 10652 1 14 . 1 1 123 123 LEU H H 123 7.868 7.868 7.250 0.618 18154 10653 1 14 . 1 1 124 124 LEU N N 124 127.120 127.120 126.060 1.060 18154 10654 1 14 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.781 0.274 18154 10655 1 14 . 1 1 124 124 LEU C C 124 176.379 176.379 176.171 0.208 18154 10656 1 14 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.137 0.413 18154 10657 1 14 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.936 -1.558 18154 10658 1 14 . 1 1 124 124 LEU H H 124 8.346 8.346 8.259 0.087 18154 10659 1 14 . 1 1 125 125 ILE N N 125 124.337 124.337 124.786 -0.449 18154 10660 1 14 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.202 -0.022 18154 10661 1 14 . 1 1 125 125 ILE C C 125 174.303 174.303 174.777 -0.474 18154 10662 1 14 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.862 0.238 18154 10663 1 14 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.773 -0.830 18154 10664 1 14 . 1 1 125 125 ILE H H 125 8.974 8.974 8.385 0.589 18154 10665 1 14 . 1 1 126 126 ASP N N 126 127.113 127.113 128.253 -1.140 18154 10666 1 14 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.585 -0.470 18154 10667 1 14 . 1 1 126 126 ASP C C 126 176.766 176.766 176.485 0.281 18154 10668 1 14 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.159 -0.312 18154 10669 1 14 . 1 1 126 126 ASP CB C 126 41.100 41.100 41.262 -0.162 18154 10670 1 14 . 1 1 126 126 ASP H H 126 9.397 9.397 8.901 0.496 18154 10671 1 14 . 1 1 127 127 ALA N N 127 131.178 131.178 131.081 0.097 18154 10672 1 14 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.566 -0.250 18154 10673 1 14 . 1 1 127 127 ALA C C 127 178.530 178.530 178.677 -0.147 18154 10674 1 14 . 1 1 127 127 ALA CA C 127 53.847 53.847 53.924 -0.077 18154 10675 1 14 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.147 -0.355 18154 10676 1 14 . 1 1 127 127 ALA H H 127 9.696 9.696 9.172 0.524 18154 10677 1 14 . 1 1 128 128 SER N N 128 112.064 112.064 113.179 -1.115 18154 10678 1 14 . 1 1 128 128 SER HA H 128 4.224 4.224 4.304 -0.080 18154 10679 1 14 . 1 1 128 128 SER C C 128 175.000 175.000 175.303 -0.303 18154 10680 1 14 . 1 1 128 128 SER CA C 128 61.246 61.246 60.464 0.782 18154 10681 1 14 . 1 1 128 128 SER CB C 128 63.310 63.310 63.414 -0.104 18154 10682 1 14 . 1 1 128 128 SER H H 128 8.373 8.373 8.074 0.299 18154 10683 1 14 . 1 1 129 129 GLU N N 129 119.468 119.468 119.488 -0.020 18154 10684 1 14 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.460 -0.060 18154 10685 1 14 . 1 1 129 129 GLU C C 129 175.947 175.947 176.023 -0.076 18154 10686 1 14 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.820 -0.405 18154 10687 1 14 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.868 -0.138 18154 10688 1 14 . 1 1 129 129 GLU H H 129 7.267 7.267 7.651 -0.384 18154 10689 1 14 . 1 1 130 130 ASN N N 130 115.968 115.968 118.267 -2.299 18154 10690 1 14 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.144 0.022 18154 10691 1 14 . 1 1 130 130 ASN C C 130 172.000 172.000 173.961 -1.961 18154 10692 1 14 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.594 -0.371 18154 10693 1 14 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.774 -0.108 18154 10694 1 14 . 1 1 130 130 ASN H H 130 8.072 8.072 8.259 -0.187 18154 10695 1 14 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.503 0.047 18154 10696 1 14 . 1 1 131 131 PRO C C 131 176.400 176.400 176.133 0.267 18154 10697 1 14 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.815 -0.315 18154 10698 1 14 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.650 0.650 18154 10699 1 14 . 1 1 132 132 GLU N N 132 119.000 119.000 118.705 0.295 18154 10700 1 14 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.902 0.118 18154 10701 1 14 . 1 1 132 132 GLU C C 132 174.200 174.200 175.228 -1.028 18154 10702 1 14 . 1 1 132 132 GLU CA C 132 53.000 53.000 52.977 0.023 18154 10703 1 14 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.374 0.326 18154 10704 1 14 . 1 1 132 132 GLU H H 132 7.690 7.690 8.122 -0.432 18154 10705 1 14 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.223 -0.223 18154 10706 1 14 . 1 1 133 133 PRO C C 133 177.391 177.391 178.043 -0.652 18154 10707 1 14 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.218 0.251 18154 10708 1 14 . 1 1 133 133 PRO CB C 133 32.145 32.145 32.006 0.139 18154 10709 1 14 . 1 1 134 134 GLU N N 134 122.846 122.846 118.222 4.624 18154 10710 1 14 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.205 1.015 18154 10711 1 14 . 1 1 134 134 GLU C C 134 178.385 178.385 178.695 -0.310 18154 10712 1 14 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.408 -1.816 18154 10713 1 14 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.169 -1.579 18154 10714 1 14 . 1 1 134 134 GLU H H 134 10.707 10.707 8.931 1.776 18154 10715 1 14 . 1 1 135 135 THR N N 135 113.016 113.016 110.054 2.962 18154 10716 1 14 . 1 1 135 135 THR HA H 135 4.182 4.182 4.221 -0.039 18154 10717 1 14 . 1 1 135 135 THR C C 135 176.460 176.460 175.911 0.549 18154 10718 1 14 . 1 1 135 135 THR CA C 135 64.752 64.752 64.839 -0.087 18154 10719 1 14 . 1 1 135 135 THR CB C 135 69.248 69.248 68.948 0.300 18154 10720 1 14 . 1 1 135 135 THR H H 135 8.168 8.168 8.037 0.131 18154 10721 1 14 . 1 1 136 136 GLU N N 136 118.978 118.978 121.386 -2.408 18154 10722 1 14 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.526 0.038 18154 10723 1 14 . 1 1 136 136 GLU C C 136 178.370 178.370 178.604 -0.234 18154 10724 1 14 . 1 1 136 136 GLU CA C 136 56.913 56.913 57.839 -0.926 18154 10725 1 14 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.986 1.114 18154 10726 1 14 . 1 1 136 136 GLU H H 136 7.680 7.680 7.650 0.030 18154 10727 1 14 . 1 1 137 137 SER N N 137 116.501 116.501 116.143 0.358 18154 10728 1 14 . 1 1 137 137 SER HA H 137 4.033 4.033 4.185 -0.152 18154 10729 1 14 . 1 1 137 137 SER C C 137 175.670 175.670 176.596 -0.926 18154 10730 1 14 . 1 1 137 137 SER CA C 137 62.330 62.330 62.163 0.167 18154 10731 1 14 . 1 1 137 137 SER CB C 137 61.380 61.380 62.974 -1.594 18154 10732 1 14 . 1 1 137 137 SER H H 137 8.824 8.824 8.467 0.357 18154 10733 1 14 . 1 1 138 138 ASN N N 138 123.517 123.517 121.235 2.282 18154 10734 1 14 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.746 -0.155 18154 10735 1 14 . 1 1 138 138 ASN C C 138 175.700 175.700 175.375 0.325 18154 10736 1 14 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.772 -0.285 18154 10737 1 14 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.051 -2.798 18154 10738 1 14 . 1 1 138 138 ASN H H 138 8.564 8.564 8.131 0.433 18154 10739 1 14 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.321 0.134 18154 10740 1 14 . 1 1 139 139 PRO C C 139 180.033 180.033 178.417 1.616 18154 10741 1 14 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.265 0.345 18154 10742 1 14 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.302 -0.766 18154 10743 1 14 . 1 1 140 140 TRP N N 140 119.700 119.700 121.817 -2.117 18154 10744 1 14 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.420 -0.087 18154 10745 1 14 . 1 1 140 140 TRP C C 140 179.195 179.195 177.997 1.198 18154 10746 1 14 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.795 0.384 18154 10747 1 14 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.590 1.161 18154 10748 1 14 . 1 1 140 140 TRP H H 140 7.057 7.057 7.667 -0.610 18154 10749 1 14 . 1 1 141 141 VAL N N 141 122.879 122.879 119.507 3.372 18154 10750 1 14 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.673 0.063 18154 10751 1 14 . 1 1 141 141 VAL C C 141 177.416 177.416 178.543 -1.127 18154 10752 1 14 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.167 -0.451 18154 10753 1 14 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.590 -0.158 18154 10754 1 14 . 1 1 141 141 VAL H H 141 9.629 9.629 8.716 0.913 18154 10755 1 14 . 1 1 142 142 GLU N N 142 119.965 119.965 119.272 0.693 18154 10756 1 14 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.008 -0.276 18154 10757 1 14 . 1 1 142 142 GLU C C 142 178.800 178.800 178.775 0.025 18154 10758 1 14 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.271 0.061 18154 10759 1 14 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.293 0.267 18154 10760 1 14 . 1 1 142 142 GLU H H 142 8.551 8.551 8.341 0.210 18154 10761 1 14 . 1 1 143 143 GLN N N 143 115.364 115.364 120.072 -4.708 18154 10762 1 14 . 1 1 143 143 GLN HA H 143 4.290 4.290 4.076 0.214 18154 10763 1 14 . 1 1 143 143 GLN C C 143 177.840 177.840 177.912 -0.072 18154 10764 1 14 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.345 1.018 18154 10765 1 14 . 1 1 143 143 GLN CB C 143 29.362 29.362 28.420 0.942 18154 10766 1 14 . 1 1 143 143 GLN H H 143 7.380 7.380 7.865 -0.485 18154 10767 1 14 . 1 1 144 144 TRP N N 144 126.680 126.680 121.961 4.719 18154 10768 1 14 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.986 -0.652 18154 10769 1 14 . 1 1 144 144 TRP C C 144 178.200 178.200 178.607 -0.407 18154 10770 1 14 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.715 2.245 18154 10771 1 14 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.322 0.203 18154 10772 1 14 . 1 1 144 144 TRP H H 144 9.215 9.215 8.551 0.664 18154 10773 1 14 . 1 1 145 145 GLY N N 145 100.130 100.130 105.555 -5.425 18154 10774 1 14 . 1 1 145 145 GLY C C 145 177.391 177.391 175.479 1.912 18154 10775 1 14 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.356 -0.596 18154 10776 1 14 . 1 1 145 145 GLY H H 145 8.834 8.834 8.706 0.128 18154 10777 1 14 . 1 1 146 146 THR N N 146 110.831 110.831 113.943 -3.112 18154 10778 1 14 . 1 1 146 146 THR HA H 146 4.319 4.319 4.040 0.279 18154 10779 1 14 . 1 1 146 146 THR C C 146 175.574 175.574 175.680 -0.106 18154 10780 1 14 . 1 1 146 146 THR CA C 146 63.260 63.260 64.230 -0.970 18154 10781 1 14 . 1 1 146 146 THR CB C 146 69.660 69.660 68.523 1.137 18154 10782 1 14 . 1 1 146 146 THR H H 146 7.594 7.594 7.537 0.057 18154 10783 1 14 . 1 1 147 147 LEU N N 147 120.678 120.678 119.569 1.109 18154 10784 1 14 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.068 -0.010 18154 10785 1 14 . 1 1 147 147 LEU C C 147 177.176 177.176 177.019 0.157 18154 10786 1 14 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.562 -1.248 18154 10787 1 14 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.301 -0.073 18154 10788 1 14 . 1 1 147 147 LEU H H 147 7.458 7.458 7.418 0.040 18154 10789 1 14 . 1 1 148 148 LEU N N 148 117.062 117.062 119.007 -1.945 18154 10790 1 14 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.792 -0.074 18154 10791 1 14 . 1 1 148 148 LEU C C 148 175.570 175.570 176.746 -1.176 18154 10792 1 14 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.497 -0.546 18154 10793 1 14 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.101 -1.501 18154 10794 1 14 . 1 1 148 148 LEU H H 148 6.482 6.482 7.038 -0.556 18154 10795 1 15 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.499 -0.270 18154 10796 1 15 . 1 1 2 2 ALA C C 2 173.315 173.315 175.882 -2.567 18154 10797 1 15 . 1 1 2 2 ALA CA C 2 51.580 51.580 52.006 -0.426 18154 10798 1 15 . 1 1 2 2 ALA CB C 2 20.223 20.223 19.454 0.768 18154 10799 1 15 . 1 1 3 3 GLU N N 3 121.874 121.874 121.317 0.557 18154 10800 1 15 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.507 -0.233 18154 10801 1 15 . 1 1 3 3 GLU C C 3 174.545 174.545 175.698 -1.153 18154 10802 1 15 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.476 0.374 18154 10803 1 15 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.118 -0.398 18154 10804 1 15 . 1 1 3 3 GLU H H 3 8.696 8.696 8.810 -0.114 18154 10805 1 15 . 1 1 4 4 ILE N N 4 120.672 120.672 125.141 -4.469 18154 10806 1 15 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.749 0.360 18154 10807 1 15 . 1 1 4 4 ILE C C 4 175.463 175.463 174.818 0.645 18154 10808 1 15 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.101 -0.268 18154 10809 1 15 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.801 2.869 18154 10810 1 15 . 1 1 4 4 ILE H H 4 8.860 8.860 9.223 -0.363 18154 10811 1 15 . 1 1 5 5 GLY N N 5 119.310 119.310 114.464 4.846 18154 10812 1 15 . 1 1 5 5 GLY C C 5 171.260 171.260 172.695 -1.435 18154 10813 1 15 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.198 0.622 18154 10814 1 15 . 1 1 5 5 GLY H H 5 8.469 8.469 8.076 0.393 18154 10815 1 15 . 1 1 6 6 ILE N N 6 126.915 126.915 125.763 1.152 18154 10816 1 15 . 1 1 6 6 ILE HA H 6 5.190 5.190 4.949 0.241 18154 10817 1 15 . 1 1 6 6 ILE C C 6 173.901 173.901 174.382 -0.481 18154 10818 1 15 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.584 -0.584 18154 10819 1 15 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.734 -1.734 18154 10820 1 15 . 1 1 6 6 ILE H H 6 9.056 9.056 9.076 -0.020 18154 10821 1 15 . 1 1 7 7 PHE N N 7 127.354 127.354 127.388 -0.034 18154 10822 1 15 . 1 1 7 7 PHE HA H 7 4.512 4.512 4.876 -0.364 18154 10823 1 15 . 1 1 7 7 PHE C C 7 174.230 174.230 174.378 -0.148 18154 10824 1 15 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.687 1.723 18154 10825 1 15 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.501 1.227 18154 10826 1 15 . 1 1 7 7 PHE H H 7 8.960 8.960 9.404 -0.444 18154 10827 1 15 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.004 0.056 18154 10828 1 15 . 1 1 8 8 VAL C C 8 175.450 175.450 176.134 -0.684 18154 10829 1 15 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.159 1.041 18154 10830 1 15 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.797 0.640 18154 10831 1 15 . 1 1 9 9 GLY N N 9 115.000 115.000 117.240 -2.240 18154 10832 1 15 . 1 1 9 9 GLY C C 9 173.150 173.150 172.728 0.422 18154 10833 1 15 . 1 1 9 9 GLY CA C 9 45.000 45.000 45.079 -0.079 18154 10834 1 15 . 1 1 9 9 GLY H H 9 9.393 9.393 8.774 0.619 18154 10835 1 15 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.135 0.560 18154 10836 1 15 . 1 1 12 12 TYR C C 12 176.560 176.560 175.509 1.051 18154 10837 1 15 . 1 1 12 12 TYR CA C 12 57.750 57.750 59.203 -1.453 18154 10838 1 15 . 1 1 12 12 TYR CB C 12 38.000 38.000 35.639 2.361 18154 10839 1 15 . 1 1 13 13 GLY N N 13 109.870 109.870 103.911 5.959 18154 10840 1 15 . 1 1 13 13 GLY C C 13 175.930 175.930 174.755 1.175 18154 10841 1 15 . 1 1 13 13 GLY CA C 13 46.000 46.000 45.158 0.842 18154 10842 1 15 . 1 1 13 13 GLY H H 13 8.500 8.500 8.283 0.217 18154 10843 1 15 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.154 0.076 18154 10844 1 15 . 1 1 17 17 LEU C C 17 179.210 179.210 178.619 0.591 18154 10845 1 15 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.731 0.669 18154 10846 1 15 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.292 0.008 18154 10847 1 15 . 1 1 18 18 VAL N N 18 117.231 117.231 117.821 -0.590 18154 10848 1 15 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.595 -0.272 18154 10849 1 15 . 1 1 18 18 VAL C C 18 178.460 178.460 178.014 0.446 18154 10850 1 15 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.007 0.859 18154 10851 1 15 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.582 0.878 18154 10852 1 15 . 1 1 18 18 VAL H H 18 7.645 7.645 7.639 0.006 18154 10853 1 15 . 1 1 19 19 ALA N N 19 121.820 121.820 121.160 0.660 18154 10854 1 15 . 1 1 19 19 ALA HA H 19 3.816 3.816 4.001 -0.185 18154 10855 1 15 . 1 1 19 19 ALA C C 19 178.180 178.180 179.542 -1.362 18154 10856 1 15 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.452 0.124 18154 10857 1 15 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.202 1.798 18154 10858 1 15 . 1 1 19 19 ALA H H 19 8.010 8.010 7.880 0.130 18154 10859 1 15 . 1 1 20 20 GLU N N 20 118.960 118.960 118.190 0.770 18154 10860 1 15 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.010 0.006 18154 10861 1 15 . 1 1 20 20 GLU C C 20 180.950 180.950 179.236 1.714 18154 10862 1 15 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.084 0.583 18154 10863 1 15 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.351 -0.051 18154 10864 1 15 . 1 1 20 20 GLU H H 20 8.700 8.700 7.898 0.802 18154 10865 1 15 . 1 1 21 21 GLU N N 21 121.371 121.371 119.796 1.575 18154 10866 1 15 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.067 -0.023 18154 10867 1 15 . 1 1 21 21 GLU C C 21 179.419 179.419 178.787 0.632 18154 10868 1 15 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.177 0.133 18154 10869 1 15 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.242 0.319 18154 10870 1 15 . 1 1 21 21 GLU H H 21 8.632 8.632 8.142 0.490 18154 10871 1 15 . 1 1 22 22 ALA N N 22 121.329 121.329 122.677 -1.348 18154 10872 1 15 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.061 -0.003 18154 10873 1 15 . 1 1 22 22 ALA C C 22 178.823 178.823 179.371 -0.548 18154 10874 1 15 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.736 -1.059 18154 10875 1 15 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.038 -0.395 18154 10876 1 15 . 1 1 22 22 ALA H H 22 8.182 8.182 8.636 -0.454 18154 10877 1 15 . 1 1 23 23 GLU N N 23 119.035 119.035 119.675 -0.640 18154 10878 1 15 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.030 -0.626 18154 10879 1 15 . 1 1 23 23 GLU C C 23 178.375 178.375 178.302 0.073 18154 10880 1 15 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.687 0.621 18154 10881 1 15 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.499 -0.569 18154 10882 1 15 . 1 1 23 23 GLU H H 23 8.387 8.387 8.017 0.370 18154 10883 1 15 . 1 1 24 24 ALA N N 24 122.207 122.207 122.069 0.138 18154 10884 1 15 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.090 -0.060 18154 10885 1 15 . 1 1 24 24 ALA C C 24 181.132 181.132 180.081 1.051 18154 10886 1 15 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.063 0.424 18154 10887 1 15 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.562 -0.562 18154 10888 1 15 . 1 1 24 24 ALA H H 24 7.535 7.535 8.020 -0.485 18154 10889 1 15 . 1 1 25 25 ILE N N 25 121.059 121.059 119.989 1.070 18154 10890 1 15 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.695 -0.031 18154 10891 1 15 . 1 1 25 25 ILE C C 25 178.419 178.419 177.862 0.557 18154 10892 1 15 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.032 -0.924 18154 10893 1 15 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.112 0.851 18154 10894 1 15 . 1 1 25 25 ILE H H 25 7.800 7.800 8.595 -0.795 18154 10895 1 15 . 1 1 26 26 LEU N N 26 119.307 119.307 120.814 -1.507 18154 10896 1 15 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.154 0.022 18154 10897 1 15 . 1 1 26 26 LEU C C 26 179.863 179.863 179.804 0.059 18154 10898 1 15 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.456 -0.510 18154 10899 1 15 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.471 -0.331 18154 10900 1 15 . 1 1 26 26 LEU H H 26 8.509 8.509 8.225 0.284 18154 10901 1 15 . 1 1 27 27 THR N N 27 117.830 117.830 115.524 2.306 18154 10902 1 15 . 1 1 27 27 THR HA H 27 4.524 4.524 4.341 0.183 18154 10903 1 15 . 1 1 27 27 THR C C 27 179.027 179.027 176.438 2.589 18154 10904 1 15 . 1 1 27 27 THR CA C 27 66.000 66.000 66.384 -0.384 18154 10905 1 15 . 1 1 27 27 THR CB C 27 68.600 68.600 68.849 -0.249 18154 10906 1 15 . 1 1 27 27 THR H H 27 8.796 8.796 8.718 0.078 18154 10907 1 15 . 1 1 28 28 ALA N N 28 126.313 126.313 122.801 3.512 18154 10908 1 15 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.163 0.042 18154 10909 1 15 . 1 1 28 28 ALA C C 28 179.360 179.360 179.393 -0.033 18154 10910 1 15 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.359 0.641 18154 10911 1 15 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.258 -0.608 18154 10912 1 15 . 1 1 28 28 ALA H H 28 7.832 7.832 7.876 -0.044 18154 10913 1 15 . 1 1 29 29 GLN N N 29 115.527 115.527 116.816 -1.289 18154 10914 1 15 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.059 0.068 18154 10915 1 15 . 1 1 29 29 GLN C C 29 176.547 176.547 177.059 -0.512 18154 10916 1 15 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.254 -0.691 18154 10917 1 15 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.528 -0.118 18154 10918 1 15 . 1 1 29 29 GLN H H 29 7.353 7.353 8.226 -0.873 18154 10919 1 15 . 1 1 30 30 GLY N N 30 105.961 105.961 104.094 1.867 18154 10920 1 15 . 1 1 30 30 GLY C C 30 174.785 174.785 174.122 0.663 18154 10921 1 15 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.561 -0.061 18154 10922 1 15 . 1 1 30 30 GLY H H 30 7.923 7.923 7.652 0.271 18154 10923 1 15 . 1 1 31 31 HIS N N 31 119.471 119.471 118.728 0.743 18154 10924 1 15 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.616 0.219 18154 10925 1 15 . 1 1 31 31 HIS C C 31 174.665 174.665 174.076 0.589 18154 10926 1 15 . 1 1 31 31 HIS CA C 31 55.842 55.842 55.477 0.365 18154 10927 1 15 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.399 0.601 18154 10928 1 15 . 1 1 31 31 HIS H H 31 7.558 7.558 8.062 -0.504 18154 10929 1 15 . 1 1 32 32 LYS N N 32 121.854 121.854 121.058 0.796 18154 10930 1 15 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.565 0.158 18154 10931 1 15 . 1 1 32 32 LYS C C 32 174.466 174.466 174.588 -0.122 18154 10932 1 15 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.363 0.502 18154 10933 1 15 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.169 0.791 18154 10934 1 15 . 1 1 32 32 LYS H H 32 8.665 8.665 8.697 -0.032 18154 10935 1 15 . 1 1 33 33 ALA N N 33 130.188 130.188 129.871 0.317 18154 10936 1 15 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.503 0.315 18154 10937 1 15 . 1 1 33 33 ALA C C 33 175.567 175.567 176.233 -0.666 18154 10938 1 15 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.514 -0.538 18154 10939 1 15 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.450 0.848 18154 10940 1 15 . 1 1 33 33 ALA H H 33 8.837 8.837 8.184 0.653 18154 10941 1 15 . 1 1 34 34 THR N N 34 117.164 117.164 116.793 0.371 18154 10942 1 15 . 1 1 34 34 THR HA H 34 4.359 4.359 4.555 -0.196 18154 10943 1 15 . 1 1 34 34 THR C C 34 171.315 171.315 172.562 -1.247 18154 10944 1 15 . 1 1 34 34 THR CA C 34 61.840 61.840 61.481 0.359 18154 10945 1 15 . 1 1 34 34 THR CB C 34 71.800 71.800 71.991 -0.191 18154 10946 1 15 . 1 1 34 34 THR H H 34 7.826 7.826 9.017 -1.191 18154 10947 1 15 . 1 1 35 35 VAL N N 35 126.650 126.650 125.243 1.407 18154 10948 1 15 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.779 -0.596 18154 10949 1 15 . 1 1 35 35 VAL C C 35 174.675 174.675 173.911 0.764 18154 10950 1 15 . 1 1 35 35 VAL CA C 35 61.928 61.928 59.821 2.107 18154 10951 1 15 . 1 1 35 35 VAL CB C 35 32.650 32.650 33.604 -0.954 18154 10952 1 15 . 1 1 35 35 VAL H H 35 8.496 8.496 8.331 0.165 18154 10953 1 15 . 1 1 36 36 PHE N N 36 127.630 127.630 125.987 1.643 18154 10954 1 15 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.692 -0.141 18154 10955 1 15 . 1 1 36 36 PHE C C 36 174.347 174.347 174.368 -0.021 18154 10956 1 15 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.365 1.117 18154 10957 1 15 . 1 1 36 36 PHE CB C 36 40.165 40.165 42.722 -2.557 18154 10958 1 15 . 1 1 36 36 PHE H H 36 9.164 9.164 8.966 0.198 18154 10959 1 15 . 1 1 37 37 GLU N N 37 123.516 123.516 120.942 2.574 18154 10960 1 15 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.583 -0.113 18154 10961 1 15 . 1 1 37 37 GLU C C 37 175.954 175.954 175.738 0.216 18154 10962 1 15 . 1 1 37 37 GLU CA C 37 55.719 55.719 55.332 0.387 18154 10963 1 15 . 1 1 37 37 GLU CB C 37 31.460 31.460 31.352 0.108 18154 10964 1 15 . 1 1 37 37 GLU H H 37 8.455 8.455 8.545 -0.090 18154 10965 1 15 . 1 1 38 38 ASP N N 38 120.395 120.395 121.865 -1.470 18154 10966 1 15 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.380 0.453 18154 10967 1 15 . 1 1 38 38 ASP C C 38 173.920 173.920 174.493 -0.573 18154 10968 1 15 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.248 0.229 18154 10969 1 15 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.450 0.154 18154 10970 1 15 . 1 1 38 38 ASP H H 38 9.602 9.602 8.735 0.867 18154 10971 1 15 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.504 0.176 18154 10972 1 15 . 1 1 39 39 PRO C C 39 176.274 176.274 176.334 -0.060 18154 10973 1 15 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.338 -0.354 18154 10974 1 15 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.000 1.400 18154 10975 1 15 . 1 1 40 40 GLU N N 40 119.026 119.026 120.415 -1.389 18154 10976 1 15 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.470 0.258 18154 10977 1 15 . 1 1 40 40 GLU C C 40 177.827 177.827 178.661 -0.834 18154 10978 1 15 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.405 -1.435 18154 10979 1 15 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.173 2.227 18154 10980 1 15 . 1 1 40 40 GLU H H 40 9.178 9.178 8.413 0.765 18154 10981 1 15 . 1 1 41 41 LEU N N 41 123.708 123.708 125.124 -1.416 18154 10982 1 15 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.221 -0.327 18154 10983 1 15 . 1 1 41 41 LEU C C 41 178.730 178.730 177.582 1.148 18154 10984 1 15 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.549 0.858 18154 10985 1 15 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.500 0.153 18154 10986 1 15 . 1 1 41 41 LEU H H 41 9.160 9.160 8.817 0.343 18154 10987 1 15 . 1 1 42 42 SER N N 42 110.500 110.500 114.427 -3.927 18154 10988 1 15 . 1 1 42 42 SER HA H 42 4.010 4.010 4.305 -0.295 18154 10989 1 15 . 1 1 42 42 SER C C 42 176.300 176.300 175.016 1.284 18154 10990 1 15 . 1 1 42 42 SER CA C 42 61.600 61.600 60.708 0.892 18154 10991 1 15 . 1 1 42 42 SER CB C 42 62.140 62.140 62.789 -0.649 18154 10992 1 15 . 1 1 42 42 SER H H 42 8.415 8.415 8.555 -0.140 18154 10993 1 15 . 1 1 43 43 ASP N N 43 119.770 119.770 120.671 -0.901 18154 10994 1 15 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.753 -0.296 18154 10995 1 15 . 1 1 43 43 ASP C C 43 176.150 176.150 176.236 -0.086 18154 10996 1 15 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.521 1.229 18154 10997 1 15 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.069 1.631 18154 10998 1 15 . 1 1 43 43 ASP H H 43 7.690 7.690 8.019 -0.329 18154 10999 1 15 . 1 1 44 44 TRP N N 44 118.500 118.500 121.324 -2.824 18154 11000 1 15 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.482 -0.272 18154 11001 1 15 . 1 1 44 44 TRP C C 44 177.150 177.150 177.481 -0.331 18154 11002 1 15 . 1 1 44 44 TRP CA C 44 59.387 59.387 59.192 0.195 18154 11003 1 15 . 1 1 44 44 TRP CB C 44 30.310 30.310 29.923 0.387 18154 11004 1 15 . 1 1 44 44 TRP H H 44 7.464 7.464 7.356 0.108 18154 11005 1 15 . 1 1 45 45 LEU N N 45 114.100 114.100 121.022 -6.922 18154 11006 1 15 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.055 0.120 18154 11007 1 15 . 1 1 45 45 LEU C C 45 176.300 176.300 175.648 0.652 18154 11008 1 15 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.281 -0.721 18154 11009 1 15 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.489 -0.269 18154 11010 1 15 . 1 1 45 45 LEU H H 45 7.550 7.550 8.481 -0.931 18154 11011 1 15 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.224 0.156 18154 11012 1 15 . 1 1 46 46 PRO C C 46 176.799 176.799 177.373 -0.574 18154 11013 1 15 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.792 0.495 18154 11014 1 15 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.188 0.412 18154 11015 1 15 . 1 1 47 47 TYR N N 47 113.790 113.790 115.945 -2.155 18154 11016 1 15 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.621 -0.501 18154 11017 1 15 . 1 1 47 47 TYR C C 47 175.730 175.730 178.087 -2.357 18154 11018 1 15 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.433 1.767 18154 11019 1 15 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.318 0.698 18154 11020 1 15 . 1 1 47 47 TYR H H 47 8.291 8.291 8.265 0.026 18154 11021 1 15 . 1 1 48 48 GLN N N 48 116.524 116.524 120.288 -3.764 18154 11022 1 15 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.977 -0.092 18154 11023 1 15 . 1 1 48 48 GLN C C 48 174.381 174.381 176.140 -1.759 18154 11024 1 15 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.705 0.121 18154 11025 1 15 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.753 2.247 18154 11026 1 15 . 1 1 48 48 GLN H H 48 7.300 7.300 7.465 -0.165 18154 11027 1 15 . 1 1 49 49 ASP N N 49 114.657 114.657 114.166 0.491 18154 11028 1 15 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.669 0.018 18154 11029 1 15 . 1 1 49 49 ASP C C 49 176.307 176.307 176.107 0.200 18154 11030 1 15 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.584 -1.849 18154 11031 1 15 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.373 -1.173 18154 11032 1 15 . 1 1 49 49 ASP H H 49 7.854 7.854 8.524 -0.670 18154 11033 1 15 . 1 1 50 50 LYS N N 50 123.514 123.514 118.250 5.264 18154 11034 1 15 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.709 -0.119 18154 11035 1 15 . 1 1 50 50 LYS C C 50 172.964 172.964 175.617 -2.653 18154 11036 1 15 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.473 -0.780 18154 11037 1 15 . 1 1 50 50 LYS CB C 50 33.355 33.355 34.636 -1.281 18154 11038 1 15 . 1 1 50 50 LYS H H 50 7.833 7.833 7.374 0.459 18154 11039 1 15 . 1 1 51 51 TYR N N 51 118.375 118.375 115.353 3.022 18154 11040 1 15 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.727 0.328 18154 11041 1 15 . 1 1 51 51 TYR C C 51 175.875 175.875 175.994 -0.119 18154 11042 1 15 . 1 1 51 51 TYR CA C 51 56.421 56.421 56.482 -0.061 18154 11043 1 15 . 1 1 51 51 TYR CB C 51 42.477 42.477 42.506 -0.029 18154 11044 1 15 . 1 1 51 51 TYR H H 51 7.745 7.745 8.598 -0.853 18154 11045 1 15 . 1 1 52 52 VAL N N 52 112.527 112.527 114.917 -2.390 18154 11046 1 15 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.978 0.522 18154 11047 1 15 . 1 1 52 52 VAL C C 52 173.910 173.910 173.955 -0.045 18154 11048 1 15 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.367 -1.671 18154 11049 1 15 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.339 1.153 18154 11050 1 15 . 1 1 52 52 VAL H H 52 8.673 8.673 8.346 0.327 18154 11051 1 15 . 1 1 53 53 LEU N N 53 124.294 124.294 124.446 -0.152 18154 11052 1 15 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.236 -0.336 18154 11053 1 15 . 1 1 53 53 LEU C C 53 175.070 175.070 174.568 0.502 18154 11054 1 15 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.470 -0.904 18154 11055 1 15 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.633 -1.403 18154 11056 1 15 . 1 1 53 53 LEU H H 53 9.137 9.137 9.047 0.090 18154 11057 1 15 . 1 1 54 54 VAL N N 54 127.850 127.850 125.884 1.966 18154 11058 1 15 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.679 -0.169 18154 11059 1 15 . 1 1 54 54 VAL C C 54 174.030 174.030 174.461 -0.431 18154 11060 1 15 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.124 0.701 18154 11061 1 15 . 1 1 54 54 VAL CB C 54 32.691 32.691 32.898 -0.207 18154 11062 1 15 . 1 1 54 54 VAL H H 54 8.619 8.619 8.922 -0.303 18154 11063 1 15 . 1 1 55 55 VAL N N 55 127.181 127.181 127.843 -0.662 18154 11064 1 15 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.945 0.140 18154 11065 1 15 . 1 1 55 55 VAL C C 55 174.942 174.942 174.572 0.370 18154 11066 1 15 . 1 1 55 55 VAL CA C 55 60.069 60.069 61.101 -1.032 18154 11067 1 15 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.810 -0.588 18154 11068 1 15 . 1 1 55 55 VAL H H 55 8.578 8.578 8.924 -0.346 18154 11069 1 15 . 1 1 56 56 THR N N 56 117.420 117.420 122.311 -4.891 18154 11070 1 15 . 1 1 56 56 THR HA H 56 5.590 5.590 4.946 0.644 18154 11071 1 15 . 1 1 56 56 THR C C 56 172.640 172.640 172.571 0.069 18154 11072 1 15 . 1 1 56 56 THR CA C 56 59.359 59.359 60.936 -1.577 18154 11073 1 15 . 1 1 56 56 THR CB C 56 70.715 70.715 70.504 0.211 18154 11074 1 15 . 1 1 56 56 THR H H 56 8.710 8.710 8.872 -0.162 18154 11075 1 15 . 1 1 57 57 SER HA H 57 5.250 5.250 5.010 0.240 18154 11076 1 15 . 1 1 57 57 SER CA C 57 57.730 57.730 57.183 0.547 18154 11077 1 15 . 1 1 57 57 SER CB C 57 64.500 64.500 65.563 -1.063 18154 11078 1 15 . 1 1 57 57 SER H H 57 8.075 8.075 8.403 -0.328 18154 11079 1 15 . 1 1 58 58 THR H H 58 7.900 7.900 8.718 -0.818 18154 11080 1 15 . 1 1 59 59 THR HA H 59 4.900 4.900 4.033 0.867 18154 11081 1 15 . 1 1 59 59 THR CA C 59 61.200 61.200 64.294 -3.094 18154 11082 1 15 . 1 1 59 59 THR CB C 59 73.400 73.400 69.266 4.134 18154 11083 1 15 . 1 1 59 59 THR H H 59 9.230 9.230 7.721 1.509 18154 11084 1 15 . 1 1 60 60 GLY CA C 60 46.500 46.500 44.501 1.999 18154 11085 1 15 . 1 1 61 61 GLN HA H 61 4.406 4.406 3.898 0.508 18154 11086 1 15 . 1 1 61 61 GLN C C 61 175.950 175.950 175.964 -0.014 18154 11087 1 15 . 1 1 61 61 GLN CA C 61 55.350 55.350 56.823 -1.473 18154 11088 1 15 . 1 1 61 61 GLN CB C 61 29.160 29.160 26.454 2.705 18154 11089 1 15 . 1 1 62 62 GLY N N 62 108.420 108.420 103.667 4.753 18154 11090 1 15 . 1 1 62 62 GLY C C 62 173.134 173.134 173.738 -0.604 18154 11091 1 15 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.827 0.957 18154 11092 1 15 . 1 1 62 62 GLY H H 62 8.073 8.073 8.591 -0.518 18154 11093 1 15 . 1 1 63 63 ASP N N 63 118.400 118.400 120.367 -1.967 18154 11094 1 15 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.713 0.067 18154 11095 1 15 . 1 1 63 63 ASP CA C 63 53.296 53.296 53.251 0.045 18154 11096 1 15 . 1 1 63 63 ASP CB C 63 42.740 42.740 42.210 0.530 18154 11097 1 15 . 1 1 63 63 ASP H H 63 7.248 7.248 7.916 -0.668 18154 11098 1 15 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.474 -0.074 18154 11099 1 15 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.803 1.347 18154 11100 1 15 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.957 -1.270 18154 11101 1 15 . 1 1 64 64 LEU H H 64 8.445 8.445 8.025 0.420 18154 11102 1 15 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.471 -0.178 18154 11103 1 15 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.229 0.115 18154 11104 1 15 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.669 -0.189 18154 11105 1 15 . 1 1 66 66 ASP N N 66 121.200 121.200 121.203 -0.003 18154 11106 1 15 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.324 -0.064 18154 11107 1 15 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.314 1.316 18154 11108 1 15 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.865 -0.066 18154 11109 1 15 . 1 1 66 66 ASP H H 66 8.605 8.605 8.685 -0.080 18154 11110 1 15 . 1 1 67 67 SER HA H 67 4.292 4.292 4.199 0.093 18154 11111 1 15 . 1 1 67 67 SER C C 67 175.650 175.650 175.056 0.594 18154 11112 1 15 . 1 1 67 67 SER CA C 67 60.500 60.500 60.567 -0.067 18154 11113 1 15 . 1 1 67 67 SER CB C 67 63.530 63.530 63.530 -0.000 18154 11114 1 15 . 1 1 68 68 ILE N N 68 120.550 120.550 119.974 0.576 18154 11115 1 15 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.421 0.689 18154 11116 1 15 . 1 1 68 68 ILE C C 68 174.713 174.713 176.705 -1.992 18154 11117 1 15 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.379 0.021 18154 11118 1 15 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.534 3.706 18154 11119 1 15 . 1 1 68 68 ILE H H 68 7.870 7.870 7.692 0.178 18154 11120 1 15 . 1 1 69 69 VAL N N 69 125.740 125.740 123.578 2.162 18154 11121 1 15 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.727 0.018 18154 11122 1 15 . 1 1 69 69 VAL C C 69 174.500 174.500 175.051 -0.551 18154 11123 1 15 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.174 -0.624 18154 11124 1 15 . 1 1 69 69 VAL CB C 69 30.130 30.130 28.726 1.404 18154 11125 1 15 . 1 1 69 69 VAL H H 69 7.428 7.428 8.145 -0.717 18154 11126 1 15 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.344 -0.052 18154 11127 1 15 . 1 1 70 70 PRO C C 70 180.820 180.820 178.773 2.047 18154 11128 1 15 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.049 0.421 18154 11129 1 15 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.234 -0.577 18154 11130 1 15 . 1 1 71 71 LEU N N 71 119.467 119.467 119.830 -0.363 18154 11131 1 15 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.011 -0.166 18154 11132 1 15 . 1 1 71 71 LEU C C 71 176.489 176.489 178.375 -1.886 18154 11133 1 15 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.795 0.412 18154 11134 1 15 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.769 -0.283 18154 11135 1 15 . 1 1 71 71 LEU H H 71 7.918 7.918 7.559 0.359 18154 11136 1 15 . 1 1 72 72 PHE N N 72 119.361 119.361 119.466 -0.105 18154 11137 1 15 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.325 -0.180 18154 11138 1 15 . 1 1 72 72 PHE C C 72 175.968 175.968 177.058 -1.090 18154 11139 1 15 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.710 0.111 18154 11140 1 15 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.659 0.888 18154 11141 1 15 . 1 1 72 72 PHE H H 72 7.903 7.903 8.736 -0.833 18154 11142 1 15 . 1 1 73 73 GLN N N 73 116.100 116.100 116.792 -0.692 18154 11143 1 15 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.728 -0.201 18154 11144 1 15 . 1 1 73 73 GLN C C 73 177.871 177.871 178.516 -0.645 18154 11145 1 15 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.923 -0.784 18154 11146 1 15 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.454 -0.307 18154 11147 1 15 . 1 1 73 73 GLN H H 73 9.042 9.042 8.557 0.485 18154 11148 1 15 . 1 1 74 74 GLY N N 74 107.110 107.110 108.541 -1.431 18154 11149 1 15 . 1 1 74 74 GLY C C 74 175.894 175.894 176.130 -0.236 18154 11150 1 15 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.929 0.351 18154 11151 1 15 . 1 1 74 74 GLY H H 74 8.045 8.045 8.159 -0.114 18154 11152 1 15 . 1 1 75 75 ILE N N 75 123.629 123.629 122.701 0.928 18154 11153 1 15 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.321 -0.272 18154 11154 1 15 . 1 1 75 75 ILE C C 75 178.622 178.622 177.081 1.541 18154 11155 1 15 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.841 0.416 18154 11156 1 15 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.397 0.571 18154 11157 1 15 . 1 1 75 75 ILE H H 75 8.174 8.174 8.096 0.078 18154 11158 1 15 . 1 1 76 76 LYS N N 76 119.363 119.363 118.496 0.867 18154 11159 1 15 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.746 -0.441 18154 11160 1 15 . 1 1 76 76 LYS C C 76 177.909 177.909 178.242 -0.333 18154 11161 1 15 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.261 0.445 18154 11162 1 15 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.895 0.455 18154 11163 1 15 . 1 1 76 76 LYS H H 76 7.600 7.600 7.336 0.264 18154 11164 1 15 . 1 1 77 77 ASP N N 77 115.190 115.190 117.987 -2.797 18154 11165 1 15 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.543 -0.061 18154 11166 1 15 . 1 1 77 77 ASP C C 77 178.825 178.825 178.218 0.607 18154 11167 1 15 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.165 0.115 18154 11168 1 15 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.801 -0.611 18154 11169 1 15 . 1 1 77 77 ASP H H 77 8.482 8.482 8.279 0.203 18154 11170 1 15 . 1 1 78 78 SER N N 78 112.576 112.576 116.018 -3.442 18154 11171 1 15 . 1 1 78 78 SER HA H 78 4.728 4.728 4.396 0.332 18154 11172 1 15 . 1 1 78 78 SER C C 78 174.556 174.556 174.906 -0.350 18154 11173 1 15 . 1 1 78 78 SER CA C 78 60.045 60.045 60.428 -0.383 18154 11174 1 15 . 1 1 78 78 SER CB C 78 64.643 64.643 63.944 0.699 18154 11175 1 15 . 1 1 78 78 SER H H 78 8.273 8.273 7.994 0.279 18154 11176 1 15 . 1 1 79 79 LEU N N 79 120.833 120.833 121.194 -0.361 18154 11177 1 15 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.381 0.434 18154 11178 1 15 . 1 1 79 79 LEU C C 79 176.251 176.251 178.798 -2.547 18154 11179 1 15 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.403 -2.443 18154 11180 1 15 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.202 -3.006 18154 11181 1 15 . 1 1 79 79 LEU H H 79 7.025 7.025 7.603 -0.578 18154 11182 1 15 . 1 1 80 80 GLY N N 80 108.861 108.861 106.743 2.118 18154 11183 1 15 . 1 1 80 80 GLY C C 80 173.623 173.623 173.544 0.079 18154 11184 1 15 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.421 -0.192 18154 11185 1 15 . 1 1 80 80 GLY H H 80 7.499 7.499 8.094 -0.595 18154 11186 1 15 . 1 1 81 81 PHE N N 81 121.441 121.441 119.822 1.619 18154 11187 1 15 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.714 0.346 18154 11188 1 15 . 1 1 81 81 PHE C C 81 174.411 174.411 172.501 1.910 18154 11189 1 15 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.024 0.187 18154 11190 1 15 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.935 -1.315 18154 11191 1 15 . 1 1 81 81 PHE H H 81 8.018 8.018 7.496 0.522 18154 11192 1 15 . 1 1 82 82 GLN N N 82 126.480 126.480 122.081 4.399 18154 11193 1 15 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.730 0.160 18154 11194 1 15 . 1 1 82 82 GLN C C 82 172.700 172.700 173.798 -1.098 18154 11195 1 15 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.029 2.148 18154 11196 1 15 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.485 2.115 18154 11197 1 15 . 1 1 82 82 GLN H H 82 9.588 9.588 7.645 1.943 18154 11198 1 15 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.184 0.189 18154 11199 1 15 . 1 1 83 83 PRO C C 83 178.163 178.163 176.626 1.537 18154 11200 1 15 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.716 -1.024 18154 11201 1 15 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.303 -0.438 18154 11202 1 15 . 1 1 84 84 ASN N N 84 116.900 116.900 114.236 2.664 18154 11203 1 15 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.817 -0.048 18154 11204 1 15 . 1 1 84 84 ASN C C 84 173.332 173.332 173.455 -0.123 18154 11205 1 15 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.632 -0.072 18154 11206 1 15 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.240 -0.980 18154 11207 1 15 . 1 1 84 84 ASN H H 84 8.578 8.578 7.944 0.634 18154 11208 1 15 . 1 1 85 85 LEU N N 85 124.380 124.380 122.475 1.905 18154 11209 1 15 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.209 -0.163 18154 11210 1 15 . 1 1 85 85 LEU C C 85 175.880 175.880 175.699 0.181 18154 11211 1 15 . 1 1 85 85 LEU CA C 85 55.842 55.842 55.073 0.769 18154 11212 1 15 . 1 1 85 85 LEU CB C 85 42.300 42.300 42.968 -0.668 18154 11213 1 15 . 1 1 85 85 LEU H H 85 7.240 7.240 7.624 -0.384 18154 11214 1 15 . 1 1 86 86 ARG N N 86 128.715 128.715 124.252 4.463 18154 11215 1 15 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.734 0.060 18154 11216 1 15 . 1 1 86 86 ARG C C 86 175.554 175.554 175.709 -0.155 18154 11217 1 15 . 1 1 86 86 ARG CA C 86 54.442 54.442 52.879 1.563 18154 11218 1 15 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.262 -0.389 18154 11219 1 15 . 1 1 86 86 ARG H H 86 7.732 7.732 7.780 -0.048 18154 11220 1 15 . 1 1 87 87 TYR N N 87 117.420 117.420 117.433 -0.013 18154 11221 1 15 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.845 0.920 18154 11222 1 15 . 1 1 87 87 TYR C C 87 172.931 172.931 173.601 -0.670 18154 11223 1 15 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.252 -0.991 18154 11224 1 15 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.584 3.354 18154 11225 1 15 . 1 1 87 87 TYR H H 87 8.783 8.783 7.965 0.818 18154 11226 1 15 . 1 1 88 88 GLY N N 88 107.765 107.765 105.273 2.492 18154 11227 1 15 . 1 1 88 88 GLY C C 88 172.621 172.621 171.770 0.851 18154 11228 1 15 . 1 1 88 88 GLY CA C 88 43.861 43.861 43.669 0.192 18154 11229 1 15 . 1 1 88 88 GLY H H 88 8.905 8.905 8.659 0.246 18154 11230 1 15 . 1 1 89 89 VAL N N 89 118.180 118.180 118.667 -0.487 18154 11231 1 15 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.807 0.194 18154 11232 1 15 . 1 1 89 89 VAL C C 89 172.939 172.939 173.878 -0.939 18154 11233 1 15 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.774 0.225 18154 11234 1 15 . 1 1 89 89 VAL CB C 89 36.398 36.398 36.181 0.216 18154 11235 1 15 . 1 1 89 89 VAL H H 89 7.499 7.499 8.397 -0.898 18154 11236 1 15 . 1 1 90 90 ILE N N 90 125.000 125.000 125.250 -0.250 18154 11237 1 15 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.032 0.095 18154 11238 1 15 . 1 1 90 90 ILE C C 90 173.099 173.099 173.603 -0.504 18154 11239 1 15 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.921 0.567 18154 11240 1 15 . 1 1 90 90 ILE CB C 90 40.398 40.398 39.767 0.631 18154 11241 1 15 . 1 1 90 90 ILE H H 90 8.810 8.810 8.883 -0.073 18154 11242 1 15 . 1 1 91 91 ALA N N 91 129.036 129.036 129.829 -0.793 18154 11243 1 15 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.413 -0.087 18154 11244 1 15 . 1 1 91 91 ALA C C 91 174.000 174.000 175.822 -1.822 18154 11245 1 15 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.710 -0.710 18154 11246 1 15 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.143 0.957 18154 11247 1 15 . 1 1 91 91 ALA H H 91 9.253 9.253 8.869 0.384 18154 11248 1 15 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.027 -0.096 18154 11249 1 15 . 1 1 92 92 LEU C C 92 177.366 177.366 176.780 0.586 18154 11250 1 15 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.271 0.646 18154 11251 1 15 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.511 -3.111 18154 11252 1 15 . 1 1 93 93 GLY N N 93 110.663 110.663 107.941 2.722 18154 11253 1 15 . 1 1 93 93 GLY C C 93 172.029 172.029 171.746 0.283 18154 11254 1 15 . 1 1 93 93 GLY CA C 93 45.730 45.730 46.027 -0.297 18154 11255 1 15 . 1 1 93 93 GLY H H 93 8.687 8.687 8.659 0.028 18154 11256 1 15 . 1 1 94 94 ASP N N 94 119.304 119.304 120.779 -1.475 18154 11257 1 15 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.588 -0.328 18154 11258 1 15 . 1 1 94 94 ASP C C 94 176.978 176.978 177.128 -0.150 18154 11259 1 15 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.674 0.933 18154 11260 1 15 . 1 1 94 94 ASP CB C 94 43.000 43.000 43.508 -0.508 18154 11261 1 15 . 1 1 94 94 ASP H H 94 8.129 8.129 8.534 -0.405 18154 11262 1 15 . 1 1 95 95 SER N N 95 123.897 123.897 121.660 2.237 18154 11263 1 15 . 1 1 95 95 SER HA H 95 3.895 3.895 4.432 -0.537 18154 11264 1 15 . 1 1 95 95 SER C C 95 175.243 175.243 175.684 -0.441 18154 11265 1 15 . 1 1 95 95 SER CA C 95 60.183 60.183 60.691 -0.508 18154 11266 1 15 . 1 1 95 95 SER CB C 95 61.700 61.700 63.198 -1.498 18154 11267 1 15 . 1 1 95 95 SER H H 95 8.878 8.878 9.559 -0.681 18154 11268 1 15 . 1 1 96 96 SER N N 96 119.248 119.248 116.888 2.360 18154 11269 1 15 . 1 1 96 96 SER HA H 96 4.209 4.209 4.219 -0.010 18154 11270 1 15 . 1 1 96 96 SER C C 96 173.900 173.900 174.840 -0.940 18154 11271 1 15 . 1 1 96 96 SER CA C 96 60.197 60.197 60.224 -0.027 18154 11272 1 15 . 1 1 96 96 SER CB C 96 63.000 63.000 63.414 -0.414 18154 11273 1 15 . 1 1 96 96 SER H H 96 9.124 9.124 8.550 0.574 18154 11274 1 15 . 1 1 97 97 TYR N N 97 120.889 120.889 121.643 -0.754 18154 11275 1 15 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.545 0.343 18154 11276 1 15 . 1 1 97 97 TYR C C 97 175.972 175.972 176.051 -0.079 18154 11277 1 15 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.584 -2.834 18154 11278 1 15 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.010 0.810 18154 11279 1 15 . 1 1 97 97 TYR H H 97 7.664 7.664 7.808 -0.144 18154 11280 1 15 . 1 1 98 98 VAL N N 98 116.952 116.952 118.821 -1.869 18154 11281 1 15 . 1 1 98 98 VAL HA H 98 4.060 4.060 4.112 -0.052 18154 11282 1 15 . 1 1 98 98 VAL C C 98 175.969 175.969 176.713 -0.744 18154 11283 1 15 . 1 1 98 98 VAL CA C 98 62.840 62.840 61.867 0.973 18154 11284 1 15 . 1 1 98 98 VAL CB C 98 32.600 32.600 32.911 -0.311 18154 11285 1 15 . 1 1 98 98 VAL H H 98 7.970 7.970 8.547 -0.577 18154 11286 1 15 . 1 1 99 99 ASN N N 99 118.156 118.156 116.083 2.073 18154 11287 1 15 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.394 0.117 18154 11288 1 15 . 1 1 99 99 ASN C C 99 174.329 174.329 176.125 -1.796 18154 11289 1 15 . 1 1 99 99 ASN CA C 99 53.031 53.031 54.391 -1.360 18154 11290 1 15 . 1 1 99 99 ASN CB C 99 37.238 37.238 36.692 0.546 18154 11291 1 15 . 1 1 99 99 ASN H H 99 8.296 8.296 8.755 -0.459 18154 11292 1 15 . 1 1 100 100 PHE N N 100 118.649 118.649 119.039 -0.390 18154 11293 1 15 . 1 1 100 100 PHE HA H 100 4.415 4.415 3.992 0.423 18154 11294 1 15 . 1 1 100 100 PHE C C 100 174.400 174.400 175.562 -1.162 18154 11295 1 15 . 1 1 100 100 PHE CA C 100 58.190 58.190 61.370 -3.180 18154 11296 1 15 . 1 1 100 100 PHE CB C 100 39.679 39.679 38.147 1.532 18154 11297 1 15 . 1 1 100 100 PHE H H 100 7.855 7.855 8.506 -0.651 18154 11298 1 15 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.235 -0.650 18154 11299 1 15 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.793 4.947 18154 11300 1 15 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.174 -1.174 18154 11301 1 15 . 1 1 101 101 CYS H H 101 9.240 9.240 8.063 1.177 18154 11302 1 15 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.390 -0.170 18154 11303 1 15 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.730 0.470 18154 11304 1 15 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.700 -0.100 18154 11305 1 15 . 1 1 102 102 ASN H H 102 8.300 8.300 8.696 -0.396 18154 11306 1 15 . 1 1 103 103 GLY C C 103 175.690 175.690 175.719 -0.029 18154 11307 1 15 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.003 0.347 18154 11308 1 15 . 1 1 104 104 GLY N N 104 106.150 106.150 109.841 -3.691 18154 11309 1 15 . 1 1 104 104 GLY C C 104 174.570 174.570 176.219 -1.649 18154 11310 1 15 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.357 0.993 18154 11311 1 15 . 1 1 104 104 GLY H H 104 7.108 7.108 7.649 -0.541 18154 11312 1 15 . 1 1 105 105 LYS N N 105 120.732 120.732 122.310 -1.578 18154 11313 1 15 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.981 -0.044 18154 11314 1 15 . 1 1 105 105 LYS C C 105 179.706 179.706 179.180 0.526 18154 11315 1 15 . 1 1 105 105 LYS CA C 105 60.308 60.308 59.960 0.348 18154 11316 1 15 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.269 -0.471 18154 11317 1 15 . 1 1 105 105 LYS H H 105 7.708 7.708 7.812 -0.104 18154 11318 1 15 . 1 1 106 106 GLN N N 106 119.087 119.087 118.049 1.038 18154 11319 1 15 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.174 -0.032 18154 11320 1 15 . 1 1 106 106 GLN C C 106 179.418 179.418 178.420 0.998 18154 11321 1 15 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.297 0.578 18154 11322 1 15 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.105 0.654 18154 11323 1 15 . 1 1 106 106 GLN H H 106 8.738 8.738 8.578 0.160 18154 11324 1 15 . 1 1 107 107 PHE N N 107 123.088 123.088 120.699 2.389 18154 11325 1 15 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.373 -0.123 18154 11326 1 15 . 1 1 107 107 PHE C C 107 178.403 178.403 177.690 0.713 18154 11327 1 15 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.906 0.279 18154 11328 1 15 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.990 0.461 18154 11329 1 15 . 1 1 107 107 PHE H H 107 7.922 7.922 7.976 -0.054 18154 11330 1 15 . 1 1 108 108 ASP N N 108 117.118 117.118 120.334 -3.216 18154 11331 1 15 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.473 -0.099 18154 11332 1 15 . 1 1 108 108 ASP C C 108 176.973 176.973 178.331 -1.358 18154 11333 1 15 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.771 0.658 18154 11334 1 15 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.073 3.050 18154 11335 1 15 . 1 1 108 108 ASP H H 108 8.305 8.305 8.212 0.093 18154 11336 1 15 . 1 1 109 109 ALA N N 109 118.590 118.590 122.087 -3.497 18154 11337 1 15 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.061 -0.011 18154 11338 1 15 . 1 1 109 109 ALA C C 109 180.430 180.430 179.329 1.101 18154 11339 1 15 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.099 0.097 18154 11340 1 15 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.627 -0.520 18154 11341 1 15 . 1 1 109 109 ALA H H 109 8.332 8.332 8.281 0.051 18154 11342 1 15 . 1 1 110 110 LEU N N 110 120.402 120.402 119.987 0.415 18154 11343 1 15 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.998 0.087 18154 11344 1 15 . 1 1 110 110 LEU C C 110 177.801 177.801 178.751 -0.950 18154 11345 1 15 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.773 -0.133 18154 11346 1 15 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.720 1.036 18154 11347 1 15 . 1 1 110 110 LEU H H 110 7.868 7.868 7.954 -0.086 18154 11348 1 15 . 1 1 111 111 LEU N N 111 116.945 116.945 116.598 0.347 18154 11349 1 15 . 1 1 111 111 LEU HA H 111 3.718 3.718 4.049 -0.331 18154 11350 1 15 . 1 1 111 111 LEU C C 111 179.838 179.838 179.715 0.123 18154 11351 1 15 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.052 0.913 18154 11352 1 15 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.290 -2.430 18154 11353 1 15 . 1 1 111 111 LEU H H 111 7.704 7.704 7.180 0.524 18154 11354 1 15 . 1 1 112 112 GLN N N 112 118.484 118.484 117.063 1.421 18154 11355 1 15 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.136 0.005 18154 11356 1 15 . 1 1 112 112 GLN C C 112 181.218 181.218 178.203 3.015 18154 11357 1 15 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.751 1.216 18154 11358 1 15 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.283 0.977 18154 11359 1 15 . 1 1 112 112 GLN H H 112 8.441 8.441 8.106 0.335 18154 11360 1 15 . 1 1 113 113 GLU N N 113 122.905 122.905 117.120 5.785 18154 11361 1 15 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.128 0.053 18154 11362 1 15 . 1 1 113 113 GLU C C 113 178.001 178.001 177.568 0.433 18154 11363 1 15 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.905 1.080 18154 11364 1 15 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.411 -0.141 18154 11365 1 15 . 1 1 113 113 GLU H H 113 8.305 8.305 7.866 0.439 18154 11366 1 15 . 1 1 114 114 GLN N N 114 117.332 117.332 118.876 -1.544 18154 11367 1 15 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.303 0.292 18154 11368 1 15 . 1 1 114 114 GLN C C 114 174.538 174.538 177.047 -2.509 18154 11369 1 15 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.731 -1.315 18154 11370 1 15 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.505 -4.675 18154 11371 1 15 . 1 1 114 114 GLN H H 114 7.520 7.520 7.609 -0.089 18154 11372 1 15 . 1 1 115 115 SER N N 115 109.100 109.100 110.184 -1.084 18154 11373 1 15 . 1 1 115 115 SER HA H 115 4.200 4.200 4.493 -0.293 18154 11374 1 15 . 1 1 115 115 SER C C 115 172.302 172.302 174.094 -1.792 18154 11375 1 15 . 1 1 115 115 SER CA C 115 60.400 60.400 58.406 1.994 18154 11376 1 15 . 1 1 115 115 SER CB C 115 61.325 61.325 64.653 -3.328 18154 11377 1 15 . 1 1 115 115 SER H H 115 7.950 7.950 7.807 0.143 18154 11378 1 15 . 1 1 116 116 ALA N N 116 121.059 121.059 125.761 -4.702 18154 11379 1 15 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.254 0.540 18154 11380 1 15 . 1 1 116 116 ALA C C 116 176.774 176.774 176.314 0.460 18154 11381 1 15 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.717 -1.027 18154 11382 1 15 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.469 0.896 18154 11383 1 15 . 1 1 116 116 ALA H H 116 7.813 7.813 7.602 0.211 18154 11384 1 15 . 1 1 117 117 GLN N N 117 118.000 118.000 118.919 -0.919 18154 11385 1 15 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.743 -0.125 18154 11386 1 15 . 1 1 117 117 GLN C C 117 173.769 173.769 174.871 -1.102 18154 11387 1 15 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.710 -0.154 18154 11388 1 15 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.999 -1.264 18154 11389 1 15 . 1 1 117 117 GLN H H 117 8.591 8.591 8.392 0.199 18154 11390 1 15 . 1 1 118 118 ARG N N 118 127.947 127.947 124.927 3.020 18154 11391 1 15 . 1 1 118 118 ARG HA H 118 3.308 3.308 3.219 0.089 18154 11392 1 15 . 1 1 118 118 ARG C C 118 176.758 176.758 175.308 1.450 18154 11393 1 15 . 1 1 118 118 ARG CA C 118 56.186 56.186 56.243 -0.057 18154 11394 1 15 . 1 1 118 118 ARG CB C 118 30.310 30.310 31.224 -0.914 18154 11395 1 15 . 1 1 118 118 ARG H H 118 8.659 8.659 8.787 -0.128 18154 11396 1 15 . 1 1 119 119 VAL N N 119 131.939 131.939 123.101 8.838 18154 11397 1 15 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.315 -0.202 18154 11398 1 15 . 1 1 119 119 VAL C C 119 176.775 176.775 176.503 0.272 18154 11399 1 15 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.775 0.399 18154 11400 1 15 . 1 1 119 119 VAL CB C 119 32.394 32.394 32.679 -0.285 18154 11401 1 15 . 1 1 119 119 VAL H H 119 9.520 9.520 8.233 1.287 18154 11402 1 15 . 1 1 120 120 GLY N N 120 116.074 116.074 116.646 -0.572 18154 11403 1 15 . 1 1 120 120 GLY C C 120 172.757 172.757 173.567 -0.810 18154 11404 1 15 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.641 -1.743 18154 11405 1 15 . 1 1 120 120 GLY H H 120 8.755 8.755 8.467 0.288 18154 11406 1 15 . 1 1 121 121 GLU N N 121 118.754 118.754 121.200 -2.446 18154 11407 1 15 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.843 -0.177 18154 11408 1 15 . 1 1 121 121 GLU C C 121 177.419 177.419 176.840 0.579 18154 11409 1 15 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.803 -0.312 18154 11410 1 15 . 1 1 121 121 GLU CB C 121 31.498 31.498 31.359 0.139 18154 11411 1 15 . 1 1 121 121 GLU H H 121 8.594 8.594 8.472 0.122 18154 11412 1 15 . 1 1 122 122 MET N N 122 122.642 122.642 121.755 0.887 18154 11413 1 15 . 1 1 122 122 MET HA H 122 4.415 4.415 4.969 -0.554 18154 11414 1 15 . 1 1 122 122 MET C C 122 175.351 175.351 175.000 0.351 18154 11415 1 15 . 1 1 122 122 MET CA C 122 57.024 57.024 54.980 2.044 18154 11416 1 15 . 1 1 122 122 MET CB C 122 34.210 34.210 33.356 0.854 18154 11417 1 15 . 1 1 122 122 MET H H 122 8.892 8.892 8.593 0.299 18154 11418 1 15 . 1 1 123 123 LEU N N 123 129.535 129.535 122.111 7.424 18154 11419 1 15 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.450 -0.100 18154 11420 1 15 . 1 1 123 123 LEU C C 123 173.124 173.124 174.340 -1.216 18154 11421 1 15 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.222 0.517 18154 11422 1 15 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.517 -1.439 18154 11423 1 15 . 1 1 123 123 LEU H H 123 7.868 7.868 7.438 0.430 18154 11424 1 15 . 1 1 124 124 LEU N N 124 127.120 127.120 125.890 1.230 18154 11425 1 15 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.809 0.246 18154 11426 1 15 . 1 1 124 124 LEU C C 124 176.379 176.379 176.161 0.218 18154 11427 1 15 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.143 0.407 18154 11428 1 15 . 1 1 124 124 LEU CB C 124 41.378 41.378 43.115 -1.737 18154 11429 1 15 . 1 1 124 124 LEU H H 124 8.346 8.346 8.226 0.120 18154 11430 1 15 . 1 1 125 125 ILE N N 125 124.337 124.337 124.615 -0.278 18154 11431 1 15 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.244 -0.064 18154 11432 1 15 . 1 1 125 125 ILE C C 125 174.303 174.303 174.727 -0.424 18154 11433 1 15 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.746 0.354 18154 11434 1 15 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.864 -0.921 18154 11435 1 15 . 1 1 125 125 ILE H H 125 8.974 8.974 8.324 0.650 18154 11436 1 15 . 1 1 126 126 ASP N N 126 127.113 127.113 127.912 -0.799 18154 11437 1 15 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.440 -0.325 18154 11438 1 15 . 1 1 126 126 ASP C C 126 176.766 176.766 176.363 0.403 18154 11439 1 15 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.408 -0.561 18154 11440 1 15 . 1 1 126 126 ASP CB C 126 41.100 41.100 41.864 -0.764 18154 11441 1 15 . 1 1 126 126 ASP H H 126 9.397 9.397 8.826 0.571 18154 11442 1 15 . 1 1 127 127 ALA N N 127 131.178 131.178 131.485 -0.307 18154 11443 1 15 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.610 -0.294 18154 11444 1 15 . 1 1 127 127 ALA C C 127 178.530 178.530 178.914 -0.384 18154 11445 1 15 . 1 1 127 127 ALA CA C 127 53.847 53.847 53.913 -0.066 18154 11446 1 15 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.134 -0.342 18154 11447 1 15 . 1 1 127 127 ALA H H 127 9.696 9.696 9.177 0.519 18154 11448 1 15 . 1 1 128 128 SER N N 128 112.064 112.064 113.168 -1.104 18154 11449 1 15 . 1 1 128 128 SER HA H 128 4.224 4.224 4.221 0.003 18154 11450 1 15 . 1 1 128 128 SER C C 128 175.000 175.000 175.608 -0.608 18154 11451 1 15 . 1 1 128 128 SER CA C 128 61.246 61.246 60.641 0.605 18154 11452 1 15 . 1 1 128 128 SER CB C 128 63.310 63.310 63.481 -0.171 18154 11453 1 15 . 1 1 128 128 SER H H 128 8.373 8.373 8.422 -0.049 18154 11454 1 15 . 1 1 129 129 GLU N N 129 119.468 119.468 118.722 0.746 18154 11455 1 15 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.424 -0.024 18154 11456 1 15 . 1 1 129 129 GLU C C 129 175.947 175.947 176.070 -0.123 18154 11457 1 15 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.874 -0.459 18154 11458 1 15 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.707 0.022 18154 11459 1 15 . 1 1 129 129 GLU H H 129 7.267 7.267 7.584 -0.317 18154 11460 1 15 . 1 1 130 130 ASN N N 130 115.968 115.968 118.017 -2.049 18154 11461 1 15 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.125 0.041 18154 11462 1 15 . 1 1 130 130 ASN C C 130 172.000 172.000 173.923 -1.923 18154 11463 1 15 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.827 -0.604 18154 11464 1 15 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.889 -0.223 18154 11465 1 15 . 1 1 130 130 ASN H H 130 8.072 8.072 8.230 -0.158 18154 11466 1 15 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.527 0.023 18154 11467 1 15 . 1 1 131 131 PRO C C 131 176.400 176.400 176.195 0.205 18154 11468 1 15 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.297 0.203 18154 11469 1 15 . 1 1 131 131 PRO CB C 131 32.300 32.300 32.105 0.195 18154 11470 1 15 . 1 1 132 132 GLU N N 132 119.000 119.000 119.398 -0.398 18154 11471 1 15 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.893 0.127 18154 11472 1 15 . 1 1 132 132 GLU C C 132 174.200 174.200 175.296 -1.096 18154 11473 1 15 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.397 -0.397 18154 11474 1 15 . 1 1 132 132 GLU CB C 132 29.700 29.700 28.877 0.823 18154 11475 1 15 . 1 1 132 132 GLU H H 132 7.690 7.690 8.338 -0.648 18154 11476 1 15 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.249 -0.249 18154 11477 1 15 . 1 1 133 133 PRO C C 133 177.391 177.391 178.089 -0.698 18154 11478 1 15 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.279 0.190 18154 11479 1 15 . 1 1 133 133 PRO CB C 133 32.145 32.145 32.026 0.118 18154 11480 1 15 . 1 1 134 134 GLU N N 134 122.846 122.846 118.124 4.722 18154 11481 1 15 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.205 1.015 18154 11482 1 15 . 1 1 134 134 GLU C C 134 178.385 178.385 178.640 -0.255 18154 11483 1 15 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.502 -1.910 18154 11484 1 15 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.121 -1.531 18154 11485 1 15 . 1 1 134 134 GLU H H 134 10.707 10.707 8.977 1.730 18154 11486 1 15 . 1 1 135 135 THR N N 135 113.016 113.016 110.070 2.946 18154 11487 1 15 . 1 1 135 135 THR HA H 135 4.182 4.182 4.231 -0.049 18154 11488 1 15 . 1 1 135 135 THR C C 135 176.460 176.460 175.941 0.519 18154 11489 1 15 . 1 1 135 135 THR CA C 135 64.752 64.752 64.828 -0.076 18154 11490 1 15 . 1 1 135 135 THR CB C 135 69.248 69.248 68.901 0.347 18154 11491 1 15 . 1 1 135 135 THR H H 135 8.168 8.168 7.876 0.292 18154 11492 1 15 . 1 1 136 136 GLU N N 136 118.978 118.978 121.495 -2.517 18154 11493 1 15 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.523 0.041 18154 11494 1 15 . 1 1 136 136 GLU C C 136 178.370 178.370 178.622 -0.252 18154 11495 1 15 . 1 1 136 136 GLU CA C 136 56.913 56.913 57.901 -0.988 18154 11496 1 15 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.936 1.164 18154 11497 1 15 . 1 1 136 136 GLU H H 136 7.680 7.680 7.672 0.008 18154 11498 1 15 . 1 1 137 137 SER N N 137 116.501 116.501 116.203 0.298 18154 11499 1 15 . 1 1 137 137 SER HA H 137 4.033 4.033 4.199 -0.166 18154 11500 1 15 . 1 1 137 137 SER C C 137 175.670 175.670 176.637 -0.967 18154 11501 1 15 . 1 1 137 137 SER CA C 137 62.330 62.330 62.171 0.159 18154 11502 1 15 . 1 1 137 137 SER CB C 137 61.380 61.380 63.002 -1.622 18154 11503 1 15 . 1 1 137 137 SER H H 137 8.824 8.824 8.474 0.350 18154 11504 1 15 . 1 1 138 138 ASN N N 138 123.517 123.517 121.245 2.272 18154 11505 1 15 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.739 -0.148 18154 11506 1 15 . 1 1 138 138 ASN C C 138 175.700 175.700 175.386 0.314 18154 11507 1 15 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.724 -0.238 18154 11508 1 15 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.064 -2.811 18154 11509 1 15 . 1 1 138 138 ASN H H 138 8.564 8.564 8.332 0.232 18154 11510 1 15 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.323 0.132 18154 11511 1 15 . 1 1 139 139 PRO C C 139 180.033 180.033 178.345 1.688 18154 11512 1 15 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.225 0.385 18154 11513 1 15 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.315 -0.779 18154 11514 1 15 . 1 1 140 140 TRP N N 140 119.700 119.700 121.761 -2.061 18154 11515 1 15 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.409 -0.076 18154 11516 1 15 . 1 1 140 140 TRP C C 140 179.195 179.195 178.022 1.173 18154 11517 1 15 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.771 0.409 18154 11518 1 15 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.580 1.171 18154 11519 1 15 . 1 1 140 140 TRP H H 140 7.057 7.057 7.708 -0.651 18154 11520 1 15 . 1 1 141 141 VAL N N 141 122.879 122.879 119.416 3.463 18154 11521 1 15 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.700 0.036 18154 11522 1 15 . 1 1 141 141 VAL C C 141 177.416 177.416 178.568 -1.152 18154 11523 1 15 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.115 -0.398 18154 11524 1 15 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.594 -0.162 18154 11525 1 15 . 1 1 141 141 VAL H H 141 9.629 9.629 8.805 0.825 18154 11526 1 15 . 1 1 142 142 GLU N N 142 119.965 119.965 118.930 1.035 18154 11527 1 15 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.056 -0.324 18154 11528 1 15 . 1 1 142 142 GLU C C 142 178.800 178.800 178.570 0.230 18154 11529 1 15 . 1 1 142 142 GLU CA C 142 59.332 59.332 58.890 0.442 18154 11530 1 15 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.372 0.188 18154 11531 1 15 . 1 1 142 142 GLU H H 142 8.551 8.551 8.168 0.383 18154 11532 1 15 . 1 1 143 143 GLN N N 143 115.364 115.364 118.444 -3.080 18154 11533 1 15 . 1 1 143 143 GLN HA H 143 4.290 4.290 4.145 0.145 18154 11534 1 15 . 1 1 143 143 GLN C C 143 177.840 177.840 178.212 -0.372 18154 11535 1 15 . 1 1 143 143 GLN CA C 143 59.363 59.363 57.880 1.483 18154 11536 1 15 . 1 1 143 143 GLN CB C 143 29.362 29.362 28.936 0.426 18154 11537 1 15 . 1 1 143 143 GLN H H 143 7.380 7.380 7.843 -0.463 18154 11538 1 15 . 1 1 144 144 TRP N N 144 126.680 126.680 122.944 3.736 18154 11539 1 15 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.942 -0.608 18154 11540 1 15 . 1 1 144 144 TRP C C 144 178.200 178.200 178.354 -0.154 18154 11541 1 15 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.474 2.486 18154 11542 1 15 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.293 0.232 18154 11543 1 15 . 1 1 144 144 TRP H H 144 9.215 9.215 8.617 0.598 18154 11544 1 15 . 1 1 145 145 GLY N N 145 100.130 100.130 105.570 -5.440 18154 11545 1 15 . 1 1 145 145 GLY C C 145 177.391 177.391 175.507 1.884 18154 11546 1 15 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.301 -0.541 18154 11547 1 15 . 1 1 145 145 GLY H H 145 8.834 8.834 8.607 0.227 18154 11548 1 15 . 1 1 146 146 THR N N 146 110.831 110.831 113.968 -3.137 18154 11549 1 15 . 1 1 146 146 THR HA H 146 4.319 4.319 4.075 0.244 18154 11550 1 15 . 1 1 146 146 THR C C 146 175.574 175.574 175.457 0.117 18154 11551 1 15 . 1 1 146 146 THR CA C 146 63.260 63.260 64.272 -1.012 18154 11552 1 15 . 1 1 146 146 THR CB C 146 69.660 69.660 68.679 0.981 18154 11553 1 15 . 1 1 146 146 THR H H 146 7.594 7.594 7.709 -0.115 18154 11554 1 15 . 1 1 147 147 LEU N N 147 120.678 120.678 119.849 0.829 18154 11555 1 15 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.148 -0.090 18154 11556 1 15 . 1 1 147 147 LEU C C 147 177.176 177.176 177.117 0.059 18154 11557 1 15 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.627 -1.313 18154 11558 1 15 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.436 -0.208 18154 11559 1 15 . 1 1 147 147 LEU H H 147 7.458 7.458 7.453 0.005 18154 11560 1 15 . 1 1 148 148 LEU N N 148 117.062 117.062 118.811 -1.749 18154 11561 1 15 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.816 -0.098 18154 11562 1 15 . 1 1 148 148 LEU C C 148 175.570 175.570 176.755 -1.185 18154 11563 1 15 . 1 1 148 148 LEU CA C 148 53.951 53.951 53.972 -0.021 18154 11564 1 15 . 1 1 148 148 LEU CB C 148 39.600 39.600 40.949 -1.349 18154 11565 1 15 . 1 1 148 148 LEU H H 148 6.482 6.482 7.078 -0.596 18154 11566 1 16 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.733 -0.504 18154 11567 1 16 . 1 1 2 2 ALA C C 2 173.315 173.315 175.688 -2.373 18154 11568 1 16 . 1 1 2 2 ALA CA C 2 51.580 51.580 50.935 0.645 18154 11569 1 16 . 1 1 2 2 ALA CB C 2 20.223 20.223 20.769 -0.546 18154 11570 1 16 . 1 1 3 3 GLU N N 3 121.874 121.874 120.676 1.198 18154 11571 1 16 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.561 -0.287 18154 11572 1 16 . 1 1 3 3 GLU C C 3 174.545 174.545 175.463 -0.918 18154 11573 1 16 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.108 0.742 18154 11574 1 16 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.136 -0.416 18154 11575 1 16 . 1 1 3 3 GLU H H 3 8.696 8.696 8.954 -0.258 18154 11576 1 16 . 1 1 4 4 ILE N N 4 120.672 120.672 125.219 -4.547 18154 11577 1 16 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.787 0.322 18154 11578 1 16 . 1 1 4 4 ILE C C 4 175.463 175.463 174.739 0.724 18154 11579 1 16 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.113 -0.280 18154 11580 1 16 . 1 1 4 4 ILE CB C 4 43.670 43.670 41.150 2.520 18154 11581 1 16 . 1 1 4 4 ILE H H 4 8.860 8.860 9.162 -0.302 18154 11582 1 16 . 1 1 5 5 GLY N N 5 119.310 119.310 114.274 5.036 18154 11583 1 16 . 1 1 5 5 GLY C C 5 171.260 171.260 172.716 -1.456 18154 11584 1 16 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.185 0.635 18154 11585 1 16 . 1 1 5 5 GLY H H 5 8.469 8.469 8.147 0.322 18154 11586 1 16 . 1 1 6 6 ILE N N 6 126.915 126.915 125.634 1.281 18154 11587 1 16 . 1 1 6 6 ILE HA H 6 5.190 5.190 5.035 0.155 18154 11588 1 16 . 1 1 6 6 ILE C C 6 173.901 173.901 174.428 -0.527 18154 11589 1 16 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.575 -0.575 18154 11590 1 16 . 1 1 6 6 ILE CB C 6 38.000 38.000 40.082 -2.082 18154 11591 1 16 . 1 1 6 6 ILE H H 6 9.056 9.056 9.103 -0.047 18154 11592 1 16 . 1 1 7 7 PHE N N 7 127.354 127.354 127.035 0.319 18154 11593 1 16 . 1 1 7 7 PHE HA H 7 4.512 4.512 4.904 -0.392 18154 11594 1 16 . 1 1 7 7 PHE C C 7 174.230 174.230 174.242 -0.012 18154 11595 1 16 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.623 1.787 18154 11596 1 16 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.767 0.961 18154 11597 1 16 . 1 1 7 7 PHE H H 7 8.960 8.960 9.403 -0.443 18154 11598 1 16 . 1 1 8 8 VAL HA H 8 5.060 5.060 4.996 0.064 18154 11599 1 16 . 1 1 8 8 VAL C C 8 175.450 175.450 176.071 -0.621 18154 11600 1 16 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.242 0.958 18154 11601 1 16 . 1 1 8 8 VAL CB C 8 34.437 34.437 33.760 0.677 18154 11602 1 16 . 1 1 9 9 GLY N N 9 115.000 115.000 117.372 -2.372 18154 11603 1 16 . 1 1 9 9 GLY C C 9 173.150 173.150 172.817 0.333 18154 11604 1 16 . 1 1 9 9 GLY CA C 9 45.000 45.000 45.252 -0.252 18154 11605 1 16 . 1 1 9 9 GLY H H 9 9.393 9.393 8.733 0.660 18154 11606 1 16 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.357 0.338 18154 11607 1 16 . 1 1 12 12 TYR C C 12 176.560 176.560 175.941 0.619 18154 11608 1 16 . 1 1 12 12 TYR CA C 12 57.750 57.750 59.605 -1.855 18154 11609 1 16 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.694 -0.694 18154 11610 1 16 . 1 1 13 13 GLY N N 13 109.870 109.870 113.835 -3.965 18154 11611 1 16 . 1 1 13 13 GLY C C 13 175.930 175.930 173.433 2.497 18154 11612 1 16 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.197 1.803 18154 11613 1 16 . 1 1 13 13 GLY H H 13 8.500 8.500 7.071 1.429 18154 11614 1 16 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.581 -0.351 18154 11615 1 16 . 1 1 17 17 LEU C C 17 179.210 179.210 176.874 2.336 18154 11616 1 16 . 1 1 17 17 LEU CA C 17 58.400 58.400 56.440 1.960 18154 11617 1 16 . 1 1 17 17 LEU CB C 17 41.300 41.300 43.436 -2.136 18154 11618 1 16 . 1 1 18 18 VAL N N 18 117.231 117.231 121.475 -4.244 18154 11619 1 16 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.605 -0.282 18154 11620 1 16 . 1 1 18 18 VAL C C 18 178.460 178.460 177.580 0.880 18154 11621 1 16 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.347 0.519 18154 11622 1 16 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.941 0.519 18154 11623 1 16 . 1 1 18 18 VAL H H 18 7.645 7.645 7.743 -0.098 18154 11624 1 16 . 1 1 19 19 ALA N N 19 121.820 121.820 121.147 0.673 18154 11625 1 16 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.911 -0.095 18154 11626 1 16 . 1 1 19 19 ALA C C 19 178.180 178.180 179.340 -1.160 18154 11627 1 16 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.192 0.384 18154 11628 1 16 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.128 1.873 18154 11629 1 16 . 1 1 19 19 ALA H H 19 8.010 8.010 8.666 -0.656 18154 11630 1 16 . 1 1 20 20 GLU N N 20 118.960 118.960 118.027 0.933 18154 11631 1 16 . 1 1 20 20 GLU HA H 20 4.016 4.016 3.998 0.018 18154 11632 1 16 . 1 1 20 20 GLU C C 20 180.950 180.950 179.255 1.695 18154 11633 1 16 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.158 0.508 18154 11634 1 16 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.431 -0.131 18154 11635 1 16 . 1 1 20 20 GLU H H 20 8.700 8.700 8.049 0.651 18154 11636 1 16 . 1 1 21 21 GLU N N 21 121.371 121.371 119.693 1.678 18154 11637 1 16 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.055 -0.011 18154 11638 1 16 . 1 1 21 21 GLU C C 21 179.419 179.419 178.811 0.608 18154 11639 1 16 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.235 0.075 18154 11640 1 16 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.249 0.312 18154 11641 1 16 . 1 1 21 21 GLU H H 21 8.632 8.632 7.766 0.866 18154 11642 1 16 . 1 1 22 22 ALA N N 22 121.329 121.329 122.483 -1.154 18154 11643 1 16 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.067 -0.009 18154 11644 1 16 . 1 1 22 22 ALA C C 22 178.823 178.823 179.354 -0.531 18154 11645 1 16 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.660 -0.983 18154 11646 1 16 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.070 -0.427 18154 11647 1 16 . 1 1 22 22 ALA H H 22 8.182 8.182 8.633 -0.451 18154 11648 1 16 . 1 1 23 23 GLU N N 23 119.035 119.035 119.788 -0.753 18154 11649 1 16 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.027 -0.623 18154 11650 1 16 . 1 1 23 23 GLU C C 23 178.375 178.375 178.278 0.097 18154 11651 1 16 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.730 0.578 18154 11652 1 16 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.479 -0.548 18154 11653 1 16 . 1 1 23 23 GLU H H 23 8.387 8.387 8.070 0.317 18154 11654 1 16 . 1 1 24 24 ALA N N 24 122.207 122.207 121.948 0.259 18154 11655 1 16 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.094 -0.064 18154 11656 1 16 . 1 1 24 24 ALA C C 24 181.132 181.132 180.047 1.085 18154 11657 1 16 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.068 0.419 18154 11658 1 16 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.543 -0.543 18154 11659 1 16 . 1 1 24 24 ALA H H 24 7.535 7.535 7.797 -0.262 18154 11660 1 16 . 1 1 25 25 ILE N N 25 121.059 121.059 120.091 0.968 18154 11661 1 16 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.718 -0.054 18154 11662 1 16 . 1 1 25 25 ILE C C 25 178.419 178.419 177.866 0.553 18154 11663 1 16 . 1 1 25 25 ILE CA C 25 65.108 65.108 65.957 -0.849 18154 11664 1 16 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.144 0.819 18154 11665 1 16 . 1 1 25 25 ILE H H 25 7.800 7.800 8.506 -0.706 18154 11666 1 16 . 1 1 26 26 LEU N N 26 119.307 119.307 120.851 -1.544 18154 11667 1 16 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.115 0.061 18154 11668 1 16 . 1 1 26 26 LEU C C 26 179.863 179.863 179.702 0.161 18154 11669 1 16 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.475 -0.529 18154 11670 1 16 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.269 -0.129 18154 11671 1 16 . 1 1 26 26 LEU H H 26 8.509 8.509 8.401 0.108 18154 11672 1 16 . 1 1 27 27 THR N N 27 117.830 117.830 115.654 2.176 18154 11673 1 16 . 1 1 27 27 THR HA H 27 4.524 4.524 4.333 0.191 18154 11674 1 16 . 1 1 27 27 THR C C 27 179.027 179.027 176.150 2.877 18154 11675 1 16 . 1 1 27 27 THR CA C 27 66.000 66.000 66.487 -0.487 18154 11676 1 16 . 1 1 27 27 THR CB C 27 68.600 68.600 68.523 0.076 18154 11677 1 16 . 1 1 27 27 THR H H 27 8.796 8.796 8.611 0.185 18154 11678 1 16 . 1 1 28 28 ALA N N 28 126.313 126.313 122.222 4.091 18154 11679 1 16 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.164 0.041 18154 11680 1 16 . 1 1 28 28 ALA C C 28 179.360 179.360 179.613 -0.253 18154 11681 1 16 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.232 0.768 18154 11682 1 16 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.238 -0.588 18154 11683 1 16 . 1 1 28 28 ALA H H 28 7.832 7.832 7.755 0.077 18154 11684 1 16 . 1 1 29 29 GLN N N 29 115.527 115.527 116.563 -1.036 18154 11685 1 16 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.137 -0.010 18154 11686 1 16 . 1 1 29 29 GLN C C 29 176.547 176.547 177.061 -0.514 18154 11687 1 16 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.027 -0.464 18154 11688 1 16 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.586 -0.176 18154 11689 1 16 . 1 1 29 29 GLN H H 29 7.353 7.353 8.346 -0.993 18154 11690 1 16 . 1 1 30 30 GLY N N 30 105.961 105.961 103.783 2.178 18154 11691 1 16 . 1 1 30 30 GLY C C 30 174.785 174.785 173.977 0.808 18154 11692 1 16 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.684 -0.184 18154 11693 1 16 . 1 1 30 30 GLY H H 30 7.923 7.923 7.656 0.267 18154 11694 1 16 . 1 1 31 31 HIS N N 31 119.471 119.471 119.371 0.100 18154 11695 1 16 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.693 0.142 18154 11696 1 16 . 1 1 31 31 HIS C C 31 174.665 174.665 174.056 0.609 18154 11697 1 16 . 1 1 31 31 HIS CA C 31 55.842 55.842 55.310 0.532 18154 11698 1 16 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.638 0.362 18154 11699 1 16 . 1 1 31 31 HIS H H 31 7.558 7.558 8.076 -0.518 18154 11700 1 16 . 1 1 32 32 LYS N N 32 121.854 121.854 121.257 0.597 18154 11701 1 16 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.607 0.116 18154 11702 1 16 . 1 1 32 32 LYS C C 32 174.466 174.466 174.534 -0.068 18154 11703 1 16 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.408 0.457 18154 11704 1 16 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.290 0.670 18154 11705 1 16 . 1 1 32 32 LYS H H 32 8.665 8.665 8.917 -0.252 18154 11706 1 16 . 1 1 33 33 ALA N N 33 130.188 130.188 129.486 0.702 18154 11707 1 16 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.544 0.274 18154 11708 1 16 . 1 1 33 33 ALA C C 33 175.567 175.567 176.312 -0.745 18154 11709 1 16 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.389 -0.413 18154 11710 1 16 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.285 1.012 18154 11711 1 16 . 1 1 33 33 ALA H H 33 8.837 8.837 8.234 0.603 18154 11712 1 16 . 1 1 34 34 THR N N 34 117.164 117.164 116.707 0.457 18154 11713 1 16 . 1 1 34 34 THR HA H 34 4.359 4.359 4.516 -0.157 18154 11714 1 16 . 1 1 34 34 THR C C 34 171.315 171.315 172.576 -1.261 18154 11715 1 16 . 1 1 34 34 THR CA C 34 61.840 61.840 61.029 0.811 18154 11716 1 16 . 1 1 34 34 THR CB C 34 71.800 71.800 71.600 0.201 18154 11717 1 16 . 1 1 34 34 THR H H 34 7.826 7.826 8.960 -1.134 18154 11718 1 16 . 1 1 35 35 VAL N N 35 126.650 126.650 125.373 1.277 18154 11719 1 16 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.618 -0.435 18154 11720 1 16 . 1 1 35 35 VAL C C 35 174.675 174.675 174.043 0.632 18154 11721 1 16 . 1 1 35 35 VAL CA C 35 61.928 61.928 60.206 1.722 18154 11722 1 16 . 1 1 35 35 VAL CB C 35 32.650 32.650 33.201 -0.551 18154 11723 1 16 . 1 1 35 35 VAL H H 35 8.496 8.496 8.387 0.109 18154 11724 1 16 . 1 1 36 36 PHE N N 36 127.630 127.630 127.497 0.133 18154 11725 1 16 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.767 -0.216 18154 11726 1 16 . 1 1 36 36 PHE C C 36 174.347 174.347 174.495 -0.148 18154 11727 1 16 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.705 0.777 18154 11728 1 16 . 1 1 36 36 PHE CB C 36 40.165 40.165 42.429 -2.264 18154 11729 1 16 . 1 1 36 36 PHE H H 36 9.164 9.164 9.075 0.089 18154 11730 1 16 . 1 1 37 37 GLU N N 37 123.516 123.516 121.287 2.229 18154 11731 1 16 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.551 -0.081 18154 11732 1 16 . 1 1 37 37 GLU C C 37 175.954 175.954 175.622 0.332 18154 11733 1 16 . 1 1 37 37 GLU CA C 37 55.719 55.719 55.461 0.258 18154 11734 1 16 . 1 1 37 37 GLU CB C 37 31.460 31.460 32.025 -0.565 18154 11735 1 16 . 1 1 37 37 GLU H H 37 8.455 8.455 8.552 -0.097 18154 11736 1 16 . 1 1 38 38 ASP N N 38 120.395 120.395 122.083 -1.688 18154 11737 1 16 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.475 0.358 18154 11738 1 16 . 1 1 38 38 ASP C C 38 173.920 173.920 174.724 -0.804 18154 11739 1 16 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.269 0.208 18154 11740 1 16 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.586 0.018 18154 11741 1 16 . 1 1 38 38 ASP H H 38 9.602 9.602 8.759 0.843 18154 11742 1 16 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.635 0.045 18154 11743 1 16 . 1 1 39 39 PRO C C 39 176.274 176.274 176.508 -0.234 18154 11744 1 16 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.485 -0.501 18154 11745 1 16 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.233 1.167 18154 11746 1 16 . 1 1 40 40 GLU N N 40 119.026 119.026 121.297 -2.271 18154 11747 1 16 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.540 0.188 18154 11748 1 16 . 1 1 40 40 GLU C C 40 177.827 177.827 178.313 -0.486 18154 11749 1 16 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.982 -1.012 18154 11750 1 16 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.339 2.061 18154 11751 1 16 . 1 1 40 40 GLU H H 40 9.178 9.178 8.838 0.340 18154 11752 1 16 . 1 1 41 41 LEU N N 41 123.708 123.708 124.945 -1.237 18154 11753 1 16 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.243 -0.349 18154 11754 1 16 . 1 1 41 41 LEU C C 41 178.730 178.730 177.600 1.130 18154 11755 1 16 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.592 0.816 18154 11756 1 16 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.438 0.215 18154 11757 1 16 . 1 1 41 41 LEU H H 41 9.160 9.160 8.830 0.330 18154 11758 1 16 . 1 1 42 42 SER N N 42 110.500 110.500 114.507 -4.007 18154 11759 1 16 . 1 1 42 42 SER HA H 42 4.010 4.010 4.308 -0.298 18154 11760 1 16 . 1 1 42 42 SER C C 42 176.300 176.300 175.002 1.298 18154 11761 1 16 . 1 1 42 42 SER CA C 42 61.600 61.600 60.742 0.858 18154 11762 1 16 . 1 1 42 42 SER CB C 42 62.140 62.140 62.785 -0.645 18154 11763 1 16 . 1 1 42 42 SER H H 42 8.415 8.415 8.586 -0.171 18154 11764 1 16 . 1 1 43 43 ASP N N 43 119.770 119.770 120.772 -1.002 18154 11765 1 16 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.690 -0.233 18154 11766 1 16 . 1 1 43 43 ASP C C 43 176.150 176.150 176.310 -0.160 18154 11767 1 16 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.767 0.983 18154 11768 1 16 . 1 1 43 43 ASP CB C 43 42.700 42.700 40.916 1.784 18154 11769 1 16 . 1 1 43 43 ASP H H 43 7.690 7.690 8.075 -0.385 18154 11770 1 16 . 1 1 44 44 TRP N N 44 118.500 118.500 121.404 -2.904 18154 11771 1 16 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.486 -0.276 18154 11772 1 16 . 1 1 44 44 TRP C C 44 177.150 177.150 177.558 -0.408 18154 11773 1 16 . 1 1 44 44 TRP CA C 44 59.387 59.387 59.322 0.065 18154 11774 1 16 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.037 0.273 18154 11775 1 16 . 1 1 44 44 TRP H H 44 7.464 7.464 7.381 0.083 18154 11776 1 16 . 1 1 45 45 LEU N N 45 114.100 114.100 121.088 -6.988 18154 11777 1 16 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.035 0.140 18154 11778 1 16 . 1 1 45 45 LEU C C 45 176.300 176.300 175.894 0.406 18154 11779 1 16 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.453 -0.893 18154 11780 1 16 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.376 -0.156 18154 11781 1 16 . 1 1 45 45 LEU H H 45 7.550 7.550 8.546 -0.996 18154 11782 1 16 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.265 0.115 18154 11783 1 16 . 1 1 46 46 PRO C C 46 176.799 176.799 177.273 -0.474 18154 11784 1 16 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.485 0.802 18154 11785 1 16 . 1 1 46 46 PRO CB C 46 31.600 31.600 30.926 0.674 18154 11786 1 16 . 1 1 47 47 TYR N N 47 113.790 113.790 117.680 -3.890 18154 11787 1 16 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.648 -0.528 18154 11788 1 16 . 1 1 47 47 TYR C C 47 175.730 175.730 177.817 -2.087 18154 11789 1 16 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.578 1.622 18154 11790 1 16 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.423 0.593 18154 11791 1 16 . 1 1 47 47 TYR H H 47 8.291 8.291 8.330 -0.039 18154 11792 1 16 . 1 1 48 48 GLN N N 48 116.524 116.524 120.104 -3.580 18154 11793 1 16 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.933 -0.048 18154 11794 1 16 . 1 1 48 48 GLN C C 48 174.381 174.381 175.947 -1.566 18154 11795 1 16 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.619 0.207 18154 11796 1 16 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.934 2.066 18154 11797 1 16 . 1 1 48 48 GLN H H 48 7.300 7.300 7.524 -0.224 18154 11798 1 16 . 1 1 49 49 ASP N N 49 114.657 114.657 113.061 1.596 18154 11799 1 16 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.576 0.111 18154 11800 1 16 . 1 1 49 49 ASP C C 49 176.307 176.307 175.785 0.522 18154 11801 1 16 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.851 -2.116 18154 11802 1 16 . 1 1 49 49 ASP CB C 49 40.200 40.200 40.535 -0.335 18154 11803 1 16 . 1 1 49 49 ASP H H 49 7.854 7.854 8.408 -0.554 18154 11804 1 16 . 1 1 50 50 LYS N N 50 123.514 123.514 119.485 4.029 18154 11805 1 16 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.343 0.247 18154 11806 1 16 . 1 1 50 50 LYS C C 50 172.964 172.964 174.821 -1.857 18154 11807 1 16 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.472 -0.779 18154 11808 1 16 . 1 1 50 50 LYS CB C 50 33.355 33.355 34.847 -1.492 18154 11809 1 16 . 1 1 50 50 LYS H H 50 7.833 7.833 7.366 0.467 18154 11810 1 16 . 1 1 51 51 TYR N N 51 118.375 118.375 115.607 2.768 18154 11811 1 16 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.739 0.316 18154 11812 1 16 . 1 1 51 51 TYR C C 51 175.875 175.875 175.793 0.082 18154 11813 1 16 . 1 1 51 51 TYR CA C 51 56.421 56.421 56.470 -0.049 18154 11814 1 16 . 1 1 51 51 TYR CB C 51 42.477 42.477 42.129 0.348 18154 11815 1 16 . 1 1 51 51 TYR H H 51 7.745 7.745 8.527 -0.782 18154 11816 1 16 . 1 1 52 52 VAL N N 52 112.527 112.527 115.745 -3.218 18154 11817 1 16 . 1 1 52 52 VAL HA H 52 5.500 5.500 5.006 0.494 18154 11818 1 16 . 1 1 52 52 VAL C C 52 173.910 173.910 174.134 -0.224 18154 11819 1 16 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.470 -1.774 18154 11820 1 16 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.272 1.220 18154 11821 1 16 . 1 1 52 52 VAL H H 52 8.673 8.673 8.499 0.174 18154 11822 1 16 . 1 1 53 53 LEU N N 53 124.294 124.294 124.806 -0.512 18154 11823 1 16 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.234 -0.334 18154 11824 1 16 . 1 1 53 53 LEU C C 53 175.070 175.070 174.582 0.488 18154 11825 1 16 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.611 -1.045 18154 11826 1 16 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.226 -0.996 18154 11827 1 16 . 1 1 53 53 LEU H H 53 9.137 9.137 9.097 0.040 18154 11828 1 16 . 1 1 54 54 VAL N N 54 127.850 127.850 125.898 1.952 18154 11829 1 16 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.685 -0.175 18154 11830 1 16 . 1 1 54 54 VAL C C 54 174.030 174.030 174.563 -0.533 18154 11831 1 16 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.047 0.778 18154 11832 1 16 . 1 1 54 54 VAL CB C 54 32.691 32.691 32.944 -0.253 18154 11833 1 16 . 1 1 54 54 VAL H H 54 8.619 8.619 8.790 -0.171 18154 11834 1 16 . 1 1 55 55 VAL N N 55 127.181 127.181 127.279 -0.098 18154 11835 1 16 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.928 0.157 18154 11836 1 16 . 1 1 55 55 VAL C C 55 174.942 174.942 174.533 0.409 18154 11837 1 16 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.617 -0.548 18154 11838 1 16 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.970 -0.748 18154 11839 1 16 . 1 1 55 55 VAL H H 55 8.578 8.578 9.006 -0.428 18154 11840 1 16 . 1 1 56 56 THR N N 56 117.420 117.420 122.202 -4.782 18154 11841 1 16 . 1 1 56 56 THR HA H 56 5.590 5.590 4.951 0.639 18154 11842 1 16 . 1 1 56 56 THR C C 56 172.640 172.640 172.685 -0.045 18154 11843 1 16 . 1 1 56 56 THR CA C 56 59.359 59.359 61.017 -1.658 18154 11844 1 16 . 1 1 56 56 THR CB C 56 70.715 70.715 70.627 0.088 18154 11845 1 16 . 1 1 56 56 THR H H 56 8.710 8.710 8.665 0.045 18154 11846 1 16 . 1 1 57 57 SER HA H 57 5.250 5.250 5.021 0.229 18154 11847 1 16 . 1 1 57 57 SER CA C 57 57.730 57.730 57.169 0.561 18154 11848 1 16 . 1 1 57 57 SER CB C 57 64.500 64.500 65.316 -0.816 18154 11849 1 16 . 1 1 57 57 SER H H 57 8.075 8.075 8.335 -0.260 18154 11850 1 16 . 1 1 58 58 THR H H 58 7.900 7.900 8.591 -0.691 18154 11851 1 16 . 1 1 59 59 THR HA H 59 4.900 4.900 4.093 0.807 18154 11852 1 16 . 1 1 59 59 THR CA C 59 61.200 61.200 65.601 -4.401 18154 11853 1 16 . 1 1 59 59 THR CB C 59 73.400 73.400 69.217 4.183 18154 11854 1 16 . 1 1 59 59 THR H H 59 9.230 9.230 7.844 1.386 18154 11855 1 16 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.557 0.943 18154 11856 1 16 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.333 0.073 18154 11857 1 16 . 1 1 61 61 GLN C C 61 175.950 175.950 176.029 -0.079 18154 11858 1 16 . 1 1 61 61 GLN CA C 61 55.350 55.350 57.013 -1.663 18154 11859 1 16 . 1 1 61 61 GLN CB C 61 29.160 29.160 29.197 -0.037 18154 11860 1 16 . 1 1 62 62 GLY N N 62 108.420 108.420 105.072 3.348 18154 11861 1 16 . 1 1 62 62 GLY C C 62 173.134 173.134 172.967 0.167 18154 11862 1 16 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.832 0.952 18154 11863 1 16 . 1 1 62 62 GLY H H 62 8.073 8.073 7.368 0.705 18154 11864 1 16 . 1 1 63 63 ASP N N 63 118.400 118.400 120.212 -1.812 18154 11865 1 16 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.905 -0.125 18154 11866 1 16 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.222 1.073 18154 11867 1 16 . 1 1 63 63 ASP CB C 63 42.740 42.740 43.794 -1.054 18154 11868 1 16 . 1 1 63 63 ASP H H 63 7.248 7.248 8.311 -1.063 18154 11869 1 16 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.578 -0.178 18154 11870 1 16 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.471 1.679 18154 11871 1 16 . 1 1 64 64 LEU CB C 64 41.687 41.687 43.701 -2.014 18154 11872 1 16 . 1 1 64 64 LEU H H 64 8.445 8.445 8.000 0.445 18154 11873 1 16 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.447 -0.154 18154 11874 1 16 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.711 -0.367 18154 11875 1 16 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.594 -0.114 18154 11876 1 16 . 1 1 66 66 ASP N N 66 121.200 121.200 121.147 0.053 18154 11877 1 16 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.337 -0.077 18154 11878 1 16 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.445 1.185 18154 11879 1 16 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.977 -0.177 18154 11880 1 16 . 1 1 66 66 ASP H H 66 8.605 8.605 8.611 -0.006 18154 11881 1 16 . 1 1 67 67 SER HA H 67 4.292 4.292 4.266 0.026 18154 11882 1 16 . 1 1 67 67 SER C C 67 175.650 175.650 175.100 0.550 18154 11883 1 16 . 1 1 67 67 SER CA C 67 60.500 60.500 60.324 0.176 18154 11884 1 16 . 1 1 67 67 SER CB C 67 63.530 63.530 63.490 0.040 18154 11885 1 16 . 1 1 68 68 ILE N N 68 120.550 120.550 120.644 -0.094 18154 11886 1 16 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.429 0.681 18154 11887 1 16 . 1 1 68 68 ILE C C 68 174.713 174.713 176.489 -1.776 18154 11888 1 16 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.532 -0.133 18154 11889 1 16 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.400 3.840 18154 11890 1 16 . 1 1 68 68 ILE H H 68 7.870 7.870 7.544 0.326 18154 11891 1 16 . 1 1 69 69 VAL N N 69 125.740 125.740 123.534 2.206 18154 11892 1 16 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.653 0.092 18154 11893 1 16 . 1 1 69 69 VAL C C 69 174.500 174.500 174.637 -0.137 18154 11894 1 16 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.519 -0.969 18154 11895 1 16 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.356 0.774 18154 11896 1 16 . 1 1 69 69 VAL H H 69 7.428 7.428 8.325 -0.897 18154 11897 1 16 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.301 -0.009 18154 11898 1 16 . 1 1 70 70 PRO C C 70 180.820 180.820 178.885 1.935 18154 11899 1 16 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.026 0.444 18154 11900 1 16 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.289 -0.632 18154 11901 1 16 . 1 1 71 71 LEU N N 71 119.467 119.467 120.196 -0.729 18154 11902 1 16 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.065 -0.220 18154 11903 1 16 . 1 1 71 71 LEU C C 71 176.489 176.489 178.396 -1.907 18154 11904 1 16 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.883 0.324 18154 11905 1 16 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.778 -0.292 18154 11906 1 16 . 1 1 71 71 LEU H H 71 7.918 7.918 7.338 0.580 18154 11907 1 16 . 1 1 72 72 PHE N N 72 119.361 119.361 119.655 -0.294 18154 11908 1 16 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.387 -0.242 18154 11909 1 16 . 1 1 72 72 PHE C C 72 175.968 175.968 177.110 -1.142 18154 11910 1 16 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.772 0.049 18154 11911 1 16 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.628 0.919 18154 11912 1 16 . 1 1 72 72 PHE H H 72 7.903 7.903 8.830 -0.927 18154 11913 1 16 . 1 1 73 73 GLN N N 73 116.100 116.100 116.813 -0.713 18154 11914 1 16 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.806 -0.279 18154 11915 1 16 . 1 1 73 73 GLN C C 73 177.871 177.871 178.657 -0.786 18154 11916 1 16 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.806 -0.666 18154 11917 1 16 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.094 0.053 18154 11918 1 16 . 1 1 73 73 GLN H H 73 9.042 9.042 8.651 0.391 18154 11919 1 16 . 1 1 74 74 GLY N N 74 107.110 107.110 108.333 -1.223 18154 11920 1 16 . 1 1 74 74 GLY C C 74 175.894 175.894 176.456 -0.562 18154 11921 1 16 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.947 0.333 18154 11922 1 16 . 1 1 74 74 GLY H H 74 8.045 8.045 8.138 -0.093 18154 11923 1 16 . 1 1 75 75 ILE N N 75 123.629 123.629 122.727 0.902 18154 11924 1 16 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.352 -0.302 18154 11925 1 16 . 1 1 75 75 ILE C C 75 178.622 178.622 177.116 1.506 18154 11926 1 16 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.859 0.398 18154 11927 1 16 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.412 0.556 18154 11928 1 16 . 1 1 75 75 ILE H H 75 8.174 8.174 8.154 0.020 18154 11929 1 16 . 1 1 76 76 LYS N N 76 119.363 119.363 118.528 0.835 18154 11930 1 16 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.762 -0.457 18154 11931 1 16 . 1 1 76 76 LYS C C 76 177.909 177.909 178.246 -0.337 18154 11932 1 16 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.261 0.444 18154 11933 1 16 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.910 0.440 18154 11934 1 16 . 1 1 76 76 LYS H H 76 7.600 7.600 7.430 0.170 18154 11935 1 16 . 1 1 77 77 ASP N N 77 115.190 115.190 118.103 -2.913 18154 11936 1 16 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.553 -0.071 18154 11937 1 16 . 1 1 77 77 ASP C C 77 178.825 178.825 178.271 0.554 18154 11938 1 16 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.179 0.100 18154 11939 1 16 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.826 -0.636 18154 11940 1 16 . 1 1 77 77 ASP H H 77 8.482 8.482 8.269 0.213 18154 11941 1 16 . 1 1 78 78 SER N N 78 112.576 112.576 116.072 -3.496 18154 11942 1 16 . 1 1 78 78 SER HA H 78 4.728 4.728 4.395 0.333 18154 11943 1 16 . 1 1 78 78 SER C C 78 174.556 174.556 174.907 -0.351 18154 11944 1 16 . 1 1 78 78 SER CA C 78 60.045 60.045 60.544 -0.499 18154 11945 1 16 . 1 1 78 78 SER CB C 78 64.643 64.643 63.899 0.744 18154 11946 1 16 . 1 1 78 78 SER H H 78 8.273 8.273 8.001 0.272 18154 11947 1 16 . 1 1 79 79 LEU N N 79 120.833 120.833 120.916 -0.083 18154 11948 1 16 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.419 0.396 18154 11949 1 16 . 1 1 79 79 LEU C C 79 176.251 176.251 178.754 -2.503 18154 11950 1 16 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.337 -2.377 18154 11951 1 16 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.357 -3.161 18154 11952 1 16 . 1 1 79 79 LEU H H 79 7.025 7.025 7.536 -0.511 18154 11953 1 16 . 1 1 80 80 GLY N N 80 108.861 108.861 106.846 2.015 18154 11954 1 16 . 1 1 80 80 GLY C C 80 173.623 173.623 173.652 -0.029 18154 11955 1 16 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.315 -0.086 18154 11956 1 16 . 1 1 80 80 GLY H H 80 7.499 7.499 8.120 -0.621 18154 11957 1 16 . 1 1 81 81 PHE N N 81 121.441 121.441 119.537 1.904 18154 11958 1 16 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.933 0.127 18154 11959 1 16 . 1 1 81 81 PHE C C 81 174.411 174.411 172.503 1.908 18154 11960 1 16 . 1 1 81 81 PHE CA C 81 57.211 57.211 56.740 0.471 18154 11961 1 16 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.952 -1.332 18154 11962 1 16 . 1 1 81 81 PHE H H 81 8.018 8.018 7.398 0.620 18154 11963 1 16 . 1 1 82 82 GLN N N 82 126.480 126.480 123.118 3.362 18154 11964 1 16 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.614 0.276 18154 11965 1 16 . 1 1 82 82 GLN C C 82 172.700 172.700 173.565 -0.865 18154 11966 1 16 . 1 1 82 82 GLN CA C 82 54.177 54.177 51.887 2.290 18154 11967 1 16 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.210 2.390 18154 11968 1 16 . 1 1 82 82 GLN H H 82 9.588 9.588 7.673 1.915 18154 11969 1 16 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.120 0.253 18154 11970 1 16 . 1 1 83 83 PRO C C 83 178.163 178.163 176.669 1.494 18154 11971 1 16 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.248 -0.557 18154 11972 1 16 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.421 -0.556 18154 11973 1 16 . 1 1 84 84 ASN N N 84 116.900 116.900 113.376 3.524 18154 11974 1 16 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.818 -0.049 18154 11975 1 16 . 1 1 84 84 ASN C C 84 173.332 173.332 173.422 -0.090 18154 11976 1 16 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.735 -0.175 18154 11977 1 16 . 1 1 84 84 ASN CB C 84 39.260 39.260 39.956 -0.697 18154 11978 1 16 . 1 1 84 84 ASN H H 84 8.578 8.578 8.273 0.305 18154 11979 1 16 . 1 1 85 85 LEU N N 85 124.380 124.380 122.501 1.879 18154 11980 1 16 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.271 -0.225 18154 11981 1 16 . 1 1 85 85 LEU C C 85 175.880 175.880 175.901 -0.021 18154 11982 1 16 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.957 0.885 18154 11983 1 16 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.154 -0.854 18154 11984 1 16 . 1 1 85 85 LEU H H 85 7.240 7.240 7.522 -0.282 18154 11985 1 16 . 1 1 86 86 ARG N N 86 128.715 128.715 123.698 5.017 18154 11986 1 16 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.694 0.100 18154 11987 1 16 . 1 1 86 86 ARG C C 86 175.554 175.554 175.653 -0.099 18154 11988 1 16 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.382 1.060 18154 11989 1 16 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.438 -0.565 18154 11990 1 16 . 1 1 86 86 ARG H H 86 7.732 7.732 7.849 -0.117 18154 11991 1 16 . 1 1 87 87 TYR N N 87 117.420 117.420 117.454 -0.034 18154 11992 1 16 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.801 0.964 18154 11993 1 16 . 1 1 87 87 TYR C C 87 172.931 172.931 173.561 -0.630 18154 11994 1 16 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.303 -1.042 18154 11995 1 16 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.553 3.385 18154 11996 1 16 . 1 1 87 87 TYR H H 87 8.783 8.783 8.241 0.542 18154 11997 1 16 . 1 1 88 88 GLY N N 88 107.765 107.765 106.030 1.735 18154 11998 1 16 . 1 1 88 88 GLY C C 88 172.621 172.621 171.789 0.832 18154 11999 1 16 . 1 1 88 88 GLY CA C 88 43.861 43.861 43.656 0.205 18154 12000 1 16 . 1 1 88 88 GLY H H 88 8.905 8.905 8.810 0.095 18154 12001 1 16 . 1 1 89 89 VAL N N 89 118.180 118.180 118.688 -0.508 18154 12002 1 16 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.849 0.152 18154 12003 1 16 . 1 1 89 89 VAL C C 89 172.939 172.939 174.101 -1.162 18154 12004 1 16 . 1 1 89 89 VAL CA C 89 60.999 60.999 61.712 -0.713 18154 12005 1 16 . 1 1 89 89 VAL CB C 89 36.398 36.398 36.551 -0.153 18154 12006 1 16 . 1 1 89 89 VAL H H 89 7.499 7.499 8.441 -0.942 18154 12007 1 16 . 1 1 90 90 ILE N N 90 125.000 125.000 125.567 -0.567 18154 12008 1 16 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.067 0.060 18154 12009 1 16 . 1 1 90 90 ILE C C 90 173.099 173.099 173.828 -0.729 18154 12010 1 16 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.794 0.695 18154 12011 1 16 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.369 0.029 18154 12012 1 16 . 1 1 90 90 ILE H H 90 8.810 8.810 8.790 0.020 18154 12013 1 16 . 1 1 91 91 ALA N N 91 129.036 129.036 129.878 -0.842 18154 12014 1 16 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.317 0.009 18154 12015 1 16 . 1 1 91 91 ALA C C 91 174.000 174.000 175.804 -1.804 18154 12016 1 16 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.833 -0.833 18154 12017 1 16 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.048 1.052 18154 12018 1 16 . 1 1 91 91 ALA H H 91 9.253 9.253 8.883 0.370 18154 12019 1 16 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.052 -0.121 18154 12020 1 16 . 1 1 92 92 LEU C C 92 177.366 177.366 177.072 0.294 18154 12021 1 16 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.294 0.623 18154 12022 1 16 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.260 -2.860 18154 12023 1 16 . 1 1 93 93 GLY N N 93 110.663 110.663 108.632 2.031 18154 12024 1 16 . 1 1 93 93 GLY C C 93 172.029 172.029 171.947 0.082 18154 12025 1 16 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.731 -0.001 18154 12026 1 16 . 1 1 93 93 GLY H H 93 8.687 8.687 8.716 -0.029 18154 12027 1 16 . 1 1 94 94 ASP N N 94 119.304 119.304 121.077 -1.773 18154 12028 1 16 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.539 -0.279 18154 12029 1 16 . 1 1 94 94 ASP C C 94 176.978 176.978 177.686 -0.708 18154 12030 1 16 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.279 1.328 18154 12031 1 16 . 1 1 94 94 ASP CB C 94 43.000 43.000 43.301 -0.301 18154 12032 1 16 . 1 1 94 94 ASP H H 94 8.129 8.129 8.354 -0.225 18154 12033 1 16 . 1 1 95 95 SER N N 95 123.897 123.897 122.836 1.061 18154 12034 1 16 . 1 1 95 95 SER HA H 95 3.895 3.895 4.301 -0.406 18154 12035 1 16 . 1 1 95 95 SER C C 95 175.243 175.243 175.528 -0.285 18154 12036 1 16 . 1 1 95 95 SER CA C 95 60.183 60.183 60.477 -0.294 18154 12037 1 16 . 1 1 95 95 SER CB C 95 61.700 61.700 62.691 -0.990 18154 12038 1 16 . 1 1 95 95 SER H H 95 8.878 8.878 9.549 -0.671 18154 12039 1 16 . 1 1 96 96 SER N N 96 119.248 119.248 116.909 2.339 18154 12040 1 16 . 1 1 96 96 SER HA H 96 4.209 4.209 4.230 -0.021 18154 12041 1 16 . 1 1 96 96 SER C C 96 173.900 173.900 175.146 -1.246 18154 12042 1 16 . 1 1 96 96 SER CA C 96 60.197 60.197 60.144 0.053 18154 12043 1 16 . 1 1 96 96 SER CB C 96 63.000 63.000 63.532 -0.532 18154 12044 1 16 . 1 1 96 96 SER H H 96 9.124 9.124 8.450 0.674 18154 12045 1 16 . 1 1 97 97 TYR N N 97 120.889 120.889 121.828 -0.939 18154 12046 1 16 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.485 0.403 18154 12047 1 16 . 1 1 97 97 TYR C C 97 175.972 175.972 176.954 -0.982 18154 12048 1 16 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.475 -2.725 18154 12049 1 16 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.057 0.763 18154 12050 1 16 . 1 1 97 97 TYR H H 97 7.664 7.664 7.857 -0.193 18154 12051 1 16 . 1 1 98 98 VAL N N 98 116.952 116.952 119.758 -2.806 18154 12052 1 16 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.813 0.247 18154 12053 1 16 . 1 1 98 98 VAL C C 98 175.969 175.969 177.182 -1.213 18154 12054 1 16 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.035 -2.195 18154 12055 1 16 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.784 0.816 18154 12056 1 16 . 1 1 98 98 VAL H H 98 7.970 7.970 8.466 -0.496 18154 12057 1 16 . 1 1 99 99 ASN N N 99 118.156 118.156 118.544 -0.388 18154 12058 1 16 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.774 -0.263 18154 12059 1 16 . 1 1 99 99 ASN C C 99 174.329 174.329 174.086 0.243 18154 12060 1 16 . 1 1 99 99 ASN CA C 99 53.031 53.031 52.638 0.393 18154 12061 1 16 . 1 1 99 99 ASN CB C 99 37.238 37.238 36.799 0.439 18154 12062 1 16 . 1 1 99 99 ASN H H 99 8.296 8.296 8.528 -0.232 18154 12063 1 16 . 1 1 100 100 PHE N N 100 118.649 118.649 122.978 -4.329 18154 12064 1 16 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.311 0.104 18154 12065 1 16 . 1 1 100 100 PHE C C 100 174.400 174.400 175.827 -1.427 18154 12066 1 16 . 1 1 100 100 PHE CA C 100 58.190 58.190 60.077 -1.887 18154 12067 1 16 . 1 1 100 100 PHE CB C 100 39.679 39.679 39.546 0.133 18154 12068 1 16 . 1 1 100 100 PHE H H 100 7.855 7.855 7.829 0.026 18154 12069 1 16 . 1 1 101 101 CYS HA H 101 3.585 3.585 3.648 -0.063 18154 12070 1 16 . 1 1 101 101 CYS CA C 101 62.740 62.740 60.184 2.556 18154 12071 1 16 . 1 1 101 101 CYS CB C 101 26.000 26.000 25.786 0.214 18154 12072 1 16 . 1 1 101 101 CYS H H 101 9.240 9.240 8.638 0.602 18154 12073 1 16 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.440 -0.220 18154 12074 1 16 . 1 1 102 102 ASN CA C 102 57.200 57.200 55.871 1.329 18154 12075 1 16 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.623 -0.023 18154 12076 1 16 . 1 1 102 102 ASN H H 102 8.300 8.300 7.923 0.377 18154 12077 1 16 . 1 1 103 103 GLY C C 103 175.690 175.690 175.861 -0.171 18154 12078 1 16 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.004 0.346 18154 12079 1 16 . 1 1 104 104 GLY N N 104 106.150 106.150 109.658 -3.508 18154 12080 1 16 . 1 1 104 104 GLY C C 104 174.570 174.570 176.063 -1.493 18154 12081 1 16 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.313 1.037 18154 12082 1 16 . 1 1 104 104 GLY H H 104 7.108 7.108 7.712 -0.604 18154 12083 1 16 . 1 1 105 105 LYS N N 105 120.732 120.732 122.577 -1.845 18154 12084 1 16 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.907 0.030 18154 12085 1 16 . 1 1 105 105 LYS C C 105 179.706 179.706 178.995 0.711 18154 12086 1 16 . 1 1 105 105 LYS CA C 105 60.308 60.308 60.038 0.270 18154 12087 1 16 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.220 -0.423 18154 12088 1 16 . 1 1 105 105 LYS H H 105 7.708 7.708 7.693 0.015 18154 12089 1 16 . 1 1 106 106 GLN N N 106 119.087 119.087 118.859 0.228 18154 12090 1 16 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.072 0.070 18154 12091 1 16 . 1 1 106 106 GLN C C 106 179.418 179.418 178.709 0.709 18154 12092 1 16 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.918 -0.043 18154 12093 1 16 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.474 0.285 18154 12094 1 16 . 1 1 106 106 GLN H H 106 8.738 8.738 8.487 0.251 18154 12095 1 16 . 1 1 107 107 PHE N N 107 123.088 123.088 119.953 3.135 18154 12096 1 16 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.370 -0.120 18154 12097 1 16 . 1 1 107 107 PHE C C 107 178.403 178.403 177.638 0.765 18154 12098 1 16 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.598 0.587 18154 12099 1 16 . 1 1 107 107 PHE CB C 107 39.451 39.451 39.053 0.398 18154 12100 1 16 . 1 1 107 107 PHE H H 107 7.922 7.922 7.810 0.112 18154 12101 1 16 . 1 1 108 108 ASP N N 108 117.118 117.118 120.459 -3.341 18154 12102 1 16 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.542 -0.168 18154 12103 1 16 . 1 1 108 108 ASP C C 108 176.973 176.973 178.380 -1.407 18154 12104 1 16 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.619 0.810 18154 12105 1 16 . 1 1 108 108 ASP CB C 108 44.123 44.123 40.945 3.178 18154 12106 1 16 . 1 1 108 108 ASP H H 108 8.305 8.305 8.396 -0.091 18154 12107 1 16 . 1 1 109 109 ALA N N 109 118.590 118.590 121.937 -3.347 18154 12108 1 16 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.051 -0.001 18154 12109 1 16 . 1 1 109 109 ALA C C 109 180.430 180.430 179.369 1.061 18154 12110 1 16 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.051 0.145 18154 12111 1 16 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.593 -0.486 18154 12112 1 16 . 1 1 109 109 ALA H H 109 8.332 8.332 8.242 0.090 18154 12113 1 16 . 1 1 110 110 LEU N N 110 120.402 120.402 119.855 0.547 18154 12114 1 16 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.998 0.087 18154 12115 1 16 . 1 1 110 110 LEU C C 110 177.801 177.801 178.768 -0.967 18154 12116 1 16 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.714 -0.074 18154 12117 1 16 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.708 1.048 18154 12118 1 16 . 1 1 110 110 LEU H H 110 7.868 7.868 7.973 -0.105 18154 12119 1 16 . 1 1 111 111 LEU N N 111 116.945 116.945 116.853 0.092 18154 12120 1 16 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.776 -0.058 18154 12121 1 16 . 1 1 111 111 LEU C C 111 179.838 179.838 179.311 0.527 18154 12122 1 16 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.416 0.549 18154 12123 1 16 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.105 -2.245 18154 12124 1 16 . 1 1 111 111 LEU H H 111 7.704 7.704 7.231 0.473 18154 12125 1 16 . 1 1 112 112 GLN N N 112 118.484 118.484 117.393 1.091 18154 12126 1 16 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.161 -0.020 18154 12127 1 16 . 1 1 112 112 GLN C C 112 181.218 181.218 178.045 3.173 18154 12128 1 16 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.636 1.330 18154 12129 1 16 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.278 0.982 18154 12130 1 16 . 1 1 112 112 GLN H H 112 8.441 8.441 8.061 0.380 18154 12131 1 16 . 1 1 113 113 GLU N N 113 122.905 122.905 116.041 6.864 18154 12132 1 16 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.149 0.032 18154 12133 1 16 . 1 1 113 113 GLU C C 113 178.001 178.001 177.291 0.710 18154 12134 1 16 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.541 1.444 18154 12135 1 16 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.456 -0.186 18154 12136 1 16 . 1 1 113 113 GLU H H 113 8.305 8.305 7.820 0.485 18154 12137 1 16 . 1 1 114 114 GLN N N 114 117.332 117.332 118.031 -0.699 18154 12138 1 16 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.274 0.321 18154 12139 1 16 . 1 1 114 114 GLN C C 114 174.538 174.538 176.791 -2.253 18154 12140 1 16 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.465 -1.048 18154 12141 1 16 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.571 -4.741 18154 12142 1 16 . 1 1 114 114 GLN H H 114 7.520 7.520 7.466 0.054 18154 12143 1 16 . 1 1 115 115 SER N N 115 109.100 109.100 109.455 -0.355 18154 12144 1 16 . 1 1 115 115 SER HA H 115 4.200 4.200 4.545 -0.345 18154 12145 1 16 . 1 1 115 115 SER C C 115 172.302 172.302 173.605 -1.303 18154 12146 1 16 . 1 1 115 115 SER CA C 115 60.400 60.400 58.428 1.972 18154 12147 1 16 . 1 1 115 115 SER CB C 115 61.325 61.325 65.923 -4.598 18154 12148 1 16 . 1 1 115 115 SER H H 115 7.950 7.950 7.872 0.078 18154 12149 1 16 . 1 1 116 116 ALA N N 116 121.059 121.059 125.745 -4.686 18154 12150 1 16 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.310 0.484 18154 12151 1 16 . 1 1 116 116 ALA C C 116 176.774 176.774 175.942 0.832 18154 12152 1 16 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.084 -0.394 18154 12153 1 16 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.770 0.595 18154 12154 1 16 . 1 1 116 116 ALA H H 116 7.813 7.813 7.975 -0.162 18154 12155 1 16 . 1 1 117 117 GLN N N 117 118.000 118.000 118.460 -0.460 18154 12156 1 16 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.644 -0.026 18154 12157 1 16 . 1 1 117 117 GLN C C 117 173.769 173.769 175.045 -1.276 18154 12158 1 16 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.141 0.415 18154 12159 1 16 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.079 -0.344 18154 12160 1 16 . 1 1 117 117 GLN H H 117 8.591 8.591 8.373 0.218 18154 12161 1 16 . 1 1 118 118 ARG N N 118 127.947 127.947 125.349 2.598 18154 12162 1 16 . 1 1 118 118 ARG HA H 118 3.308 3.308 3.351 -0.043 18154 12163 1 16 . 1 1 118 118 ARG C C 118 176.758 176.758 175.587 1.171 18154 12164 1 16 . 1 1 118 118 ARG CA C 118 56.186 56.186 56.275 -0.089 18154 12165 1 16 . 1 1 118 118 ARG CB C 118 30.310 30.310 31.261 -0.951 18154 12166 1 16 . 1 1 118 118 ARG H H 118 8.659 8.659 8.784 -0.125 18154 12167 1 16 . 1 1 119 119 VAL N N 119 131.939 131.939 124.386 7.553 18154 12168 1 16 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.267 -0.154 18154 12169 1 16 . 1 1 119 119 VAL C C 119 176.775 176.775 176.117 0.658 18154 12170 1 16 . 1 1 119 119 VAL CA C 119 62.174 62.174 62.154 0.020 18154 12171 1 16 . 1 1 119 119 VAL CB C 119 32.394 32.394 32.950 -0.556 18154 12172 1 16 . 1 1 119 119 VAL H H 119 9.520 9.520 8.476 1.044 18154 12173 1 16 . 1 1 120 120 GLY N N 120 116.074 116.074 115.539 0.535 18154 12174 1 16 . 1 1 120 120 GLY C C 120 172.757 172.757 173.381 -0.624 18154 12175 1 16 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.064 -1.166 18154 12176 1 16 . 1 1 120 120 GLY H H 120 8.755 8.755 8.344 0.411 18154 12177 1 16 . 1 1 121 121 GLU N N 121 118.754 118.754 119.922 -1.168 18154 12178 1 16 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.813 -0.147 18154 12179 1 16 . 1 1 121 121 GLU C C 121 177.419 177.419 176.752 0.667 18154 12180 1 16 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.739 -0.248 18154 12181 1 16 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.995 0.503 18154 12182 1 16 . 1 1 121 121 GLU H H 121 8.594 8.594 8.572 0.022 18154 12183 1 16 . 1 1 122 122 MET N N 122 122.642 122.642 120.509 2.133 18154 12184 1 16 . 1 1 122 122 MET HA H 122 4.415 4.415 5.037 -0.622 18154 12185 1 16 . 1 1 122 122 MET C C 122 175.351 175.351 174.870 0.481 18154 12186 1 16 . 1 1 122 122 MET CA C 122 57.024 57.024 54.378 2.646 18154 12187 1 16 . 1 1 122 122 MET CB C 122 34.210 34.210 33.681 0.529 18154 12188 1 16 . 1 1 122 122 MET H H 122 8.892 8.892 8.592 0.300 18154 12189 1 16 . 1 1 123 123 LEU N N 123 129.535 129.535 121.233 8.302 18154 12190 1 16 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.420 -0.070 18154 12191 1 16 . 1 1 123 123 LEU C C 123 173.124 173.124 174.744 -1.620 18154 12192 1 16 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.038 0.701 18154 12193 1 16 . 1 1 123 123 LEU CB C 123 41.078 41.078 43.564 -2.486 18154 12194 1 16 . 1 1 123 123 LEU H H 123 7.868 7.868 7.312 0.556 18154 12195 1 16 . 1 1 124 124 LEU N N 124 127.120 127.120 125.891 1.229 18154 12196 1 16 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.646 0.409 18154 12197 1 16 . 1 1 124 124 LEU C C 124 176.379 176.379 176.185 0.194 18154 12198 1 16 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.121 0.429 18154 12199 1 16 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.440 -1.062 18154 12200 1 16 . 1 1 124 124 LEU H H 124 8.346 8.346 8.261 0.085 18154 12201 1 16 . 1 1 125 125 ILE N N 125 124.337 124.337 125.085 -0.748 18154 12202 1 16 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.272 -0.092 18154 12203 1 16 . 1 1 125 125 ILE C C 125 174.303 174.303 175.117 -0.814 18154 12204 1 16 . 1 1 125 125 ILE CA C 125 61.100 61.100 62.070 -0.970 18154 12205 1 16 . 1 1 125 125 ILE CB C 125 39.943 39.943 39.944 -0.001 18154 12206 1 16 . 1 1 125 125 ILE H H 125 8.974 8.974 8.617 0.357 18154 12207 1 16 . 1 1 126 126 ASP N N 126 127.113 127.113 128.661 -1.548 18154 12208 1 16 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.549 -0.434 18154 12209 1 16 . 1 1 126 126 ASP C C 126 176.766 176.766 176.169 0.597 18154 12210 1 16 . 1 1 126 126 ASP CA C 126 51.847 51.847 51.943 -0.096 18154 12211 1 16 . 1 1 126 126 ASP CB C 126 41.100 41.100 42.377 -1.277 18154 12212 1 16 . 1 1 126 126 ASP H H 126 9.397 9.397 8.788 0.609 18154 12213 1 16 . 1 1 127 127 ALA N N 127 131.178 131.178 131.440 -0.262 18154 12214 1 16 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.434 -0.118 18154 12215 1 16 . 1 1 127 127 ALA C C 127 178.530 178.530 178.876 -0.346 18154 12216 1 16 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.130 -0.283 18154 12217 1 16 . 1 1 127 127 ALA CB C 127 18.792 18.792 18.991 -0.199 18154 12218 1 16 . 1 1 127 127 ALA H H 127 9.696 9.696 9.219 0.477 18154 12219 1 16 . 1 1 128 128 SER N N 128 112.064 112.064 113.549 -1.485 18154 12220 1 16 . 1 1 128 128 SER HA H 128 4.224 4.224 4.215 0.009 18154 12221 1 16 . 1 1 128 128 SER C C 128 175.000 175.000 175.633 -0.633 18154 12222 1 16 . 1 1 128 128 SER CA C 128 61.246 61.246 60.823 0.423 18154 12223 1 16 . 1 1 128 128 SER CB C 128 63.310 63.310 63.551 -0.241 18154 12224 1 16 . 1 1 128 128 SER H H 128 8.373 8.373 8.305 0.068 18154 12225 1 16 . 1 1 129 129 GLU N N 129 119.468 119.468 118.433 1.035 18154 12226 1 16 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.428 -0.028 18154 12227 1 16 . 1 1 129 129 GLU C C 129 175.947 175.947 176.038 -0.091 18154 12228 1 16 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.892 -0.477 18154 12229 1 16 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.648 0.082 18154 12230 1 16 . 1 1 129 129 GLU H H 129 7.267 7.267 7.573 -0.306 18154 12231 1 16 . 1 1 130 130 ASN N N 130 115.968 115.968 118.054 -2.086 18154 12232 1 16 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.116 0.050 18154 12233 1 16 . 1 1 130 130 ASN C C 130 172.000 172.000 173.891 -1.891 18154 12234 1 16 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.795 -0.572 18154 12235 1 16 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.908 -0.242 18154 12236 1 16 . 1 1 130 130 ASN H H 130 8.072 8.072 8.255 -0.183 18154 12237 1 16 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.579 -0.029 18154 12238 1 16 . 1 1 131 131 PRO C C 131 176.400 176.400 176.121 0.279 18154 12239 1 16 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.688 -0.188 18154 12240 1 16 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.860 0.440 18154 12241 1 16 . 1 1 132 132 GLU N N 132 119.000 119.000 119.056 -0.056 18154 12242 1 16 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.793 0.227 18154 12243 1 16 . 1 1 132 132 GLU C C 132 174.200 174.200 175.190 -0.990 18154 12244 1 16 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.182 -0.182 18154 12245 1 16 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.353 0.347 18154 12246 1 16 . 1 1 132 132 GLU H H 132 7.690 7.690 8.067 -0.377 18154 12247 1 16 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.233 -0.233 18154 12248 1 16 . 1 1 133 133 PRO C C 133 177.391 177.391 178.169 -0.778 18154 12249 1 16 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.132 0.337 18154 12250 1 16 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.958 0.187 18154 12251 1 16 . 1 1 134 134 GLU N N 134 122.846 122.846 118.260 4.586 18154 12252 1 16 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.171 1.049 18154 12253 1 16 . 1 1 134 134 GLU C C 134 178.385 178.385 178.874 -0.489 18154 12254 1 16 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.255 -1.663 18154 12255 1 16 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.694 -2.104 18154 12256 1 16 . 1 1 134 134 GLU H H 134 10.707 10.707 8.883 1.824 18154 12257 1 16 . 1 1 135 135 THR N N 135 113.016 113.016 111.414 1.602 18154 12258 1 16 . 1 1 135 135 THR HA H 135 4.182 4.182 4.172 0.010 18154 12259 1 16 . 1 1 135 135 THR C C 135 176.460 176.460 176.095 0.365 18154 12260 1 16 . 1 1 135 135 THR CA C 135 64.752 64.752 65.077 -0.325 18154 12261 1 16 . 1 1 135 135 THR CB C 135 69.248 69.248 68.801 0.447 18154 12262 1 16 . 1 1 135 135 THR H H 135 8.168 8.168 8.238 -0.070 18154 12263 1 16 . 1 1 136 136 GLU N N 136 118.978 118.978 121.943 -2.965 18154 12264 1 16 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.356 0.208 18154 12265 1 16 . 1 1 136 136 GLU C C 136 178.370 178.370 178.637 -0.267 18154 12266 1 16 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.678 -1.765 18154 12267 1 16 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.339 1.761 18154 12268 1 16 . 1 1 136 136 GLU H H 136 7.680 7.680 7.786 -0.106 18154 12269 1 16 . 1 1 137 137 SER N N 137 116.501 116.501 115.667 0.834 18154 12270 1 16 . 1 1 137 137 SER HA H 137 4.033 4.033 4.232 -0.199 18154 12271 1 16 . 1 1 137 137 SER C C 137 175.670 175.670 176.607 -0.937 18154 12272 1 16 . 1 1 137 137 SER CA C 137 62.330 62.330 61.890 0.440 18154 12273 1 16 . 1 1 137 137 SER CB C 137 61.380 61.380 63.096 -1.716 18154 12274 1 16 . 1 1 137 137 SER H H 137 8.824 8.824 8.267 0.557 18154 12275 1 16 . 1 1 138 138 ASN N N 138 123.517 123.517 121.220 2.297 18154 12276 1 16 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.730 -0.139 18154 12277 1 16 . 1 1 138 138 ASN C C 138 175.700 175.700 175.368 0.332 18154 12278 1 16 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.855 -0.369 18154 12279 1 16 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.147 -2.894 18154 12280 1 16 . 1 1 138 138 ASN H H 138 8.564 8.564 8.507 0.057 18154 12281 1 16 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.393 0.062 18154 12282 1 16 . 1 1 139 139 PRO C C 139 180.033 180.033 178.464 1.569 18154 12283 1 16 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.362 0.248 18154 12284 1 16 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.275 -0.739 18154 12285 1 16 . 1 1 140 140 TRP N N 140 119.700 119.700 121.586 -1.886 18154 12286 1 16 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.468 -0.135 18154 12287 1 16 . 1 1 140 140 TRP C C 140 179.195 179.195 178.100 1.095 18154 12288 1 16 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.699 0.481 18154 12289 1 16 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.366 1.385 18154 12290 1 16 . 1 1 140 140 TRP H H 140 7.057 7.057 7.478 -0.421 18154 12291 1 16 . 1 1 141 141 VAL N N 141 122.879 122.879 118.935 3.944 18154 12292 1 16 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.680 0.056 18154 12293 1 16 . 1 1 141 141 VAL C C 141 177.416 177.416 178.430 -1.014 18154 12294 1 16 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.222 -0.505 18154 12295 1 16 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.712 -0.280 18154 12296 1 16 . 1 1 141 141 VAL H H 141 9.629 9.629 8.916 0.713 18154 12297 1 16 . 1 1 142 142 GLU N N 142 119.965 119.965 120.101 -0.136 18154 12298 1 16 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.899 -0.167 18154 12299 1 16 . 1 1 142 142 GLU C C 142 178.800 178.800 178.789 0.011 18154 12300 1 16 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.973 -0.641 18154 12301 1 16 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.692 -0.132 18154 12302 1 16 . 1 1 142 142 GLU H H 142 8.551 8.551 8.063 0.488 18154 12303 1 16 . 1 1 143 143 GLN N N 143 115.364 115.364 119.047 -3.683 18154 12304 1 16 . 1 1 143 143 GLN HA H 143 4.290 4.290 3.969 0.321 18154 12305 1 16 . 1 1 143 143 GLN C C 143 177.840 177.840 178.085 -0.245 18154 12306 1 16 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.624 0.739 18154 12307 1 16 . 1 1 143 143 GLN CB C 143 29.362 29.362 28.718 0.644 18154 12308 1 16 . 1 1 143 143 GLN H H 143 7.380 7.380 8.061 -0.681 18154 12309 1 16 . 1 1 144 144 TRP N N 144 126.680 126.680 122.149 4.531 18154 12310 1 16 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.936 -0.602 18154 12311 1 16 . 1 1 144 144 TRP C C 144 178.200 178.200 178.487 -0.287 18154 12312 1 16 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.708 2.252 18154 12313 1 16 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.256 0.269 18154 12314 1 16 . 1 1 144 144 TRP H H 144 9.215 9.215 8.650 0.565 18154 12315 1 16 . 1 1 145 145 GLY N N 145 100.130 100.130 105.595 -5.465 18154 12316 1 16 . 1 1 145 145 GLY C C 145 177.391 177.391 174.899 2.492 18154 12317 1 16 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.109 -0.349 18154 12318 1 16 . 1 1 145 145 GLY H H 145 8.834 8.834 8.453 0.381 18154 12319 1 16 . 1 1 146 146 THR N N 146 110.831 110.831 112.634 -1.803 18154 12320 1 16 . 1 1 146 146 THR HA H 146 4.319 4.319 4.137 0.182 18154 12321 1 16 . 1 1 146 146 THR C C 146 175.574 175.574 175.705 -0.131 18154 12322 1 16 . 1 1 146 146 THR CA C 146 63.260 63.260 64.007 -0.747 18154 12323 1 16 . 1 1 146 146 THR CB C 146 69.660 69.660 68.804 0.856 18154 12324 1 16 . 1 1 146 146 THR H H 146 7.594 7.594 7.610 -0.016 18154 12325 1 16 . 1 1 147 147 LEU N N 147 120.678 120.678 120.423 0.255 18154 12326 1 16 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.177 -0.119 18154 12327 1 16 . 1 1 147 147 LEU C C 147 177.176 177.176 176.844 0.332 18154 12328 1 16 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.362 -1.048 18154 12329 1 16 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.403 -0.175 18154 12330 1 16 . 1 1 147 147 LEU H H 147 7.458 7.458 7.534 -0.076 18154 12331 1 16 . 1 1 148 148 LEU N N 148 117.062 117.062 118.206 -1.144 18154 12332 1 16 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.752 -0.034 18154 12333 1 16 . 1 1 148 148 LEU C C 148 175.570 175.570 176.425 -0.855 18154 12334 1 16 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.410 -0.459 18154 12335 1 16 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.212 -1.612 18154 12336 1 16 . 1 1 148 148 LEU H H 148 6.482 6.482 6.883 -0.401 18154 12337 1 17 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.688 -0.459 18154 12338 1 17 . 1 1 2 2 ALA C C 2 173.315 173.315 175.908 -2.593 18154 12339 1 17 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.671 -0.091 18154 12340 1 17 . 1 1 2 2 ALA CB C 2 20.223 20.223 20.082 0.140 18154 12341 1 17 . 1 1 3 3 GLU N N 3 121.874 121.874 120.147 1.727 18154 12342 1 17 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.510 -0.236 18154 12343 1 17 . 1 1 3 3 GLU C C 3 174.545 174.545 175.555 -1.010 18154 12344 1 17 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.629 0.221 18154 12345 1 17 . 1 1 3 3 GLU CB C 3 31.720 31.720 31.774 -0.054 18154 12346 1 17 . 1 1 3 3 GLU H H 3 8.696 8.696 8.803 -0.107 18154 12347 1 17 . 1 1 4 4 ILE N N 4 120.672 120.672 125.451 -4.779 18154 12348 1 17 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.796 0.313 18154 12349 1 17 . 1 1 4 4 ILE C C 4 175.463 175.463 174.733 0.730 18154 12350 1 17 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.163 -0.330 18154 12351 1 17 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.951 2.719 18154 12352 1 17 . 1 1 4 4 ILE H H 4 8.860 8.860 9.267 -0.407 18154 12353 1 17 . 1 1 5 5 GLY N N 5 119.310 119.310 114.271 5.039 18154 12354 1 17 . 1 1 5 5 GLY C C 5 171.260 171.260 172.719 -1.459 18154 12355 1 17 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.168 0.652 18154 12356 1 17 . 1 1 5 5 GLY H H 5 8.469 8.469 7.976 0.493 18154 12357 1 17 . 1 1 6 6 ILE N N 6 126.915 126.915 125.810 1.105 18154 12358 1 17 . 1 1 6 6 ILE HA H 6 5.190 5.190 4.827 0.363 18154 12359 1 17 . 1 1 6 6 ILE C C 6 173.901 173.901 174.394 -0.493 18154 12360 1 17 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.591 -0.591 18154 12361 1 17 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.408 -1.408 18154 12362 1 17 . 1 1 6 6 ILE H H 6 9.056 9.056 9.069 -0.013 18154 12363 1 17 . 1 1 7 7 PHE N N 7 127.354 127.354 127.719 -0.365 18154 12364 1 17 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.209 -0.697 18154 12365 1 17 . 1 1 7 7 PHE C C 7 174.230 174.230 174.997 -0.767 18154 12366 1 17 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.573 1.837 18154 12367 1 17 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.089 1.639 18154 12368 1 17 . 1 1 7 7 PHE H H 7 8.960 8.960 9.407 -0.447 18154 12369 1 17 . 1 1 8 8 VAL HA H 8 5.060 5.060 4.900 0.160 18154 12370 1 17 . 1 1 8 8 VAL C C 8 175.450 175.450 175.983 -0.533 18154 12371 1 17 . 1 1 8 8 VAL CA C 8 61.200 61.200 59.734 1.466 18154 12372 1 17 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.263 0.174 18154 12373 1 17 . 1 1 9 9 GLY N N 9 115.000 115.000 118.102 -3.102 18154 12374 1 17 . 1 1 9 9 GLY C C 9 173.150 173.150 173.702 -0.552 18154 12375 1 17 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.573 0.427 18154 12376 1 17 . 1 1 9 9 GLY H H 9 9.393 9.393 8.879 0.514 18154 12377 1 17 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.559 0.136 18154 12378 1 17 . 1 1 12 12 TYR C C 12 176.560 176.560 177.129 -0.569 18154 12379 1 17 . 1 1 12 12 TYR CA C 12 57.750 57.750 58.901 -1.151 18154 12380 1 17 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.423 -0.423 18154 12381 1 17 . 1 1 13 13 GLY N N 13 109.870 109.870 112.773 -2.903 18154 12382 1 17 . 1 1 13 13 GLY C C 13 175.930 175.930 175.159 0.771 18154 12383 1 17 . 1 1 13 13 GLY CA C 13 46.000 46.000 45.227 0.773 18154 12384 1 17 . 1 1 13 13 GLY H H 13 8.500 8.500 8.622 -0.122 18154 12385 1 17 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.500 -0.270 18154 12386 1 17 . 1 1 17 17 LEU C C 17 179.210 179.210 176.728 2.482 18154 12387 1 17 . 1 1 17 17 LEU CA C 17 58.400 58.400 56.300 2.100 18154 12388 1 17 . 1 1 17 17 LEU CB C 17 41.300 41.300 43.137 -1.837 18154 12389 1 17 . 1 1 18 18 VAL N N 18 117.231 117.231 121.628 -4.397 18154 12390 1 17 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.611 -0.288 18154 12391 1 17 . 1 1 18 18 VAL C C 18 178.460 178.460 177.545 0.915 18154 12392 1 17 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.364 0.502 18154 12393 1 17 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.866 0.594 18154 12394 1 17 . 1 1 18 18 VAL H H 18 7.645 7.645 7.584 0.061 18154 12395 1 17 . 1 1 19 19 ALA N N 19 121.820 121.820 121.382 0.438 18154 12396 1 17 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.919 -0.103 18154 12397 1 17 . 1 1 19 19 ALA C C 19 178.180 178.180 179.128 -0.948 18154 12398 1 17 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.533 0.043 18154 12399 1 17 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.007 1.993 18154 12400 1 17 . 1 1 19 19 ALA H H 19 8.010 8.010 8.554 -0.544 18154 12401 1 17 . 1 1 20 20 GLU N N 20 118.960 118.960 118.865 0.095 18154 12402 1 17 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.038 -0.022 18154 12403 1 17 . 1 1 20 20 GLU C C 20 180.950 180.950 178.904 2.046 18154 12404 1 17 . 1 1 20 20 GLU CA C 20 59.666 59.666 58.778 0.888 18154 12405 1 17 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.301 -0.001 18154 12406 1 17 . 1 1 20 20 GLU H H 20 8.700 8.700 7.942 0.758 18154 12407 1 17 . 1 1 21 21 GLU N N 21 121.371 121.371 120.323 1.048 18154 12408 1 17 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.049 -0.005 18154 12409 1 17 . 1 1 21 21 GLU C C 21 179.419 179.419 178.891 0.528 18154 12410 1 17 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.188 0.122 18154 12411 1 17 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.303 0.258 18154 12412 1 17 . 1 1 21 21 GLU H H 21 8.632 8.632 8.153 0.479 18154 12413 1 17 . 1 1 22 22 ALA N N 22 121.329 121.329 122.739 -1.410 18154 12414 1 17 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.063 -0.005 18154 12415 1 17 . 1 1 22 22 ALA C C 22 178.823 178.823 179.386 -0.563 18154 12416 1 17 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.643 -0.966 18154 12417 1 17 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.092 -0.449 18154 12418 1 17 . 1 1 22 22 ALA H H 22 8.182 8.182 8.581 -0.399 18154 12419 1 17 . 1 1 23 23 GLU N N 23 119.035 119.035 119.570 -0.535 18154 12420 1 17 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.028 -0.624 18154 12421 1 17 . 1 1 23 23 GLU C C 23 178.375 178.375 178.629 -0.254 18154 12422 1 17 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.746 0.562 18154 12423 1 17 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.489 -0.559 18154 12424 1 17 . 1 1 23 23 GLU H H 23 8.387 8.387 8.423 -0.036 18154 12425 1 17 . 1 1 24 24 ALA N N 24 122.207 122.207 122.286 -0.079 18154 12426 1 17 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.101 -0.071 18154 12427 1 17 . 1 1 24 24 ALA C C 24 181.132 181.132 179.932 1.200 18154 12428 1 17 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.067 0.420 18154 12429 1 17 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.585 -0.585 18154 12430 1 17 . 1 1 24 24 ALA H H 24 7.535 7.535 7.901 -0.366 18154 12431 1 17 . 1 1 25 25 ILE N N 25 121.059 121.059 120.028 1.031 18154 12432 1 17 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.736 -0.072 18154 12433 1 17 . 1 1 25 25 ILE C C 25 178.419 178.419 177.892 0.527 18154 12434 1 17 . 1 1 25 25 ILE CA C 25 65.108 65.108 65.883 -0.775 18154 12435 1 17 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.168 0.795 18154 12436 1 17 . 1 1 25 25 ILE H H 25 7.800 7.800 8.529 -0.729 18154 12437 1 17 . 1 1 26 26 LEU N N 26 119.307 119.307 120.887 -1.580 18154 12438 1 17 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.099 0.077 18154 12439 1 17 . 1 1 26 26 LEU C C 26 179.863 179.863 179.567 0.296 18154 12440 1 17 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.315 -0.369 18154 12441 1 17 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.150 -0.010 18154 12442 1 17 . 1 1 26 26 LEU H H 26 8.509 8.509 8.586 -0.077 18154 12443 1 17 . 1 1 27 27 THR N N 27 117.830 117.830 115.989 1.841 18154 12444 1 17 . 1 1 27 27 THR HA H 27 4.524 4.524 4.331 0.193 18154 12445 1 17 . 1 1 27 27 THR C C 27 179.027 179.027 176.372 2.655 18154 12446 1 17 . 1 1 27 27 THR CA C 27 66.000 66.000 66.578 -0.578 18154 12447 1 17 . 1 1 27 27 THR CB C 27 68.600 68.600 68.635 -0.035 18154 12448 1 17 . 1 1 27 27 THR H H 27 8.796 8.796 8.501 0.295 18154 12449 1 17 . 1 1 28 28 ALA N N 28 126.313 126.313 122.592 3.721 18154 12450 1 17 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.130 0.075 18154 12451 1 17 . 1 1 28 28 ALA C C 28 179.360 179.360 179.719 -0.359 18154 12452 1 17 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.317 0.683 18154 12453 1 17 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.196 -0.546 18154 12454 1 17 . 1 1 28 28 ALA H H 28 7.832 7.832 7.875 -0.043 18154 12455 1 17 . 1 1 29 29 GLN N N 29 115.527 115.527 116.458 -0.931 18154 12456 1 17 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.137 -0.010 18154 12457 1 17 . 1 1 29 29 GLN C C 29 176.547 176.547 177.028 -0.481 18154 12458 1 17 . 1 1 29 29 GLN CA C 29 56.563 56.563 56.899 -0.336 18154 12459 1 17 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.606 -0.196 18154 12460 1 17 . 1 1 29 29 GLN H H 29 7.353 7.353 8.283 -0.930 18154 12461 1 17 . 1 1 30 30 GLY N N 30 105.961 105.961 104.047 1.914 18154 12462 1 17 . 1 1 30 30 GLY C C 30 174.785 174.785 173.866 0.919 18154 12463 1 17 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.654 -0.154 18154 12464 1 17 . 1 1 30 30 GLY H H 30 7.923 7.923 7.684 0.239 18154 12465 1 17 . 1 1 31 31 HIS N N 31 119.471 119.471 118.897 0.574 18154 12466 1 17 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.735 0.100 18154 12467 1 17 . 1 1 31 31 HIS C C 31 174.665 174.665 173.800 0.865 18154 12468 1 17 . 1 1 31 31 HIS CA C 31 55.842 55.842 55.145 0.697 18154 12469 1 17 . 1 1 31 31 HIS CB C 31 32.000 32.000 32.046 -0.046 18154 12470 1 17 . 1 1 31 31 HIS H H 31 7.558 7.558 8.088 -0.530 18154 12471 1 17 . 1 1 32 32 LYS N N 32 121.854 121.854 121.151 0.703 18154 12472 1 17 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.565 0.158 18154 12473 1 17 . 1 1 32 32 LYS C C 32 174.466 174.466 174.411 0.055 18154 12474 1 17 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.650 0.215 18154 12475 1 17 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.537 0.423 18154 12476 1 17 . 1 1 32 32 LYS H H 32 8.665 8.665 8.887 -0.222 18154 12477 1 17 . 1 1 33 33 ALA N N 33 130.188 130.188 129.510 0.678 18154 12478 1 17 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.614 0.204 18154 12479 1 17 . 1 1 33 33 ALA C C 33 175.567 175.567 176.357 -0.790 18154 12480 1 17 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.649 -0.673 18154 12481 1 17 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.601 0.696 18154 12482 1 17 . 1 1 33 33 ALA H H 33 8.837 8.837 7.941 0.896 18154 12483 1 17 . 1 1 34 34 THR N N 34 117.164 117.164 116.120 1.044 18154 12484 1 17 . 1 1 34 34 THR HA H 34 4.359 4.359 4.566 -0.207 18154 12485 1 17 . 1 1 34 34 THR C C 34 171.315 171.315 172.845 -1.530 18154 12486 1 17 . 1 1 34 34 THR CA C 34 61.840 61.840 61.161 0.679 18154 12487 1 17 . 1 1 34 34 THR CB C 34 71.800 71.800 72.290 -0.490 18154 12488 1 17 . 1 1 34 34 THR H H 34 7.826 7.826 8.802 -0.976 18154 12489 1 17 . 1 1 35 35 VAL N N 35 126.650 126.650 122.323 4.327 18154 12490 1 17 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.560 -0.377 18154 12491 1 17 . 1 1 35 35 VAL C C 35 174.675 174.675 175.178 -0.503 18154 12492 1 17 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.628 0.300 18154 12493 1 17 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.630 0.020 18154 12494 1 17 . 1 1 35 35 VAL H H 35 8.496 8.496 8.308 0.188 18154 12495 1 17 . 1 1 36 36 PHE N N 36 127.630 127.630 125.808 1.822 18154 12496 1 17 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.695 -0.144 18154 12497 1 17 . 1 1 36 36 PHE C C 36 174.347 174.347 174.318 0.029 18154 12498 1 17 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.535 0.947 18154 12499 1 17 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.652 -0.487 18154 12500 1 17 . 1 1 36 36 PHE H H 36 9.164 9.164 9.237 -0.073 18154 12501 1 17 . 1 1 37 37 GLU N N 37 123.516 123.516 123.796 -0.280 18154 12502 1 17 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.357 0.113 18154 12503 1 17 . 1 1 37 37 GLU C C 37 175.954 175.954 176.161 -0.207 18154 12504 1 17 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.009 -0.290 18154 12505 1 17 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.785 0.675 18154 12506 1 17 . 1 1 37 37 GLU H H 37 8.455 8.455 8.688 -0.233 18154 12507 1 17 . 1 1 38 38 ASP N N 38 120.395 120.395 121.797 -1.402 18154 12508 1 17 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.332 0.501 18154 12509 1 17 . 1 1 38 38 ASP C C 38 173.920 173.920 174.376 -0.456 18154 12510 1 17 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.113 0.364 18154 12511 1 17 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.453 0.151 18154 12512 1 17 . 1 1 38 38 ASP H H 38 9.602 9.602 8.176 1.426 18154 12513 1 17 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.513 0.167 18154 12514 1 17 . 1 1 39 39 PRO C C 39 176.274 176.274 176.375 -0.101 18154 12515 1 17 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.689 -0.705 18154 12516 1 17 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.759 1.641 18154 12517 1 17 . 1 1 40 40 GLU N N 40 119.026 119.026 122.326 -3.300 18154 12518 1 17 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.460 0.268 18154 12519 1 17 . 1 1 40 40 GLU C C 40 177.827 177.827 177.451 0.376 18154 12520 1 17 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.221 -1.251 18154 12521 1 17 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.006 2.394 18154 12522 1 17 . 1 1 40 40 GLU H H 40 9.178 9.178 8.760 0.418 18154 12523 1 17 . 1 1 41 41 LEU N N 41 123.708 123.708 125.091 -1.383 18154 12524 1 17 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.144 -0.250 18154 12525 1 17 . 1 1 41 41 LEU C C 41 178.730 178.730 178.208 0.522 18154 12526 1 17 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.830 0.577 18154 12527 1 17 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.804 -0.151 18154 12528 1 17 . 1 1 41 41 LEU H H 41 9.160 9.160 8.818 0.342 18154 12529 1 17 . 1 1 42 42 SER N N 42 110.500 110.500 114.343 -3.843 18154 12530 1 17 . 1 1 42 42 SER HA H 42 4.010 4.010 4.286 -0.276 18154 12531 1 17 . 1 1 42 42 SER C C 42 176.300 176.300 175.051 1.249 18154 12532 1 17 . 1 1 42 42 SER CA C 42 61.600 61.600 60.769 0.831 18154 12533 1 17 . 1 1 42 42 SER CB C 42 62.140 62.140 62.800 -0.660 18154 12534 1 17 . 1 1 42 42 SER H H 42 8.415 8.415 8.568 -0.153 18154 12535 1 17 . 1 1 43 43 ASP N N 43 119.770 119.770 120.354 -0.584 18154 12536 1 17 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.799 -0.342 18154 12537 1 17 . 1 1 43 43 ASP C C 43 176.150 176.150 176.109 0.041 18154 12538 1 17 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.114 1.637 18154 12539 1 17 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.288 1.412 18154 12540 1 17 . 1 1 43 43 ASP H H 43 7.690 7.690 7.906 -0.216 18154 12541 1 17 . 1 1 44 44 TRP N N 44 118.500 118.500 121.204 -2.704 18154 12542 1 17 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.283 -0.073 18154 12543 1 17 . 1 1 44 44 TRP C C 44 177.150 177.150 177.595 -0.445 18154 12544 1 17 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.689 0.698 18154 12545 1 17 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.189 0.120 18154 12546 1 17 . 1 1 44 44 TRP H H 44 7.464 7.464 7.361 0.103 18154 12547 1 17 . 1 1 45 45 LEU N N 45 114.100 114.100 120.997 -6.897 18154 12548 1 17 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.057 0.118 18154 12549 1 17 . 1 1 45 45 LEU C C 45 176.300 176.300 175.617 0.683 18154 12550 1 17 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.251 -0.691 18154 12551 1 17 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.470 -0.250 18154 12552 1 17 . 1 1 45 45 LEU H H 45 7.550 7.550 8.373 -0.823 18154 12553 1 17 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.233 0.147 18154 12554 1 17 . 1 1 46 46 PRO C C 46 176.799 176.799 177.187 -0.388 18154 12555 1 17 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.749 0.538 18154 12556 1 17 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.059 0.541 18154 12557 1 17 . 1 1 47 47 TYR N N 47 113.790 113.790 115.879 -2.089 18154 12558 1 17 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.690 -0.570 18154 12559 1 17 . 1 1 47 47 TYR C C 47 175.730 175.730 177.660 -1.930 18154 12560 1 17 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.367 1.833 18154 12561 1 17 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.322 0.694 18154 12562 1 17 . 1 1 47 47 TYR H H 47 8.291 8.291 8.363 -0.072 18154 12563 1 17 . 1 1 48 48 GLN N N 48 116.524 116.524 120.365 -3.841 18154 12564 1 17 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.984 -0.099 18154 12565 1 17 . 1 1 48 48 GLN C C 48 174.381 174.381 176.452 -2.071 18154 12566 1 17 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.471 0.355 18154 12567 1 17 . 1 1 48 48 GLN CB C 48 31.000 31.000 29.124 1.876 18154 12568 1 17 . 1 1 48 48 GLN H H 48 7.300 7.300 7.478 -0.178 18154 12569 1 17 . 1 1 49 49 ASP N N 49 114.657 114.657 113.358 1.299 18154 12570 1 17 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.563 0.124 18154 12571 1 17 . 1 1 49 49 ASP C C 49 176.307 176.307 175.859 0.448 18154 12572 1 17 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.857 -2.122 18154 12573 1 17 . 1 1 49 49 ASP CB C 49 40.200 40.200 40.455 -0.254 18154 12574 1 17 . 1 1 49 49 ASP H H 49 7.854 7.854 8.396 -0.542 18154 12575 1 17 . 1 1 50 50 LYS N N 50 123.514 123.514 119.295 4.219 18154 12576 1 17 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.425 0.165 18154 12577 1 17 . 1 1 50 50 LYS C C 50 172.964 172.964 175.090 -2.126 18154 12578 1 17 . 1 1 50 50 LYS CA C 50 54.693 54.693 54.593 0.100 18154 12579 1 17 . 1 1 50 50 LYS CB C 50 33.355 33.355 34.083 -0.728 18154 12580 1 17 . 1 1 50 50 LYS H H 50 7.833 7.833 7.381 0.452 18154 12581 1 17 . 1 1 51 51 TYR N N 51 118.375 118.375 116.239 2.136 18154 12582 1 17 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.589 0.466 18154 12583 1 17 . 1 1 51 51 TYR C C 51 175.875 175.875 176.039 -0.164 18154 12584 1 17 . 1 1 51 51 TYR CA C 51 56.421 56.421 56.742 -0.321 18154 12585 1 17 . 1 1 51 51 TYR CB C 51 42.477 42.477 41.623 0.854 18154 12586 1 17 . 1 1 51 51 TYR H H 51 7.745 7.745 8.536 -0.791 18154 12587 1 17 . 1 1 52 52 VAL N N 52 112.527 112.527 115.099 -2.572 18154 12588 1 17 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.968 0.532 18154 12589 1 17 . 1 1 52 52 VAL C C 52 173.910 173.910 174.139 -0.229 18154 12590 1 17 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.779 -2.083 18154 12591 1 17 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.616 0.876 18154 12592 1 17 . 1 1 52 52 VAL H H 52 8.673 8.673 8.494 0.179 18154 12593 1 17 . 1 1 53 53 LEU N N 53 124.294 124.294 123.885 0.409 18154 12594 1 17 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.103 -0.203 18154 12595 1 17 . 1 1 53 53 LEU C C 53 175.070 175.070 174.347 0.723 18154 12596 1 17 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.483 -0.917 18154 12597 1 17 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.556 -1.326 18154 12598 1 17 . 1 1 53 53 LEU H H 53 9.137 9.137 9.152 -0.015 18154 12599 1 17 . 1 1 54 54 VAL N N 54 127.850 127.850 126.172 1.678 18154 12600 1 17 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.806 -0.296 18154 12601 1 17 . 1 1 54 54 VAL C C 54 174.030 174.030 174.505 -0.475 18154 12602 1 17 . 1 1 54 54 VAL CA C 54 61.825 61.825 60.768 1.057 18154 12603 1 17 . 1 1 54 54 VAL CB C 54 32.691 32.691 34.053 -1.362 18154 12604 1 17 . 1 1 54 54 VAL H H 54 8.619 8.619 8.545 0.074 18154 12605 1 17 . 1 1 55 55 VAL N N 55 127.181 127.181 127.691 -0.510 18154 12606 1 17 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.965 0.120 18154 12607 1 17 . 1 1 55 55 VAL C C 55 174.942 174.942 174.408 0.534 18154 12608 1 17 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.422 -0.353 18154 12609 1 17 . 1 1 55 55 VAL CB C 55 33.222 33.222 34.456 -1.234 18154 12610 1 17 . 1 1 55 55 VAL H H 55 8.578 8.578 8.375 0.203 18154 12611 1 17 . 1 1 56 56 THR N N 56 117.420 117.420 121.853 -4.433 18154 12612 1 17 . 1 1 56 56 THR HA H 56 5.590 5.590 4.682 0.908 18154 12613 1 17 . 1 1 56 56 THR C C 56 172.640 172.640 172.667 -0.027 18154 12614 1 17 . 1 1 56 56 THR CA C 56 59.359 59.359 60.944 -1.585 18154 12615 1 17 . 1 1 56 56 THR CB C 56 70.715 70.715 70.957 -0.242 18154 12616 1 17 . 1 1 56 56 THR H H 56 8.710 8.710 8.549 0.161 18154 12617 1 17 . 1 1 57 57 SER HA H 57 5.250 5.250 5.033 0.217 18154 12618 1 17 . 1 1 57 57 SER CA C 57 57.730 57.730 57.590 0.140 18154 12619 1 17 . 1 1 57 57 SER CB C 57 64.500 64.500 65.387 -0.887 18154 12620 1 17 . 1 1 57 57 SER H H 57 8.075 8.075 8.715 -0.640 18154 12621 1 17 . 1 1 58 58 THR H H 58 7.900 7.900 8.770 -0.870 18154 12622 1 17 . 1 1 59 59 THR HA H 59 4.900 4.900 4.030 0.870 18154 12623 1 17 . 1 1 59 59 THR CA C 59 61.200 61.200 64.550 -3.350 18154 12624 1 17 . 1 1 59 59 THR CB C 59 73.400 73.400 69.158 4.242 18154 12625 1 17 . 1 1 59 59 THR H H 59 9.230 9.230 7.723 1.507 18154 12626 1 17 . 1 1 60 60 GLY CA C 60 46.500 46.500 44.256 2.244 18154 12627 1 17 . 1 1 61 61 GLN HA H 61 4.406 4.406 3.982 0.424 18154 12628 1 17 . 1 1 61 61 GLN C C 61 175.950 175.950 175.894 0.056 18154 12629 1 17 . 1 1 61 61 GLN CA C 61 55.350 55.350 56.813 -1.463 18154 12630 1 17 . 1 1 61 61 GLN CB C 61 29.160 29.160 27.739 1.421 18154 12631 1 17 . 1 1 62 62 GLY N N 62 108.420 108.420 103.787 4.633 18154 12632 1 17 . 1 1 62 62 GLY C C 62 173.134 173.134 174.044 -0.910 18154 12633 1 17 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.758 1.026 18154 12634 1 17 . 1 1 62 62 GLY H H 62 8.073 8.073 8.469 -0.396 18154 12635 1 17 . 1 1 63 63 ASP N N 63 118.400 118.400 120.276 -1.876 18154 12636 1 17 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.767 0.013 18154 12637 1 17 . 1 1 63 63 ASP CA C 63 53.296 53.296 52.744 0.552 18154 12638 1 17 . 1 1 63 63 ASP CB C 63 42.740 42.740 42.432 0.308 18154 12639 1 17 . 1 1 63 63 ASP H H 63 7.248 7.248 7.892 -0.644 18154 12640 1 17 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.535 -0.135 18154 12641 1 17 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.683 1.467 18154 12642 1 17 . 1 1 64 64 LEU CB C 64 41.687 41.687 43.235 -1.548 18154 12643 1 17 . 1 1 64 64 LEU H H 64 8.445 8.445 7.956 0.489 18154 12644 1 17 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.354 -0.061 18154 12645 1 17 . 1 1 65 65 PRO CA C 65 62.344 62.344 63.189 -0.845 18154 12646 1 17 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.527 -0.047 18154 12647 1 17 . 1 1 66 66 ASP N N 66 121.200 121.200 121.826 -0.626 18154 12648 1 17 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.300 -0.040 18154 12649 1 17 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.517 1.113 18154 12650 1 17 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.637 0.163 18154 12651 1 17 . 1 1 66 66 ASP H H 66 8.605 8.605 8.768 -0.163 18154 12652 1 17 . 1 1 67 67 SER HA H 67 4.292 4.292 4.249 0.043 18154 12653 1 17 . 1 1 67 67 SER C C 67 175.650 175.650 175.350 0.300 18154 12654 1 17 . 1 1 67 67 SER CA C 67 60.500 60.500 60.614 -0.114 18154 12655 1 17 . 1 1 67 67 SER CB C 67 63.530 63.530 63.732 -0.202 18154 12656 1 17 . 1 1 68 68 ILE N N 68 120.550 120.550 121.191 -0.641 18154 12657 1 17 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.419 0.691 18154 12658 1 17 . 1 1 68 68 ILE C C 68 174.713 174.713 176.672 -1.959 18154 12659 1 17 . 1 1 68 68 ILE CA C 68 60.400 60.400 61.144 -0.744 18154 12660 1 17 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.140 4.100 18154 12661 1 17 . 1 1 68 68 ILE H H 68 7.870 7.870 7.577 0.293 18154 12662 1 17 . 1 1 69 69 VAL N N 69 125.740 125.740 123.469 2.271 18154 12663 1 17 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.710 0.035 18154 12664 1 17 . 1 1 69 69 VAL C C 69 174.500 174.500 174.878 -0.378 18154 12665 1 17 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.538 -0.988 18154 12666 1 17 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.172 0.958 18154 12667 1 17 . 1 1 69 69 VAL H H 69 7.428 7.428 8.578 -1.150 18154 12668 1 17 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.331 -0.039 18154 12669 1 17 . 1 1 70 70 PRO C C 70 180.820 180.820 178.586 2.234 18154 12670 1 17 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.100 0.370 18154 12671 1 17 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.245 -0.588 18154 12672 1 17 . 1 1 71 71 LEU N N 71 119.467 119.467 119.954 -0.487 18154 12673 1 17 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.012 -0.167 18154 12674 1 17 . 1 1 71 71 LEU C C 71 176.489 176.489 178.387 -1.898 18154 12675 1 17 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.858 0.349 18154 12676 1 17 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.765 -0.279 18154 12677 1 17 . 1 1 71 71 LEU H H 71 7.918 7.918 7.605 0.313 18154 12678 1 17 . 1 1 72 72 PHE N N 72 119.361 119.361 119.582 -0.221 18154 12679 1 17 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.315 -0.170 18154 12680 1 17 . 1 1 72 72 PHE C C 72 175.968 175.968 177.086 -1.118 18154 12681 1 17 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.779 0.042 18154 12682 1 17 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.695 0.852 18154 12683 1 17 . 1 1 72 72 PHE H H 72 7.903 7.903 8.805 -0.902 18154 12684 1 17 . 1 1 73 73 GLN N N 73 116.100 116.100 116.757 -0.657 18154 12685 1 17 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.766 -0.239 18154 12686 1 17 . 1 1 73 73 GLN C C 73 177.871 177.871 178.545 -0.674 18154 12687 1 17 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.931 -0.791 18154 12688 1 17 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.492 -0.345 18154 12689 1 17 . 1 1 73 73 GLN H H 73 9.042 9.042 8.609 0.433 18154 12690 1 17 . 1 1 74 74 GLY N N 74 107.110 107.110 108.586 -1.476 18154 12691 1 17 . 1 1 74 74 GLY C C 74 175.894 175.894 176.127 -0.233 18154 12692 1 17 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.921 0.359 18154 12693 1 17 . 1 1 74 74 GLY H H 74 8.045 8.045 8.171 -0.126 18154 12694 1 17 . 1 1 75 75 ILE N N 75 123.629 123.629 122.753 0.876 18154 12695 1 17 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.342 -0.292 18154 12696 1 17 . 1 1 75 75 ILE C C 75 178.622 178.622 177.120 1.502 18154 12697 1 17 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.884 0.373 18154 12698 1 17 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.444 0.524 18154 12699 1 17 . 1 1 75 75 ILE H H 75 8.174 8.174 8.045 0.129 18154 12700 1 17 . 1 1 76 76 LYS N N 76 119.363 119.363 118.693 0.670 18154 12701 1 17 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.748 -0.443 18154 12702 1 17 . 1 1 76 76 LYS C C 76 177.909 177.909 178.238 -0.329 18154 12703 1 17 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.295 0.410 18154 12704 1 17 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.889 0.461 18154 12705 1 17 . 1 1 76 76 LYS H H 76 7.600 7.600 7.425 0.175 18154 12706 1 17 . 1 1 77 77 ASP N N 77 115.190 115.190 118.026 -2.836 18154 12707 1 17 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.549 -0.067 18154 12708 1 17 . 1 1 77 77 ASP C C 77 178.825 178.825 178.062 0.763 18154 12709 1 17 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.099 0.181 18154 12710 1 17 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.690 -0.500 18154 12711 1 17 . 1 1 77 77 ASP H H 77 8.482 8.482 8.220 0.262 18154 12712 1 17 . 1 1 78 78 SER N N 78 112.576 112.576 115.867 -3.291 18154 12713 1 17 . 1 1 78 78 SER HA H 78 4.728 4.728 4.375 0.353 18154 12714 1 17 . 1 1 78 78 SER C C 78 174.556 174.556 175.004 -0.448 18154 12715 1 17 . 1 1 78 78 SER CA C 78 60.045 60.045 59.867 0.178 18154 12716 1 17 . 1 1 78 78 SER CB C 78 64.643 64.643 64.004 0.639 18154 12717 1 17 . 1 1 78 78 SER H H 78 8.273 8.273 7.979 0.294 18154 12718 1 17 . 1 1 79 79 LEU N N 79 120.833 120.833 121.140 -0.307 18154 12719 1 17 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.388 0.427 18154 12720 1 17 . 1 1 79 79 LEU C C 79 176.251 176.251 178.747 -2.496 18154 12721 1 17 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.231 -2.271 18154 12722 1 17 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.157 -2.961 18154 12723 1 17 . 1 1 79 79 LEU H H 79 7.025 7.025 7.597 -0.572 18154 12724 1 17 . 1 1 80 80 GLY N N 80 108.861 108.861 106.951 1.910 18154 12725 1 17 . 1 1 80 80 GLY C C 80 173.623 173.623 173.634 -0.011 18154 12726 1 17 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.420 -0.191 18154 12727 1 17 . 1 1 80 80 GLY H H 80 7.499 7.499 8.188 -0.689 18154 12728 1 17 . 1 1 81 81 PHE N N 81 121.441 121.441 119.372 2.069 18154 12729 1 17 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.680 0.380 18154 12730 1 17 . 1 1 81 81 PHE C C 81 174.411 174.411 172.417 1.994 18154 12731 1 17 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.189 0.022 18154 12732 1 17 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.919 -1.300 18154 12733 1 17 . 1 1 81 81 PHE H H 81 8.018 8.018 7.365 0.653 18154 12734 1 17 . 1 1 82 82 GLN N N 82 126.480 126.480 120.986 5.494 18154 12735 1 17 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.739 0.151 18154 12736 1 17 . 1 1 82 82 GLN C C 82 172.700 172.700 173.686 -0.986 18154 12737 1 17 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.152 2.025 18154 12738 1 17 . 1 1 82 82 GLN CB C 82 32.600 32.600 31.134 1.466 18154 12739 1 17 . 1 1 82 82 GLN H H 82 9.588 9.588 7.302 2.286 18154 12740 1 17 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.338 0.035 18154 12741 1 17 . 1 1 83 83 PRO C C 83 178.163 178.163 176.648 1.515 18154 12742 1 17 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.506 -0.815 18154 12743 1 17 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.548 -0.683 18154 12744 1 17 . 1 1 84 84 ASN N N 84 116.900 116.900 115.428 1.472 18154 12745 1 17 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.754 0.015 18154 12746 1 17 . 1 1 84 84 ASN C C 84 173.332 173.332 173.574 -0.242 18154 12747 1 17 . 1 1 84 84 ASN CA C 84 52.560 52.560 53.116 -0.556 18154 12748 1 17 . 1 1 84 84 ASN CB C 84 39.260 39.260 39.993 -0.734 18154 12749 1 17 . 1 1 84 84 ASN H H 84 8.578 8.578 7.988 0.590 18154 12750 1 17 . 1 1 85 85 LEU N N 85 124.380 124.380 122.217 2.163 18154 12751 1 17 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.178 -0.132 18154 12752 1 17 . 1 1 85 85 LEU C C 85 175.880 175.880 175.761 0.119 18154 12753 1 17 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.992 0.850 18154 12754 1 17 . 1 1 85 85 LEU CB C 85 42.300 42.300 42.978 -0.678 18154 12755 1 17 . 1 1 85 85 LEU H H 85 7.240 7.240 7.554 -0.314 18154 12756 1 17 . 1 1 86 86 ARG N N 86 128.715 128.715 123.880 4.835 18154 12757 1 17 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.385 0.409 18154 12758 1 17 . 1 1 86 86 ARG C C 86 175.554 175.554 175.055 0.499 18154 12759 1 17 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.627 0.815 18154 12760 1 17 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.940 -1.067 18154 12761 1 17 . 1 1 86 86 ARG H H 86 7.732 7.732 7.945 -0.213 18154 12762 1 17 . 1 1 87 87 TYR N N 87 117.420 117.420 120.316 -2.896 18154 12763 1 17 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.560 1.205 18154 12764 1 17 . 1 1 87 87 TYR C C 87 172.931 172.931 173.163 -0.232 18154 12765 1 17 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.565 -1.304 18154 12766 1 17 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.715 3.223 18154 12767 1 17 . 1 1 87 87 TYR H H 87 8.783 8.783 8.410 0.373 18154 12768 1 17 . 1 1 88 88 GLY N N 88 107.765 107.765 105.328 2.437 18154 12769 1 17 . 1 1 88 88 GLY C C 88 172.621 172.621 171.135 1.486 18154 12770 1 17 . 1 1 88 88 GLY CA C 88 43.861 43.861 43.028 0.833 18154 12771 1 17 . 1 1 88 88 GLY H H 88 8.905 8.905 8.385 0.520 18154 12772 1 17 . 1 1 89 89 VAL N N 89 118.180 118.180 118.331 -0.151 18154 12773 1 17 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.503 0.498 18154 12774 1 17 . 1 1 89 89 VAL C C 89 172.939 172.939 173.714 -0.775 18154 12775 1 17 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.610 0.389 18154 12776 1 17 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.532 0.866 18154 12777 1 17 . 1 1 89 89 VAL H H 89 7.499 7.499 8.185 -0.686 18154 12778 1 17 . 1 1 90 90 ILE N N 90 125.000 125.000 125.802 -0.802 18154 12779 1 17 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.043 0.084 18154 12780 1 17 . 1 1 90 90 ILE C C 90 173.099 173.099 173.620 -0.521 18154 12781 1 17 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.793 0.695 18154 12782 1 17 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.068 0.330 18154 12783 1 17 . 1 1 90 90 ILE H H 90 8.810 8.810 8.747 0.063 18154 12784 1 17 . 1 1 91 91 ALA N N 91 129.036 129.036 129.706 -0.670 18154 12785 1 17 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.334 -0.008 18154 12786 1 17 . 1 1 91 91 ALA C C 91 174.000 174.000 175.733 -1.733 18154 12787 1 17 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.642 -0.643 18154 12788 1 17 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.176 0.924 18154 12789 1 17 . 1 1 91 91 ALA H H 91 9.253 9.253 8.935 0.318 18154 12790 1 17 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.092 -0.161 18154 12791 1 17 . 1 1 92 92 LEU C C 92 177.366 177.366 176.916 0.450 18154 12792 1 17 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.272 0.645 18154 12793 1 17 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.259 -2.859 18154 12794 1 17 . 1 1 93 93 GLY N N 93 110.663 110.663 108.883 1.780 18154 12795 1 17 . 1 1 93 93 GLY C C 93 172.029 172.029 171.877 0.152 18154 12796 1 17 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.977 -0.247 18154 12797 1 17 . 1 1 93 93 GLY H H 93 8.687 8.687 8.818 -0.131 18154 12798 1 17 . 1 1 94 94 ASP N N 94 119.304 119.304 120.678 -1.374 18154 12799 1 17 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.462 -0.202 18154 12800 1 17 . 1 1 94 94 ASP C C 94 176.978 176.978 176.948 0.030 18154 12801 1 17 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.092 1.515 18154 12802 1 17 . 1 1 94 94 ASP CB C 94 43.000 43.000 42.422 0.578 18154 12803 1 17 . 1 1 94 94 ASP H H 94 8.129 8.129 8.366 -0.237 18154 12804 1 17 . 1 1 95 95 SER N N 95 123.897 123.897 122.433 1.464 18154 12805 1 17 . 1 1 95 95 SER HA H 95 3.895 3.895 4.069 -0.174 18154 12806 1 17 . 1 1 95 95 SER C C 95 175.243 175.243 175.096 0.147 18154 12807 1 17 . 1 1 95 95 SER CA C 95 60.183 60.183 58.828 1.355 18154 12808 1 17 . 1 1 95 95 SER CB C 95 61.700 61.700 62.468 -0.768 18154 12809 1 17 . 1 1 95 95 SER H H 95 8.878 8.878 9.302 -0.424 18154 12810 1 17 . 1 1 96 96 SER N N 96 119.248 119.248 116.261 2.987 18154 12811 1 17 . 1 1 96 96 SER HA H 96 4.209 4.209 4.265 -0.056 18154 12812 1 17 . 1 1 96 96 SER C C 96 173.900 173.900 175.357 -1.457 18154 12813 1 17 . 1 1 96 96 SER CA C 96 60.197 60.197 59.301 0.896 18154 12814 1 17 . 1 1 96 96 SER CB C 96 63.000 63.000 63.403 -0.403 18154 12815 1 17 . 1 1 96 96 SER H H 96 9.124 9.124 8.266 0.858 18154 12816 1 17 . 1 1 97 97 TYR N N 97 120.889 120.889 121.334 -0.445 18154 12817 1 17 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.387 0.501 18154 12818 1 17 . 1 1 97 97 TYR C C 97 175.972 175.972 177.622 -1.650 18154 12819 1 17 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.854 -3.104 18154 12820 1 17 . 1 1 97 97 TYR CB C 97 39.820 39.820 38.998 0.822 18154 12821 1 17 . 1 1 97 97 TYR H H 97 7.664 7.664 7.872 -0.208 18154 12822 1 17 . 1 1 98 98 VAL N N 98 116.952 116.952 120.546 -3.594 18154 12823 1 17 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.813 0.247 18154 12824 1 17 . 1 1 98 98 VAL C C 98 175.969 175.969 176.693 -0.724 18154 12825 1 17 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.085 -2.245 18154 12826 1 17 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.478 1.122 18154 12827 1 17 . 1 1 98 98 VAL H H 98 7.970 7.970 8.480 -0.510 18154 12828 1 17 . 1 1 99 99 ASN N N 99 118.156 118.156 118.048 0.108 18154 12829 1 17 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.769 -0.258 18154 12830 1 17 . 1 1 99 99 ASN C C 99 174.329 174.329 174.267 0.062 18154 12831 1 17 . 1 1 99 99 ASN CA C 99 53.031 53.031 51.869 1.162 18154 12832 1 17 . 1 1 99 99 ASN CB C 99 37.238 37.238 36.313 0.925 18154 12833 1 17 . 1 1 99 99 ASN H H 99 8.296 8.296 8.379 -0.083 18154 12834 1 17 . 1 1 100 100 PHE N N 100 118.649 118.649 122.613 -3.964 18154 12835 1 17 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.326 0.089 18154 12836 1 17 . 1 1 100 100 PHE C C 100 174.400 174.400 176.000 -1.600 18154 12837 1 17 . 1 1 100 100 PHE CA C 100 58.190 58.190 60.029 -1.839 18154 12838 1 17 . 1 1 100 100 PHE CB C 100 39.679 39.679 39.432 0.247 18154 12839 1 17 . 1 1 100 100 PHE H H 100 7.855 7.855 7.758 0.097 18154 12840 1 17 . 1 1 101 101 CYS HA H 101 3.585 3.585 3.718 -0.133 18154 12841 1 17 . 1 1 101 101 CYS CA C 101 62.740 62.740 60.053 2.687 18154 12842 1 17 . 1 1 101 101 CYS CB C 101 26.000 26.000 25.662 0.338 18154 12843 1 17 . 1 1 101 101 CYS H H 101 9.240 9.240 8.704 0.536 18154 12844 1 17 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.364 -0.144 18154 12845 1 17 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.045 1.155 18154 12846 1 17 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.692 -0.092 18154 12847 1 17 . 1 1 102 102 ASN H H 102 8.300 8.300 7.962 0.338 18154 12848 1 17 . 1 1 103 103 GLY C C 103 175.690 175.690 175.714 -0.024 18154 12849 1 17 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.071 0.279 18154 12850 1 17 . 1 1 104 104 GLY N N 104 106.150 106.150 109.867 -3.717 18154 12851 1 17 . 1 1 104 104 GLY C C 104 174.570 174.570 176.218 -1.648 18154 12852 1 17 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.443 0.907 18154 12853 1 17 . 1 1 104 104 GLY H H 104 7.108 7.108 7.627 -0.519 18154 12854 1 17 . 1 1 105 105 LYS N N 105 120.732 120.732 122.424 -1.692 18154 12855 1 17 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.952 -0.015 18154 12856 1 17 . 1 1 105 105 LYS C C 105 179.706 179.706 179.052 0.654 18154 12857 1 17 . 1 1 105 105 LYS CA C 105 60.308 60.308 60.014 0.294 18154 12858 1 17 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.230 -0.433 18154 12859 1 17 . 1 1 105 105 LYS H H 105 7.708 7.708 7.591 0.117 18154 12860 1 17 . 1 1 106 106 GLN N N 106 119.087 119.087 118.578 0.509 18154 12861 1 17 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.150 -0.008 18154 12862 1 17 . 1 1 106 106 GLN C C 106 179.418 179.418 178.782 0.636 18154 12863 1 17 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.440 0.435 18154 12864 1 17 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.226 0.533 18154 12865 1 17 . 1 1 106 106 GLN H H 106 8.738 8.738 8.414 0.324 18154 12866 1 17 . 1 1 107 107 PHE N N 107 123.088 123.088 120.671 2.417 18154 12867 1 17 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.406 -0.156 18154 12868 1 17 . 1 1 107 107 PHE C C 107 178.403 178.403 177.829 0.574 18154 12869 1 17 . 1 1 107 107 PHE CA C 107 62.185 62.185 62.283 -0.098 18154 12870 1 17 . 1 1 107 107 PHE CB C 107 39.451 39.451 39.103 0.348 18154 12871 1 17 . 1 1 107 107 PHE H H 107 7.922 7.922 8.302 -0.380 18154 12872 1 17 . 1 1 108 108 ASP N N 108 117.118 117.118 120.371 -3.253 18154 12873 1 17 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.655 -0.281 18154 12874 1 17 . 1 1 108 108 ASP C C 108 176.973 176.973 178.341 -1.368 18154 12875 1 17 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.422 1.007 18154 12876 1 17 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.016 3.107 18154 12877 1 17 . 1 1 108 108 ASP H H 108 8.305 8.305 8.480 -0.175 18154 12878 1 17 . 1 1 109 109 ALA N N 109 118.590 118.590 122.184 -3.594 18154 12879 1 17 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.140 -0.090 18154 12880 1 17 . 1 1 109 109 ALA C C 109 180.430 180.430 179.754 0.676 18154 12881 1 17 . 1 1 109 109 ALA CA C 109 55.196 55.196 54.880 0.316 18154 12882 1 17 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.365 -0.258 18154 12883 1 17 . 1 1 109 109 ALA H H 109 8.332 8.332 8.175 0.157 18154 12884 1 17 . 1 1 110 110 LEU N N 110 120.402 120.402 120.524 -0.122 18154 12885 1 17 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.851 0.234 18154 12886 1 17 . 1 1 110 110 LEU C C 110 177.801 177.801 178.876 -1.075 18154 12887 1 17 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.512 0.128 18154 12888 1 17 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.918 0.838 18154 12889 1 17 . 1 1 110 110 LEU H H 110 7.868 7.868 7.715 0.153 18154 12890 1 17 . 1 1 111 111 LEU N N 111 116.945 116.945 116.867 0.078 18154 12891 1 17 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.723 -0.005 18154 12892 1 17 . 1 1 111 111 LEU C C 111 179.838 179.838 179.127 0.711 18154 12893 1 17 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.810 0.154 18154 12894 1 17 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.032 -2.172 18154 12895 1 17 . 1 1 111 111 LEU H H 111 7.704 7.704 7.522 0.182 18154 12896 1 17 . 1 1 112 112 GLN N N 112 118.484 118.484 116.568 1.916 18154 12897 1 17 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.202 -0.061 18154 12898 1 17 . 1 1 112 112 GLN C C 112 181.218 181.218 178.327 2.891 18154 12899 1 17 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.854 1.112 18154 12900 1 17 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.349 0.911 18154 12901 1 17 . 1 1 112 112 GLN H H 112 8.441 8.441 7.939 0.502 18154 12902 1 17 . 1 1 113 113 GLU N N 113 122.905 122.905 117.665 5.240 18154 12903 1 17 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.112 0.069 18154 12904 1 17 . 1 1 113 113 GLU C C 113 178.001 178.001 177.511 0.490 18154 12905 1 17 . 1 1 113 113 GLU CA C 113 58.985 58.985 58.018 0.967 18154 12906 1 17 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.407 -0.137 18154 12907 1 17 . 1 1 113 113 GLU H H 113 8.305 8.305 7.869 0.436 18154 12908 1 17 . 1 1 114 114 GLN N N 114 117.332 117.332 118.923 -1.591 18154 12909 1 17 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.267 0.328 18154 12910 1 17 . 1 1 114 114 GLN C C 114 174.538 174.538 177.083 -2.545 18154 12911 1 17 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.762 -1.345 18154 12912 1 17 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.487 -4.657 18154 12913 1 17 . 1 1 114 114 GLN H H 114 7.520 7.520 7.598 -0.078 18154 12914 1 17 . 1 1 115 115 SER N N 115 109.100 109.100 108.990 0.110 18154 12915 1 17 . 1 1 115 115 SER HA H 115 4.200 4.200 4.438 -0.238 18154 12916 1 17 . 1 1 115 115 SER C C 115 172.302 172.302 173.745 -1.443 18154 12917 1 17 . 1 1 115 115 SER CA C 115 60.400 60.400 58.382 2.018 18154 12918 1 17 . 1 1 115 115 SER CB C 115 61.325 61.325 64.401 -3.076 18154 12919 1 17 . 1 1 115 115 SER H H 115 7.950 7.950 8.087 -0.137 18154 12920 1 17 . 1 1 116 116 ALA N N 116 121.059 121.059 126.350 -5.291 18154 12921 1 17 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.114 0.680 18154 12922 1 17 . 1 1 116 116 ALA C C 116 176.774 176.774 176.269 0.505 18154 12923 1 17 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.824 -1.134 18154 12924 1 17 . 1 1 116 116 ALA CB C 116 21.365 21.365 19.961 1.404 18154 12925 1 17 . 1 1 116 116 ALA H H 116 7.813 7.813 7.500 0.313 18154 12926 1 17 . 1 1 117 117 GLN N N 117 118.000 118.000 120.469 -2.469 18154 12927 1 17 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.603 0.015 18154 12928 1 17 . 1 1 117 117 GLN C C 117 173.769 173.769 175.598 -1.829 18154 12929 1 17 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.952 -0.396 18154 12930 1 17 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.259 -0.524 18154 12931 1 17 . 1 1 117 117 GLN H H 117 8.591 8.591 8.456 0.135 18154 12932 1 17 . 1 1 118 118 ARG N N 118 127.947 127.947 121.029 6.918 18154 12933 1 17 . 1 1 118 118 ARG HA H 118 3.308 3.308 5.208 -1.900 18154 12934 1 17 . 1 1 118 118 ARG C C 118 176.758 176.758 175.475 1.283 18154 12935 1 17 . 1 1 118 118 ARG CA C 118 56.186 56.186 55.109 1.077 18154 12936 1 17 . 1 1 118 118 ARG CB C 118 30.310 30.310 32.820 -2.510 18154 12937 1 17 . 1 1 118 118 ARG H H 118 8.659 8.659 8.646 0.013 18154 12938 1 17 . 1 1 119 119 VAL N N 119 131.939 131.939 121.399 10.540 18154 12939 1 17 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.527 -0.414 18154 12940 1 17 . 1 1 119 119 VAL C C 119 176.775 176.775 176.361 0.414 18154 12941 1 17 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.732 0.442 18154 12942 1 17 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.468 -1.074 18154 12943 1 17 . 1 1 119 119 VAL H H 119 9.520 9.520 8.906 0.614 18154 12944 1 17 . 1 1 120 120 GLY N N 120 116.074 116.074 115.099 0.975 18154 12945 1 17 . 1 1 120 120 GLY C C 120 172.757 172.757 173.917 -1.160 18154 12946 1 17 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.059 -1.161 18154 12947 1 17 . 1 1 120 120 GLY H H 120 8.755 8.755 8.500 0.255 18154 12948 1 17 . 1 1 121 121 GLU N N 121 118.754 118.754 120.048 -1.294 18154 12949 1 17 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.767 -0.101 18154 12950 1 17 . 1 1 121 121 GLU C C 121 177.419 177.419 176.798 0.621 18154 12951 1 17 . 1 1 121 121 GLU CA C 121 54.491 54.491 54.850 -0.359 18154 12952 1 17 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.920 0.578 18154 12953 1 17 . 1 1 121 121 GLU H H 121 8.594 8.594 8.546 0.048 18154 12954 1 17 . 1 1 122 122 MET N N 122 122.642 122.642 120.444 2.198 18154 12955 1 17 . 1 1 122 122 MET HA H 122 4.415 4.415 4.951 -0.536 18154 12956 1 17 . 1 1 122 122 MET C C 122 175.351 175.351 174.841 0.510 18154 12957 1 17 . 1 1 122 122 MET CA C 122 57.024 57.024 54.472 2.552 18154 12958 1 17 . 1 1 122 122 MET CB C 122 34.210 34.210 33.607 0.603 18154 12959 1 17 . 1 1 122 122 MET H H 122 8.892 8.892 8.556 0.336 18154 12960 1 17 . 1 1 123 123 LEU N N 123 129.535 129.535 122.074 7.461 18154 12961 1 17 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.429 -0.079 18154 12962 1 17 . 1 1 123 123 LEU C C 123 173.124 173.124 174.485 -1.361 18154 12963 1 17 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.005 0.734 18154 12964 1 17 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.727 -1.649 18154 12965 1 17 . 1 1 123 123 LEU H H 123 7.868 7.868 7.346 0.522 18154 12966 1 17 . 1 1 124 124 LEU N N 124 127.120 127.120 125.930 1.190 18154 12967 1 17 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.646 0.409 18154 12968 1 17 . 1 1 124 124 LEU C C 124 176.379 176.379 176.203 0.176 18154 12969 1 17 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.081 0.469 18154 12970 1 17 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.518 -1.140 18154 12971 1 17 . 1 1 124 124 LEU H H 124 8.346 8.346 8.252 0.094 18154 12972 1 17 . 1 1 125 125 ILE N N 125 124.337 124.337 125.120 -0.783 18154 12973 1 17 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.327 -0.147 18154 12974 1 17 . 1 1 125 125 ILE C C 125 174.303 174.303 175.104 -0.801 18154 12975 1 17 . 1 1 125 125 ILE CA C 125 61.100 61.100 61.902 -0.802 18154 12976 1 17 . 1 1 125 125 ILE CB C 125 39.943 39.943 39.920 0.023 18154 12977 1 17 . 1 1 125 125 ILE H H 125 8.974 8.974 8.637 0.337 18154 12978 1 17 . 1 1 126 126 ASP N N 126 127.113 127.113 128.742 -1.629 18154 12979 1 17 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.451 -0.336 18154 12980 1 17 . 1 1 126 126 ASP C C 126 176.766 176.766 176.222 0.544 18154 12981 1 17 . 1 1 126 126 ASP CA C 126 51.847 51.847 51.955 -0.108 18154 12982 1 17 . 1 1 126 126 ASP CB C 126 41.100 41.100 42.313 -1.213 18154 12983 1 17 . 1 1 126 126 ASP H H 126 9.397 9.397 8.471 0.926 18154 12984 1 17 . 1 1 127 127 ALA N N 127 131.178 131.178 130.885 0.293 18154 12985 1 17 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.569 -0.253 18154 12986 1 17 . 1 1 127 127 ALA C C 127 178.530 178.530 178.695 -0.165 18154 12987 1 17 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.023 -0.175 18154 12988 1 17 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.174 -0.383 18154 12989 1 17 . 1 1 127 127 ALA H H 127 9.696 9.696 9.183 0.513 18154 12990 1 17 . 1 1 128 128 SER N N 128 112.064 112.064 113.150 -1.086 18154 12991 1 17 . 1 1 128 128 SER HA H 128 4.224 4.224 4.329 -0.105 18154 12992 1 17 . 1 1 128 128 SER C C 128 175.000 175.000 175.480 -0.480 18154 12993 1 17 . 1 1 128 128 SER CA C 128 61.246 61.246 60.501 0.745 18154 12994 1 17 . 1 1 128 128 SER CB C 128 63.310 63.310 63.589 -0.279 18154 12995 1 17 . 1 1 128 128 SER H H 128 8.373 8.373 8.128 0.245 18154 12996 1 17 . 1 1 129 129 GLU N N 129 119.468 119.468 119.790 -0.322 18154 12997 1 17 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.428 -0.028 18154 12998 1 17 . 1 1 129 129 GLU C C 129 175.947 175.947 176.044 -0.097 18154 12999 1 17 . 1 1 129 129 GLU CA C 129 56.415 56.415 57.005 -0.590 18154 13000 1 17 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.517 0.213 18154 13001 1 17 . 1 1 129 129 GLU H H 129 7.267 7.267 7.591 -0.324 18154 13002 1 17 . 1 1 130 130 ASN N N 130 115.968 115.968 117.721 -1.753 18154 13003 1 17 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.113 0.053 18154 13004 1 17 . 1 1 130 130 ASN C C 130 172.000 172.000 173.824 -1.824 18154 13005 1 17 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.873 -0.650 18154 13006 1 17 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.846 -0.180 18154 13007 1 17 . 1 1 130 130 ASN H H 130 8.072 8.072 8.091 -0.019 18154 13008 1 17 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.513 0.037 18154 13009 1 17 . 1 1 131 131 PRO C C 131 176.400 176.400 176.113 0.287 18154 13010 1 17 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.416 0.084 18154 13011 1 17 . 1 1 131 131 PRO CB C 131 32.300 32.300 32.129 0.171 18154 13012 1 17 . 1 1 132 132 GLU N N 132 119.000 119.000 118.489 0.511 18154 13013 1 17 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.748 0.272 18154 13014 1 17 . 1 1 132 132 GLU C C 132 174.200 174.200 175.496 -1.296 18154 13015 1 17 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.228 -0.228 18154 13016 1 17 . 1 1 132 132 GLU CB C 132 29.700 29.700 28.715 0.985 18154 13017 1 17 . 1 1 132 132 GLU H H 132 7.690 7.690 8.300 -0.610 18154 13018 1 17 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.189 -0.189 18154 13019 1 17 . 1 1 133 133 PRO C C 133 177.391 177.391 178.285 -0.894 18154 13020 1 17 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.159 0.310 18154 13021 1 17 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.879 0.266 18154 13022 1 17 . 1 1 134 134 GLU N N 134 122.846 122.846 117.671 5.175 18154 13023 1 17 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.138 1.082 18154 13024 1 17 . 1 1 134 134 GLU C C 134 178.385 178.385 178.445 -0.060 18154 13025 1 17 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.049 -1.457 18154 13026 1 17 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.165 -1.575 18154 13027 1 17 . 1 1 134 134 GLU H H 134 10.707 10.707 8.627 2.080 18154 13028 1 17 . 1 1 135 135 THR N N 135 113.016 113.016 112.182 0.834 18154 13029 1 17 . 1 1 135 135 THR HA H 135 4.182 4.182 4.159 0.023 18154 13030 1 17 . 1 1 135 135 THR C C 135 176.460 176.460 175.883 0.577 18154 13031 1 17 . 1 1 135 135 THR CA C 135 64.752 64.752 65.096 -0.344 18154 13032 1 17 . 1 1 135 135 THR CB C 135 69.248 69.248 68.766 0.482 18154 13033 1 17 . 1 1 135 135 THR H H 135 8.168 8.168 8.195 -0.027 18154 13034 1 17 . 1 1 136 136 GLU N N 136 118.978 118.978 121.674 -2.696 18154 13035 1 17 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.365 0.199 18154 13036 1 17 . 1 1 136 136 GLU C C 136 178.370 178.370 178.583 -0.213 18154 13037 1 17 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.740 -1.827 18154 13038 1 17 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.241 1.859 18154 13039 1 17 . 1 1 136 136 GLU H H 136 7.680 7.680 7.797 -0.117 18154 13040 1 17 . 1 1 137 137 SER N N 137 116.501 116.501 115.681 0.820 18154 13041 1 17 . 1 1 137 137 SER HA H 137 4.033 4.033 4.217 -0.184 18154 13042 1 17 . 1 1 137 137 SER C C 137 175.670 175.670 176.605 -0.935 18154 13043 1 17 . 1 1 137 137 SER CA C 137 62.330 62.330 61.885 0.445 18154 13044 1 17 . 1 1 137 137 SER CB C 137 61.380 61.380 63.069 -1.689 18154 13045 1 17 . 1 1 137 137 SER H H 137 8.824 8.824 8.239 0.585 18154 13046 1 17 . 1 1 138 138 ASN N N 138 123.517 123.517 121.263 2.254 18154 13047 1 17 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.724 -0.133 18154 13048 1 17 . 1 1 138 138 ASN C C 138 175.700 175.700 175.346 0.354 18154 13049 1 17 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.828 -0.342 18154 13050 1 17 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.123 -2.870 18154 13051 1 17 . 1 1 138 138 ASN H H 138 8.564 8.564 8.516 0.048 18154 13052 1 17 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.382 0.073 18154 13053 1 17 . 1 1 139 139 PRO C C 139 180.033 180.033 178.471 1.562 18154 13054 1 17 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.354 0.256 18154 13055 1 17 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.272 -0.736 18154 13056 1 17 . 1 1 140 140 TRP N N 140 119.700 119.700 121.775 -2.075 18154 13057 1 17 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.404 -0.071 18154 13058 1 17 . 1 1 140 140 TRP C C 140 179.195 179.195 178.014 1.181 18154 13059 1 17 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.758 0.422 18154 13060 1 17 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.544 1.207 18154 13061 1 17 . 1 1 140 140 TRP H H 140 7.057 7.057 7.485 -0.428 18154 13062 1 17 . 1 1 141 141 VAL N N 141 122.879 122.879 119.052 3.827 18154 13063 1 17 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.695 0.041 18154 13064 1 17 . 1 1 141 141 VAL C C 141 177.416 177.416 178.389 -0.973 18154 13065 1 17 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.270 -0.554 18154 13066 1 17 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.718 -0.286 18154 13067 1 17 . 1 1 141 141 VAL H H 141 9.629 9.629 8.824 0.805 18154 13068 1 17 . 1 1 142 142 GLU N N 142 119.965 119.965 120.112 -0.147 18154 13069 1 17 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.918 -0.186 18154 13070 1 17 . 1 1 142 142 GLU C C 142 178.800 178.800 178.479 0.321 18154 13071 1 17 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.868 -0.536 18154 13072 1 17 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.515 0.045 18154 13073 1 17 . 1 1 142 142 GLU H H 142 8.551 8.551 8.070 0.481 18154 13074 1 17 . 1 1 143 143 GLN N N 143 115.364 115.364 119.202 -3.838 18154 13075 1 17 . 1 1 143 143 GLN HA H 143 4.290 4.290 3.986 0.304 18154 13076 1 17 . 1 1 143 143 GLN C C 143 177.840 177.840 178.464 -0.624 18154 13077 1 17 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.629 0.734 18154 13078 1 17 . 1 1 143 143 GLN CB C 143 29.362 29.362 28.637 0.725 18154 13079 1 17 . 1 1 143 143 GLN H H 143 7.380 7.380 7.925 -0.545 18154 13080 1 17 . 1 1 144 144 TRP N N 144 126.680 126.680 122.164 4.516 18154 13081 1 17 . 1 1 144 144 TRP HA H 144 3.334 3.334 4.006 -0.672 18154 13082 1 17 . 1 1 144 144 TRP C C 144 178.200 178.200 178.297 -0.097 18154 13083 1 17 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.523 2.437 18154 13084 1 17 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.407 0.118 18154 13085 1 17 . 1 1 144 144 TRP H H 144 9.215 9.215 8.568 0.647 18154 13086 1 17 . 1 1 145 145 GLY N N 145 100.130 100.130 105.512 -5.382 18154 13087 1 17 . 1 1 145 145 GLY C C 145 177.391 177.391 174.799 2.592 18154 13088 1 17 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.062 -0.302 18154 13089 1 17 . 1 1 145 145 GLY H H 145 8.834 8.834 8.452 0.382 18154 13090 1 17 . 1 1 146 146 THR N N 146 110.831 110.831 112.466 -1.635 18154 13091 1 17 . 1 1 146 146 THR HA H 146 4.319 4.319 4.155 0.164 18154 13092 1 17 . 1 1 146 146 THR C C 146 175.574 175.574 175.702 -0.128 18154 13093 1 17 . 1 1 146 146 THR CA C 146 63.260 63.260 63.968 -0.708 18154 13094 1 17 . 1 1 146 146 THR CB C 146 69.660 69.660 68.858 0.802 18154 13095 1 17 . 1 1 146 146 THR H H 146 7.594 7.594 7.479 0.115 18154 13096 1 17 . 1 1 147 147 LEU N N 147 120.678 120.678 120.514 0.164 18154 13097 1 17 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.192 -0.134 18154 13098 1 17 . 1 1 147 147 LEU C C 147 177.176 177.176 176.862 0.314 18154 13099 1 17 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.390 -1.076 18154 13100 1 17 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.471 -0.243 18154 13101 1 17 . 1 1 147 147 LEU H H 147 7.458 7.458 7.533 -0.075 18154 13102 1 17 . 1 1 148 148 LEU N N 148 117.062 117.062 118.109 -1.047 18154 13103 1 17 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.647 0.071 18154 13104 1 17 . 1 1 148 148 LEU C C 148 175.570 175.570 176.410 -0.840 18154 13105 1 17 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.283 -0.332 18154 13106 1 17 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.161 -1.561 18154 13107 1 17 . 1 1 148 148 LEU H H 148 6.482 6.482 6.859 -0.377 18154 13108 1 18 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.753 -0.524 18154 13109 1 18 . 1 1 2 2 ALA C C 2 173.315 173.315 175.606 -2.291 18154 13110 1 18 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.129 0.451 18154 13111 1 18 . 1 1 2 2 ALA CB C 2 20.223 20.223 20.592 -0.369 18154 13112 1 18 . 1 1 3 3 GLU N N 3 121.874 121.874 119.797 2.077 18154 13113 1 18 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.557 -0.283 18154 13114 1 18 . 1 1 3 3 GLU C C 3 174.545 174.545 175.559 -1.014 18154 13115 1 18 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.547 0.303 18154 13116 1 18 . 1 1 3 3 GLU CB C 3 31.720 31.720 31.826 -0.107 18154 13117 1 18 . 1 1 3 3 GLU H H 3 8.696 8.696 8.809 -0.113 18154 13118 1 18 . 1 1 4 4 ILE N N 4 120.672 120.672 125.373 -4.701 18154 13119 1 18 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.729 0.380 18154 13120 1 18 . 1 1 4 4 ILE C C 4 175.463 175.463 174.724 0.739 18154 13121 1 18 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.032 -0.200 18154 13122 1 18 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.684 2.986 18154 13123 1 18 . 1 1 4 4 ILE H H 4 8.860 8.860 9.265 -0.405 18154 13124 1 18 . 1 1 5 5 GLY N N 5 119.310 119.310 114.211 5.099 18154 13125 1 18 . 1 1 5 5 GLY C C 5 171.260 171.260 172.666 -1.406 18154 13126 1 18 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.120 0.700 18154 13127 1 18 . 1 1 5 5 GLY H H 5 8.469 8.469 7.952 0.517 18154 13128 1 18 . 1 1 6 6 ILE N N 6 126.915 126.915 125.954 0.961 18154 13129 1 18 . 1 1 6 6 ILE HA H 6 5.190 5.190 4.842 0.348 18154 13130 1 18 . 1 1 6 6 ILE C C 6 173.901 173.901 174.336 -0.435 18154 13131 1 18 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.635 -0.635 18154 13132 1 18 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.235 -1.235 18154 13133 1 18 . 1 1 6 6 ILE H H 6 9.056 9.056 8.994 0.062 18154 13134 1 18 . 1 1 7 7 PHE N N 7 127.354 127.354 127.501 -0.147 18154 13135 1 18 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.360 -0.848 18154 13136 1 18 . 1 1 7 7 PHE C C 7 174.230 174.230 174.729 -0.499 18154 13137 1 18 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.541 1.869 18154 13138 1 18 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.929 0.799 18154 13139 1 18 . 1 1 7 7 PHE H H 7 8.960 8.960 9.413 -0.453 18154 13140 1 18 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.131 -0.071 18154 13141 1 18 . 1 1 8 8 VAL C C 8 175.450 175.450 175.795 -0.345 18154 13142 1 18 . 1 1 8 8 VAL CA C 8 61.200 61.200 58.816 2.384 18154 13143 1 18 . 1 1 8 8 VAL CB C 8 34.437 34.437 35.590 -1.153 18154 13144 1 18 . 1 1 9 9 GLY N N 9 115.000 115.000 117.973 -2.973 18154 13145 1 18 . 1 1 9 9 GLY C C 9 173.150 173.150 173.831 -0.681 18154 13146 1 18 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.759 0.241 18154 13147 1 18 . 1 1 9 9 GLY H H 9 9.393 9.393 8.735 0.658 18154 13148 1 18 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.279 0.416 18154 13149 1 18 . 1 1 12 12 TYR C C 12 176.560 176.560 175.603 0.957 18154 13150 1 18 . 1 1 12 12 TYR CA C 12 57.750 57.750 58.566 -0.816 18154 13151 1 18 . 1 1 12 12 TYR CB C 12 38.000 38.000 37.878 0.122 18154 13152 1 18 . 1 1 13 13 GLY N N 13 109.870 109.870 108.378 1.492 18154 13153 1 18 . 1 1 13 13 GLY C C 13 175.930 175.930 174.030 1.900 18154 13154 1 18 . 1 1 13 13 GLY CA C 13 46.000 46.000 45.135 0.865 18154 13155 1 18 . 1 1 13 13 GLY H H 13 8.500 8.500 8.596 -0.096 18154 13156 1 18 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.206 0.024 18154 13157 1 18 . 1 1 17 17 LEU C C 17 179.210 179.210 177.987 1.223 18154 13158 1 18 . 1 1 17 17 LEU CA C 17 58.400 58.400 58.209 0.192 18154 13159 1 18 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.252 0.048 18154 13160 1 18 . 1 1 18 18 VAL N N 18 117.231 117.231 117.752 -0.521 18154 13161 1 18 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.628 -0.305 18154 13162 1 18 . 1 1 18 18 VAL C C 18 178.460 178.460 177.886 0.574 18154 13163 1 18 . 1 1 18 18 VAL CA C 18 66.866 66.866 65.986 0.880 18154 13164 1 18 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.997 0.463 18154 13165 1 18 . 1 1 18 18 VAL H H 18 7.645 7.645 8.057 -0.412 18154 13166 1 18 . 1 1 19 19 ALA N N 19 121.820 121.820 121.626 0.194 18154 13167 1 18 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.941 -0.125 18154 13168 1 18 . 1 1 19 19 ALA C C 19 178.180 178.180 179.530 -1.350 18154 13169 1 18 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.560 0.016 18154 13170 1 18 . 1 1 19 19 ALA CB C 19 20.000 20.000 17.970 2.030 18154 13171 1 18 . 1 1 19 19 ALA H H 19 8.010 8.010 7.888 0.122 18154 13172 1 18 . 1 1 20 20 GLU N N 20 118.960 118.960 118.467 0.493 18154 13173 1 18 . 1 1 20 20 GLU HA H 20 4.016 4.016 3.993 0.023 18154 13174 1 18 . 1 1 20 20 GLU C C 20 180.950 180.950 179.385 1.565 18154 13175 1 18 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.083 0.583 18154 13176 1 18 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.315 -0.015 18154 13177 1 18 . 1 1 20 20 GLU H H 20 8.700 8.700 7.932 0.768 18154 13178 1 18 . 1 1 21 21 GLU N N 21 121.371 121.371 119.515 1.856 18154 13179 1 18 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.073 -0.029 18154 13180 1 18 . 1 1 21 21 GLU C C 21 179.419 179.419 178.809 0.610 18154 13181 1 18 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.236 0.074 18154 13182 1 18 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.285 0.276 18154 13183 1 18 . 1 1 21 21 GLU H H 21 8.632 8.632 7.999 0.633 18154 13184 1 18 . 1 1 22 22 ALA N N 22 121.329 121.329 122.895 -1.566 18154 13185 1 18 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.059 -0.001 18154 13186 1 18 . 1 1 22 22 ALA C C 22 178.823 178.823 179.393 -0.570 18154 13187 1 18 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.695 -1.018 18154 13188 1 18 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.076 -0.433 18154 13189 1 18 . 1 1 22 22 ALA H H 22 8.182 8.182 8.572 -0.390 18154 13190 1 18 . 1 1 23 23 GLU N N 23 119.035 119.035 119.473 -0.438 18154 13191 1 18 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.025 -0.621 18154 13192 1 18 . 1 1 23 23 GLU C C 23 178.375 178.375 178.658 -0.283 18154 13193 1 18 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.679 0.629 18154 13194 1 18 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.503 -0.573 18154 13195 1 18 . 1 1 23 23 GLU H H 23 8.387 8.387 8.332 0.055 18154 13196 1 18 . 1 1 24 24 ALA N N 24 122.207 122.207 122.475 -0.268 18154 13197 1 18 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.095 -0.065 18154 13198 1 18 . 1 1 24 24 ALA C C 24 181.132 181.132 179.917 1.215 18154 13199 1 18 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.062 0.425 18154 13200 1 18 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.589 -0.589 18154 13201 1 18 . 1 1 24 24 ALA H H 24 7.535 7.535 7.955 -0.420 18154 13202 1 18 . 1 1 25 25 ILE N N 25 121.059 121.059 119.763 1.296 18154 13203 1 18 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.649 0.015 18154 13204 1 18 . 1 1 25 25 ILE C C 25 178.419 178.419 177.867 0.552 18154 13205 1 18 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.270 -1.162 18154 13206 1 18 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.208 0.755 18154 13207 1 18 . 1 1 25 25 ILE H H 25 7.800 7.800 8.546 -0.746 18154 13208 1 18 . 1 1 26 26 LEU N N 26 119.307 119.307 120.341 -1.034 18154 13209 1 18 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.102 0.074 18154 13210 1 18 . 1 1 26 26 LEU C C 26 179.863 179.863 179.639 0.224 18154 13211 1 18 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.355 -0.409 18154 13212 1 18 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.331 -0.191 18154 13213 1 18 . 1 1 26 26 LEU H H 26 8.509 8.509 8.457 0.052 18154 13214 1 18 . 1 1 27 27 THR N N 27 117.830 117.830 115.688 2.142 18154 13215 1 18 . 1 1 27 27 THR HA H 27 4.524 4.524 4.342 0.182 18154 13216 1 18 . 1 1 27 27 THR C C 27 179.027 179.027 176.369 2.658 18154 13217 1 18 . 1 1 27 27 THR CA C 27 66.000 66.000 66.369 -0.369 18154 13218 1 18 . 1 1 27 27 THR CB C 27 68.600 68.600 68.849 -0.249 18154 13219 1 18 . 1 1 27 27 THR H H 27 8.796 8.796 8.586 0.210 18154 13220 1 18 . 1 1 28 28 ALA N N 28 126.313 126.313 122.597 3.716 18154 13221 1 18 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.147 0.058 18154 13222 1 18 . 1 1 28 28 ALA C C 28 179.360 179.360 179.246 0.114 18154 13223 1 18 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.214 0.786 18154 13224 1 18 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.226 -0.576 18154 13225 1 18 . 1 1 28 28 ALA H H 28 7.832 7.832 7.787 0.045 18154 13226 1 18 . 1 1 29 29 GLN N N 29 115.527 115.527 116.672 -1.145 18154 13227 1 18 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.098 0.029 18154 13228 1 18 . 1 1 29 29 GLN C C 29 176.547 176.547 177.025 -0.478 18154 13229 1 18 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.337 -0.774 18154 13230 1 18 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.654 -0.244 18154 13231 1 18 . 1 1 29 29 GLN H H 29 7.353 7.353 8.019 -0.666 18154 13232 1 18 . 1 1 30 30 GLY N N 30 105.961 105.961 103.576 2.385 18154 13233 1 18 . 1 1 30 30 GLY C C 30 174.785 174.785 174.199 0.586 18154 13234 1 18 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.582 -0.082 18154 13235 1 18 . 1 1 30 30 GLY H H 30 7.923 7.923 7.601 0.322 18154 13236 1 18 . 1 1 31 31 HIS N N 31 119.471 119.471 119.269 0.202 18154 13237 1 18 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.618 0.217 18154 13238 1 18 . 1 1 31 31 HIS C C 31 174.665 174.665 174.019 0.646 18154 13239 1 18 . 1 1 31 31 HIS CA C 31 55.842 55.842 55.933 -0.091 18154 13240 1 18 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.320 0.680 18154 13241 1 18 . 1 1 31 31 HIS H H 31 7.558 7.558 8.129 -0.571 18154 13242 1 18 . 1 1 32 32 LYS N N 32 121.854 121.854 120.909 0.945 18154 13243 1 18 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.554 0.169 18154 13244 1 18 . 1 1 32 32 LYS C C 32 174.466 174.466 174.345 0.121 18154 13245 1 18 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.619 0.246 18154 13246 1 18 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.663 0.298 18154 13247 1 18 . 1 1 32 32 LYS H H 32 8.665 8.665 8.741 -0.076 18154 13248 1 18 . 1 1 33 33 ALA N N 33 130.188 130.188 129.662 0.526 18154 13249 1 18 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.696 0.122 18154 13250 1 18 . 1 1 33 33 ALA C C 33 175.567 175.567 176.368 -0.801 18154 13251 1 18 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.568 -0.592 18154 13252 1 18 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.802 0.495 18154 13253 1 18 . 1 1 33 33 ALA H H 33 8.837 8.837 7.994 0.843 18154 13254 1 18 . 1 1 34 34 THR N N 34 117.164 117.164 116.582 0.582 18154 13255 1 18 . 1 1 34 34 THR HA H 34 4.359 4.359 4.546 -0.187 18154 13256 1 18 . 1 1 34 34 THR C C 34 171.315 171.315 172.741 -1.426 18154 13257 1 18 . 1 1 34 34 THR CA C 34 61.840 61.840 60.734 1.106 18154 13258 1 18 . 1 1 34 34 THR CB C 34 71.800 71.800 71.839 -0.039 18154 13259 1 18 . 1 1 34 34 THR H H 34 7.826 7.826 8.679 -0.853 18154 13260 1 18 . 1 1 35 35 VAL N N 35 126.650 126.650 121.985 4.665 18154 13261 1 18 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.485 -0.302 18154 13262 1 18 . 1 1 35 35 VAL C C 35 174.675 174.675 175.078 -0.403 18154 13263 1 18 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.473 0.455 18154 13264 1 18 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.654 -0.004 18154 13265 1 18 . 1 1 35 35 VAL H H 35 8.496 8.496 8.321 0.175 18154 13266 1 18 . 1 1 36 36 PHE N N 36 127.630 127.630 125.937 1.693 18154 13267 1 18 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.714 -0.163 18154 13268 1 18 . 1 1 36 36 PHE C C 36 174.347 174.347 174.250 0.097 18154 13269 1 18 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.552 0.930 18154 13270 1 18 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.552 -0.387 18154 13271 1 18 . 1 1 36 36 PHE H H 36 9.164 9.164 9.200 -0.036 18154 13272 1 18 . 1 1 37 37 GLU N N 37 123.516 123.516 123.237 0.279 18154 13273 1 18 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.480 -0.010 18154 13274 1 18 . 1 1 37 37 GLU C C 37 175.954 175.954 176.445 -0.491 18154 13275 1 18 . 1 1 37 37 GLU CA C 37 55.719 55.719 55.826 -0.107 18154 13276 1 18 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.919 0.541 18154 13277 1 18 . 1 1 37 37 GLU H H 37 8.455 8.455 8.651 -0.196 18154 13278 1 18 . 1 1 38 38 ASP N N 38 120.395 120.395 121.838 -1.443 18154 13279 1 18 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.418 0.415 18154 13280 1 18 . 1 1 38 38 ASP C C 38 173.920 173.920 174.621 -0.701 18154 13281 1 18 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.338 0.139 18154 13282 1 18 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.464 0.140 18154 13283 1 18 . 1 1 38 38 ASP H H 38 9.602 9.602 8.311 1.291 18154 13284 1 18 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.551 0.129 18154 13285 1 18 . 1 1 39 39 PRO C C 39 176.274 176.274 175.942 0.332 18154 13286 1 18 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.481 -0.497 18154 13287 1 18 . 1 1 39 39 PRO CB C 39 34.400 34.400 33.349 1.051 18154 13288 1 18 . 1 1 40 40 GLU N N 40 119.026 119.026 120.892 -1.866 18154 13289 1 18 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.616 0.112 18154 13290 1 18 . 1 1 40 40 GLU C C 40 177.827 177.827 178.338 -0.511 18154 13291 1 18 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.094 -0.124 18154 13292 1 18 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.166 2.234 18154 13293 1 18 . 1 1 40 40 GLU H H 40 9.178 9.178 8.541 0.637 18154 13294 1 18 . 1 1 41 41 LEU N N 41 123.708 123.708 124.358 -0.650 18154 13295 1 18 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.176 -0.282 18154 13296 1 18 . 1 1 41 41 LEU C C 41 178.730 178.730 177.462 1.268 18154 13297 1 18 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.369 1.038 18154 13298 1 18 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.776 -0.123 18154 13299 1 18 . 1 1 41 41 LEU H H 41 9.160 9.160 8.646 0.514 18154 13300 1 18 . 1 1 42 42 SER N N 42 110.500 110.500 113.942 -3.442 18154 13301 1 18 . 1 1 42 42 SER HA H 42 4.010 4.010 4.222 -0.212 18154 13302 1 18 . 1 1 42 42 SER C C 42 176.300 176.300 175.250 1.050 18154 13303 1 18 . 1 1 42 42 SER CA C 42 61.600 61.600 60.867 0.733 18154 13304 1 18 . 1 1 42 42 SER CB C 42 62.140 62.140 62.902 -0.762 18154 13305 1 18 . 1 1 42 42 SER H H 42 8.415 8.415 8.526 -0.111 18154 13306 1 18 . 1 1 43 43 ASP N N 43 119.770 119.770 120.262 -0.492 18154 13307 1 18 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.725 -0.268 18154 13308 1 18 . 1 1 43 43 ASP C C 43 176.150 176.150 176.070 0.080 18154 13309 1 18 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.455 1.295 18154 13310 1 18 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.150 1.550 18154 13311 1 18 . 1 1 43 43 ASP H H 43 7.690 7.690 7.880 -0.190 18154 13312 1 18 . 1 1 44 44 TRP N N 44 118.500 118.500 121.461 -2.961 18154 13313 1 18 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.213 -0.003 18154 13314 1 18 . 1 1 44 44 TRP C C 44 177.150 177.150 177.269 -0.119 18154 13315 1 18 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.967 0.420 18154 13316 1 18 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.020 0.290 18154 13317 1 18 . 1 1 44 44 TRP H H 44 7.464 7.464 7.448 0.016 18154 13318 1 18 . 1 1 45 45 LEU N N 45 114.100 114.100 120.976 -6.876 18154 13319 1 18 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.023 0.152 18154 13320 1 18 . 1 1 45 45 LEU C C 45 176.300 176.300 175.596 0.704 18154 13321 1 18 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.224 -0.663 18154 13322 1 18 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.480 -0.260 18154 13323 1 18 . 1 1 45 45 LEU H H 45 7.550 7.550 8.321 -0.771 18154 13324 1 18 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.207 0.173 18154 13325 1 18 . 1 1 46 46 PRO C C 46 176.799 176.799 177.386 -0.587 18154 13326 1 18 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.532 0.755 18154 13327 1 18 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.191 0.409 18154 13328 1 18 . 1 1 47 47 TYR N N 47 113.790 113.790 116.065 -2.275 18154 13329 1 18 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.596 -0.476 18154 13330 1 18 . 1 1 47 47 TYR C C 47 175.730 175.730 177.918 -2.188 18154 13331 1 18 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.373 1.827 18154 13332 1 18 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.368 0.647 18154 13333 1 18 . 1 1 47 47 TYR H H 47 8.291 8.291 8.120 0.171 18154 13334 1 18 . 1 1 48 48 GLN N N 48 116.524 116.524 120.133 -3.609 18154 13335 1 18 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.989 -0.104 18154 13336 1 18 . 1 1 48 48 GLN C C 48 174.381 174.381 176.061 -1.680 18154 13337 1 18 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.577 0.249 18154 13338 1 18 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.754 2.246 18154 13339 1 18 . 1 1 48 48 GLN H H 48 7.300 7.300 7.497 -0.197 18154 13340 1 18 . 1 1 49 49 ASP N N 49 114.657 114.657 113.674 0.983 18154 13341 1 18 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.652 0.035 18154 13342 1 18 . 1 1 49 49 ASP C C 49 176.307 176.307 175.631 0.676 18154 13343 1 18 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.916 -2.181 18154 13344 1 18 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.270 -1.070 18154 13345 1 18 . 1 1 49 49 ASP H H 49 7.854 7.854 8.415 -0.561 18154 13346 1 18 . 1 1 50 50 LYS N N 50 123.514 123.514 118.945 4.569 18154 13347 1 18 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.600 -0.010 18154 13348 1 18 . 1 1 50 50 LYS C C 50 172.964 172.964 175.312 -2.348 18154 13349 1 18 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.599 -0.906 18154 13350 1 18 . 1 1 50 50 LYS CB C 50 33.355 33.355 35.368 -2.013 18154 13351 1 18 . 1 1 50 50 LYS H H 50 7.833 7.833 7.268 0.565 18154 13352 1 18 . 1 1 51 51 TYR N N 51 118.375 118.375 115.670 2.705 18154 13353 1 18 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.702 0.353 18154 13354 1 18 . 1 1 51 51 TYR C C 51 175.875 175.875 175.706 0.169 18154 13355 1 18 . 1 1 51 51 TYR CA C 51 56.421 56.421 56.552 -0.131 18154 13356 1 18 . 1 1 51 51 TYR CB C 51 42.477 42.477 42.108 0.369 18154 13357 1 18 . 1 1 51 51 TYR H H 51 7.745 7.745 8.440 -0.695 18154 13358 1 18 . 1 1 52 52 VAL N N 52 112.527 112.527 116.218 -3.691 18154 13359 1 18 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.993 0.507 18154 13360 1 18 . 1 1 52 52 VAL C C 52 173.910 173.910 174.063 -0.153 18154 13361 1 18 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.522 -1.826 18154 13362 1 18 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.071 1.421 18154 13363 1 18 . 1 1 52 52 VAL H H 52 8.673 8.673 8.474 0.199 18154 13364 1 18 . 1 1 53 53 LEU N N 53 124.294 124.294 125.948 -1.654 18154 13365 1 18 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.177 -0.277 18154 13366 1 18 . 1 1 53 53 LEU C C 53 175.070 175.070 174.521 0.549 18154 13367 1 18 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.150 -0.584 18154 13368 1 18 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.208 -0.978 18154 13369 1 18 . 1 1 53 53 LEU H H 53 9.137 9.137 9.116 0.021 18154 13370 1 18 . 1 1 54 54 VAL N N 54 127.850 127.850 126.177 1.673 18154 13371 1 18 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.989 -0.479 18154 13372 1 18 . 1 1 54 54 VAL C C 54 174.030 174.030 174.905 -0.875 18154 13373 1 18 . 1 1 54 54 VAL CA C 54 61.825 61.825 59.737 2.088 18154 13374 1 18 . 1 1 54 54 VAL CB C 54 32.691 32.691 32.666 0.025 18154 13375 1 18 . 1 1 54 54 VAL H H 54 8.619 8.619 8.800 -0.181 18154 13376 1 18 . 1 1 55 55 VAL N N 55 127.181 127.181 127.686 -0.505 18154 13377 1 18 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.856 0.229 18154 13378 1 18 . 1 1 55 55 VAL C C 55 174.942 174.942 174.949 -0.007 18154 13379 1 18 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.569 -0.500 18154 13380 1 18 . 1 1 55 55 VAL CB C 55 33.222 33.222 34.144 -0.922 18154 13381 1 18 . 1 1 55 55 VAL H H 55 8.578 8.578 8.842 -0.264 18154 13382 1 18 . 1 1 56 56 THR N N 56 117.420 117.420 118.087 -0.667 18154 13383 1 18 . 1 1 56 56 THR HA H 56 5.590 5.590 4.744 0.846 18154 13384 1 18 . 1 1 56 56 THR C C 56 172.640 172.640 173.473 -0.833 18154 13385 1 18 . 1 1 56 56 THR CA C 56 59.359 59.359 60.908 -1.549 18154 13386 1 18 . 1 1 56 56 THR CB C 56 70.715 70.715 70.618 0.097 18154 13387 1 18 . 1 1 56 56 THR H H 56 8.710 8.710 9.011 -0.301 18154 13388 1 18 . 1 1 57 57 SER HA H 57 5.250 5.250 4.731 0.519 18154 13389 1 18 . 1 1 57 57 SER CA C 57 57.730 57.730 58.778 -1.048 18154 13390 1 18 . 1 1 57 57 SER CB C 57 64.500 64.500 64.081 0.419 18154 13391 1 18 . 1 1 57 57 SER H H 57 8.075 8.075 8.748 -0.673 18154 13392 1 18 . 1 1 58 58 THR H H 58 7.900 7.900 7.524 0.376 18154 13393 1 18 . 1 1 59 59 THR HA H 59 4.900 4.900 4.171 0.729 18154 13394 1 18 . 1 1 59 59 THR CA C 59 61.200 61.200 64.981 -3.781 18154 13395 1 18 . 1 1 59 59 THR CB C 59 73.400 73.400 68.716 4.684 18154 13396 1 18 . 1 1 59 59 THR H H 59 9.230 9.230 7.788 1.442 18154 13397 1 18 . 1 1 60 60 GLY CA C 60 46.500 46.500 44.610 1.890 18154 13398 1 18 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.221 0.185 18154 13399 1 18 . 1 1 61 61 GLN C C 61 175.950 175.950 175.966 -0.016 18154 13400 1 18 . 1 1 61 61 GLN CA C 61 55.350 55.350 55.647 -0.297 18154 13401 1 18 . 1 1 61 61 GLN CB C 61 29.160 29.160 27.285 1.875 18154 13402 1 18 . 1 1 62 62 GLY N N 62 108.420 108.420 108.413 0.007 18154 13403 1 18 . 1 1 62 62 GLY C C 62 173.134 173.134 173.633 -0.499 18154 13404 1 18 . 1 1 62 62 GLY CA C 62 45.784 45.784 45.116 0.668 18154 13405 1 18 . 1 1 62 62 GLY H H 62 8.073 8.073 8.171 -0.098 18154 13406 1 18 . 1 1 63 63 ASP N N 63 118.400 118.400 118.288 0.112 18154 13407 1 18 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.505 0.275 18154 13408 1 18 . 1 1 63 63 ASP CA C 63 53.296 53.296 53.936 -0.640 18154 13409 1 18 . 1 1 63 63 ASP CB C 63 42.740 42.740 41.697 1.043 18154 13410 1 18 . 1 1 63 63 ASP H H 63 7.248 7.248 8.174 -0.926 18154 13411 1 18 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.466 -0.066 18154 13412 1 18 . 1 1 64 64 LEU CA C 64 53.150 53.150 51.661 1.489 18154 13413 1 18 . 1 1 64 64 LEU CB C 64 41.687 41.687 43.033 -1.346 18154 13414 1 18 . 1 1 64 64 LEU H H 64 8.445 8.445 8.214 0.231 18154 13415 1 18 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.444 -0.151 18154 13416 1 18 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.396 -0.052 18154 13417 1 18 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.773 -0.293 18154 13418 1 18 . 1 1 66 66 ASP N N 66 121.200 121.200 120.584 0.616 18154 13419 1 18 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.288 -0.028 18154 13420 1 18 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.423 1.207 18154 13421 1 18 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.513 0.287 18154 13422 1 18 . 1 1 66 66 ASP H H 66 8.605 8.605 8.809 -0.204 18154 13423 1 18 . 1 1 67 67 SER HA H 67 4.292 4.292 4.426 -0.134 18154 13424 1 18 . 1 1 67 67 SER C C 67 175.650 175.650 175.184 0.466 18154 13425 1 18 . 1 1 67 67 SER CA C 67 60.500 60.500 60.286 0.214 18154 13426 1 18 . 1 1 67 67 SER CB C 67 63.530 63.530 63.796 -0.266 18154 13427 1 18 . 1 1 68 68 ILE N N 68 120.550 120.550 121.389 -0.839 18154 13428 1 18 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.359 0.751 18154 13429 1 18 . 1 1 68 68 ILE C C 68 174.713 174.713 176.851 -2.138 18154 13430 1 18 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.942 -0.542 18154 13431 1 18 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.149 4.091 18154 13432 1 18 . 1 1 68 68 ILE H H 68 7.870 7.870 7.579 0.291 18154 13433 1 18 . 1 1 69 69 VAL N N 69 125.740 125.740 122.884 2.856 18154 13434 1 18 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.669 0.076 18154 13435 1 18 . 1 1 69 69 VAL C C 69 174.500 174.500 174.754 -0.254 18154 13436 1 18 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.691 -1.141 18154 13437 1 18 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.267 0.863 18154 13438 1 18 . 1 1 69 69 VAL H H 69 7.428 7.428 8.260 -0.832 18154 13439 1 18 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.275 0.017 18154 13440 1 18 . 1 1 70 70 PRO C C 70 180.820 180.820 178.768 2.052 18154 13441 1 18 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.150 0.320 18154 13442 1 18 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.142 -0.485 18154 13443 1 18 . 1 1 71 71 LEU N N 71 119.467 119.467 120.419 -0.952 18154 13444 1 18 . 1 1 71 71 LEU HA H 71 3.845 3.845 3.986 -0.141 18154 13445 1 18 . 1 1 71 71 LEU C C 71 176.489 176.489 178.104 -1.615 18154 13446 1 18 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.851 0.356 18154 13447 1 18 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.551 -0.065 18154 13448 1 18 . 1 1 71 71 LEU H H 71 7.918 7.918 7.780 0.138 18154 13449 1 18 . 1 1 72 72 PHE N N 72 119.361 119.361 119.718 -0.357 18154 13450 1 18 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.369 -0.224 18154 13451 1 18 . 1 1 72 72 PHE C C 72 175.968 175.968 177.119 -1.151 18154 13452 1 18 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.842 -0.021 18154 13453 1 18 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.730 0.817 18154 13454 1 18 . 1 1 72 72 PHE H H 72 7.903 7.903 8.861 -0.959 18154 13455 1 18 . 1 1 73 73 GLN N N 73 116.100 116.100 116.981 -0.881 18154 13456 1 18 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.860 -0.333 18154 13457 1 18 . 1 1 73 73 GLN C C 73 177.871 177.871 178.682 -0.811 18154 13458 1 18 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.806 -0.666 18154 13459 1 18 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.117 0.029 18154 13460 1 18 . 1 1 73 73 GLN H H 73 9.042 9.042 8.691 0.351 18154 13461 1 18 . 1 1 74 74 GLY N N 74 107.110 107.110 108.262 -1.152 18154 13462 1 18 . 1 1 74 74 GLY C C 74 175.894 175.894 176.495 -0.601 18154 13463 1 18 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.868 0.411 18154 13464 1 18 . 1 1 74 74 GLY H H 74 8.045 8.045 8.188 -0.143 18154 13465 1 18 . 1 1 75 75 ILE N N 75 123.629 123.629 122.756 0.873 18154 13466 1 18 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.369 -0.319 18154 13467 1 18 . 1 1 75 75 ILE C C 75 178.622 178.622 177.072 1.550 18154 13468 1 18 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.798 0.459 18154 13469 1 18 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.481 0.487 18154 13470 1 18 . 1 1 75 75 ILE H H 75 8.174 8.174 8.005 0.169 18154 13471 1 18 . 1 1 76 76 LYS N N 76 119.363 119.363 118.637 0.726 18154 13472 1 18 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.750 -0.445 18154 13473 1 18 . 1 1 76 76 LYS C C 76 177.909 177.909 178.300 -0.391 18154 13474 1 18 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.303 0.402 18154 13475 1 18 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.895 0.455 18154 13476 1 18 . 1 1 76 76 LYS H H 76 7.600 7.600 7.527 0.073 18154 13477 1 18 . 1 1 77 77 ASP N N 77 115.190 115.190 118.082 -2.892 18154 13478 1 18 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.543 -0.061 18154 13479 1 18 . 1 1 77 77 ASP C C 77 178.825 178.825 178.189 0.636 18154 13480 1 18 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.178 0.102 18154 13481 1 18 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.720 -0.530 18154 13482 1 18 . 1 1 77 77 ASP H H 77 8.482 8.482 8.297 0.185 18154 13483 1 18 . 1 1 78 78 SER N N 78 112.576 112.576 116.056 -3.480 18154 13484 1 18 . 1 1 78 78 SER HA H 78 4.728 4.728 4.348 0.381 18154 13485 1 18 . 1 1 78 78 SER C C 78 174.556 174.556 175.068 -0.512 18154 13486 1 18 . 1 1 78 78 SER CA C 78 60.045 60.045 60.042 0.003 18154 13487 1 18 . 1 1 78 78 SER CB C 78 64.643 64.643 63.830 0.813 18154 13488 1 18 . 1 1 78 78 SER H H 78 8.273 8.273 7.884 0.389 18154 13489 1 18 . 1 1 79 79 LEU N N 79 120.833 120.833 121.086 -0.253 18154 13490 1 18 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.366 0.449 18154 13491 1 18 . 1 1 79 79 LEU C C 79 176.251 176.251 178.792 -2.541 18154 13492 1 18 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.361 -2.401 18154 13493 1 18 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.165 -2.969 18154 13494 1 18 . 1 1 79 79 LEU H H 79 7.025 7.025 7.471 -0.446 18154 13495 1 18 . 1 1 80 80 GLY N N 80 108.861 108.861 106.738 2.123 18154 13496 1 18 . 1 1 80 80 GLY C C 80 173.623 173.623 173.537 0.086 18154 13497 1 18 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.398 -0.169 18154 13498 1 18 . 1 1 80 80 GLY H H 80 7.499 7.499 8.168 -0.669 18154 13499 1 18 . 1 1 81 81 PHE N N 81 121.441 121.441 119.766 1.675 18154 13500 1 18 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.974 0.086 18154 13501 1 18 . 1 1 81 81 PHE C C 81 174.411 174.411 172.575 1.836 18154 13502 1 18 . 1 1 81 81 PHE CA C 81 57.211 57.211 56.394 0.817 18154 13503 1 18 . 1 1 81 81 PHE CB C 81 40.620 40.620 42.032 -1.412 18154 13504 1 18 . 1 1 81 81 PHE H H 81 8.018 8.018 7.518 0.500 18154 13505 1 18 . 1 1 82 82 GLN N N 82 126.480 126.480 123.448 3.032 18154 13506 1 18 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.609 0.281 18154 13507 1 18 . 1 1 82 82 GLN C C 82 172.700 172.700 173.523 -0.823 18154 13508 1 18 . 1 1 82 82 GLN CA C 82 54.177 54.177 51.765 2.412 18154 13509 1 18 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.432 2.168 18154 13510 1 18 . 1 1 82 82 GLN H H 82 9.588 9.588 7.396 2.192 18154 13511 1 18 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.117 0.256 18154 13512 1 18 . 1 1 83 83 PRO C C 83 178.163 178.163 176.586 1.577 18154 13513 1 18 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.377 -0.686 18154 13514 1 18 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.472 -0.607 18154 13515 1 18 . 1 1 84 84 ASN N N 84 116.900 116.900 113.834 3.066 18154 13516 1 18 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.842 -0.073 18154 13517 1 18 . 1 1 84 84 ASN C C 84 173.332 173.332 173.625 -0.293 18154 13518 1 18 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.642 -0.082 18154 13519 1 18 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.556 -1.296 18154 13520 1 18 . 1 1 84 84 ASN H H 84 8.578 8.578 8.082 0.496 18154 13521 1 18 . 1 1 85 85 LEU N N 85 124.380 124.380 122.763 1.617 18154 13522 1 18 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.215 -0.169 18154 13523 1 18 . 1 1 85 85 LEU C C 85 175.880 175.880 175.810 0.070 18154 13524 1 18 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.775 1.067 18154 13525 1 18 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.209 -0.909 18154 13526 1 18 . 1 1 85 85 LEU H H 85 7.240 7.240 7.640 -0.400 18154 13527 1 18 . 1 1 86 86 ARG N N 86 128.715 128.715 124.229 4.486 18154 13528 1 18 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.670 0.124 18154 13529 1 18 . 1 1 86 86 ARG C C 86 175.554 175.554 175.538 0.016 18154 13530 1 18 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.003 1.439 18154 13531 1 18 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.145 -0.272 18154 13532 1 18 . 1 1 86 86 ARG H H 86 7.732 7.732 7.840 -0.108 18154 13533 1 18 . 1 1 87 87 TYR N N 87 117.420 117.420 118.259 -0.839 18154 13534 1 18 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.935 0.830 18154 13535 1 18 . 1 1 87 87 TYR C C 87 172.931 172.931 173.692 -0.761 18154 13536 1 18 . 1 1 87 87 TYR CA C 87 55.261 55.261 55.964 -0.703 18154 13537 1 18 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.892 3.046 18154 13538 1 18 . 1 1 87 87 TYR H H 87 8.783 8.783 7.978 0.805 18154 13539 1 18 . 1 1 88 88 GLY N N 88 107.765 107.765 105.912 1.853 18154 13540 1 18 . 1 1 88 88 GLY C C 88 172.621 172.621 171.832 0.789 18154 13541 1 18 . 1 1 88 88 GLY CA C 88 43.861 43.861 43.411 0.450 18154 13542 1 18 . 1 1 88 88 GLY H H 88 8.905 8.905 8.746 0.159 18154 13543 1 18 . 1 1 89 89 VAL N N 89 118.180 118.180 118.725 -0.545 18154 13544 1 18 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.916 0.085 18154 13545 1 18 . 1 1 89 89 VAL C C 89 172.939 172.939 173.879 -0.940 18154 13546 1 18 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.907 0.092 18154 13547 1 18 . 1 1 89 89 VAL CB C 89 36.398 36.398 36.304 0.094 18154 13548 1 18 . 1 1 89 89 VAL H H 89 7.499 7.499 8.366 -0.867 18154 13549 1 18 . 1 1 90 90 ILE N N 90 125.000 125.000 124.615 0.385 18154 13550 1 18 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.143 -0.016 18154 13551 1 18 . 1 1 90 90 ILE C C 90 173.099 173.099 173.852 -0.753 18154 13552 1 18 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.766 0.722 18154 13553 1 18 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.331 0.067 18154 13554 1 18 . 1 1 90 90 ILE H H 90 8.810 8.810 8.753 0.057 18154 13555 1 18 . 1 1 91 91 ALA N N 91 129.036 129.036 129.721 -0.685 18154 13556 1 18 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.314 0.012 18154 13557 1 18 . 1 1 91 91 ALA C C 91 174.000 174.000 175.735 -1.735 18154 13558 1 18 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.617 -0.617 18154 13559 1 18 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.147 0.953 18154 13560 1 18 . 1 1 91 91 ALA H H 91 9.253 9.253 8.925 0.328 18154 13561 1 18 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.066 -0.135 18154 13562 1 18 . 1 1 92 92 LEU C C 92 177.366 177.366 176.256 1.110 18154 13563 1 18 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.251 0.666 18154 13564 1 18 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.262 -2.862 18154 13565 1 18 . 1 1 93 93 GLY N N 93 110.663 110.663 108.090 2.573 18154 13566 1 18 . 1 1 93 93 GLY C C 93 172.029 172.029 171.821 0.208 18154 13567 1 18 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.955 -0.225 18154 13568 1 18 . 1 1 93 93 GLY H H 93 8.687 8.687 8.538 0.149 18154 13569 1 18 . 1 1 94 94 ASP N N 94 119.304 119.304 120.835 -1.531 18154 13570 1 18 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.587 -0.327 18154 13571 1 18 . 1 1 94 94 ASP C C 94 176.978 176.978 178.039 -1.061 18154 13572 1 18 . 1 1 94 94 ASP CA C 94 53.607 53.607 51.475 2.131 18154 13573 1 18 . 1 1 94 94 ASP CB C 94 43.000 43.000 42.643 0.357 18154 13574 1 18 . 1 1 94 94 ASP H H 94 8.129 8.129 8.428 -0.299 18154 13575 1 18 . 1 1 95 95 SER N N 95 123.897 123.897 123.364 0.533 18154 13576 1 18 . 1 1 95 95 SER HA H 95 3.895 3.895 3.986 -0.091 18154 13577 1 18 . 1 1 95 95 SER C C 95 175.243 175.243 175.477 -0.234 18154 13578 1 18 . 1 1 95 95 SER CA C 95 60.183 60.183 60.692 -0.509 18154 13579 1 18 . 1 1 95 95 SER CB C 95 61.700 61.700 62.634 -0.934 18154 13580 1 18 . 1 1 95 95 SER H H 95 8.878 8.878 9.471 -0.593 18154 13581 1 18 . 1 1 96 96 SER N N 96 119.248 119.248 116.294 2.954 18154 13582 1 18 . 1 1 96 96 SER HA H 96 4.209 4.209 4.322 -0.113 18154 13583 1 18 . 1 1 96 96 SER C C 96 173.900 173.900 174.814 -0.914 18154 13584 1 18 . 1 1 96 96 SER CA C 96 60.197 60.197 59.657 0.540 18154 13585 1 18 . 1 1 96 96 SER CB C 96 63.000 63.000 63.748 -0.748 18154 13586 1 18 . 1 1 96 96 SER H H 96 9.124 9.124 8.419 0.705 18154 13587 1 18 . 1 1 97 97 TYR N N 97 120.889 120.889 121.956 -1.067 18154 13588 1 18 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.419 0.469 18154 13589 1 18 . 1 1 97 97 TYR C C 97 175.972 175.972 177.711 -1.739 18154 13590 1 18 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.967 -3.216 18154 13591 1 18 . 1 1 97 97 TYR CB C 97 39.820 39.820 38.688 1.132 18154 13592 1 18 . 1 1 97 97 TYR H H 97 7.664 7.664 8.141 -0.477 18154 13593 1 18 . 1 1 98 98 VAL N N 98 116.952 116.952 123.552 -6.600 18154 13594 1 18 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.750 0.310 18154 13595 1 18 . 1 1 98 98 VAL C C 98 175.969 175.969 176.209 -0.240 18154 13596 1 18 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.380 -2.540 18154 13597 1 18 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.326 1.274 18154 13598 1 18 . 1 1 98 98 VAL H H 98 7.970 7.970 8.677 -0.707 18154 13599 1 18 . 1 1 99 99 ASN N N 99 118.156 118.156 116.060 2.096 18154 13600 1 18 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.744 -0.233 18154 13601 1 18 . 1 1 99 99 ASN C C 99 174.329 174.329 176.258 -1.929 18154 13602 1 18 . 1 1 99 99 ASN CA C 99 53.031 53.031 52.806 0.225 18154 13603 1 18 . 1 1 99 99 ASN CB C 99 37.238 37.238 39.535 -2.297 18154 13604 1 18 . 1 1 99 99 ASN H H 99 8.296 8.296 7.805 0.491 18154 13605 1 18 . 1 1 100 100 PHE N N 100 118.649 118.649 121.068 -2.419 18154 13606 1 18 . 1 1 100 100 PHE HA H 100 4.415 4.415 3.958 0.457 18154 13607 1 18 . 1 1 100 100 PHE C C 100 174.400 174.400 175.407 -1.007 18154 13608 1 18 . 1 1 100 100 PHE CA C 100 58.190 58.190 60.914 -2.724 18154 13609 1 18 . 1 1 100 100 PHE CB C 100 39.679 39.679 37.879 1.800 18154 13610 1 18 . 1 1 100 100 PHE H H 100 7.855 7.855 8.136 -0.281 18154 13611 1 18 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.149 -0.564 18154 13612 1 18 . 1 1 101 101 CYS CA C 101 62.740 62.740 57.884 4.856 18154 13613 1 18 . 1 1 101 101 CYS CB C 101 26.000 26.000 27.126 -1.126 18154 13614 1 18 . 1 1 101 101 CYS H H 101 9.240 9.240 8.000 1.240 18154 13615 1 18 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.410 -0.190 18154 13616 1 18 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.375 0.825 18154 13617 1 18 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.618 -0.019 18154 13618 1 18 . 1 1 102 102 ASN H H 102 8.300 8.300 8.490 -0.190 18154 13619 1 18 . 1 1 103 103 GLY C C 103 175.690 175.690 175.704 -0.014 18154 13620 1 18 . 1 1 103 103 GLY CA C 103 47.350 47.350 46.813 0.537 18154 13621 1 18 . 1 1 104 104 GLY N N 104 106.150 106.150 109.929 -3.779 18154 13622 1 18 . 1 1 104 104 GLY C C 104 174.570 174.570 176.135 -1.565 18154 13623 1 18 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.460 0.890 18154 13624 1 18 . 1 1 104 104 GLY H H 104 7.108 7.108 7.688 -0.580 18154 13625 1 18 . 1 1 105 105 LYS N N 105 120.732 120.732 122.331 -1.599 18154 13626 1 18 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.920 0.017 18154 13627 1 18 . 1 1 105 105 LYS C C 105 179.706 179.706 178.962 0.744 18154 13628 1 18 . 1 1 105 105 LYS CA C 105 60.308 60.308 60.091 0.217 18154 13629 1 18 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.226 -0.429 18154 13630 1 18 . 1 1 105 105 LYS H H 105 7.708 7.708 7.671 0.037 18154 13631 1 18 . 1 1 106 106 GLN N N 106 119.087 119.087 118.556 0.531 18154 13632 1 18 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.079 0.063 18154 13633 1 18 . 1 1 106 106 GLN C C 106 179.418 179.418 178.484 0.934 18154 13634 1 18 . 1 1 106 106 GLN CA C 106 58.875 58.875 59.174 -0.299 18154 13635 1 18 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.633 0.126 18154 13636 1 18 . 1 1 106 106 GLN H H 106 8.738 8.738 8.440 0.298 18154 13637 1 18 . 1 1 107 107 PHE N N 107 123.088 123.088 120.068 3.020 18154 13638 1 18 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.340 -0.090 18154 13639 1 18 . 1 1 107 107 PHE C C 107 178.403 178.403 177.575 0.828 18154 13640 1 18 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.737 0.448 18154 13641 1 18 . 1 1 107 107 PHE CB C 107 39.451 39.451 39.111 0.340 18154 13642 1 18 . 1 1 107 107 PHE H H 107 7.922 7.922 8.165 -0.243 18154 13643 1 18 . 1 1 108 108 ASP N N 108 117.118 117.118 120.551 -3.433 18154 13644 1 18 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.449 -0.075 18154 13645 1 18 . 1 1 108 108 ASP C C 108 176.973 176.973 178.300 -1.327 18154 13646 1 18 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.697 0.733 18154 13647 1 18 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.053 3.070 18154 13648 1 18 . 1 1 108 108 ASP H H 108 8.305 8.305 8.330 -0.025 18154 13649 1 18 . 1 1 109 109 ALA N N 109 118.590 118.590 122.145 -3.555 18154 13650 1 18 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.046 0.004 18154 13651 1 18 . 1 1 109 109 ALA C C 109 180.430 180.430 179.352 1.078 18154 13652 1 18 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.054 0.142 18154 13653 1 18 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.604 -0.497 18154 13654 1 18 . 1 1 109 109 ALA H H 109 8.332 8.332 8.210 0.122 18154 13655 1 18 . 1 1 110 110 LEU N N 110 120.402 120.402 119.894 0.508 18154 13656 1 18 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.812 0.273 18154 13657 1 18 . 1 1 110 110 LEU C C 110 177.801 177.801 178.730 -0.929 18154 13658 1 18 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.733 -0.093 18154 13659 1 18 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.659 1.097 18154 13660 1 18 . 1 1 110 110 LEU H H 110 7.868 7.868 8.002 -0.134 18154 13661 1 18 . 1 1 111 111 LEU N N 111 116.945 116.945 116.697 0.248 18154 13662 1 18 . 1 1 111 111 LEU HA H 111 3.718 3.718 4.052 -0.334 18154 13663 1 18 . 1 1 111 111 LEU C C 111 179.838 179.838 179.794 0.044 18154 13664 1 18 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.136 0.829 18154 13665 1 18 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.213 -2.353 18154 13666 1 18 . 1 1 111 111 LEU H H 111 7.704 7.704 7.177 0.527 18154 13667 1 18 . 1 1 112 112 GLN N N 112 118.484 118.484 117.190 1.294 18154 13668 1 18 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.153 -0.012 18154 13669 1 18 . 1 1 112 112 GLN C C 112 181.218 181.218 178.036 3.182 18154 13670 1 18 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.709 1.257 18154 13671 1 18 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.287 0.973 18154 13672 1 18 . 1 1 112 112 GLN H H 112 8.441 8.441 8.040 0.401 18154 13673 1 18 . 1 1 113 113 GLU N N 113 122.905 122.905 115.821 7.084 18154 13674 1 18 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.151 0.030 18154 13675 1 18 . 1 1 113 113 GLU C C 113 178.001 178.001 177.314 0.687 18154 13676 1 18 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.538 1.448 18154 13677 1 18 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.467 -0.197 18154 13678 1 18 . 1 1 113 113 GLU H H 113 8.305 8.305 7.829 0.476 18154 13679 1 18 . 1 1 114 114 GLN N N 114 117.332 117.332 117.850 -0.518 18154 13680 1 18 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.288 0.307 18154 13681 1 18 . 1 1 114 114 GLN C C 114 174.538 174.538 176.718 -2.180 18154 13682 1 18 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.476 -1.059 18154 13683 1 18 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.651 -4.821 18154 13684 1 18 . 1 1 114 114 GLN H H 114 7.520 7.520 7.462 0.058 18154 13685 1 18 . 1 1 115 115 SER N N 115 109.100 109.100 109.751 -0.651 18154 13686 1 18 . 1 1 115 115 SER HA H 115 4.200 4.200 4.531 -0.331 18154 13687 1 18 . 1 1 115 115 SER C C 115 172.302 172.302 173.666 -1.364 18154 13688 1 18 . 1 1 115 115 SER CA C 115 60.400 60.400 58.508 1.892 18154 13689 1 18 . 1 1 115 115 SER CB C 115 61.325 61.325 66.050 -4.725 18154 13690 1 18 . 1 1 115 115 SER H H 115 7.950 7.950 7.817 0.133 18154 13691 1 18 . 1 1 116 116 ALA N N 116 121.059 121.059 125.804 -4.745 18154 13692 1 18 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.298 0.496 18154 13693 1 18 . 1 1 116 116 ALA C C 116 176.774 176.774 175.793 0.981 18154 13694 1 18 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.162 -0.472 18154 13695 1 18 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.689 0.676 18154 13696 1 18 . 1 1 116 116 ALA H H 116 7.813 7.813 7.866 -0.053 18154 13697 1 18 . 1 1 117 117 GLN N N 117 118.000 118.000 118.809 -0.809 18154 13698 1 18 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.724 -0.106 18154 13699 1 18 . 1 1 117 117 GLN C C 117 173.769 173.769 174.844 -1.075 18154 13700 1 18 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.678 -0.122 18154 13701 1 18 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.809 -1.074 18154 13702 1 18 . 1 1 117 117 GLN H H 117 8.591 8.591 8.340 0.251 18154 13703 1 18 . 1 1 118 118 ARG N N 118 127.947 127.947 125.628 2.319 18154 13704 1 18 . 1 1 118 118 ARG HA H 118 3.308 3.308 3.133 0.175 18154 13705 1 18 . 1 1 118 118 ARG C C 118 176.758 176.758 176.044 0.714 18154 13706 1 18 . 1 1 118 118 ARG CA C 118 56.186 56.186 56.541 -0.355 18154 13707 1 18 . 1 1 118 118 ARG CB C 118 30.310 30.310 30.982 -0.672 18154 13708 1 18 . 1 1 118 118 ARG H H 118 8.659 8.659 8.872 -0.213 18154 13709 1 18 . 1 1 119 119 VAL N N 119 131.939 131.939 124.850 7.089 18154 13710 1 18 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.108 0.005 18154 13711 1 18 . 1 1 119 119 VAL C C 119 176.775 176.775 175.900 0.875 18154 13712 1 18 . 1 1 119 119 VAL CA C 119 62.174 62.174 62.059 0.115 18154 13713 1 18 . 1 1 119 119 VAL CB C 119 32.394 32.394 32.882 -0.488 18154 13714 1 18 . 1 1 119 119 VAL H H 119 9.520 9.520 8.300 1.220 18154 13715 1 18 . 1 1 120 120 GLY N N 120 116.074 116.074 107.304 8.770 18154 13716 1 18 . 1 1 120 120 GLY C C 120 172.757 172.757 174.342 -1.585 18154 13717 1 18 . 1 1 120 120 GLY CA C 120 43.898 43.898 44.754 -0.856 18154 13718 1 18 . 1 1 120 120 GLY H H 120 8.755 8.755 8.336 0.419 18154 13719 1 18 . 1 1 121 121 GLU N N 121 118.754 118.754 120.325 -1.571 18154 13720 1 18 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.341 0.325 18154 13721 1 18 . 1 1 121 121 GLU C C 121 177.419 177.419 177.101 0.318 18154 13722 1 18 . 1 1 121 121 GLU CA C 121 54.491 54.491 57.300 -2.809 18154 13723 1 18 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.276 1.222 18154 13724 1 18 . 1 1 121 121 GLU H H 121 8.594 8.594 8.612 -0.018 18154 13725 1 18 . 1 1 122 122 MET N N 122 122.642 122.642 120.331 2.311 18154 13726 1 18 . 1 1 122 122 MET HA H 122 4.415 4.415 4.890 -0.475 18154 13727 1 18 . 1 1 122 122 MET C C 122 175.351 175.351 174.897 0.454 18154 13728 1 18 . 1 1 122 122 MET CA C 122 57.024 57.024 54.550 2.474 18154 13729 1 18 . 1 1 122 122 MET CB C 122 34.210 34.210 33.616 0.594 18154 13730 1 18 . 1 1 122 122 MET H H 122 8.892 8.892 8.414 0.478 18154 13731 1 18 . 1 1 123 123 LEU N N 123 129.535 129.535 122.000 7.535 18154 13732 1 18 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.466 -0.116 18154 13733 1 18 . 1 1 123 123 LEU C C 123 173.124 173.124 174.537 -1.413 18154 13734 1 18 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.022 0.717 18154 13735 1 18 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.842 -1.764 18154 13736 1 18 . 1 1 123 123 LEU H H 123 7.868 7.868 7.354 0.514 18154 13737 1 18 . 1 1 124 124 LEU N N 124 127.120 127.120 125.788 1.332 18154 13738 1 18 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.652 0.403 18154 13739 1 18 . 1 1 124 124 LEU C C 124 176.379 176.379 176.164 0.215 18154 13740 1 18 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.096 0.454 18154 13741 1 18 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.579 -1.201 18154 13742 1 18 . 1 1 124 124 LEU H H 124 8.346 8.346 8.272 0.074 18154 13743 1 18 . 1 1 125 125 ILE N N 125 124.337 124.337 125.041 -0.704 18154 13744 1 18 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.320 -0.140 18154 13745 1 18 . 1 1 125 125 ILE C C 125 174.303 174.303 175.130 -0.827 18154 13746 1 18 . 1 1 125 125 ILE CA C 125 61.100 61.100 61.993 -0.893 18154 13747 1 18 . 1 1 125 125 ILE CB C 125 39.943 39.943 39.911 0.032 18154 13748 1 18 . 1 1 125 125 ILE H H 125 8.974 8.974 8.655 0.319 18154 13749 1 18 . 1 1 126 126 ASP N N 126 127.113 127.113 128.633 -1.520 18154 13750 1 18 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.527 -0.412 18154 13751 1 18 . 1 1 126 126 ASP C C 126 176.766 176.766 176.199 0.567 18154 13752 1 18 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.014 -0.167 18154 13753 1 18 . 1 1 126 126 ASP CB C 126 41.100 41.100 42.424 -1.324 18154 13754 1 18 . 1 1 126 126 ASP H H 126 9.397 9.397 8.429 0.968 18154 13755 1 18 . 1 1 127 127 ALA N N 127 131.178 131.178 130.619 0.559 18154 13756 1 18 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.687 -0.371 18154 13757 1 18 . 1 1 127 127 ALA C C 127 178.530 178.530 178.343 0.187 18154 13758 1 18 . 1 1 127 127 ALA CA C 127 53.847 53.847 53.975 -0.128 18154 13759 1 18 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.184 -0.393 18154 13760 1 18 . 1 1 127 127 ALA H H 127 9.696 9.696 9.016 0.680 18154 13761 1 18 . 1 1 128 128 SER N N 128 112.064 112.064 112.082 -0.018 18154 13762 1 18 . 1 1 128 128 SER HA H 128 4.224 4.224 4.382 -0.158 18154 13763 1 18 . 1 1 128 128 SER C C 128 175.000 175.000 175.503 -0.503 18154 13764 1 18 . 1 1 128 128 SER CA C 128 61.246 61.246 60.424 0.822 18154 13765 1 18 . 1 1 128 128 SER CB C 128 63.310 63.310 63.531 -0.221 18154 13766 1 18 . 1 1 128 128 SER H H 128 8.373 8.373 8.104 0.269 18154 13767 1 18 . 1 1 129 129 GLU N N 129 119.468 119.468 119.885 -0.417 18154 13768 1 18 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.432 -0.032 18154 13769 1 18 . 1 1 129 129 GLU C C 129 175.947 175.947 176.074 -0.127 18154 13770 1 18 . 1 1 129 129 GLU CA C 129 56.415 56.415 57.023 -0.608 18154 13771 1 18 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.456 0.274 18154 13772 1 18 . 1 1 129 129 GLU H H 129 7.267 7.267 7.560 -0.293 18154 13773 1 18 . 1 1 130 130 ASN N N 130 115.968 115.968 117.696 -1.728 18154 13774 1 18 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.116 0.050 18154 13775 1 18 . 1 1 130 130 ASN C C 130 172.000 172.000 173.794 -1.794 18154 13776 1 18 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.884 -0.661 18154 13777 1 18 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.887 -0.221 18154 13778 1 18 . 1 1 130 130 ASN H H 130 8.072 8.072 8.085 -0.013 18154 13779 1 18 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.629 -0.079 18154 13780 1 18 . 1 1 131 131 PRO C C 131 176.400 176.400 176.272 0.128 18154 13781 1 18 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.716 -0.216 18154 13782 1 18 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.850 0.450 18154 13783 1 18 . 1 1 132 132 GLU N N 132 119.000 119.000 118.874 0.126 18154 13784 1 18 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.928 0.092 18154 13785 1 18 . 1 1 132 132 GLU C C 132 174.200 174.200 175.132 -0.932 18154 13786 1 18 . 1 1 132 132 GLU CA C 132 53.000 53.000 52.977 0.023 18154 13787 1 18 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.525 0.175 18154 13788 1 18 . 1 1 132 132 GLU H H 132 7.690 7.690 8.174 -0.484 18154 13789 1 18 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.242 -0.242 18154 13790 1 18 . 1 1 133 133 PRO C C 133 177.391 177.391 178.149 -0.758 18154 13791 1 18 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.357 0.112 18154 13792 1 18 . 1 1 133 133 PRO CB C 133 32.145 32.145 32.051 0.094 18154 13793 1 18 . 1 1 134 134 GLU N N 134 122.846 122.846 117.722 5.124 18154 13794 1 18 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.197 1.023 18154 13795 1 18 . 1 1 134 134 GLU C C 134 178.385 178.385 178.620 -0.235 18154 13796 1 18 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.460 -1.868 18154 13797 1 18 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.240 -1.650 18154 13798 1 18 . 1 1 134 134 GLU H H 134 10.707 10.707 8.909 1.798 18154 13799 1 18 . 1 1 135 135 THR N N 135 113.016 113.016 111.451 1.565 18154 13800 1 18 . 1 1 135 135 THR HA H 135 4.182 4.182 4.252 -0.070 18154 13801 1 18 . 1 1 135 135 THR C C 135 176.460 176.460 175.808 0.652 18154 13802 1 18 . 1 1 135 135 THR CA C 135 64.752 64.752 64.940 -0.188 18154 13803 1 18 . 1 1 135 135 THR CB C 135 69.248 69.248 68.722 0.526 18154 13804 1 18 . 1 1 135 135 THR H H 135 8.168 8.168 7.965 0.203 18154 13805 1 18 . 1 1 136 136 GLU N N 136 118.978 118.978 121.654 -2.676 18154 13806 1 18 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.428 0.136 18154 13807 1 18 . 1 1 136 136 GLU C C 136 178.370 178.370 178.669 -0.299 18154 13808 1 18 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.578 -1.665 18154 13809 1 18 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.621 1.479 18154 13810 1 18 . 1 1 136 136 GLU H H 136 7.680 7.680 7.612 0.068 18154 13811 1 18 . 1 1 137 137 SER N N 137 116.501 116.501 115.606 0.895 18154 13812 1 18 . 1 1 137 137 SER HA H 137 4.033 4.033 4.256 -0.223 18154 13813 1 18 . 1 1 137 137 SER C C 137 175.670 175.670 176.624 -0.954 18154 13814 1 18 . 1 1 137 137 SER CA C 137 62.330 62.330 61.842 0.488 18154 13815 1 18 . 1 1 137 137 SER CB C 137 61.380 61.380 63.048 -1.668 18154 13816 1 18 . 1 1 137 137 SER H H 137 8.824 8.824 8.259 0.565 18154 13817 1 18 . 1 1 138 138 ASN N N 138 123.517 123.517 121.560 1.957 18154 13818 1 18 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.714 -0.123 18154 13819 1 18 . 1 1 138 138 ASN C C 138 175.700 175.700 175.344 0.356 18154 13820 1 18 . 1 1 138 138 ASN CA C 138 57.486 57.486 58.035 -0.549 18154 13821 1 18 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.117 -2.864 18154 13822 1 18 . 1 1 138 138 ASN H H 138 8.564 8.564 8.600 -0.036 18154 13823 1 18 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.321 0.134 18154 13824 1 18 . 1 1 139 139 PRO C C 139 180.033 180.033 178.422 1.611 18154 13825 1 18 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.280 0.330 18154 13826 1 18 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.300 -0.764 18154 13827 1 18 . 1 1 140 140 TRP N N 140 119.700 119.700 121.803 -2.103 18154 13828 1 18 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.421 -0.088 18154 13829 1 18 . 1 1 140 140 TRP C C 140 179.195 179.195 178.048 1.147 18154 13830 1 18 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.896 0.284 18154 13831 1 18 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.549 1.202 18154 13832 1 18 . 1 1 140 140 TRP H H 140 7.057 7.057 7.498 -0.441 18154 13833 1 18 . 1 1 141 141 VAL N N 141 122.879 122.879 119.254 3.625 18154 13834 1 18 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.712 0.024 18154 13835 1 18 . 1 1 141 141 VAL C C 141 177.416 177.416 178.558 -1.142 18154 13836 1 18 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.166 -0.450 18154 13837 1 18 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.623 -0.191 18154 13838 1 18 . 1 1 141 141 VAL H H 141 9.629 9.629 8.924 0.705 18154 13839 1 18 . 1 1 142 142 GLU N N 142 119.965 119.965 119.322 0.643 18154 13840 1 18 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.991 -0.259 18154 13841 1 18 . 1 1 142 142 GLU C C 142 178.800 178.800 178.762 0.038 18154 13842 1 18 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.317 0.015 18154 13843 1 18 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.300 0.260 18154 13844 1 18 . 1 1 142 142 GLU H H 142 8.551 8.551 8.219 0.332 18154 13845 1 18 . 1 1 143 143 GLN N N 143 115.364 115.364 119.969 -4.605 18154 13846 1 18 . 1 1 143 143 GLN HA H 143 4.290 4.290 4.060 0.230 18154 13847 1 18 . 1 1 143 143 GLN C C 143 177.840 177.840 177.931 -0.091 18154 13848 1 18 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.329 1.034 18154 13849 1 18 . 1 1 143 143 GLN CB C 143 29.362 29.362 28.402 0.960 18154 13850 1 18 . 1 1 143 143 GLN H H 143 7.380 7.380 7.874 -0.494 18154 13851 1 18 . 1 1 144 144 TRP N N 144 126.680 126.680 122.004 4.676 18154 13852 1 18 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.989 -0.655 18154 13853 1 18 . 1 1 144 144 TRP C C 144 178.200 178.200 178.587 -0.387 18154 13854 1 18 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.790 2.170 18154 13855 1 18 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.304 0.221 18154 13856 1 18 . 1 1 144 144 TRP H H 144 9.215 9.215 8.571 0.644 18154 13857 1 18 . 1 1 145 145 GLY N N 145 100.130 100.130 105.380 -5.250 18154 13858 1 18 . 1 1 145 145 GLY C C 145 177.391 177.391 175.535 1.856 18154 13859 1 18 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.055 -0.295 18154 13860 1 18 . 1 1 145 145 GLY H H 145 8.834 8.834 8.647 0.187 18154 13861 1 18 . 1 1 146 146 THR N N 146 110.831 110.831 113.139 -2.308 18154 13862 1 18 . 1 1 146 146 THR HA H 146 4.319 4.319 4.048 0.271 18154 13863 1 18 . 1 1 146 146 THR C C 146 175.574 175.574 175.531 0.043 18154 13864 1 18 . 1 1 146 146 THR CA C 146 63.260 63.260 64.364 -1.104 18154 13865 1 18 . 1 1 146 146 THR CB C 146 69.660 69.660 68.733 0.927 18154 13866 1 18 . 1 1 146 146 THR H H 146 7.594 7.594 7.566 0.028 18154 13867 1 18 . 1 1 147 147 LEU N N 147 120.678 120.678 120.206 0.472 18154 13868 1 18 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.188 -0.130 18154 13869 1 18 . 1 1 147 147 LEU C C 147 177.176 177.176 176.651 0.525 18154 13870 1 18 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.504 -1.190 18154 13871 1 18 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.532 -0.304 18154 13872 1 18 . 1 1 147 147 LEU H H 147 7.458 7.458 7.569 -0.111 18154 13873 1 18 . 1 1 148 148 LEU N N 148 117.062 117.062 118.394 -1.332 18154 13874 1 18 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.712 0.006 18154 13875 1 18 . 1 1 148 148 LEU C C 148 175.570 175.570 177.071 -1.501 18154 13876 1 18 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.747 -0.796 18154 13877 1 18 . 1 1 148 148 LEU CB C 148 39.600 39.600 40.453 -0.853 18154 13878 1 18 . 1 1 148 148 LEU H H 148 6.482 6.482 7.022 -0.540 18154 13879 1 19 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.512 -0.283 18154 13880 1 19 . 1 1 2 2 ALA C C 2 173.315 173.315 175.615 -2.300 18154 13881 1 19 . 1 1 2 2 ALA CA C 2 51.580 51.580 52.662 -1.082 18154 13882 1 19 . 1 1 2 2 ALA CB C 2 20.223 20.223 19.800 0.423 18154 13883 1 19 . 1 1 3 3 GLU N N 3 121.874 121.874 121.818 0.056 18154 13884 1 19 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.508 -0.234 18154 13885 1 19 . 1 1 3 3 GLU C C 3 174.545 174.545 175.308 -0.763 18154 13886 1 19 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.565 0.285 18154 13887 1 19 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.847 -1.127 18154 13888 1 19 . 1 1 3 3 GLU H H 3 8.696 8.696 8.430 0.266 18154 13889 1 19 . 1 1 4 4 ILE N N 4 120.672 120.672 124.777 -4.105 18154 13890 1 19 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.701 0.408 18154 13891 1 19 . 1 1 4 4 ILE C C 4 175.463 175.463 174.749 0.714 18154 13892 1 19 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.088 -0.255 18154 13893 1 19 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.604 3.066 18154 13894 1 19 . 1 1 4 4 ILE H H 4 8.860 8.860 9.254 -0.394 18154 13895 1 19 . 1 1 5 5 GLY N N 5 119.310 119.310 114.598 4.712 18154 13896 1 19 . 1 1 5 5 GLY C C 5 171.260 171.260 172.733 -1.473 18154 13897 1 19 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.204 0.616 18154 13898 1 19 . 1 1 5 5 GLY H H 5 8.469 8.469 8.225 0.244 18154 13899 1 19 . 1 1 6 6 ILE N N 6 126.915 126.915 125.967 0.948 18154 13900 1 19 . 1 1 6 6 ILE HA H 6 5.190 5.190 4.967 0.223 18154 13901 1 19 . 1 1 6 6 ILE C C 6 173.901 173.901 174.363 -0.462 18154 13902 1 19 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.609 -0.609 18154 13903 1 19 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.662 -1.662 18154 13904 1 19 . 1 1 6 6 ILE H H 6 9.056 9.056 9.076 -0.020 18154 13905 1 19 . 1 1 7 7 PHE N N 7 127.354 127.354 127.106 0.248 18154 13906 1 19 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.079 -0.567 18154 13907 1 19 . 1 1 7 7 PHE C C 7 174.230 174.230 174.591 -0.361 18154 13908 1 19 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.377 2.033 18154 13909 1 19 . 1 1 7 7 PHE CB C 7 41.728 41.728 41.216 0.512 18154 13910 1 19 . 1 1 7 7 PHE H H 7 8.960 8.960 9.370 -0.410 18154 13911 1 19 . 1 1 8 8 VAL HA H 8 5.060 5.060 5.148 -0.088 18154 13912 1 19 . 1 1 8 8 VAL C C 8 175.450 175.450 175.775 -0.325 18154 13913 1 19 . 1 1 8 8 VAL CA C 8 61.200 61.200 59.598 1.602 18154 13914 1 19 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.165 0.272 18154 13915 1 19 . 1 1 9 9 GLY N N 9 115.000 115.000 117.964 -2.964 18154 13916 1 19 . 1 1 9 9 GLY C C 9 173.150 173.150 173.454 -0.304 18154 13917 1 19 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.119 0.881 18154 13918 1 19 . 1 1 9 9 GLY H H 9 9.393 9.393 9.011 0.382 18154 13919 1 19 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.278 0.417 18154 13920 1 19 . 1 1 12 12 TYR C C 12 176.560 176.560 176.470 0.090 18154 13921 1 19 . 1 1 12 12 TYR CA C 12 57.750 57.750 60.964 -3.214 18154 13922 1 19 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.391 -0.391 18154 13923 1 19 . 1 1 13 13 GLY N N 13 109.870 109.870 105.295 4.575 18154 13924 1 19 . 1 1 13 13 GLY C C 13 175.930 175.930 174.753 1.177 18154 13925 1 19 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.445 1.555 18154 13926 1 19 . 1 1 13 13 GLY H H 13 8.500 8.500 8.569 -0.069 18154 13927 1 19 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.420 -0.190 18154 13928 1 19 . 1 1 17 17 LEU C C 17 179.210 179.210 176.911 2.299 18154 13929 1 19 . 1 1 17 17 LEU CA C 17 58.400 58.400 55.940 2.460 18154 13930 1 19 . 1 1 17 17 LEU CB C 17 41.300 41.300 42.473 -1.173 18154 13931 1 19 . 1 1 18 18 VAL N N 18 117.231 117.231 121.457 -4.226 18154 13932 1 19 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.578 -0.255 18154 13933 1 19 . 1 1 18 18 VAL C C 18 178.460 178.460 177.337 1.123 18154 13934 1 19 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.189 0.677 18154 13935 1 19 . 1 1 18 18 VAL CB C 18 31.460 31.460 31.572 -0.112 18154 13936 1 19 . 1 1 18 18 VAL H H 18 7.645 7.645 8.590 -0.945 18154 13937 1 19 . 1 1 19 19 ALA N N 19 121.820 121.820 120.955 0.865 18154 13938 1 19 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.924 -0.108 18154 13939 1 19 . 1 1 19 19 ALA C C 19 178.180 178.180 179.503 -1.323 18154 13940 1 19 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.319 0.257 18154 13941 1 19 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.078 1.923 18154 13942 1 19 . 1 1 19 19 ALA H H 19 8.010 8.010 8.326 -0.316 18154 13943 1 19 . 1 1 20 20 GLU N N 20 118.960 118.960 118.087 0.873 18154 13944 1 19 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.009 0.007 18154 13945 1 19 . 1 1 20 20 GLU C C 20 180.950 180.950 179.474 1.476 18154 13946 1 19 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.281 0.385 18154 13947 1 19 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.046 0.254 18154 13948 1 19 . 1 1 20 20 GLU H H 20 8.700 8.700 7.913 0.787 18154 13949 1 19 . 1 1 21 21 GLU N N 21 121.371 121.371 119.533 1.838 18154 13950 1 19 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.109 -0.065 18154 13951 1 19 . 1 1 21 21 GLU C C 21 179.419 179.419 178.832 0.587 18154 13952 1 19 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.062 0.248 18154 13953 1 19 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.330 0.231 18154 13954 1 19 . 1 1 21 21 GLU H H 21 8.632 8.632 7.761 0.871 18154 13955 1 19 . 1 1 22 22 ALA N N 22 121.329 121.329 122.982 -1.653 18154 13956 1 19 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.048 0.010 18154 13957 1 19 . 1 1 22 22 ALA C C 22 178.823 178.823 179.367 -0.544 18154 13958 1 19 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.606 -0.930 18154 13959 1 19 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.118 -0.475 18154 13960 1 19 . 1 1 22 22 ALA H H 22 8.182 8.182 8.648 -0.466 18154 13961 1 19 . 1 1 23 23 GLU N N 23 119.035 119.035 119.238 -0.203 18154 13962 1 19 . 1 1 23 23 GLU HA H 23 3.404 3.404 3.998 -0.594 18154 13963 1 19 . 1 1 23 23 GLU C C 23 178.375 178.375 178.645 -0.270 18154 13964 1 19 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.649 0.659 18154 13965 1 19 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.623 -0.693 18154 13966 1 19 . 1 1 23 23 GLU H H 23 8.387 8.387 8.423 -0.036 18154 13967 1 19 . 1 1 24 24 ALA N N 24 122.207 122.207 122.228 -0.021 18154 13968 1 19 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.096 -0.066 18154 13969 1 19 . 1 1 24 24 ALA C C 24 181.132 181.132 179.882 1.250 18154 13970 1 19 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.109 0.378 18154 13971 1 19 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.620 -0.621 18154 13972 1 19 . 1 1 24 24 ALA H H 24 7.535 7.535 7.788 -0.253 18154 13973 1 19 . 1 1 25 25 ILE N N 25 121.059 121.059 120.045 1.014 18154 13974 1 19 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.714 -0.050 18154 13975 1 19 . 1 1 25 25 ILE C C 25 178.419 178.419 177.914 0.505 18154 13976 1 19 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.049 -0.941 18154 13977 1 19 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.137 0.826 18154 13978 1 19 . 1 1 25 25 ILE H H 25 7.800 7.800 8.560 -0.760 18154 13979 1 19 . 1 1 26 26 LEU N N 26 119.307 119.307 120.638 -1.331 18154 13980 1 19 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.197 -0.021 18154 13981 1 19 . 1 1 26 26 LEU C C 26 179.863 179.863 179.724 0.139 18154 13982 1 19 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.411 -0.465 18154 13983 1 19 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.444 -0.304 18154 13984 1 19 . 1 1 26 26 LEU H H 26 8.509 8.509 8.573 -0.064 18154 13985 1 19 . 1 1 27 27 THR N N 27 117.830 117.830 115.803 2.027 18154 13986 1 19 . 1 1 27 27 THR HA H 27 4.524 4.524 4.344 0.180 18154 13987 1 19 . 1 1 27 27 THR C C 27 179.027 179.027 176.448 2.579 18154 13988 1 19 . 1 1 27 27 THR CA C 27 66.000 66.000 66.447 -0.447 18154 13989 1 19 . 1 1 27 27 THR CB C 27 68.600 68.600 68.852 -0.252 18154 13990 1 19 . 1 1 27 27 THR H H 27 8.796 8.796 8.567 0.229 18154 13991 1 19 . 1 1 28 28 ALA N N 28 126.313 126.313 122.765 3.548 18154 13992 1 19 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.165 0.040 18154 13993 1 19 . 1 1 28 28 ALA C C 28 179.360 179.360 179.441 -0.081 18154 13994 1 19 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.404 0.596 18154 13995 1 19 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.274 -0.624 18154 13996 1 19 . 1 1 28 28 ALA H H 28 7.832 7.832 7.963 -0.131 18154 13997 1 19 . 1 1 29 29 GLN N N 29 115.527 115.527 116.859 -1.332 18154 13998 1 19 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.087 0.040 18154 13999 1 19 . 1 1 29 29 GLN C C 29 176.547 176.547 177.031 -0.484 18154 14000 1 19 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.274 -0.711 18154 14001 1 19 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.577 -0.167 18154 14002 1 19 . 1 1 29 29 GLN H H 29 7.353 7.353 8.232 -0.879 18154 14003 1 19 . 1 1 30 30 GLY N N 30 105.961 105.961 105.338 0.623 18154 14004 1 19 . 1 1 30 30 GLY C C 30 174.785 174.785 174.074 0.711 18154 14005 1 19 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.484 0.016 18154 14006 1 19 . 1 1 30 30 GLY H H 30 7.923 7.923 7.687 0.236 18154 14007 1 19 . 1 1 31 31 HIS N N 31 119.471 119.471 117.627 1.844 18154 14008 1 19 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.793 0.042 18154 14009 1 19 . 1 1 31 31 HIS C C 31 174.665 174.665 174.116 0.549 18154 14010 1 19 . 1 1 31 31 HIS CA C 31 55.842 55.842 55.216 0.626 18154 14011 1 19 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.362 0.638 18154 14012 1 19 . 1 1 31 31 HIS H H 31 7.558 7.558 8.129 -0.571 18154 14013 1 19 . 1 1 32 32 LYS N N 32 121.854 121.854 120.996 0.858 18154 14014 1 19 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.571 0.152 18154 14015 1 19 . 1 1 32 32 LYS C C 32 174.466 174.466 174.430 0.036 18154 14016 1 19 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.725 0.140 18154 14017 1 19 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.658 0.302 18154 14018 1 19 . 1 1 32 32 LYS H H 32 8.665 8.665 8.463 0.202 18154 14019 1 19 . 1 1 33 33 ALA N N 33 130.188 130.188 129.322 0.866 18154 14020 1 19 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.663 0.155 18154 14021 1 19 . 1 1 33 33 ALA C C 33 175.567 175.567 176.343 -0.776 18154 14022 1 19 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.547 -0.571 18154 14023 1 19 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.813 0.484 18154 14024 1 19 . 1 1 33 33 ALA H H 33 8.837 8.837 7.977 0.860 18154 14025 1 19 . 1 1 34 34 THR N N 34 117.164 117.164 117.327 -0.163 18154 14026 1 19 . 1 1 34 34 THR HA H 34 4.359 4.359 4.778 -0.419 18154 14027 1 19 . 1 1 34 34 THR C C 34 171.315 171.315 173.508 -2.193 18154 14028 1 19 . 1 1 34 34 THR CA C 34 61.840 61.840 60.915 0.925 18154 14029 1 19 . 1 1 34 34 THR CB C 34 71.800 71.800 72.322 -0.522 18154 14030 1 19 . 1 1 34 34 THR H H 34 7.826 7.826 8.633 -0.807 18154 14031 1 19 . 1 1 35 35 VAL N N 35 126.650 126.650 124.091 2.559 18154 14032 1 19 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.296 -0.113 18154 14033 1 19 . 1 1 35 35 VAL C C 35 174.675 174.675 175.142 -0.467 18154 14034 1 19 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.800 0.128 18154 14035 1 19 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.666 -0.016 18154 14036 1 19 . 1 1 35 35 VAL H H 35 8.496 8.496 8.657 -0.161 18154 14037 1 19 . 1 1 36 36 PHE N N 36 127.630 127.630 126.910 0.720 18154 14038 1 19 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.674 -0.123 18154 14039 1 19 . 1 1 36 36 PHE C C 36 174.347 174.347 174.506 -0.159 18154 14040 1 19 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.526 0.956 18154 14041 1 19 . 1 1 36 36 PHE CB C 36 40.165 40.165 39.926 0.239 18154 14042 1 19 . 1 1 36 36 PHE H H 36 9.164 9.164 9.112 0.052 18154 14043 1 19 . 1 1 37 37 GLU N N 37 123.516 123.516 124.573 -1.057 18154 14044 1 19 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.355 0.115 18154 14045 1 19 . 1 1 37 37 GLU C C 37 175.954 175.954 176.341 -0.387 18154 14046 1 19 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.591 -0.872 18154 14047 1 19 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.761 0.699 18154 14048 1 19 . 1 1 37 37 GLU H H 37 8.455 8.455 8.520 -0.064 18154 14049 1 19 . 1 1 38 38 ASP N N 38 120.395 120.395 120.751 -0.356 18154 14050 1 19 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.444 0.389 18154 14051 1 19 . 1 1 38 38 ASP C C 38 173.920 173.920 174.481 -0.561 18154 14052 1 19 . 1 1 38 38 ASP CA C 38 54.477 54.477 53.845 0.632 18154 14053 1 19 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.461 0.144 18154 14054 1 19 . 1 1 38 38 ASP H H 38 9.602 9.602 8.591 1.011 18154 14055 1 19 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.519 0.161 18154 14056 1 19 . 1 1 39 39 PRO C C 39 176.274 176.274 176.547 -0.273 18154 14057 1 19 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.764 -0.780 18154 14058 1 19 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.578 1.822 18154 14059 1 19 . 1 1 40 40 GLU N N 40 119.026 119.026 124.576 -5.550 18154 14060 1 19 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.509 0.219 18154 14061 1 19 . 1 1 40 40 GLU C C 40 177.827 177.827 177.619 0.208 18154 14062 1 19 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.078 -1.108 18154 14063 1 19 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.073 2.327 18154 14064 1 19 . 1 1 40 40 GLU H H 40 9.178 9.178 8.708 0.470 18154 14065 1 19 . 1 1 41 41 LEU N N 41 123.708 123.708 125.771 -2.063 18154 14066 1 19 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.188 -0.294 18154 14067 1 19 . 1 1 41 41 LEU C C 41 178.730 178.730 177.946 0.784 18154 14068 1 19 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.691 0.716 18154 14069 1 19 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.755 -0.102 18154 14070 1 19 . 1 1 41 41 LEU H H 41 9.160 9.160 8.847 0.313 18154 14071 1 19 . 1 1 42 42 SER N N 42 110.500 110.500 114.374 -3.874 18154 14072 1 19 . 1 1 42 42 SER HA H 42 4.010 4.010 4.289 -0.279 18154 14073 1 19 . 1 1 42 42 SER C C 42 176.300 176.300 175.021 1.279 18154 14074 1 19 . 1 1 42 42 SER CA C 42 61.600 61.600 60.743 0.857 18154 14075 1 19 . 1 1 42 42 SER CB C 42 62.140 62.140 62.802 -0.662 18154 14076 1 19 . 1 1 42 42 SER H H 42 8.415 8.415 8.568 -0.153 18154 14077 1 19 . 1 1 43 43 ASP N N 43 119.770 119.770 120.516 -0.746 18154 14078 1 19 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.746 -0.289 18154 14079 1 19 . 1 1 43 43 ASP C C 43 176.150 176.150 176.108 0.042 18154 14080 1 19 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.126 1.624 18154 14081 1 19 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.270 1.429 18154 14082 1 19 . 1 1 43 43 ASP H H 43 7.690 7.690 7.975 -0.285 18154 14083 1 19 . 1 1 44 44 TRP N N 44 118.500 118.500 121.186 -2.686 18154 14084 1 19 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.317 -0.107 18154 14085 1 19 . 1 1 44 44 TRP C C 44 177.150 177.150 177.630 -0.480 18154 14086 1 19 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.575 0.812 18154 14087 1 19 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.055 0.255 18154 14088 1 19 . 1 1 44 44 TRP H H 44 7.464 7.464 7.263 0.201 18154 14089 1 19 . 1 1 45 45 LEU N N 45 114.100 114.100 121.247 -7.147 18154 14090 1 19 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.074 0.101 18154 14091 1 19 . 1 1 45 45 LEU C C 45 176.300 176.300 175.844 0.456 18154 14092 1 19 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.264 -0.703 18154 14093 1 19 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.450 -0.230 18154 14094 1 19 . 1 1 45 45 LEU H H 45 7.550 7.550 8.583 -1.033 18154 14095 1 19 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.183 0.197 18154 14096 1 19 . 1 1 46 46 PRO C C 46 176.799 176.799 177.647 -0.848 18154 14097 1 19 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.722 0.565 18154 14098 1 19 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.240 0.360 18154 14099 1 19 . 1 1 47 47 TYR N N 47 113.790 113.790 116.201 -2.411 18154 14100 1 19 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.531 -0.411 18154 14101 1 19 . 1 1 47 47 TYR C C 47 175.730 175.730 177.664 -1.934 18154 14102 1 19 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.859 1.341 18154 14103 1 19 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.520 0.495 18154 14104 1 19 . 1 1 47 47 TYR H H 47 8.291 8.291 8.135 0.156 18154 14105 1 19 . 1 1 48 48 GLN N N 48 116.524 116.524 120.719 -4.195 18154 14106 1 19 . 1 1 48 48 GLN HA H 48 3.885 3.885 4.002 -0.117 18154 14107 1 19 . 1 1 48 48 GLN C C 48 174.381 174.381 176.509 -2.128 18154 14108 1 19 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.425 0.401 18154 14109 1 19 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.910 2.090 18154 14110 1 19 . 1 1 48 48 GLN H H 48 7.300 7.300 7.546 -0.246 18154 14111 1 19 . 1 1 49 49 ASP N N 49 114.657 114.657 113.952 0.705 18154 14112 1 19 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.721 -0.034 18154 14113 1 19 . 1 1 49 49 ASP C C 49 176.307 176.307 175.575 0.732 18154 14114 1 19 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.477 -1.742 18154 14115 1 19 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.446 -1.246 18154 14116 1 19 . 1 1 49 49 ASP H H 49 7.854 7.854 8.404 -0.550 18154 14117 1 19 . 1 1 50 50 LYS N N 50 123.514 123.514 118.055 5.459 18154 14118 1 19 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.103 0.487 18154 14119 1 19 . 1 1 50 50 LYS C C 50 172.964 172.964 175.471 -2.507 18154 14120 1 19 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.072 -0.379 18154 14121 1 19 . 1 1 50 50 LYS CB C 50 33.355 33.355 34.859 -1.504 18154 14122 1 19 . 1 1 50 50 LYS H H 50 7.833 7.833 7.576 0.257 18154 14123 1 19 . 1 1 51 51 TYR N N 51 118.375 118.375 115.682 2.693 18154 14124 1 19 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.791 0.264 18154 14125 1 19 . 1 1 51 51 TYR C C 51 175.875 175.875 176.144 -0.269 18154 14126 1 19 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.474 0.947 18154 14127 1 19 . 1 1 51 51 TYR CB C 51 42.477 42.477 40.645 1.832 18154 14128 1 19 . 1 1 51 51 TYR H H 51 7.745 7.745 8.093 -0.348 18154 14129 1 19 . 1 1 52 52 VAL N N 52 112.527 112.527 115.885 -3.358 18154 14130 1 19 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.941 0.559 18154 14131 1 19 . 1 1 52 52 VAL C C 52 173.910 173.910 174.286 -0.376 18154 14132 1 19 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.741 -2.045 18154 14133 1 19 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.128 1.364 18154 14134 1 19 . 1 1 52 52 VAL H H 52 8.673 8.673 8.532 0.141 18154 14135 1 19 . 1 1 53 53 LEU N N 53 124.294 124.294 124.388 -0.094 18154 14136 1 19 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.093 -0.193 18154 14137 1 19 . 1 1 53 53 LEU C C 53 175.070 175.070 174.617 0.453 18154 14138 1 19 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.575 -1.010 18154 14139 1 19 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.356 -1.127 18154 14140 1 19 . 1 1 53 53 LEU H H 53 9.137 9.137 9.103 0.034 18154 14141 1 19 . 1 1 54 54 VAL N N 54 127.850 127.850 126.331 1.519 18154 14142 1 19 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.659 -0.149 18154 14143 1 19 . 1 1 54 54 VAL C C 54 174.030 174.030 174.441 -0.411 18154 14144 1 19 . 1 1 54 54 VAL CA C 54 61.825 61.825 61.170 0.654 18154 14145 1 19 . 1 1 54 54 VAL CB C 54 32.691 32.691 32.769 -0.078 18154 14146 1 19 . 1 1 54 54 VAL H H 54 8.619 8.619 8.909 -0.290 18154 14147 1 19 . 1 1 55 55 VAL N N 55 127.181 127.181 126.990 0.191 18154 14148 1 19 . 1 1 55 55 VAL HA H 55 5.085 5.085 5.025 0.060 18154 14149 1 19 . 1 1 55 55 VAL C C 55 174.942 174.942 174.796 0.146 18154 14150 1 19 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.584 -0.515 18154 14151 1 19 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.638 -0.416 18154 14152 1 19 . 1 1 55 55 VAL H H 55 8.578 8.578 8.829 -0.251 18154 14153 1 19 . 1 1 56 56 THR N N 56 117.420 117.420 122.503 -5.083 18154 14154 1 19 . 1 1 56 56 THR HA H 56 5.590 5.590 4.936 0.654 18154 14155 1 19 . 1 1 56 56 THR C C 56 172.640 172.640 172.801 -0.161 18154 14156 1 19 . 1 1 56 56 THR CA C 56 59.359 59.359 60.748 -1.389 18154 14157 1 19 . 1 1 56 56 THR CB C 56 70.715 70.715 70.311 0.404 18154 14158 1 19 . 1 1 56 56 THR H H 56 8.710 8.710 8.905 -0.195 18154 14159 1 19 . 1 1 57 57 SER HA H 57 5.250 5.250 5.029 0.221 18154 14160 1 19 . 1 1 57 57 SER CA C 57 57.730 57.730 57.261 0.469 18154 14161 1 19 . 1 1 57 57 SER CB C 57 64.500 64.500 65.437 -0.937 18154 14162 1 19 . 1 1 57 57 SER H H 57 8.075 8.075 8.170 -0.095 18154 14163 1 19 . 1 1 58 58 THR H H 58 7.900 7.900 8.756 -0.856 18154 14164 1 19 . 1 1 59 59 THR HA H 59 4.900 4.900 4.046 0.854 18154 14165 1 19 . 1 1 59 59 THR CA C 59 61.200 61.200 64.724 -3.524 18154 14166 1 19 . 1 1 59 59 THR CB C 59 73.400 73.400 69.459 3.941 18154 14167 1 19 . 1 1 59 59 THR H H 59 9.230 9.230 7.430 1.800 18154 14168 1 19 . 1 1 60 60 GLY CA C 60 46.500 46.500 44.588 1.912 18154 14169 1 19 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.266 0.140 18154 14170 1 19 . 1 1 61 61 GLN C C 61 175.950 175.950 175.661 0.289 18154 14171 1 19 . 1 1 61 61 GLN CA C 61 55.350 55.350 56.008 -0.659 18154 14172 1 19 . 1 1 61 61 GLN CB C 61 29.160 29.160 27.301 1.859 18154 14173 1 19 . 1 1 62 62 GLY N N 62 108.420 108.420 108.902 -0.482 18154 14174 1 19 . 1 1 62 62 GLY C C 62 173.134 173.134 173.714 -0.580 18154 14175 1 19 . 1 1 62 62 GLY CA C 62 45.784 45.784 45.040 0.744 18154 14176 1 19 . 1 1 62 62 GLY H H 62 8.073 8.073 8.381 -0.308 18154 14177 1 19 . 1 1 63 63 ASP N N 63 118.400 118.400 119.105 -0.705 18154 14178 1 19 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.611 0.170 18154 14179 1 19 . 1 1 63 63 ASP CA C 63 53.296 53.296 53.144 0.152 18154 14180 1 19 . 1 1 63 63 ASP CB C 63 42.740 42.740 42.019 0.721 18154 14181 1 19 . 1 1 63 63 ASP H H 63 7.248 7.248 7.861 -0.613 18154 14182 1 19 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.424 -0.024 18154 14183 1 19 . 1 1 64 64 LEU CA C 64 53.150 53.150 52.189 0.961 18154 14184 1 19 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.353 -0.666 18154 14185 1 19 . 1 1 64 64 LEU H H 64 8.445 8.445 8.006 0.439 18154 14186 1 19 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.446 -0.153 18154 14187 1 19 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.495 -0.150 18154 14188 1 19 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.817 -0.337 18154 14189 1 19 . 1 1 66 66 ASP N N 66 121.200 121.200 120.307 0.893 18154 14190 1 19 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.319 -0.059 18154 14191 1 19 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.477 1.153 18154 14192 1 19 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.523 0.277 18154 14193 1 19 . 1 1 66 66 ASP H H 66 8.605 8.605 8.784 -0.179 18154 14194 1 19 . 1 1 67 67 SER HA H 67 4.292 4.292 4.270 0.022 18154 14195 1 19 . 1 1 67 67 SER C C 67 175.650 175.650 175.280 0.370 18154 14196 1 19 . 1 1 67 67 SER CA C 67 60.500 60.500 60.700 -0.200 18154 14197 1 19 . 1 1 67 67 SER CB C 67 63.530 63.530 63.547 -0.017 18154 14198 1 19 . 1 1 68 68 ILE N N 68 120.550 120.550 120.747 -0.197 18154 14199 1 19 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.457 0.653 18154 14200 1 19 . 1 1 68 68 ILE C C 68 174.713 174.713 176.484 -1.771 18154 14201 1 19 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.757 -0.357 18154 14202 1 19 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.324 3.916 18154 14203 1 19 . 1 1 68 68 ILE H H 68 7.870 7.870 7.624 0.246 18154 14204 1 19 . 1 1 69 69 VAL N N 69 125.740 125.740 123.603 2.137 18154 14205 1 19 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.697 0.048 18154 14206 1 19 . 1 1 69 69 VAL C C 69 174.500 174.500 174.874 -0.374 18154 14207 1 19 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.457 -0.907 18154 14208 1 19 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.140 0.990 18154 14209 1 19 . 1 1 69 69 VAL H H 69 7.428 7.428 8.127 -0.699 18154 14210 1 19 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.304 -0.012 18154 14211 1 19 . 1 1 70 70 PRO C C 70 180.820 180.820 178.755 2.065 18154 14212 1 19 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.231 0.239 18154 14213 1 19 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.175 -0.518 18154 14214 1 19 . 1 1 71 71 LEU N N 71 119.467 119.467 119.896 -0.429 18154 14215 1 19 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.031 -0.186 18154 14216 1 19 . 1 1 71 71 LEU C C 71 176.489 176.489 178.408 -1.919 18154 14217 1 19 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.798 0.409 18154 14218 1 19 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.765 -0.279 18154 14219 1 19 . 1 1 71 71 LEU H H 71 7.918 7.918 7.586 0.332 18154 14220 1 19 . 1 1 72 72 PHE N N 72 119.361 119.361 119.634 -0.273 18154 14221 1 19 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.292 -0.147 18154 14222 1 19 . 1 1 72 72 PHE C C 72 175.968 175.968 177.077 -1.109 18154 14223 1 19 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.739 0.083 18154 14224 1 19 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.630 0.917 18154 14225 1 19 . 1 1 72 72 PHE H H 72 7.903 7.903 8.833 -0.930 18154 14226 1 19 . 1 1 73 73 GLN N N 73 116.100 116.100 116.892 -0.792 18154 14227 1 19 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.796 -0.269 18154 14228 1 19 . 1 1 73 73 GLN C C 73 177.871 177.871 178.653 -0.782 18154 14229 1 19 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.807 -0.667 18154 14230 1 19 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.094 0.053 18154 14231 1 19 . 1 1 73 73 GLN H H 73 9.042 9.042 8.583 0.459 18154 14232 1 19 . 1 1 74 74 GLY N N 74 107.110 107.110 108.285 -1.175 18154 14233 1 19 . 1 1 74 74 GLY C C 74 175.894 175.894 176.480 -0.586 18154 14234 1 19 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.951 0.329 18154 14235 1 19 . 1 1 74 74 GLY H H 74 8.045 8.045 8.196 -0.151 18154 14236 1 19 . 1 1 75 75 ILE N N 75 123.629 123.629 122.825 0.804 18154 14237 1 19 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.349 -0.299 18154 14238 1 19 . 1 1 75 75 ILE C C 75 178.622 178.622 177.115 1.507 18154 14239 1 19 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.910 0.347 18154 14240 1 19 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.393 0.575 18154 14241 1 19 . 1 1 75 75 ILE H H 75 8.174 8.174 8.130 0.044 18154 14242 1 19 . 1 1 76 76 LYS N N 76 119.363 119.363 118.746 0.617 18154 14243 1 19 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.748 -0.443 18154 14244 1 19 . 1 1 76 76 LYS C C 76 177.909 177.909 178.213 -0.304 18154 14245 1 19 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.327 0.378 18154 14246 1 19 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.887 0.463 18154 14247 1 19 . 1 1 76 76 LYS H H 76 7.600 7.600 7.485 0.115 18154 14248 1 19 . 1 1 77 77 ASP N N 77 115.190 115.190 118.053 -2.863 18154 14249 1 19 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.550 -0.068 18154 14250 1 19 . 1 1 77 77 ASP C C 77 178.825 178.825 178.129 0.696 18154 14251 1 19 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.106 0.174 18154 14252 1 19 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.714 -0.524 18154 14253 1 19 . 1 1 77 77 ASP H H 77 8.482 8.482 8.243 0.239 18154 14254 1 19 . 1 1 78 78 SER N N 78 112.576 112.576 115.969 -3.393 18154 14255 1 19 . 1 1 78 78 SER HA H 78 4.728 4.728 4.359 0.369 18154 14256 1 19 . 1 1 78 78 SER C C 78 174.556 174.556 175.092 -0.536 18154 14257 1 19 . 1 1 78 78 SER CA C 78 60.045 60.045 60.037 0.008 18154 14258 1 19 . 1 1 78 78 SER CB C 78 64.643 64.643 63.907 0.735 18154 14259 1 19 . 1 1 78 78 SER H H 78 8.273 8.273 7.950 0.323 18154 14260 1 19 . 1 1 79 79 LEU N N 79 120.833 120.833 121.056 -0.223 18154 14261 1 19 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.413 0.402 18154 14262 1 19 . 1 1 79 79 LEU C C 79 176.251 176.251 178.735 -2.484 18154 14263 1 19 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.220 -2.260 18154 14264 1 19 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.346 -3.150 18154 14265 1 19 . 1 1 79 79 LEU H H 79 7.025 7.025 7.498 -0.473 18154 14266 1 19 . 1 1 80 80 GLY N N 80 108.861 108.861 107.140 1.721 18154 14267 1 19 . 1 1 80 80 GLY C C 80 173.623 173.623 173.721 -0.098 18154 14268 1 19 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.398 -0.169 18154 14269 1 19 . 1 1 80 80 GLY H H 80 7.499 7.499 8.170 -0.671 18154 14270 1 19 . 1 1 81 81 PHE N N 81 121.441 121.441 119.340 2.101 18154 14271 1 19 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.655 0.405 18154 14272 1 19 . 1 1 81 81 PHE C C 81 174.411 174.411 172.412 1.999 18154 14273 1 19 . 1 1 81 81 PHE CA C 81 57.211 57.211 57.468 -0.257 18154 14274 1 19 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.790 -1.170 18154 14275 1 19 . 1 1 81 81 PHE H H 81 8.018 8.018 7.371 0.647 18154 14276 1 19 . 1 1 82 82 GLN N N 82 126.480 126.480 121.467 5.013 18154 14277 1 19 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.715 0.175 18154 14278 1 19 . 1 1 82 82 GLN C C 82 172.700 172.700 173.655 -0.955 18154 14279 1 19 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.585 1.592 18154 14280 1 19 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.606 1.994 18154 14281 1 19 . 1 1 82 82 GLN H H 82 9.588 9.588 7.678 1.910 18154 14282 1 19 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.344 0.029 18154 14283 1 19 . 1 1 83 83 PRO C C 83 178.163 178.163 176.697 1.466 18154 14284 1 19 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.429 -0.738 18154 14285 1 19 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.705 -0.840 18154 14286 1 19 . 1 1 84 84 ASN N N 84 116.900 116.900 115.156 1.744 18154 14287 1 19 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.858 -0.089 18154 14288 1 19 . 1 1 84 84 ASN C C 84 173.332 173.332 173.510 -0.178 18154 14289 1 19 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.639 -0.079 18154 14290 1 19 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.666 -1.406 18154 14291 1 19 . 1 1 84 84 ASN H H 84 8.578 8.578 7.706 0.872 18154 14292 1 19 . 1 1 85 85 LEU N N 85 124.380 124.380 121.615 2.765 18154 14293 1 19 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.454 -0.408 18154 14294 1 19 . 1 1 85 85 LEU C C 85 175.880 175.880 176.135 -0.255 18154 14295 1 19 . 1 1 85 85 LEU CA C 85 55.842 55.842 55.370 0.472 18154 14296 1 19 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.135 -0.835 18154 14297 1 19 . 1 1 85 85 LEU H H 85 7.240 7.240 7.788 -0.548 18154 14298 1 19 . 1 1 86 86 ARG N N 86 128.715 128.715 123.088 5.627 18154 14299 1 19 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.660 0.134 18154 14300 1 19 . 1 1 86 86 ARG C C 86 175.554 175.554 175.394 0.160 18154 14301 1 19 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.604 0.838 18154 14302 1 19 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.373 -0.500 18154 14303 1 19 . 1 1 86 86 ARG H H 86 7.732 7.732 8.191 -0.459 18154 14304 1 19 . 1 1 87 87 TYR N N 87 117.420 117.420 118.199 -0.779 18154 14305 1 19 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.863 0.902 18154 14306 1 19 . 1 1 87 87 TYR C C 87 172.931 172.931 173.588 -0.657 18154 14307 1 19 . 1 1 87 87 TYR CA C 87 55.261 55.261 55.892 -0.631 18154 14308 1 19 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.805 3.133 18154 14309 1 19 . 1 1 87 87 TYR H H 87 8.783 8.783 8.087 0.696 18154 14310 1 19 . 1 1 88 88 GLY N N 88 107.765 107.765 105.726 2.039 18154 14311 1 19 . 1 1 88 88 GLY C C 88 172.621 172.621 171.668 0.953 18154 14312 1 19 . 1 1 88 88 GLY CA C 88 43.861 43.861 43.313 0.548 18154 14313 1 19 . 1 1 88 88 GLY H H 88 8.905 8.905 8.580 0.325 18154 14314 1 19 . 1 1 89 89 VAL N N 89 118.180 118.180 118.873 -0.693 18154 14315 1 19 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.878 0.123 18154 14316 1 19 . 1 1 89 89 VAL C C 89 172.939 172.939 174.138 -1.199 18154 14317 1 19 . 1 1 89 89 VAL CA C 89 60.999 60.999 61.082 -0.083 18154 14318 1 19 . 1 1 89 89 VAL CB C 89 36.398 36.398 36.227 0.171 18154 14319 1 19 . 1 1 89 89 VAL H H 89 7.499 7.499 8.234 -0.735 18154 14320 1 19 . 1 1 90 90 ILE N N 90 125.000 125.000 125.661 -0.661 18154 14321 1 19 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.522 -0.395 18154 14322 1 19 . 1 1 90 90 ILE C C 90 173.099 173.099 173.862 -0.763 18154 14323 1 19 . 1 1 90 90 ILE CA C 90 60.488 60.488 60.064 0.424 18154 14324 1 19 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.569 -0.171 18154 14325 1 19 . 1 1 90 90 ILE H H 90 8.810 8.810 8.932 -0.122 18154 14326 1 19 . 1 1 91 91 ALA N N 91 129.036 129.036 129.912 -0.876 18154 14327 1 19 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.373 -0.047 18154 14328 1 19 . 1 1 91 91 ALA C C 91 174.000 174.000 175.826 -1.826 18154 14329 1 19 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.808 -0.808 18154 14330 1 19 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.125 0.975 18154 14331 1 19 . 1 1 91 91 ALA H H 91 9.253 9.253 8.978 0.275 18154 14332 1 19 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.050 -0.119 18154 14333 1 19 . 1 1 92 92 LEU C C 92 177.366 177.366 176.886 0.480 18154 14334 1 19 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.316 0.602 18154 14335 1 19 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.281 -2.881 18154 14336 1 19 . 1 1 93 93 GLY N N 93 110.663 110.663 108.591 2.072 18154 14337 1 19 . 1 1 93 93 GLY C C 93 172.029 172.029 171.843 0.186 18154 14338 1 19 . 1 1 93 93 GLY CA C 93 45.730 45.730 46.021 -0.291 18154 14339 1 19 . 1 1 93 93 GLY H H 93 8.687 8.687 8.941 -0.254 18154 14340 1 19 . 1 1 94 94 ASP N N 94 119.304 119.304 121.313 -2.009 18154 14341 1 19 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.527 -0.267 18154 14342 1 19 . 1 1 94 94 ASP C C 94 176.978 176.978 177.124 -0.146 18154 14343 1 19 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.736 0.871 18154 14344 1 19 . 1 1 94 94 ASP CB C 94 43.000 43.000 43.192 -0.192 18154 14345 1 19 . 1 1 94 94 ASP H H 94 8.129 8.129 8.433 -0.304 18154 14346 1 19 . 1 1 95 95 SER N N 95 123.897 123.897 121.705 2.192 18154 14347 1 19 . 1 1 95 95 SER HA H 95 3.895 3.895 4.343 -0.448 18154 14348 1 19 . 1 1 95 95 SER C C 95 175.243 175.243 175.385 -0.142 18154 14349 1 19 . 1 1 95 95 SER CA C 95 60.183 60.183 60.085 0.098 18154 14350 1 19 . 1 1 95 95 SER CB C 95 61.700 61.700 62.900 -1.200 18154 14351 1 19 . 1 1 95 95 SER H H 95 8.878 8.878 9.468 -0.590 18154 14352 1 19 . 1 1 96 96 SER N N 96 119.248 119.248 116.948 2.300 18154 14353 1 19 . 1 1 96 96 SER HA H 96 4.209 4.209 4.249 -0.040 18154 14354 1 19 . 1 1 96 96 SER C C 96 173.900 173.900 175.149 -1.249 18154 14355 1 19 . 1 1 96 96 SER CA C 96 60.197 60.197 60.006 0.191 18154 14356 1 19 . 1 1 96 96 SER CB C 96 63.000 63.000 63.491 -0.491 18154 14357 1 19 . 1 1 96 96 SER H H 96 9.124 9.124 8.468 0.656 18154 14358 1 19 . 1 1 97 97 TYR N N 97 120.889 120.889 122.630 -1.741 18154 14359 1 19 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.423 0.465 18154 14360 1 19 . 1 1 97 97 TYR C C 97 175.972 175.972 177.128 -1.156 18154 14361 1 19 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.790 -3.040 18154 14362 1 19 . 1 1 97 97 TYR CB C 97 39.820 39.820 38.876 0.944 18154 14363 1 19 . 1 1 97 97 TYR H H 97 7.664 7.664 7.952 -0.288 18154 14364 1 19 . 1 1 98 98 VAL N N 98 116.952 116.952 120.949 -3.997 18154 14365 1 19 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.832 0.228 18154 14366 1 19 . 1 1 98 98 VAL C C 98 175.969 175.969 177.075 -1.106 18154 14367 1 19 . 1 1 98 98 VAL CA C 98 62.840 62.840 65.060 -2.220 18154 14368 1 19 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.576 1.024 18154 14369 1 19 . 1 1 98 98 VAL H H 98 7.970 7.970 8.470 -0.500 18154 14370 1 19 . 1 1 99 99 ASN N N 99 118.156 118.156 118.685 -0.529 18154 14371 1 19 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.739 -0.228 18154 14372 1 19 . 1 1 99 99 ASN C C 99 174.329 174.329 174.036 0.293 18154 14373 1 19 . 1 1 99 99 ASN CA C 99 53.031 53.031 52.657 0.374 18154 14374 1 19 . 1 1 99 99 ASN CB C 99 37.238 37.238 36.733 0.505 18154 14375 1 19 . 1 1 99 99 ASN H H 99 8.296 8.296 8.434 -0.138 18154 14376 1 19 . 1 1 100 100 PHE N N 100 118.649 118.649 122.581 -3.932 18154 14377 1 19 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.301 0.114 18154 14378 1 19 . 1 1 100 100 PHE C C 100 174.400 174.400 175.861 -1.461 18154 14379 1 19 . 1 1 100 100 PHE CA C 100 58.190 58.190 60.157 -1.967 18154 14380 1 19 . 1 1 100 100 PHE CB C 100 39.679 39.679 39.451 0.228 18154 14381 1 19 . 1 1 100 100 PHE H H 100 7.855 7.855 7.755 0.100 18154 14382 1 19 . 1 1 101 101 CYS HA H 101 3.585 3.585 3.642 -0.057 18154 14383 1 19 . 1 1 101 101 CYS CA C 101 62.740 62.740 60.137 2.603 18154 14384 1 19 . 1 1 101 101 CYS CB C 101 26.000 26.000 25.735 0.265 18154 14385 1 19 . 1 1 101 101 CYS H H 101 9.240 9.240 8.546 0.694 18154 14386 1 19 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.419 -0.199 18154 14387 1 19 . 1 1 102 102 ASN CA C 102 57.200 57.200 55.931 1.269 18154 14388 1 19 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.613 -0.013 18154 14389 1 19 . 1 1 102 102 ASN H H 102 8.300 8.300 7.972 0.328 18154 14390 1 19 . 1 1 103 103 GLY C C 103 175.690 175.690 175.826 -0.136 18154 14391 1 19 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.081 0.269 18154 14392 1 19 . 1 1 104 104 GLY N N 104 106.150 106.150 110.036 -3.886 18154 14393 1 19 . 1 1 104 104 GLY C C 104 174.570 174.570 176.258 -1.688 18154 14394 1 19 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.466 0.884 18154 14395 1 19 . 1 1 104 104 GLY H H 104 7.108 7.108 7.661 -0.553 18154 14396 1 19 . 1 1 105 105 LYS N N 105 120.732 120.732 122.275 -1.543 18154 14397 1 19 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.952 -0.015 18154 14398 1 19 . 1 1 105 105 LYS C C 105 179.706 179.706 179.072 0.634 18154 14399 1 19 . 1 1 105 105 LYS CA C 105 60.308 60.308 60.028 0.280 18154 14400 1 19 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.223 -0.426 18154 14401 1 19 . 1 1 105 105 LYS H H 105 7.708 7.708 7.864 -0.156 18154 14402 1 19 . 1 1 106 106 GLN N N 106 119.087 119.087 118.576 0.511 18154 14403 1 19 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.136 0.006 18154 14404 1 19 . 1 1 106 106 GLN C C 106 179.418 179.418 178.690 0.728 18154 14405 1 19 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.479 0.396 18154 14406 1 19 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.227 0.533 18154 14407 1 19 . 1 1 106 106 GLN H H 106 8.738 8.738 8.311 0.427 18154 14408 1 19 . 1 1 107 107 PHE N N 107 123.088 123.088 120.822 2.266 18154 14409 1 19 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.394 -0.144 18154 14410 1 19 . 1 1 107 107 PHE C C 107 178.403 178.403 177.726 0.677 18154 14411 1 19 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.874 0.311 18154 14412 1 19 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.989 0.462 18154 14413 1 19 . 1 1 107 107 PHE H H 107 7.922 7.922 8.244 -0.322 18154 14414 1 19 . 1 1 108 108 ASP N N 108 117.118 117.118 120.514 -3.396 18154 14415 1 19 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.535 -0.161 18154 14416 1 19 . 1 1 108 108 ASP C C 108 176.973 176.973 178.333 -1.360 18154 14417 1 19 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.450 0.979 18154 14418 1 19 . 1 1 108 108 ASP CB C 108 44.123 44.123 40.856 3.267 18154 14419 1 19 . 1 1 108 108 ASP H H 108 8.305 8.305 8.394 -0.089 18154 14420 1 19 . 1 1 109 109 ALA N N 109 118.590 118.590 122.187 -3.597 18154 14421 1 19 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.053 -0.003 18154 14422 1 19 . 1 1 109 109 ALA C C 109 180.430 180.430 179.429 1.001 18154 14423 1 19 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.065 0.131 18154 14424 1 19 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.580 -0.473 18154 14425 1 19 . 1 1 109 109 ALA H H 109 8.332 8.332 8.044 0.288 18154 14426 1 19 . 1 1 110 110 LEU N N 110 120.402 120.402 119.574 0.828 18154 14427 1 19 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.849 0.236 18154 14428 1 19 . 1 1 110 110 LEU C C 110 177.801 177.801 178.707 -0.906 18154 14429 1 19 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.730 -0.090 18154 14430 1 19 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.742 1.014 18154 14431 1 19 . 1 1 110 110 LEU H H 110 7.868 7.868 8.062 -0.194 18154 14432 1 19 . 1 1 111 111 LEU N N 111 116.945 116.945 116.601 0.344 18154 14433 1 19 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.762 -0.044 18154 14434 1 19 . 1 1 111 111 LEU C C 111 179.838 179.838 179.190 0.648 18154 14435 1 19 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.204 0.761 18154 14436 1 19 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.045 -2.185 18154 14437 1 19 . 1 1 111 111 LEU H H 111 7.704 7.704 7.352 0.352 18154 14438 1 19 . 1 1 112 112 GLN N N 112 118.484 118.484 116.942 1.542 18154 14439 1 19 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.136 0.005 18154 14440 1 19 . 1 1 112 112 GLN C C 112 181.218 181.218 178.154 3.064 18154 14441 1 19 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.698 1.268 18154 14442 1 19 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.259 1.001 18154 14443 1 19 . 1 1 112 112 GLN H H 112 8.441 8.441 8.020 0.421 18154 14444 1 19 . 1 1 113 113 GLU N N 113 122.905 122.905 117.209 5.696 18154 14445 1 19 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.132 0.049 18154 14446 1 19 . 1 1 113 113 GLU C C 113 178.001 178.001 177.530 0.471 18154 14447 1 19 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.877 1.108 18154 14448 1 19 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.410 -0.140 18154 14449 1 19 . 1 1 113 113 GLU H H 113 8.305 8.305 7.838 0.467 18154 14450 1 19 . 1 1 114 114 GLN N N 114 117.332 117.332 118.952 -1.620 18154 14451 1 19 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.285 0.310 18154 14452 1 19 . 1 1 114 114 GLN C C 114 174.538 174.538 177.075 -2.537 18154 14453 1 19 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.777 -1.360 18154 14454 1 19 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.460 -4.630 18154 14455 1 19 . 1 1 114 114 GLN H H 114 7.520 7.520 7.604 -0.084 18154 14456 1 19 . 1 1 115 115 SER N N 115 109.100 109.100 109.369 -0.269 18154 14457 1 19 . 1 1 115 115 SER HA H 115 4.200 4.200 4.493 -0.293 18154 14458 1 19 . 1 1 115 115 SER C C 115 172.302 172.302 174.017 -1.715 18154 14459 1 19 . 1 1 115 115 SER CA C 115 60.400 60.400 58.421 1.979 18154 14460 1 19 . 1 1 115 115 SER CB C 115 61.325 61.325 64.507 -3.182 18154 14461 1 19 . 1 1 115 115 SER H H 115 7.950 7.950 7.819 0.131 18154 14462 1 19 . 1 1 116 116 ALA N N 116 121.059 121.059 125.933 -4.874 18154 14463 1 19 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.256 0.538 18154 14464 1 19 . 1 1 116 116 ALA C C 116 176.774 176.774 176.415 0.359 18154 14465 1 19 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.796 -1.106 18154 14466 1 19 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.213 1.152 18154 14467 1 19 . 1 1 116 116 ALA H H 116 7.813 7.813 7.533 0.280 18154 14468 1 19 . 1 1 117 117 GLN N N 117 118.000 118.000 119.278 -1.278 18154 14469 1 19 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.664 -0.046 18154 14470 1 19 . 1 1 117 117 GLN C C 117 173.769 173.769 175.060 -1.291 18154 14471 1 19 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.562 -0.006 18154 14472 1 19 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.370 -0.635 18154 14473 1 19 . 1 1 117 117 GLN H H 117 8.591 8.591 8.235 0.356 18154 14474 1 19 . 1 1 118 118 ARG N N 118 127.947 127.947 125.304 2.643 18154 14475 1 19 . 1 1 118 118 ARG HA H 118 3.308 3.308 3.103 0.205 18154 14476 1 19 . 1 1 118 118 ARG C C 118 176.758 176.758 176.045 0.713 18154 14477 1 19 . 1 1 118 118 ARG CA C 118 56.186 56.186 56.523 -0.337 18154 14478 1 19 . 1 1 118 118 ARG CB C 118 30.310 30.310 31.099 -0.789 18154 14479 1 19 . 1 1 118 118 ARG H H 118 8.659 8.659 8.805 -0.146 18154 14480 1 19 . 1 1 119 119 VAL N N 119 131.939 131.939 124.626 7.313 18154 14481 1 19 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.033 0.080 18154 14482 1 19 . 1 1 119 119 VAL C C 119 176.775 176.775 175.792 0.983 18154 14483 1 19 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.931 0.243 18154 14484 1 19 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.132 -0.738 18154 14485 1 19 . 1 1 119 119 VAL H H 119 9.520 9.520 8.316 1.204 18154 14486 1 19 . 1 1 120 120 GLY N N 120 116.074 116.074 106.948 9.126 18154 14487 1 19 . 1 1 120 120 GLY C C 120 172.757 172.757 174.342 -1.585 18154 14488 1 19 . 1 1 120 120 GLY CA C 120 43.898 43.898 44.589 -0.691 18154 14489 1 19 . 1 1 120 120 GLY H H 120 8.755 8.755 8.114 0.641 18154 14490 1 19 . 1 1 121 121 GLU N N 121 118.754 118.754 119.642 -0.888 18154 14491 1 19 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.290 0.376 18154 14492 1 19 . 1 1 121 121 GLU C C 121 177.419 177.419 177.275 0.144 18154 14493 1 19 . 1 1 121 121 GLU CA C 121 54.491 54.491 57.106 -2.615 18154 14494 1 19 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.021 1.477 18154 14495 1 19 . 1 1 121 121 GLU H H 121 8.594 8.594 8.503 0.091 18154 14496 1 19 . 1 1 122 122 MET N N 122 122.642 122.642 119.896 2.746 18154 14497 1 19 . 1 1 122 122 MET HA H 122 4.415 4.415 4.945 -0.530 18154 14498 1 19 . 1 1 122 122 MET C C 122 175.351 175.351 175.016 0.335 18154 14499 1 19 . 1 1 122 122 MET CA C 122 57.024 57.024 54.044 2.980 18154 14500 1 19 . 1 1 122 122 MET CB C 122 34.210 34.210 34.220 -0.010 18154 14501 1 19 . 1 1 122 122 MET H H 122 8.892 8.892 8.406 0.486 18154 14502 1 19 . 1 1 123 123 LEU N N 123 129.535 129.535 122.260 7.275 18154 14503 1 19 . 1 1 123 123 LEU HA H 123 4.350 4.350 3.787 0.563 18154 14504 1 19 . 1 1 123 123 LEU C C 123 173.124 173.124 174.290 -1.166 18154 14505 1 19 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.064 0.675 18154 14506 1 19 . 1 1 123 123 LEU CB C 123 41.078 41.078 43.027 -1.949 18154 14507 1 19 . 1 1 123 123 LEU H H 123 7.868 7.868 8.039 -0.171 18154 14508 1 19 . 1 1 124 124 LEU N N 124 127.120 127.120 125.541 1.579 18154 14509 1 19 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.729 0.326 18154 14510 1 19 . 1 1 124 124 LEU C C 124 176.379 176.379 175.982 0.397 18154 14511 1 19 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.070 0.480 18154 14512 1 19 . 1 1 124 124 LEU CB C 124 41.378 41.378 43.054 -1.676 18154 14513 1 19 . 1 1 124 124 LEU H H 124 8.346 8.346 7.889 0.457 18154 14514 1 19 . 1 1 125 125 ILE N N 125 124.337 124.337 124.649 -0.312 18154 14515 1 19 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.205 -0.025 18154 14516 1 19 . 1 1 125 125 ILE C C 125 174.303 174.303 174.773 -0.470 18154 14517 1 19 . 1 1 125 125 ILE CA C 125 61.100 61.100 60.743 0.357 18154 14518 1 19 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.990 -1.047 18154 14519 1 19 . 1 1 125 125 ILE H H 125 8.974 8.974 8.297 0.677 18154 14520 1 19 . 1 1 126 126 ASP N N 126 127.113 127.113 128.149 -1.036 18154 14521 1 19 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.314 -0.199 18154 14522 1 19 . 1 1 126 126 ASP C C 126 176.766 176.766 176.378 0.388 18154 14523 1 19 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.322 -0.475 18154 14524 1 19 . 1 1 126 126 ASP CB C 126 41.100 41.100 41.701 -0.601 18154 14525 1 19 . 1 1 126 126 ASP H H 126 9.397 9.397 8.808 0.589 18154 14526 1 19 . 1 1 127 127 ALA N N 127 131.178 131.178 131.402 -0.224 18154 14527 1 19 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.528 -0.212 18154 14528 1 19 . 1 1 127 127 ALA C C 127 178.530 178.530 178.854 -0.324 18154 14529 1 19 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.136 -0.289 18154 14530 1 19 . 1 1 127 127 ALA CB C 127 18.792 18.792 18.952 -0.160 18154 14531 1 19 . 1 1 127 127 ALA H H 127 9.696 9.696 9.145 0.551 18154 14532 1 19 . 1 1 128 128 SER N N 128 112.064 112.064 113.362 -1.298 18154 14533 1 19 . 1 1 128 128 SER HA H 128 4.224 4.224 4.227 -0.003 18154 14534 1 19 . 1 1 128 128 SER C C 128 175.000 175.000 175.554 -0.554 18154 14535 1 19 . 1 1 128 128 SER CA C 128 61.246 61.246 60.758 0.488 18154 14536 1 19 . 1 1 128 128 SER CB C 128 63.310 63.310 63.529 -0.219 18154 14537 1 19 . 1 1 128 128 SER H H 128 8.373 8.373 8.317 0.056 18154 14538 1 19 . 1 1 129 129 GLU N N 129 119.468 119.468 118.639 0.829 18154 14539 1 19 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.423 -0.023 18154 14540 1 19 . 1 1 129 129 GLU C C 129 175.947 175.947 176.032 -0.085 18154 14541 1 19 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.910 -0.495 18154 14542 1 19 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.615 0.115 18154 14543 1 19 . 1 1 129 129 GLU H H 129 7.267 7.267 7.581 -0.314 18154 14544 1 19 . 1 1 130 130 ASN N N 130 115.968 115.968 118.077 -2.109 18154 14545 1 19 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.113 0.053 18154 14546 1 19 . 1 1 130 130 ASN C C 130 172.000 172.000 174.126 -2.126 18154 14547 1 19 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.963 -0.740 18154 14548 1 19 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.808 -0.142 18154 14549 1 19 . 1 1 130 130 ASN H H 130 8.072 8.072 8.145 -0.073 18154 14550 1 19 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.558 -0.008 18154 14551 1 19 . 1 1 131 131 PRO C C 131 176.400 176.400 176.681 -0.281 18154 14552 1 19 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.949 -0.449 18154 14553 1 19 . 1 1 131 131 PRO CB C 131 32.300 32.300 32.063 0.237 18154 14554 1 19 . 1 1 132 132 GLU N N 132 119.000 119.000 119.683 -0.683 18154 14555 1 19 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.761 0.259 18154 14556 1 19 . 1 1 132 132 GLU C C 132 174.200 174.200 175.256 -1.056 18154 14557 1 19 . 1 1 132 132 GLU CA C 132 53.000 53.000 52.459 0.541 18154 14558 1 19 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.500 0.200 18154 14559 1 19 . 1 1 132 132 GLU H H 132 7.690 7.690 7.961 -0.271 18154 14560 1 19 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.267 -0.267 18154 14561 1 19 . 1 1 133 133 PRO C C 133 177.391 177.391 177.884 -0.493 18154 14562 1 19 . 1 1 133 133 PRO CA C 133 65.469 65.469 64.711 0.758 18154 14563 1 19 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.926 0.219 18154 14564 1 19 . 1 1 134 134 GLU N N 134 122.846 122.846 116.636 6.210 18154 14565 1 19 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.170 1.050 18154 14566 1 19 . 1 1 134 134 GLU C C 134 178.385 178.385 178.686 -0.301 18154 14567 1 19 . 1 1 134 134 GLU CA C 134 57.592 57.592 58.743 -1.151 18154 14568 1 19 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.496 -1.906 18154 14569 1 19 . 1 1 134 134 GLU H H 134 10.707 10.707 8.708 1.999 18154 14570 1 19 . 1 1 135 135 THR N N 135 113.016 113.016 111.703 1.313 18154 14571 1 19 . 1 1 135 135 THR HA H 135 4.182 4.182 4.204 -0.022 18154 14572 1 19 . 1 1 135 135 THR C C 135 176.460 176.460 175.401 1.059 18154 14573 1 19 . 1 1 135 135 THR CA C 135 64.752 64.752 65.097 -0.345 18154 14574 1 19 . 1 1 135 135 THR CB C 135 69.248 69.248 68.834 0.414 18154 14575 1 19 . 1 1 135 135 THR H H 135 8.168 8.168 8.174 -0.006 18154 14576 1 19 . 1 1 136 136 GLU N N 136 118.978 118.978 121.426 -2.448 18154 14577 1 19 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.551 0.013 18154 14578 1 19 . 1 1 136 136 GLU C C 136 178.370 178.370 178.610 -0.240 18154 14579 1 19 . 1 1 136 136 GLU CA C 136 56.913 56.913 57.961 -1.048 18154 14580 1 19 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.801 1.299 18154 14581 1 19 . 1 1 136 136 GLU H H 136 7.680 7.680 7.601 0.079 18154 14582 1 19 . 1 1 137 137 SER N N 137 116.501 116.501 115.980 0.521 18154 14583 1 19 . 1 1 137 137 SER HA H 137 4.033 4.033 4.164 -0.131 18154 14584 1 19 . 1 1 137 137 SER C C 137 175.670 175.670 176.592 -0.922 18154 14585 1 19 . 1 1 137 137 SER CA C 137 62.330 62.330 62.133 0.197 18154 14586 1 19 . 1 1 137 137 SER CB C 137 61.380 61.380 62.954 -1.574 18154 14587 1 19 . 1 1 137 137 SER H H 137 8.824 8.824 8.394 0.430 18154 14588 1 19 . 1 1 138 138 ASN N N 138 123.517 123.517 121.176 2.341 18154 14589 1 19 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.727 -0.136 18154 14590 1 19 . 1 1 138 138 ASN C C 138 175.700 175.700 175.400 0.300 18154 14591 1 19 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.562 -0.076 18154 14592 1 19 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.017 -2.764 18154 14593 1 19 . 1 1 138 138 ASN H H 138 8.564 8.564 8.031 0.533 18154 14594 1 19 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.297 0.158 18154 14595 1 19 . 1 1 139 139 PRO C C 139 180.033 180.033 178.205 1.828 18154 14596 1 19 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.459 0.151 18154 14597 1 19 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.303 -0.767 18154 14598 1 19 . 1 1 140 140 TRP N N 140 119.700 119.700 120.073 -0.373 18154 14599 1 19 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.526 -0.193 18154 14600 1 19 . 1 1 140 140 TRP C C 140 179.195 179.195 177.979 1.216 18154 14601 1 19 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.097 1.083 18154 14602 1 19 . 1 1 140 140 TRP CB C 140 30.751 30.751 30.195 0.556 18154 14603 1 19 . 1 1 140 140 TRP H H 140 7.057 7.057 7.746 -0.689 18154 14604 1 19 . 1 1 141 141 VAL N N 141 122.879 122.879 120.906 1.973 18154 14605 1 19 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.815 -0.079 18154 14606 1 19 . 1 1 141 141 VAL C C 141 177.416 177.416 178.272 -0.856 18154 14607 1 19 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.700 -0.983 18154 14608 1 19 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.636 -0.204 18154 14609 1 19 . 1 1 141 141 VAL H H 141 9.629 9.629 8.551 1.078 18154 14610 1 19 . 1 1 142 142 GLU N N 142 119.965 119.965 119.524 0.441 18154 14611 1 19 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.991 -0.259 18154 14612 1 19 . 1 1 142 142 GLU C C 142 178.800 178.800 178.763 0.037 18154 14613 1 19 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.333 -0.001 18154 14614 1 19 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.383 0.177 18154 14615 1 19 . 1 1 142 142 GLU H H 142 8.551 8.551 8.242 0.309 18154 14616 1 19 . 1 1 143 143 GLN N N 143 115.364 115.364 120.058 -4.694 18154 14617 1 19 . 1 1 143 143 GLN HA H 143 4.290 4.290 4.030 0.260 18154 14618 1 19 . 1 1 143 143 GLN C C 143 177.840 177.840 178.478 -0.638 18154 14619 1 19 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.750 0.613 18154 14620 1 19 . 1 1 143 143 GLN CB C 143 29.362 29.362 28.561 0.800 18154 14621 1 19 . 1 1 143 143 GLN H H 143 7.380 7.380 7.985 -0.605 18154 14622 1 19 . 1 1 144 144 TRP N N 144 126.680 126.680 122.530 4.150 18154 14623 1 19 . 1 1 144 144 TRP HA H 144 3.334 3.334 4.322 -0.988 18154 14624 1 19 . 1 1 144 144 TRP C C 144 178.200 178.200 178.716 -0.516 18154 14625 1 19 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.693 2.267 18154 14626 1 19 . 1 1 144 144 TRP CB C 144 28.525 28.525 29.361 -0.836 18154 14627 1 19 . 1 1 144 144 TRP H H 144 9.215 9.215 8.711 0.504 18154 14628 1 19 . 1 1 145 145 GLY N N 145 100.130 100.130 105.866 -5.736 18154 14629 1 19 . 1 1 145 145 GLY C C 145 177.391 177.391 175.823 1.568 18154 14630 1 19 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.337 -0.577 18154 14631 1 19 . 1 1 145 145 GLY H H 145 8.834 8.834 8.979 -0.145 18154 14632 1 19 . 1 1 146 146 THR N N 146 110.831 110.831 114.441 -3.610 18154 14633 1 19 . 1 1 146 146 THR HA H 146 4.319 4.319 4.084 0.235 18154 14634 1 19 . 1 1 146 146 THR C C 146 175.574 175.574 175.547 0.027 18154 14635 1 19 . 1 1 146 146 THR CA C 146 63.260 63.260 64.329 -1.069 18154 14636 1 19 . 1 1 146 146 THR CB C 146 69.660 69.660 68.296 1.365 18154 14637 1 19 . 1 1 146 146 THR H H 146 7.594 7.594 7.722 -0.128 18154 14638 1 19 . 1 1 147 147 LEU N N 147 120.678 120.678 120.245 0.433 18154 14639 1 19 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.117 -0.059 18154 14640 1 19 . 1 1 147 147 LEU C C 147 177.176 177.176 177.191 -0.015 18154 14641 1 19 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.464 -1.149 18154 14642 1 19 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.529 -0.301 18154 14643 1 19 . 1 1 147 147 LEU H H 147 7.458 7.458 7.426 0.032 18154 14644 1 19 . 1 1 148 148 LEU N N 148 117.062 117.062 119.056 -1.994 18154 14645 1 19 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.820 -0.102 18154 14646 1 19 . 1 1 148 148 LEU C C 148 175.570 175.570 176.755 -1.185 18154 14647 1 19 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.476 -0.525 18154 14648 1 19 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.111 -1.510 18154 14649 1 19 . 1 1 148 148 LEU H H 148 6.482 6.482 7.043 -0.561 18154 14650 1 20 . 1 1 2 2 ALA HA H 2 4.229 4.229 4.681 -0.452 18154 14651 1 20 . 1 1 2 2 ALA C C 2 173.315 173.315 175.519 -2.204 18154 14652 1 20 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.633 -0.053 18154 14653 1 20 . 1 1 2 2 ALA CB C 2 20.223 20.223 20.728 -0.505 18154 14654 1 20 . 1 1 3 3 GLU N N 3 121.874 121.874 120.541 1.333 18154 14655 1 20 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.482 -0.208 18154 14656 1 20 . 1 1 3 3 GLU C C 3 174.545 174.545 175.121 -0.576 18154 14657 1 20 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.030 0.820 18154 14658 1 20 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.465 -0.746 18154 14659 1 20 . 1 1 3 3 GLU H H 3 8.696 8.696 8.587 0.109 18154 14660 1 20 . 1 1 4 4 ILE N N 4 120.672 120.672 125.092 -4.420 18154 14661 1 20 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.836 0.273 18154 14662 1 20 . 1 1 4 4 ILE C C 4 175.463 175.463 175.150 0.313 18154 14663 1 20 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.090 -0.257 18154 14664 1 20 . 1 1 4 4 ILE CB C 4 43.670 43.670 41.084 2.586 18154 14665 1 20 . 1 1 4 4 ILE H H 4 8.860 8.860 9.273 -0.413 18154 14666 1 20 . 1 1 5 5 GLY N N 5 119.310 119.310 114.364 4.946 18154 14667 1 20 . 1 1 5 5 GLY C C 5 171.260 171.260 172.619 -1.359 18154 14668 1 20 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.192 0.628 18154 14669 1 20 . 1 1 5 5 GLY H H 5 8.469 8.469 8.382 0.087 18154 14670 1 20 . 1 1 6 6 ILE N N 6 126.915 126.915 125.798 1.117 18154 14671 1 20 . 1 1 6 6 ILE HA H 6 5.190 5.190 4.989 0.201 18154 14672 1 20 . 1 1 6 6 ILE C C 6 173.901 173.901 174.352 -0.451 18154 14673 1 20 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.489 -0.489 18154 14674 1 20 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.759 -1.759 18154 14675 1 20 . 1 1 6 6 ILE H H 6 9.056 9.056 9.059 -0.003 18154 14676 1 20 . 1 1 7 7 PHE N N 7 127.354 127.354 127.452 -0.098 18154 14677 1 20 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.221 -0.709 18154 14678 1 20 . 1 1 7 7 PHE C C 7 174.230 174.230 174.643 -0.413 18154 14679 1 20 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.438 1.972 18154 14680 1 20 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.634 1.094 18154 14681 1 20 . 1 1 7 7 PHE H H 7 8.960 8.960 9.376 -0.416 18154 14682 1 20 . 1 1 8 8 VAL HA H 8 5.060 5.060 4.950 0.110 18154 14683 1 20 . 1 1 8 8 VAL C C 8 175.450 175.450 175.486 -0.036 18154 14684 1 20 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.383 0.817 18154 14685 1 20 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.096 0.341 18154 14686 1 20 . 1 1 9 9 GLY N N 9 115.000 115.000 115.427 -0.427 18154 14687 1 20 . 1 1 9 9 GLY C C 9 173.150 173.150 174.318 -1.168 18154 14688 1 20 . 1 1 9 9 GLY CA C 9 45.000 45.000 46.362 -1.363 18154 14689 1 20 . 1 1 9 9 GLY H H 9 9.393 9.393 9.025 0.368 18154 14690 1 20 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.495 0.200 18154 14691 1 20 . 1 1 12 12 TYR C C 12 176.560 176.560 174.688 1.872 18154 14692 1 20 . 1 1 12 12 TYR CA C 12 57.750 57.750 57.863 -0.113 18154 14693 1 20 . 1 1 12 12 TYR CB C 12 38.000 38.000 40.845 -2.845 18154 14694 1 20 . 1 1 13 13 GLY N N 13 109.870 109.870 112.153 -2.283 18154 14695 1 20 . 1 1 13 13 GLY C C 13 175.930 175.930 174.336 1.594 18154 14696 1 20 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.190 1.810 18154 14697 1 20 . 1 1 13 13 GLY H H 13 8.500 8.500 7.405 1.095 18154 14698 1 20 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.147 0.083 18154 14699 1 20 . 1 1 17 17 LEU C C 17 179.210 179.210 178.417 0.793 18154 14700 1 20 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.891 0.509 18154 14701 1 20 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.303 -0.003 18154 14702 1 20 . 1 1 18 18 VAL N N 18 117.231 117.231 118.206 -0.975 18154 14703 1 20 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.585 -0.262 18154 14704 1 20 . 1 1 18 18 VAL C C 18 178.460 178.460 177.776 0.684 18154 14705 1 20 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.485 0.381 18154 14706 1 20 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.965 0.495 18154 14707 1 20 . 1 1 18 18 VAL H H 18 7.645 7.645 7.461 0.184 18154 14708 1 20 . 1 1 19 19 ALA N N 19 121.820 121.820 121.323 0.497 18154 14709 1 20 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.987 -0.171 18154 14710 1 20 . 1 1 19 19 ALA C C 19 178.180 178.180 179.477 -1.297 18154 14711 1 20 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.575 0.001 18154 14712 1 20 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.036 1.964 18154 14713 1 20 . 1 1 19 19 ALA H H 19 8.010 8.010 8.214 -0.204 18154 14714 1 20 . 1 1 20 20 GLU N N 20 118.960 118.960 118.658 0.302 18154 14715 1 20 . 1 1 20 20 GLU HA H 20 4.016 4.016 3.997 0.019 18154 14716 1 20 . 1 1 20 20 GLU C C 20 180.950 180.950 179.365 1.585 18154 14717 1 20 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.110 0.556 18154 14718 1 20 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.304 -0.004 18154 14719 1 20 . 1 1 20 20 GLU H H 20 8.700 8.700 7.902 0.798 18154 14720 1 20 . 1 1 21 21 GLU N N 21 121.371 121.371 119.357 2.014 18154 14721 1 20 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.092 -0.048 18154 14722 1 20 . 1 1 21 21 GLU C C 21 179.419 179.419 178.785 0.634 18154 14723 1 20 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.113 0.197 18154 14724 1 20 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.279 0.282 18154 14725 1 20 . 1 1 21 21 GLU H H 21 8.632 8.632 8.196 0.436 18154 14726 1 20 . 1 1 22 22 ALA N N 22 121.329 121.329 123.077 -1.748 18154 14727 1 20 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.084 -0.026 18154 14728 1 20 . 1 1 22 22 ALA C C 22 178.823 178.823 179.421 -0.598 18154 14729 1 20 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.705 -1.028 18154 14730 1 20 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.095 -0.452 18154 14731 1 20 . 1 1 22 22 ALA H H 22 8.182 8.182 8.594 -0.412 18154 14732 1 20 . 1 1 23 23 GLU N N 23 119.035 119.035 119.585 -0.550 18154 14733 1 20 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.060 -0.656 18154 14734 1 20 . 1 1 23 23 GLU C C 23 178.375 178.375 178.498 -0.123 18154 14735 1 20 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.605 0.703 18154 14736 1 20 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.562 -0.632 18154 14737 1 20 . 1 1 23 23 GLU H H 23 8.387 8.387 8.370 0.017 18154 14738 1 20 . 1 1 24 24 ALA N N 24 122.207 122.207 122.623 -0.416 18154 14739 1 20 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.101 -0.071 18154 14740 1 20 . 1 1 24 24 ALA C C 24 181.132 181.132 179.920 1.212 18154 14741 1 20 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.109 0.378 18154 14742 1 20 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.607 -0.607 18154 14743 1 20 . 1 1 24 24 ALA H H 24 7.535 7.535 8.015 -0.480 18154 14744 1 20 . 1 1 25 25 ILE N N 25 121.059 121.059 119.884 1.175 18154 14745 1 20 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.706 -0.042 18154 14746 1 20 . 1 1 25 25 ILE C C 25 178.419 178.419 177.922 0.497 18154 14747 1 20 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.041 -0.933 18154 14748 1 20 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.114 0.849 18154 14749 1 20 . 1 1 25 25 ILE H H 25 7.800 7.800 8.626 -0.826 18154 14750 1 20 . 1 1 26 26 LEU N N 26 119.307 119.307 120.366 -1.059 18154 14751 1 20 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.174 0.002 18154 14752 1 20 . 1 1 26 26 LEU C C 26 179.863 179.863 179.708 0.155 18154 14753 1 20 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.268 -0.322 18154 14754 1 20 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.373 -0.233 18154 14755 1 20 . 1 1 26 26 LEU H H 26 8.509 8.509 8.485 0.024 18154 14756 1 20 . 1 1 27 27 THR N N 27 117.830 117.830 116.270 1.560 18154 14757 1 20 . 1 1 27 27 THR HA H 27 4.524 4.524 4.349 0.175 18154 14758 1 20 . 1 1 27 27 THR C C 27 179.027 179.027 176.257 2.770 18154 14759 1 20 . 1 1 27 27 THR CA C 27 66.000 66.000 66.609 -0.609 18154 14760 1 20 . 1 1 27 27 THR CB C 27 68.600 68.600 68.493 0.107 18154 14761 1 20 . 1 1 27 27 THR H H 27 8.796 8.796 8.520 0.276 18154 14762 1 20 . 1 1 28 28 ALA N N 28 126.313 126.313 122.683 3.630 18154 14763 1 20 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.152 0.053 18154 14764 1 20 . 1 1 28 28 ALA C C 28 179.360 179.360 179.199 0.161 18154 14765 1 20 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.282 0.718 18154 14766 1 20 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.241 -0.591 18154 14767 1 20 . 1 1 28 28 ALA H H 28 7.832 7.832 7.804 0.028 18154 14768 1 20 . 1 1 29 29 GLN N N 29 115.527 115.527 116.621 -1.094 18154 14769 1 20 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.114 0.013 18154 14770 1 20 . 1 1 29 29 GLN C C 29 176.547 176.547 176.930 -0.383 18154 14771 1 20 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.209 -0.646 18154 14772 1 20 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.725 -0.315 18154 14773 1 20 . 1 1 29 29 GLN H H 29 7.353 7.353 8.076 -0.723 18154 14774 1 20 . 1 1 30 30 GLY N N 30 105.961 105.961 105.189 0.772 18154 14775 1 20 . 1 1 30 30 GLY C C 30 174.785 174.785 173.502 1.283 18154 14776 1 20 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.509 -0.009 18154 14777 1 20 . 1 1 30 30 GLY H H 30 7.923 7.923 7.662 0.261 18154 14778 1 20 . 1 1 31 31 HIS N N 31 119.471 119.471 117.542 1.929 18154 14779 1 20 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.883 -0.048 18154 14780 1 20 . 1 1 31 31 HIS C C 31 174.665 174.665 173.945 0.720 18154 14781 1 20 . 1 1 31 31 HIS CA C 31 55.842 55.842 54.751 1.091 18154 14782 1 20 . 1 1 31 31 HIS CB C 31 32.000 32.000 32.034 -0.034 18154 14783 1 20 . 1 1 31 31 HIS H H 31 7.558 7.558 8.048 -0.490 18154 14784 1 20 . 1 1 32 32 LYS N N 32 121.854 121.854 121.993 -0.139 18154 14785 1 20 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.496 0.227 18154 14786 1 20 . 1 1 32 32 LYS C C 32 174.466 174.466 174.592 -0.126 18154 14787 1 20 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.815 0.050 18154 14788 1 20 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.069 0.891 18154 14789 1 20 . 1 1 32 32 LYS H H 32 8.665 8.665 8.848 -0.183 18154 14790 1 20 . 1 1 33 33 ALA N N 33 130.188 130.188 128.825 1.363 18154 14791 1 20 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.730 0.088 18154 14792 1 20 . 1 1 33 33 ALA C C 33 175.567 175.567 176.490 -0.923 18154 14793 1 20 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.712 -0.736 18154 14794 1 20 . 1 1 33 33 ALA CB C 33 22.297 22.297 22.091 0.206 18154 14795 1 20 . 1 1 33 33 ALA H H 33 8.837 8.837 8.035 0.802 18154 14796 1 20 . 1 1 34 34 THR N N 34 117.164 117.164 116.660 0.504 18154 14797 1 20 . 1 1 34 34 THR HA H 34 4.359 4.359 4.571 -0.212 18154 14798 1 20 . 1 1 34 34 THR C C 34 171.315 171.315 172.976 -1.661 18154 14799 1 20 . 1 1 34 34 THR CA C 34 61.840 61.840 60.780 1.060 18154 14800 1 20 . 1 1 34 34 THR CB C 34 71.800 71.800 72.572 -0.772 18154 14801 1 20 . 1 1 34 34 THR H H 34 7.826 7.826 8.327 -0.501 18154 14802 1 20 . 1 1 35 35 VAL N N 35 126.650 126.650 122.695 3.955 18154 14803 1 20 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.496 -0.313 18154 14804 1 20 . 1 1 35 35 VAL C C 35 174.675 174.675 175.076 -0.401 18154 14805 1 20 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.497 0.431 18154 14806 1 20 . 1 1 35 35 VAL CB C 35 32.650 32.650 33.040 -0.390 18154 14807 1 20 . 1 1 35 35 VAL H H 35 8.496 8.496 8.326 0.170 18154 14808 1 20 . 1 1 36 36 PHE N N 36 127.630 127.630 126.562 1.068 18154 14809 1 20 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.722 -0.171 18154 14810 1 20 . 1 1 36 36 PHE C C 36 174.347 174.347 174.445 -0.098 18154 14811 1 20 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.549 0.933 18154 14812 1 20 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.502 -0.337 18154 14813 1 20 . 1 1 36 36 PHE H H 36 9.164 9.164 9.108 0.056 18154 14814 1 20 . 1 1 37 37 GLU N N 37 123.516 123.516 124.128 -0.612 18154 14815 1 20 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.425 0.045 18154 14816 1 20 . 1 1 37 37 GLU C C 37 175.954 175.954 176.263 -0.309 18154 14817 1 20 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.125 -0.406 18154 14818 1 20 . 1 1 37 37 GLU CB C 37 31.460 31.460 30.884 0.576 18154 14819 1 20 . 1 1 37 37 GLU H H 37 8.455 8.455 8.702 -0.247 18154 14820 1 20 . 1 1 38 38 ASP N N 38 120.395 120.395 121.857 -1.462 18154 14821 1 20 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.433 0.400 18154 14822 1 20 . 1 1 38 38 ASP C C 38 173.920 173.920 174.429 -0.509 18154 14823 1 20 . 1 1 38 38 ASP CA C 38 54.477 54.477 54.040 0.437 18154 14824 1 20 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.395 0.209 18154 14825 1 20 . 1 1 38 38 ASP H H 38 9.602 9.602 8.762 0.840 18154 14826 1 20 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.529 0.151 18154 14827 1 20 . 1 1 39 39 PRO C C 39 176.274 176.274 176.349 -0.075 18154 14828 1 20 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.659 -0.675 18154 14829 1 20 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.785 1.615 18154 14830 1 20 . 1 1 40 40 GLU N N 40 119.026 119.026 122.737 -3.711 18154 14831 1 20 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.525 0.203 18154 14832 1 20 . 1 1 40 40 GLU C C 40 177.827 177.827 178.055 -0.228 18154 14833 1 20 . 1 1 40 40 GLU CA C 40 53.970 53.970 54.770 -0.800 18154 14834 1 20 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.123 2.277 18154 14835 1 20 . 1 1 40 40 GLU H H 40 9.178 9.178 8.674 0.504 18154 14836 1 20 . 1 1 41 41 LEU N N 41 123.708 123.708 125.630 -1.922 18154 14837 1 20 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.161 -0.267 18154 14838 1 20 . 1 1 41 41 LEU C C 41 178.730 178.730 177.966 0.764 18154 14839 1 20 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.703 0.704 18154 14840 1 20 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.753 -0.100 18154 14841 1 20 . 1 1 41 41 LEU H H 41 9.160 9.160 8.835 0.325 18154 14842 1 20 . 1 1 42 42 SER N N 42 110.500 110.500 114.315 -3.815 18154 14843 1 20 . 1 1 42 42 SER HA H 42 4.010 4.010 4.293 -0.283 18154 14844 1 20 . 1 1 42 42 SER C C 42 176.300 176.300 175.071 1.229 18154 14845 1 20 . 1 1 42 42 SER CA C 42 61.600 61.600 60.756 0.844 18154 14846 1 20 . 1 1 42 42 SER CB C 42 62.140 62.140 62.805 -0.665 18154 14847 1 20 . 1 1 42 42 SER H H 42 8.415 8.415 8.565 -0.150 18154 14848 1 20 . 1 1 43 43 ASP N N 43 119.770 119.770 120.383 -0.613 18154 14849 1 20 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.779 -0.322 18154 14850 1 20 . 1 1 43 43 ASP C C 43 176.150 176.150 176.060 0.090 18154 14851 1 20 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.234 1.516 18154 14852 1 20 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.329 1.371 18154 14853 1 20 . 1 1 43 43 ASP H H 43 7.690 7.690 7.931 -0.241 18154 14854 1 20 . 1 1 44 44 TRP N N 44 118.500 118.500 121.071 -2.571 18154 14855 1 20 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.331 -0.121 18154 14856 1 20 . 1 1 44 44 TRP C C 44 177.150 177.150 177.575 -0.425 18154 14857 1 20 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.509 0.878 18154 14858 1 20 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.336 -0.026 18154 14859 1 20 . 1 1 44 44 TRP H H 44 7.464 7.464 7.347 0.117 18154 14860 1 20 . 1 1 45 45 LEU N N 45 114.100 114.100 121.064 -6.964 18154 14861 1 20 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.067 0.108 18154 14862 1 20 . 1 1 45 45 LEU C C 45 176.300 176.300 175.558 0.742 18154 14863 1 20 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.200 -0.640 18154 14864 1 20 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.468 -0.248 18154 14865 1 20 . 1 1 45 45 LEU H H 45 7.550 7.550 8.376 -0.826 18154 14866 1 20 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.225 0.155 18154 14867 1 20 . 1 1 46 46 PRO C C 46 176.799 176.799 177.139 -0.340 18154 14868 1 20 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.699 0.588 18154 14869 1 20 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.055 0.545 18154 14870 1 20 . 1 1 47 47 TYR N N 47 113.790 113.790 116.736 -2.946 18154 14871 1 20 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.688 -0.568 18154 14872 1 20 . 1 1 47 47 TYR C C 47 175.730 175.730 175.848 -0.118 18154 14873 1 20 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.343 1.857 18154 14874 1 20 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.282 0.733 18154 14875 1 20 . 1 1 47 47 TYR H H 47 8.291 8.291 8.060 0.231 18154 14876 1 20 . 1 1 48 48 GLN N N 48 116.524 116.524 118.489 -1.965 18154 14877 1 20 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.996 -0.111 18154 14878 1 20 . 1 1 48 48 GLN C C 48 174.381 174.381 176.450 -2.069 18154 14879 1 20 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.205 0.622 18154 14880 1 20 . 1 1 48 48 GLN CB C 48 31.000 31.000 29.191 1.809 18154 14881 1 20 . 1 1 48 48 GLN H H 48 7.300 7.300 7.346 -0.046 18154 14882 1 20 . 1 1 49 49 ASP N N 49 114.657 114.657 114.123 0.534 18154 14883 1 20 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.652 0.035 18154 14884 1 20 . 1 1 49 49 ASP C C 49 176.307 176.307 175.642 0.665 18154 14885 1 20 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.991 -2.256 18154 14886 1 20 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.049 -0.849 18154 14887 1 20 . 1 1 49 49 ASP H H 49 7.854 7.854 8.444 -0.590 18154 14888 1 20 . 1 1 50 50 LYS N N 50 123.514 123.514 119.197 4.317 18154 14889 1 20 . 1 1 50 50 LYS HA H 50 4.590 4.590 3.973 0.617 18154 14890 1 20 . 1 1 50 50 LYS C C 50 172.964 172.964 175.625 -2.661 18154 14891 1 20 . 1 1 50 50 LYS CA C 50 54.693 54.693 56.238 -1.545 18154 14892 1 20 . 1 1 50 50 LYS CB C 50 33.355 33.355 34.136 -0.781 18154 14893 1 20 . 1 1 50 50 LYS H H 50 7.833 7.833 6.952 0.881 18154 14894 1 20 . 1 1 51 51 TYR N N 51 118.375 118.375 114.970 3.405 18154 14895 1 20 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.709 0.346 18154 14896 1 20 . 1 1 51 51 TYR C C 51 175.875 175.875 176.206 -0.331 18154 14897 1 20 . 1 1 51 51 TYR CA C 51 56.421 56.421 55.535 0.886 18154 14898 1 20 . 1 1 51 51 TYR CB C 51 42.477 42.477 41.410 1.067 18154 14899 1 20 . 1 1 51 51 TYR H H 51 7.745 7.745 8.261 -0.516 18154 14900 1 20 . 1 1 52 52 VAL N N 52 112.527 112.527 115.051 -2.524 18154 14901 1 20 . 1 1 52 52 VAL HA H 52 5.500 5.500 5.052 0.448 18154 14902 1 20 . 1 1 52 52 VAL C C 52 173.910 173.910 174.208 -0.298 18154 14903 1 20 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.289 -1.593 18154 14904 1 20 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.316 1.176 18154 14905 1 20 . 1 1 52 52 VAL H H 52 8.673 8.673 8.365 0.308 18154 14906 1 20 . 1 1 53 53 LEU N N 53 124.294 124.294 125.240 -0.946 18154 14907 1 20 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.412 -0.512 18154 14908 1 20 . 1 1 53 53 LEU C C 53 175.070 175.070 174.569 0.501 18154 14909 1 20 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.307 -0.741 18154 14910 1 20 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.418 -1.188 18154 14911 1 20 . 1 1 53 53 LEU H H 53 9.137 9.137 9.135 0.002 18154 14912 1 20 . 1 1 54 54 VAL N N 54 127.850 127.850 126.836 1.014 18154 14913 1 20 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.732 -0.222 18154 14914 1 20 . 1 1 54 54 VAL C C 54 174.030 174.030 174.358 -0.328 18154 14915 1 20 . 1 1 54 54 VAL CA C 54 61.825 61.825 60.557 1.268 18154 14916 1 20 . 1 1 54 54 VAL CB C 54 32.691 32.691 32.467 0.224 18154 14917 1 20 . 1 1 54 54 VAL H H 54 8.619 8.619 9.029 -0.410 18154 14918 1 20 . 1 1 55 55 VAL N N 55 127.181 127.181 127.704 -0.523 18154 14919 1 20 . 1 1 55 55 VAL HA H 55 5.085 5.085 5.031 0.054 18154 14920 1 20 . 1 1 55 55 VAL C C 55 174.942 174.942 174.817 0.125 18154 14921 1 20 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.655 -0.586 18154 14922 1 20 . 1 1 55 55 VAL CB C 55 33.222 33.222 33.821 -0.599 18154 14923 1 20 . 1 1 55 55 VAL H H 55 8.578 8.578 8.756 -0.178 18154 14924 1 20 . 1 1 56 56 THR N N 56 117.420 117.420 122.664 -5.244 18154 14925 1 20 . 1 1 56 56 THR HA H 56 5.590 5.590 4.659 0.931 18154 14926 1 20 . 1 1 56 56 THR C C 56 172.640 172.640 172.891 -0.251 18154 14927 1 20 . 1 1 56 56 THR CA C 56 59.359 59.359 61.258 -1.899 18154 14928 1 20 . 1 1 56 56 THR CB C 56 70.715 70.715 70.678 0.037 18154 14929 1 20 . 1 1 56 56 THR H H 56 8.710 8.710 8.672 0.038 18154 14930 1 20 . 1 1 57 57 SER HA H 57 5.250 5.250 5.139 0.111 18154 14931 1 20 . 1 1 57 57 SER CA C 57 57.730 57.730 57.368 0.362 18154 14932 1 20 . 1 1 57 57 SER CB C 57 64.500 64.500 64.763 -0.262 18154 14933 1 20 . 1 1 57 57 SER H H 57 8.075 8.075 8.953 -0.878 18154 14934 1 20 . 1 1 58 58 THR H H 58 7.900 7.900 8.612 -0.712 18154 14935 1 20 . 1 1 59 59 THR HA H 59 4.900 4.900 3.801 1.099 18154 14936 1 20 . 1 1 59 59 THR CA C 59 61.200 61.200 66.444 -5.244 18154 14937 1 20 . 1 1 59 59 THR CB C 59 73.400 73.400 69.037 4.364 18154 14938 1 20 . 1 1 59 59 THR H H 59 9.230 9.230 8.173 1.057 18154 14939 1 20 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.919 0.581 18154 14940 1 20 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.313 0.093 18154 14941 1 20 . 1 1 61 61 GLN C C 61 175.950 175.950 175.883 0.067 18154 14942 1 20 . 1 1 61 61 GLN CA C 61 55.350 55.350 55.264 0.086 18154 14943 1 20 . 1 1 61 61 GLN CB C 61 29.160 29.160 27.269 1.891 18154 14944 1 20 . 1 1 62 62 GLY N N 62 108.420 108.420 107.066 1.354 18154 14945 1 20 . 1 1 62 62 GLY C C 62 173.134 173.134 174.696 -1.562 18154 14946 1 20 . 1 1 62 62 GLY CA C 62 45.784 45.784 45.354 0.430 18154 14947 1 20 . 1 1 62 62 GLY H H 62 8.073 8.073 7.725 0.348 18154 14948 1 20 . 1 1 63 63 ASP N N 63 118.400 118.400 120.973 -2.573 18154 14949 1 20 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.632 0.148 18154 14950 1 20 . 1 1 63 63 ASP CA C 63 53.296 53.296 54.161 -0.865 18154 14951 1 20 . 1 1 63 63 ASP CB C 63 42.740 42.740 41.796 0.944 18154 14952 1 20 . 1 1 63 63 ASP H H 63 7.248 7.248 8.143 -0.895 18154 14953 1 20 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.005 0.395 18154 14954 1 20 . 1 1 64 64 LEU CA C 64 53.150 53.150 54.642 -1.492 18154 14955 1 20 . 1 1 64 64 LEU CB C 64 41.687 41.687 41.180 0.507 18154 14956 1 20 . 1 1 64 64 LEU H H 64 8.445 8.445 7.433 1.012 18154 14957 1 20 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.410 -0.117 18154 14958 1 20 . 1 1 65 65 PRO CA C 65 62.344 62.344 63.085 -0.741 18154 14959 1 20 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.475 0.005 18154 14960 1 20 . 1 1 66 66 ASP N N 66 121.200 121.200 122.432 -1.232 18154 14961 1 20 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.362 -0.102 18154 14962 1 20 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.460 1.170 18154 14963 1 20 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.793 0.007 18154 14964 1 20 . 1 1 66 66 ASP H H 66 8.605 8.605 8.828 -0.223 18154 14965 1 20 . 1 1 67 67 SER HA H 67 4.292 4.292 4.251 0.041 18154 14966 1 20 . 1 1 67 67 SER C C 67 175.650 175.650 175.515 0.135 18154 14967 1 20 . 1 1 67 67 SER CA C 67 60.500 60.500 60.689 -0.189 18154 14968 1 20 . 1 1 67 67 SER CB C 67 63.530 63.530 63.701 -0.171 18154 14969 1 20 . 1 1 68 68 ILE N N 68 120.550 120.550 120.962 -0.412 18154 14970 1 20 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.337 0.773 18154 14971 1 20 . 1 1 68 68 ILE C C 68 174.713 174.713 176.904 -2.191 18154 14972 1 20 . 1 1 68 68 ILE CA C 68 60.400 60.400 61.287 -0.887 18154 14973 1 20 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.009 4.231 18154 14974 1 20 . 1 1 68 68 ILE H H 68 7.870 7.870 7.589 0.281 18154 14975 1 20 . 1 1 69 69 VAL N N 69 125.740 125.740 122.914 2.826 18154 14976 1 20 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.732 0.013 18154 14977 1 20 . 1 1 69 69 VAL C C 69 174.500 174.500 175.091 -0.591 18154 14978 1 20 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.297 -0.747 18154 14979 1 20 . 1 1 69 69 VAL CB C 69 30.130 30.130 28.698 1.432 18154 14980 1 20 . 1 1 69 69 VAL H H 69 7.428 7.428 8.464 -1.036 18154 14981 1 20 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.374 -0.082 18154 14982 1 20 . 1 1 70 70 PRO C C 70 180.820 180.820 178.798 2.022 18154 14983 1 20 . 1 1 70 70 PRO CA C 70 66.470 66.470 65.963 0.507 18154 14984 1 20 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.267 -0.610 18154 14985 1 20 . 1 1 71 71 LEU N N 71 119.467 119.467 120.098 -0.631 18154 14986 1 20 . 1 1 71 71 LEU HA H 71 3.845 3.845 3.994 -0.149 18154 14987 1 20 . 1 1 71 71 LEU C C 71 176.489 176.489 178.401 -1.912 18154 14988 1 20 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.964 0.243 18154 14989 1 20 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.765 -0.279 18154 14990 1 20 . 1 1 71 71 LEU H H 71 7.918 7.918 7.630 0.288 18154 14991 1 20 . 1 1 72 72 PHE N N 72 119.361 119.361 120.091 -0.730 18154 14992 1 20 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.338 -0.193 18154 14993 1 20 . 1 1 72 72 PHE C C 72 175.968 175.968 176.879 -0.911 18154 14994 1 20 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.981 -0.160 18154 14995 1 20 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.677 0.870 18154 14996 1 20 . 1 1 72 72 PHE H H 72 7.903 7.903 8.796 -0.893 18154 14997 1 20 . 1 1 73 73 GLN N N 73 116.100 116.100 116.821 -0.721 18154 14998 1 20 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.780 -0.253 18154 14999 1 20 . 1 1 73 73 GLN C C 73 177.871 177.871 178.548 -0.677 18154 15000 1 20 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.970 -0.830 18154 15001 1 20 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.497 -0.350 18154 15002 1 20 . 1 1 73 73 GLN H H 73 9.042 9.042 8.534 0.508 18154 15003 1 20 . 1 1 74 74 GLY N N 74 107.110 107.110 108.553 -1.443 18154 15004 1 20 . 1 1 74 74 GLY C C 74 175.894 175.894 176.168 -0.274 18154 15005 1 20 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.915 0.365 18154 15006 1 20 . 1 1 74 74 GLY H H 74 8.045 8.045 8.244 -0.199 18154 15007 1 20 . 1 1 75 75 ILE N N 75 123.629 123.629 122.759 0.870 18154 15008 1 20 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.349 -0.299 18154 15009 1 20 . 1 1 75 75 ILE C C 75 178.622 178.622 177.118 1.504 18154 15010 1 20 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.865 0.392 18154 15011 1 20 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.455 0.513 18154 15012 1 20 . 1 1 75 75 ILE H H 75 8.174 8.174 8.051 0.123 18154 15013 1 20 . 1 1 76 76 LYS N N 76 119.363 119.363 118.598 0.765 18154 15014 1 20 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.758 -0.453 18154 15015 1 20 . 1 1 76 76 LYS C C 76 177.909 177.909 178.282 -0.373 18154 15016 1 20 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.302 0.403 18154 15017 1 20 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.907 0.443 18154 15018 1 20 . 1 1 76 76 LYS H H 76 7.600 7.600 7.441 0.160 18154 15019 1 20 . 1 1 77 77 ASP N N 77 115.190 115.190 118.005 -2.815 18154 15020 1 20 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.551 -0.069 18154 15021 1 20 . 1 1 77 77 ASP C C 77 178.825 178.825 178.306 0.519 18154 15022 1 20 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.208 0.072 18154 15023 1 20 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.825 -0.636 18154 15024 1 20 . 1 1 77 77 ASP H H 77 8.482 8.482 8.350 0.132 18154 15025 1 20 . 1 1 78 78 SER N N 78 112.576 112.576 116.169 -3.593 18154 15026 1 20 . 1 1 78 78 SER HA H 78 4.728 4.728 4.390 0.338 18154 15027 1 20 . 1 1 78 78 SER C C 78 174.556 174.556 174.926 -0.370 18154 15028 1 20 . 1 1 78 78 SER CA C 78 60.045 60.045 60.556 -0.511 18154 15029 1 20 . 1 1 78 78 SER CB C 78 64.643 64.643 63.851 0.792 18154 15030 1 20 . 1 1 78 78 SER H H 78 8.273 8.273 7.983 0.290 18154 15031 1 20 . 1 1 79 79 LEU N N 79 120.833 120.833 121.175 -0.342 18154 15032 1 20 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.399 0.416 18154 15033 1 20 . 1 1 79 79 LEU C C 79 176.251 176.251 178.801 -2.550 18154 15034 1 20 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.366 -2.406 18154 15035 1 20 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.259 -3.063 18154 15036 1 20 . 1 1 79 79 LEU H H 79 7.025 7.025 7.589 -0.564 18154 15037 1 20 . 1 1 80 80 GLY N N 80 108.861 108.861 106.851 2.010 18154 15038 1 20 . 1 1 80 80 GLY C C 80 173.623 173.623 173.571 0.052 18154 15039 1 20 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.395 -0.166 18154 15040 1 20 . 1 1 80 80 GLY H H 80 7.499 7.499 8.170 -0.671 18154 15041 1 20 . 1 1 81 81 PHE N N 81 121.441 121.441 119.721 1.720 18154 15042 1 20 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.968 0.092 18154 15043 1 20 . 1 1 81 81 PHE C C 81 174.411 174.411 172.537 1.874 18154 15044 1 20 . 1 1 81 81 PHE CA C 81 57.211 57.211 56.482 0.729 18154 15045 1 20 . 1 1 81 81 PHE CB C 81 40.620 40.620 42.010 -1.390 18154 15046 1 20 . 1 1 81 81 PHE H H 81 8.018 8.018 7.497 0.521 18154 15047 1 20 . 1 1 82 82 GLN N N 82 126.480 126.480 123.589 2.891 18154 15048 1 20 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.633 0.257 18154 15049 1 20 . 1 1 82 82 GLN C C 82 172.700 172.700 173.623 -0.923 18154 15050 1 20 . 1 1 82 82 GLN CA C 82 54.177 54.177 51.798 2.378 18154 15051 1 20 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.354 2.246 18154 15052 1 20 . 1 1 82 82 GLN H H 82 9.588 9.588 7.532 2.056 18154 15053 1 20 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.056 0.317 18154 15054 1 20 . 1 1 83 83 PRO C C 83 178.163 178.163 176.618 1.545 18154 15055 1 20 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.476 -0.785 18154 15056 1 20 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.366 -0.501 18154 15057 1 20 . 1 1 84 84 ASN N N 84 116.900 116.900 113.913 2.987 18154 15058 1 20 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.880 -0.111 18154 15059 1 20 . 1 1 84 84 ASN C C 84 173.332 173.332 173.594 -0.262 18154 15060 1 20 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.486 0.074 18154 15061 1 20 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.533 -1.273 18154 15062 1 20 . 1 1 84 84 ASN H H 84 8.578 8.578 8.199 0.379 18154 15063 1 20 . 1 1 85 85 LEU N N 85 124.380 124.380 121.832 2.548 18154 15064 1 20 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.445 -0.399 18154 15065 1 20 . 1 1 85 85 LEU C C 85 175.880 175.880 176.091 -0.211 18154 15066 1 20 . 1 1 85 85 LEU CA C 85 55.842 55.842 55.153 0.689 18154 15067 1 20 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.137 -0.837 18154 15068 1 20 . 1 1 85 85 LEU H H 85 7.240 7.240 7.684 -0.444 18154 15069 1 20 . 1 1 86 86 ARG N N 86 128.715 128.715 123.505 5.210 18154 15070 1 20 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.726 0.068 18154 15071 1 20 . 1 1 86 86 ARG C C 86 175.554 175.554 175.621 -0.067 18154 15072 1 20 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.599 0.843 18154 15073 1 20 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.575 -0.702 18154 15074 1 20 . 1 1 86 86 ARG H H 86 7.732 7.732 8.276 -0.544 18154 15075 1 20 . 1 1 87 87 TYR N N 87 117.420 117.420 116.974 0.446 18154 15076 1 20 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.815 0.950 18154 15077 1 20 . 1 1 87 87 TYR C C 87 172.931 172.931 173.543 -0.612 18154 15078 1 20 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.330 -1.069 18154 15079 1 20 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.491 3.447 18154 15080 1 20 . 1 1 87 87 TYR H H 87 8.783 8.783 8.203 0.580 18154 15081 1 20 . 1 1 88 88 GLY N N 88 107.765 107.765 105.519 2.246 18154 15082 1 20 . 1 1 88 88 GLY C C 88 172.621 172.621 171.658 0.963 18154 15083 1 20 . 1 1 88 88 GLY CA C 88 43.861 43.861 44.201 -0.340 18154 15084 1 20 . 1 1 88 88 GLY H H 88 8.905 8.905 8.497 0.408 18154 15085 1 20 . 1 1 89 89 VAL N N 89 118.180 118.180 116.734 1.446 18154 15086 1 20 . 1 1 89 89 VAL HA H 89 5.001 5.001 5.267 -0.266 18154 15087 1 20 . 1 1 89 89 VAL C C 89 172.939 172.939 173.370 -0.431 18154 15088 1 20 . 1 1 89 89 VAL CA C 89 60.999 60.999 59.277 1.722 18154 15089 1 20 . 1 1 89 89 VAL CB C 89 36.398 36.398 36.089 0.309 18154 15090 1 20 . 1 1 89 89 VAL H H 89 7.499 7.499 8.345 -0.846 18154 15091 1 20 . 1 1 90 90 ILE N N 90 125.000 125.000 122.550 2.450 18154 15092 1 20 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.116 0.011 18154 15093 1 20 . 1 1 90 90 ILE C C 90 173.099 173.099 174.080 -0.981 18154 15094 1 20 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.679 0.809 18154 15095 1 20 . 1 1 90 90 ILE CB C 90 40.398 40.398 39.851 0.547 18154 15096 1 20 . 1 1 90 90 ILE H H 90 8.810 8.810 8.591 0.219 18154 15097 1 20 . 1 1 91 91 ALA N N 91 129.036 129.036 129.897 -0.861 18154 15098 1 20 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.350 -0.024 18154 15099 1 20 . 1 1 91 91 ALA C C 91 174.000 174.000 175.832 -1.832 18154 15100 1 20 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.734 -0.734 18154 15101 1 20 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.161 0.939 18154 15102 1 20 . 1 1 91 91 ALA H H 91 9.253 9.253 8.882 0.371 18154 15103 1 20 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.065 -0.134 18154 15104 1 20 . 1 1 92 92 LEU C C 92 177.366 177.366 177.135 0.231 18154 15105 1 20 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.282 0.635 18154 15106 1 20 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.248 -2.848 18154 15107 1 20 . 1 1 93 93 GLY N N 93 110.663 110.663 109.092 1.571 18154 15108 1 20 . 1 1 93 93 GLY C C 93 172.029 172.029 171.870 0.159 18154 15109 1 20 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.929 -0.200 18154 15110 1 20 . 1 1 93 93 GLY H H 93 8.687 8.687 8.798 -0.111 18154 15111 1 20 . 1 1 94 94 ASP N N 94 119.304 119.304 121.107 -1.803 18154 15112 1 20 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.567 -0.307 18154 15113 1 20 . 1 1 94 94 ASP C C 94 176.978 176.978 177.411 -0.433 18154 15114 1 20 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.279 1.328 18154 15115 1 20 . 1 1 94 94 ASP CB C 94 43.000 43.000 42.237 0.763 18154 15116 1 20 . 1 1 94 94 ASP H H 94 8.129 8.129 8.383 -0.254 18154 15117 1 20 . 1 1 95 95 SER N N 95 123.897 123.897 121.899 1.998 18154 15118 1 20 . 1 1 95 95 SER HA H 95 3.895 3.895 4.316 -0.421 18154 15119 1 20 . 1 1 95 95 SER C C 95 175.243 175.243 175.244 -0.001 18154 15120 1 20 . 1 1 95 95 SER CA C 95 60.183 60.183 60.212 -0.029 18154 15121 1 20 . 1 1 95 95 SER CB C 95 61.700 61.700 62.977 -1.277 18154 15122 1 20 . 1 1 95 95 SER H H 95 8.878 8.878 9.408 -0.530 18154 15123 1 20 . 1 1 96 96 SER N N 96 119.248 119.248 115.621 3.627 18154 15124 1 20 . 1 1 96 96 SER HA H 96 4.209 4.209 4.289 -0.080 18154 15125 1 20 . 1 1 96 96 SER C C 96 173.900 173.900 174.606 -0.706 18154 15126 1 20 . 1 1 96 96 SER CA C 96 60.197 60.197 59.841 0.356 18154 15127 1 20 . 1 1 96 96 SER CB C 96 63.000 63.000 63.684 -0.684 18154 15128 1 20 . 1 1 96 96 SER H H 96 9.124 9.124 8.414 0.710 18154 15129 1 20 . 1 1 97 97 TYR N N 97 120.889 120.889 120.264 0.625 18154 15130 1 20 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.477 0.411 18154 15131 1 20 . 1 1 97 97 TYR C C 97 175.972 175.972 175.721 0.251 18154 15132 1 20 . 1 1 97 97 TYR CA C 97 55.750 55.750 57.985 -2.235 18154 15133 1 20 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.297 0.523 18154 15134 1 20 . 1 1 97 97 TYR H H 97 7.664 7.664 7.764 -0.100 18154 15135 1 20 . 1 1 98 98 VAL N N 98 116.952 116.952 117.500 -0.548 18154 15136 1 20 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.942 0.118 18154 15137 1 20 . 1 1 98 98 VAL C C 98 175.969 175.969 176.164 -0.195 18154 15138 1 20 . 1 1 98 98 VAL CA C 98 62.840 62.840 62.763 0.077 18154 15139 1 20 . 1 1 98 98 VAL CB C 98 32.600 32.600 32.853 -0.253 18154 15140 1 20 . 1 1 98 98 VAL H H 98 7.970 7.970 8.289 -0.319 18154 15141 1 20 . 1 1 99 99 ASN N N 99 118.156 118.156 114.742 3.414 18154 15142 1 20 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.406 0.105 18154 15143 1 20 . 1 1 99 99 ASN C C 99 174.329 174.329 174.579 -0.250 18154 15144 1 20 . 1 1 99 99 ASN CA C 99 53.031 53.031 54.037 -1.006 18154 15145 1 20 . 1 1 99 99 ASN CB C 99 37.238 37.238 36.389 0.849 18154 15146 1 20 . 1 1 99 99 ASN H H 99 8.296 8.296 8.624 -0.328 18154 15147 1 20 . 1 1 100 100 PHE N N 100 118.649 118.649 119.595 -0.946 18154 15148 1 20 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.275 0.140 18154 15149 1 20 . 1 1 100 100 PHE C C 100 174.400 174.400 176.400 -2.000 18154 15150 1 20 . 1 1 100 100 PHE CA C 100 58.190 58.190 59.835 -1.645 18154 15151 1 20 . 1 1 100 100 PHE CB C 100 39.679 39.679 39.122 0.557 18154 15152 1 20 . 1 1 100 100 PHE H H 100 7.855 7.855 8.262 -0.407 18154 15153 1 20 . 1 1 101 101 CYS HA H 101 3.585 3.585 3.674 -0.089 18154 15154 1 20 . 1 1 101 101 CYS CA C 101 62.740 62.740 60.046 2.694 18154 15155 1 20 . 1 1 101 101 CYS CB C 101 26.000 26.000 25.431 0.569 18154 15156 1 20 . 1 1 101 101 CYS H H 101 9.240 9.240 8.658 0.582 18154 15157 1 20 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.344 -0.124 18154 15158 1 20 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.355 0.845 18154 15159 1 20 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.703 -0.103 18154 15160 1 20 . 1 1 102 102 ASN H H 102 8.300 8.300 8.230 0.070 18154 15161 1 20 . 1 1 103 103 GLY C C 103 175.690 175.690 175.801 -0.111 18154 15162 1 20 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.059 0.291 18154 15163 1 20 . 1 1 104 104 GLY N N 104 106.150 106.150 109.991 -3.841 18154 15164 1 20 . 1 1 104 104 GLY C C 104 174.570 174.570 176.192 -1.622 18154 15165 1 20 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.440 0.910 18154 15166 1 20 . 1 1 104 104 GLY H H 104 7.108 7.108 7.665 -0.557 18154 15167 1 20 . 1 1 105 105 LYS N N 105 120.732 120.732 122.710 -1.978 18154 15168 1 20 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.956 -0.019 18154 15169 1 20 . 1 1 105 105 LYS C C 105 179.706 179.706 179.163 0.543 18154 15170 1 20 . 1 1 105 105 LYS CA C 105 60.308 60.308 60.047 0.261 18154 15171 1 20 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.263 -0.466 18154 15172 1 20 . 1 1 105 105 LYS H H 105 7.708 7.708 7.862 -0.154 18154 15173 1 20 . 1 1 106 106 GLN N N 106 119.087 119.087 118.343 0.744 18154 15174 1 20 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.145 -0.003 18154 15175 1 20 . 1 1 106 106 GLN C C 106 179.418 179.418 178.735 0.683 18154 15176 1 20 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.430 0.445 18154 15177 1 20 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.239 0.520 18154 15178 1 20 . 1 1 106 106 GLN H H 106 8.738 8.738 8.502 0.236 18154 15179 1 20 . 1 1 107 107 PHE N N 107 123.088 123.088 121.066 2.022 18154 15180 1 20 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.402 -0.152 18154 15181 1 20 . 1 1 107 107 PHE C C 107 178.403 178.403 177.733 0.670 18154 15182 1 20 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.896 0.289 18154 15183 1 20 . 1 1 107 107 PHE CB C 107 39.451 39.451 38.998 0.453 18154 15184 1 20 . 1 1 107 107 PHE H H 107 7.922 7.922 8.309 -0.387 18154 15185 1 20 . 1 1 108 108 ASP N N 108 117.118 117.118 120.481 -3.363 18154 15186 1 20 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.489 -0.115 18154 15187 1 20 . 1 1 108 108 ASP C C 108 176.973 176.973 178.396 -1.423 18154 15188 1 20 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.364 1.065 18154 15189 1 20 . 1 1 108 108 ASP CB C 108 44.123 44.123 40.865 3.258 18154 15190 1 20 . 1 1 108 108 ASP H H 108 8.305 8.305 8.534 -0.229 18154 15191 1 20 . 1 1 109 109 ALA N N 109 118.590 118.590 122.231 -3.641 18154 15192 1 20 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.056 -0.006 18154 15193 1 20 . 1 1 109 109 ALA C C 109 180.430 180.430 179.450 0.980 18154 15194 1 20 . 1 1 109 109 ALA CA C 109 55.196 55.196 54.987 0.209 18154 15195 1 20 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.551 -0.444 18154 15196 1 20 . 1 1 109 109 ALA H H 109 8.332 8.332 8.311 0.021 18154 15197 1 20 . 1 1 110 110 LEU N N 110 120.402 120.402 119.569 0.833 18154 15198 1 20 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.840 0.245 18154 15199 1 20 . 1 1 110 110 LEU C C 110 177.801 177.801 178.702 -0.901 18154 15200 1 20 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.680 -0.040 18154 15201 1 20 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.698 1.058 18154 15202 1 20 . 1 1 110 110 LEU H H 110 7.868 7.868 8.051 -0.183 18154 15203 1 20 . 1 1 111 111 LEU N N 111 116.945 116.945 117.344 -0.399 18154 15204 1 20 . 1 1 111 111 LEU HA H 111 3.718 3.718 4.046 -0.328 18154 15205 1 20 . 1 1 111 111 LEU C C 111 179.838 179.838 179.832 0.006 18154 15206 1 20 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.143 0.822 18154 15207 1 20 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.175 -2.316 18154 15208 1 20 . 1 1 111 111 LEU H H 111 7.704 7.704 7.367 0.337 18154 15209 1 20 . 1 1 112 112 GLN N N 112 118.484 118.484 117.127 1.357 18154 15210 1 20 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.158 -0.017 18154 15211 1 20 . 1 1 112 112 GLN C C 112 181.218 181.218 178.023 3.195 18154 15212 1 20 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.764 1.202 18154 15213 1 20 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.279 0.981 18154 15214 1 20 . 1 1 112 112 GLN H H 112 8.441 8.441 8.068 0.373 18154 15215 1 20 . 1 1 113 113 GLU N N 113 122.905 122.905 115.831 7.074 18154 15216 1 20 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.156 0.025 18154 15217 1 20 . 1 1 113 113 GLU C C 113 178.001 178.001 177.320 0.681 18154 15218 1 20 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.548 1.437 18154 15219 1 20 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.463 -0.193 18154 15220 1 20 . 1 1 113 113 GLU H H 113 8.305 8.305 7.807 0.498 18154 15221 1 20 . 1 1 114 114 GLN N N 114 117.332 117.332 117.906 -0.574 18154 15222 1 20 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.301 0.294 18154 15223 1 20 . 1 1 114 114 GLN C C 114 174.538 174.538 176.751 -2.213 18154 15224 1 20 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.468 -1.051 18154 15225 1 20 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.661 -4.831 18154 15226 1 20 . 1 1 114 114 GLN H H 114 7.520 7.520 7.489 0.031 18154 15227 1 20 . 1 1 115 115 SER N N 115 109.100 109.100 109.689 -0.589 18154 15228 1 20 . 1 1 115 115 SER HA H 115 4.200 4.200 4.556 -0.356 18154 15229 1 20 . 1 1 115 115 SER C C 115 172.302 172.302 173.636 -1.334 18154 15230 1 20 . 1 1 115 115 SER CA C 115 60.400 60.400 58.471 1.929 18154 15231 1 20 . 1 1 115 115 SER CB C 115 61.325 61.325 66.072 -4.747 18154 15232 1 20 . 1 1 115 115 SER H H 115 7.950 7.950 7.859 0.091 18154 15233 1 20 . 1 1 116 116 ALA N N 116 121.059 121.059 125.740 -4.681 18154 15234 1 20 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.341 0.453 18154 15235 1 20 . 1 1 116 116 ALA C C 116 176.774 176.774 175.970 0.804 18154 15236 1 20 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.063 -0.374 18154 15237 1 20 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.805 0.560 18154 15238 1 20 . 1 1 116 116 ALA H H 116 7.813 7.813 7.916 -0.103 18154 15239 1 20 . 1 1 117 117 GLN N N 117 118.000 118.000 118.370 -0.370 18154 15240 1 20 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.642 -0.024 18154 15241 1 20 . 1 1 117 117 GLN C C 117 173.769 173.769 175.300 -1.531 18154 15242 1 20 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.132 0.424 18154 15243 1 20 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.002 -0.266 18154 15244 1 20 . 1 1 117 117 GLN H H 117 8.591 8.591 8.365 0.226 18154 15245 1 20 . 1 1 118 118 ARG N N 118 127.947 127.947 124.462 3.485 18154 15246 1 20 . 1 1 118 118 ARG HA H 118 3.308 3.308 3.321 -0.013 18154 15247 1 20 . 1 1 118 118 ARG C C 118 176.758 176.758 175.345 1.413 18154 15248 1 20 . 1 1 118 118 ARG CA C 118 56.186 56.186 56.291 -0.105 18154 15249 1 20 . 1 1 118 118 ARG CB C 118 30.310 30.310 31.142 -0.832 18154 15250 1 20 . 1 1 118 118 ARG H H 118 8.659 8.659 8.776 -0.117 18154 15251 1 20 . 1 1 119 119 VAL N N 119 131.939 131.939 122.760 9.179 18154 15252 1 20 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.226 -0.113 18154 15253 1 20 . 1 1 119 119 VAL C C 119 176.775 176.775 176.085 0.690 18154 15254 1 20 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.077 1.097 18154 15255 1 20 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.143 -0.749 18154 15256 1 20 . 1 1 119 119 VAL H H 119 9.520 9.520 8.347 1.173 18154 15257 1 20 . 1 1 120 120 GLY N N 120 116.074 116.074 116.161 -0.087 18154 15258 1 20 . 1 1 120 120 GLY C C 120 172.757 172.757 173.586 -0.829 18154 15259 1 20 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.405 -1.507 18154 15260 1 20 . 1 1 120 120 GLY H H 120 8.755 8.755 8.248 0.507 18154 15261 1 20 . 1 1 121 121 GLU N N 121 118.754 118.754 120.722 -1.968 18154 15262 1 20 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.676 -0.010 18154 15263 1 20 . 1 1 121 121 GLU C C 121 177.419 177.419 176.693 0.726 18154 15264 1 20 . 1 1 121 121 GLU CA C 121 54.491 54.491 55.336 -0.845 18154 15265 1 20 . 1 1 121 121 GLU CB C 121 31.498 31.498 31.249 0.249 18154 15266 1 20 . 1 1 121 121 GLU H H 121 8.594 8.594 8.551 0.043 18154 15267 1 20 . 1 1 122 122 MET N N 122 122.642 122.642 120.029 2.613 18154 15268 1 20 . 1 1 122 122 MET HA H 122 4.415 4.415 5.004 -0.589 18154 15269 1 20 . 1 1 122 122 MET C C 122 175.351 175.351 174.717 0.634 18154 15270 1 20 . 1 1 122 122 MET CA C 122 57.024 57.024 54.817 2.207 18154 15271 1 20 . 1 1 122 122 MET CB C 122 34.210 34.210 33.640 0.570 18154 15272 1 20 . 1 1 122 122 MET H H 122 8.892 8.892 8.548 0.344 18154 15273 1 20 . 1 1 123 123 LEU N N 123 129.535 129.535 122.016 7.519 18154 15274 1 20 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.473 -0.123 18154 15275 1 20 . 1 1 123 123 LEU C C 123 173.124 173.124 174.473 -1.349 18154 15276 1 20 . 1 1 123 123 LEU CA C 123 53.739 53.739 52.937 0.802 18154 15277 1 20 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.882 -1.804 18154 15278 1 20 . 1 1 123 123 LEU H H 123 7.868 7.868 7.387 0.481 18154 15279 1 20 . 1 1 124 124 LEU N N 124 127.120 127.120 125.779 1.341 18154 15280 1 20 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.659 0.396 18154 15281 1 20 . 1 1 124 124 LEU C C 124 176.379 176.379 176.168 0.211 18154 15282 1 20 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.181 0.369 18154 15283 1 20 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.651 -1.273 18154 15284 1 20 . 1 1 124 124 LEU H H 124 8.346 8.346 8.295 0.051 18154 15285 1 20 . 1 1 125 125 ILE N N 125 124.337 124.337 125.126 -0.789 18154 15286 1 20 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.338 -0.158 18154 15287 1 20 . 1 1 125 125 ILE C C 125 174.303 174.303 175.108 -0.805 18154 15288 1 20 . 1 1 125 125 ILE CA C 125 61.100 61.100 61.889 -0.789 18154 15289 1 20 . 1 1 125 125 ILE CB C 125 39.943 39.943 39.971 -0.028 18154 15290 1 20 . 1 1 125 125 ILE H H 125 8.974 8.974 8.733 0.241 18154 15291 1 20 . 1 1 126 126 ASP N N 126 127.113 127.113 128.699 -1.586 18154 15292 1 20 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.450 -0.335 18154 15293 1 20 . 1 1 126 126 ASP C C 126 176.766 176.766 176.190 0.576 18154 15294 1 20 . 1 1 126 126 ASP CA C 126 51.847 51.847 51.982 -0.135 18154 15295 1 20 . 1 1 126 126 ASP CB C 126 41.100 41.100 42.415 -1.315 18154 15296 1 20 . 1 1 126 126 ASP H H 126 9.397 9.397 8.530 0.867 18154 15297 1 20 . 1 1 127 127 ALA N N 127 131.178 131.178 130.900 0.278 18154 15298 1 20 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.532 -0.216 18154 15299 1 20 . 1 1 127 127 ALA C C 127 178.530 178.530 178.768 -0.238 18154 15300 1 20 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.135 -0.288 18154 15301 1 20 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.132 -0.340 18154 15302 1 20 . 1 1 127 127 ALA H H 127 9.696 9.696 9.172 0.524 18154 15303 1 20 . 1 1 128 128 SER N N 128 112.064 112.064 112.211 -0.147 18154 15304 1 20 . 1 1 128 128 SER HA H 128 4.224 4.224 4.331 -0.107 18154 15305 1 20 . 1 1 128 128 SER C C 128 175.000 175.000 175.441 -0.441 18154 15306 1 20 . 1 1 128 128 SER CA C 128 61.246 61.246 60.900 0.346 18154 15307 1 20 . 1 1 128 128 SER CB C 128 63.310 63.310 63.591 -0.281 18154 15308 1 20 . 1 1 128 128 SER H H 128 8.373 8.373 8.138 0.235 18154 15309 1 20 . 1 1 129 129 GLU N N 129 119.468 119.468 118.902 0.566 18154 15310 1 20 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.435 -0.035 18154 15311 1 20 . 1 1 129 129 GLU C C 129 175.947 175.947 176.256 -0.309 18154 15312 1 20 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.895 -0.480 18154 15313 1 20 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.627 0.103 18154 15314 1 20 . 1 1 129 129 GLU H H 129 7.267 7.267 7.668 -0.401 18154 15315 1 20 . 1 1 130 130 ASN N N 130 115.968 115.968 117.420 -1.452 18154 15316 1 20 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.099 0.067 18154 15317 1 20 . 1 1 130 130 ASN C C 130 172.000 172.000 173.722 -1.722 18154 15318 1 20 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.967 -0.744 18154 15319 1 20 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.882 -0.216 18154 15320 1 20 . 1 1 130 130 ASN H H 130 8.072 8.072 8.064 0.008 18154 15321 1 20 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.614 -0.064 18154 15322 1 20 . 1 1 131 131 PRO C C 131 176.400 176.400 176.342 0.058 18154 15323 1 20 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.566 -0.066 18154 15324 1 20 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.936 0.364 18154 15325 1 20 . 1 1 132 132 GLU N N 132 119.000 119.000 119.146 -0.146 18154 15326 1 20 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.804 0.216 18154 15327 1 20 . 1 1 132 132 GLU C C 132 174.200 174.200 175.161 -0.961 18154 15328 1 20 . 1 1 132 132 GLU CA C 132 53.000 53.000 53.139 -0.139 18154 15329 1 20 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.446 0.254 18154 15330 1 20 . 1 1 132 132 GLU H H 132 7.690 7.690 8.067 -0.377 18154 15331 1 20 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.227 -0.227 18154 15332 1 20 . 1 1 133 133 PRO C C 133 177.391 177.391 178.168 -0.777 18154 15333 1 20 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.134 0.335 18154 15334 1 20 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.976 0.169 18154 15335 1 20 . 1 1 134 134 GLU N N 134 122.846 122.846 117.824 5.022 18154 15336 1 20 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.198 1.022 18154 15337 1 20 . 1 1 134 134 GLU C C 134 178.385 178.385 178.751 -0.366 18154 15338 1 20 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.228 -1.637 18154 15339 1 20 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.598 -2.008 18154 15340 1 20 . 1 1 134 134 GLU H H 134 10.707 10.707 8.800 1.907 18154 15341 1 20 . 1 1 135 135 THR N N 135 113.016 113.016 111.814 1.202 18154 15342 1 20 . 1 1 135 135 THR HA H 135 4.182 4.182 4.170 0.012 18154 15343 1 20 . 1 1 135 135 THR C C 135 176.460 176.460 175.838 0.622 18154 15344 1 20 . 1 1 135 135 THR CA C 135 64.752 64.752 65.015 -0.263 18154 15345 1 20 . 1 1 135 135 THR CB C 135 69.248 69.248 68.779 0.469 18154 15346 1 20 . 1 1 135 135 THR H H 135 8.168 8.168 8.208 -0.040 18154 15347 1 20 . 1 1 136 136 GLU N N 136 118.978 118.978 121.632 -2.654 18154 15348 1 20 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.383 0.181 18154 15349 1 20 . 1 1 136 136 GLU C C 136 178.370 178.370 178.567 -0.197 18154 15350 1 20 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.661 -1.748 18154 15351 1 20 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.349 1.751 18154 15352 1 20 . 1 1 136 136 GLU H H 136 7.680 7.680 7.747 -0.067 18154 15353 1 20 . 1 1 137 137 SER N N 137 116.501 116.501 115.715 0.786 18154 15354 1 20 . 1 1 137 137 SER HA H 137 4.033 4.033 4.212 -0.179 18154 15355 1 20 . 1 1 137 137 SER C C 137 175.670 175.670 176.625 -0.955 18154 15356 1 20 . 1 1 137 137 SER CA C 137 62.330 62.330 61.891 0.439 18154 15357 1 20 . 1 1 137 137 SER CB C 137 61.380 61.380 63.080 -1.700 18154 15358 1 20 . 1 1 137 137 SER H H 137 8.824 8.824 8.231 0.593 18154 15359 1 20 . 1 1 138 138 ASN N N 138 123.517 123.517 121.354 2.163 18154 15360 1 20 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.737 -0.146 18154 15361 1 20 . 1 1 138 138 ASN C C 138 175.700 175.700 175.374 0.326 18154 15362 1 20 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.855 -0.369 18154 15363 1 20 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.130 -2.877 18154 15364 1 20 . 1 1 138 138 ASN H H 138 8.564 8.564 8.562 0.002 18154 15365 1 20 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.327 0.128 18154 15366 1 20 . 1 1 139 139 PRO C C 139 180.033 180.033 178.315 1.718 18154 15367 1 20 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.257 0.353 18154 15368 1 20 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.315 -0.779 18154 15369 1 20 . 1 1 140 140 TRP N N 140 119.700 119.700 121.579 -1.879 18154 15370 1 20 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.398 -0.065 18154 15371 1 20 . 1 1 140 140 TRP C C 140 179.195 179.195 177.927 1.268 18154 15372 1 20 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.760 0.420 18154 15373 1 20 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.473 1.278 18154 15374 1 20 . 1 1 140 140 TRP H H 140 7.057 7.057 7.517 -0.460 18154 15375 1 20 . 1 1 141 141 VAL N N 141 122.879 122.879 119.625 3.254 18154 15376 1 20 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.743 -0.007 18154 15377 1 20 . 1 1 141 141 VAL C C 141 177.416 177.416 178.627 -1.211 18154 15378 1 20 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.644 -0.927 18154 15379 1 20 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.542 -0.110 18154 15380 1 20 . 1 1 141 141 VAL H H 141 9.629 9.629 8.846 0.783 18154 15381 1 20 . 1 1 142 142 GLU N N 142 119.965 119.965 119.269 0.696 18154 15382 1 20 . 1 1 142 142 GLU HA H 142 3.732 3.732 4.130 -0.398 18154 15383 1 20 . 1 1 142 142 GLU C C 142 178.800 178.800 178.760 0.040 18154 15384 1 20 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.346 -0.014 18154 15385 1 20 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.387 0.173 18154 15386 1 20 . 1 1 142 142 GLU H H 142 8.551 8.551 8.085 0.466 18154 15387 1 20 . 1 1 143 143 GLN N N 143 115.364 115.364 119.120 -3.756 18154 15388 1 20 . 1 1 143 143 GLN HA H 143 4.290 4.290 4.198 0.092 18154 15389 1 20 . 1 1 143 143 GLN C C 143 177.840 177.840 177.809 0.031 18154 15390 1 20 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.113 1.250 18154 15391 1 20 . 1 1 143 143 GLN CB C 143 29.362 29.362 28.929 0.433 18154 15392 1 20 . 1 1 143 143 GLN H H 143 7.380 7.380 7.887 -0.507 18154 15393 1 20 . 1 1 144 144 TRP N N 144 126.680 126.680 122.811 3.869 18154 15394 1 20 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.935 -0.601 18154 15395 1 20 . 1 1 144 144 TRP C C 144 178.200 178.200 178.476 -0.276 18154 15396 1 20 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.714 2.246 18154 15397 1 20 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.238 0.287 18154 15398 1 20 . 1 1 144 144 TRP H H 144 9.215 9.215 8.700 0.515 18154 15399 1 20 . 1 1 145 145 GLY N N 145 100.130 100.130 105.508 -5.378 18154 15400 1 20 . 1 1 145 145 GLY C C 145 177.391 177.391 175.510 1.881 18154 15401 1 20 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.386 -0.626 18154 15402 1 20 . 1 1 145 145 GLY H H 145 8.834 8.834 8.623 0.211 18154 15403 1 20 . 1 1 146 146 THR N N 146 110.831 110.831 114.327 -3.496 18154 15404 1 20 . 1 1 146 146 THR HA H 146 4.319 4.319 4.058 0.261 18154 15405 1 20 . 1 1 146 146 THR C C 146 175.574 175.574 175.572 0.002 18154 15406 1 20 . 1 1 146 146 THR CA C 146 63.260 63.260 64.351 -1.091 18154 15407 1 20 . 1 1 146 146 THR CB C 146 69.660 69.660 68.698 0.963 18154 15408 1 20 . 1 1 146 146 THR H H 146 7.594 7.594 7.659 -0.065 18154 15409 1 20 . 1 1 147 147 LEU N N 147 120.678 120.678 118.752 1.926 18154 15410 1 20 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.069 -0.011 18154 15411 1 20 . 1 1 147 147 LEU C C 147 177.176 177.176 177.172 0.004 18154 15412 1 20 . 1 1 147 147 LEU CA C 147 54.314 54.314 56.170 -1.856 18154 15413 1 20 . 1 1 147 147 LEU CB C 147 41.228 41.228 40.954 0.274 18154 15414 1 20 . 1 1 147 147 LEU H H 147 7.458 7.458 7.572 -0.115 18154 15415 1 20 . 1 1 148 148 LEU N N 148 117.062 117.062 116.639 0.423 18154 15416 1 20 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.620 0.098 18154 15417 1 20 . 1 1 148 148 LEU C C 148 175.570 175.570 177.626 -2.056 18154 15418 1 20 . 1 1 148 148 LEU CA C 148 53.951 53.951 55.477 -1.526 18154 15419 1 20 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.430 -1.830 18154 15420 1 20 . 1 1 148 148 LEU H H 148 6.482 6.482 7.080 -0.598 18154 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 119 2.786 -0.094 2.796 18154 2 1 1 "Average Difference" HA 154 0.394 -0.037 0.393 18154 3 1 1 "Average Difference" C 132 1.073 0.160 1.065 18154 4 1 1 "Average Difference" CA 141 1.149 -0.001 1.153 18154 5 1 1 "Average Difference" CB 127 1.364 0.005 1.370 18154 6 1 1 "Average Difference" HN 125 0.543 -0.078 0.539 18154 7 1 2 "Average Difference" N 119 2.808 -0.121 2.817 18154 8 1 2 "Average Difference" HA 154 0.421 -0.012 0.422 18154 9 1 2 "Average Difference" C 132 1.096 0.138 1.091 18154 10 1 2 "Average Difference" CA 141 1.134 -0.040 1.137 18154 11 1 2 "Average Difference" CB 127 1.333 -0.014 1.338 18154 12 1 2 "Average Difference" HN 125 0.545 -0.085 0.541 18154 13 1 3 "Average Difference" N 119 2.719 -0.077 2.729 18154 14 1 3 "Average Difference" HA 154 0.367 -0.014 0.368 18154 15 1 3 "Average Difference" C 132 1.091 0.094 1.091 18154 16 1 3 "Average Difference" CA 141 1.103 -0.093 1.103 18154 17 1 3 "Average Difference" CB 127 1.356 0.074 1.360 18154 18 1 3 "Average Difference" HN 125 0.542 -0.053 0.542 18154 19 1 4 "Average Difference" N 119 2.736 -0.094 2.746 18154 20 1 4 "Average Difference" HA 154 0.375 -0.024 0.375 18154 21 1 4 "Average Difference" C 132 1.048 0.123 1.045 18154 22 1 4 "Average Difference" CA 141 1.242 -0.045 1.246 18154 23 1 4 "Average Difference" CB 127 1.350 0.021 1.355 18154 24 1 4 "Average Difference" HN 125 0.532 -0.061 0.530 18154 25 1 5 "Average Difference" N 119 2.726 -0.131 2.735 18154 26 1 5 "Average Difference" HA 154 0.419 -0.023 0.419 18154 27 1 5 "Average Difference" C 132 1.042 0.116 1.040 18154 28 1 5 "Average Difference" CA 141 1.079 -0.072 1.081 18154 29 1 5 "Average Difference" CB 127 1.348 0.026 1.353 18154 30 1 5 "Average Difference" HN 125 0.540 -0.059 0.539 18154 31 1 6 "Average Difference" N 119 2.773 0.006 2.785 18154 32 1 6 "Average Difference" HA 154 0.386 -0.014 0.387 18154 33 1 6 "Average Difference" C 132 1.095 0.125 1.092 18154 34 1 6 "Average Difference" CA 141 1.091 -0.035 1.095 18154 35 1 6 "Average Difference" CB 127 1.314 -0.007 1.319 18154 36 1 6 "Average Difference" HN 125 0.539 -0.059 0.538 18154 37 1 7 "Average Difference" N 119 2.685 -0.009 2.696 18154 38 1 7 "Average Difference" HA 154 0.377 -0.011 0.378 18154 39 1 7 "Average Difference" C 132 1.093 0.130 1.090 18154 40 1 7 "Average Difference" CA 141 1.132 -0.058 1.135 18154 41 1 7 "Average Difference" CB 127 1.401 0.010 1.407 18154 42 1 7 "Average Difference" HN 125 0.531 -0.063 0.530 18154 43 1 8 "Average Difference" N 119 2.655 -0.148 2.662 18154 44 1 8 "Average Difference" HA 154 0.370 -0.020 0.370 18154 45 1 8 "Average Difference" C 132 1.098 0.149 1.092 18154 46 1 8 "Average Difference" CA 141 1.035 -0.031 1.038 18154 47 1 8 "Average Difference" CB 127 1.384 -0.014 1.390 18154 48 1 8 "Average Difference" HN 125 0.541 -0.068 0.538 18154 49 1 9 "Average Difference" N 119 2.867 -0.025 2.880 18154 50 1 9 "Average Difference" HA 154 0.401 -0.024 0.401 18154 51 1 9 "Average Difference" C 132 1.092 0.151 1.085 18154 52 1 9 "Average Difference" CA 141 1.177 0.007 1.181 18154 53 1 9 "Average Difference" CB 127 1.325 -0.053 1.329 18154 54 1 9 "Average Difference" HN 125 0.529 -0.033 0.530 18154 55 1 10 "Average Difference" N 119 2.773 -0.089 2.783 18154 56 1 10 "Average Difference" HA 154 0.422 -0.029 0.422 18154 57 1 10 "Average Difference" C 132 1.082 0.115 1.080 18154 58 1 10 "Average Difference" CA 141 1.116 -0.051 1.119 18154 59 1 10 "Average Difference" CB 127 1.343 0.010 1.348 18154 60 1 10 "Average Difference" HN 125 0.544 -0.078 0.541 18154 61 1 11 "Average Difference" N 119 2.754 -0.159 2.761 18154 62 1 11 "Average Difference" HA 154 0.419 -0.007 0.420 18154 63 1 11 "Average Difference" C 132 1.098 0.123 1.095 18154 64 1 11 "Average Difference" CA 141 1.109 -0.080 1.110 18154 65 1 11 "Average Difference" CB 127 1.407 0.062 1.411 18154 66 1 11 "Average Difference" HN 125 0.544 -0.064 0.542 18154 67 1 12 "Average Difference" N 119 2.604 -0.122 2.612 18154 68 1 12 "Average Difference" HA 154 0.371 -0.015 0.372 18154 69 1 12 "Average Difference" C 132 1.113 0.127 1.110 18154 70 1 12 "Average Difference" CA 141 1.113 -0.070 1.115 18154 71 1 12 "Average Difference" CB 127 1.302 -0.057 1.305 18154 72 1 12 "Average Difference" HN 125 0.543 -0.038 0.544 18154 73 1 13 "Average Difference" N 119 2.804 -0.071 2.815 18154 74 1 13 "Average Difference" HA 154 0.384 -0.036 0.384 18154 75 1 13 "Average Difference" C 132 1.090 0.126 1.087 18154 76 1 13 "Average Difference" CA 141 1.190 -0.048 1.193 18154 77 1 13 "Average Difference" CB 127 1.407 -0.048 1.412 18154 78 1 13 "Average Difference" HN 125 0.566 -0.072 0.564 18154 79 1 14 "Average Difference" N 119 2.709 -0.186 2.714 18154 80 1 14 "Average Difference" HA 154 0.370 -0.023 0.371 18154 81 1 14 "Average Difference" C 132 1.040 0.152 1.033 18154 82 1 14 "Average Difference" CA 141 0.956 -0.008 0.959 18154 83 1 14 "Average Difference" CB 127 1.295 -0.060 1.299 18154 84 1 14 "Average Difference" HN 125 0.549 -0.051 0.549 18154 85 1 15 "Average Difference" N 119 2.656 -0.217 2.658 18154 86 1 15 "Average Difference" HA 154 0.378 -0.019 0.379 18154 87 1 15 "Average Difference" C 132 1.060 0.138 1.055 18154 88 1 15 "Average Difference" CA 141 1.085 -0.071 1.087 18154 89 1 15 "Average Difference" CB 127 1.353 -0.024 1.358 18154 90 1 15 "Average Difference" HN 125 0.542 -0.045 0.543 18154 91 1 16 "Average Difference" N 119 2.681 -0.002 2.692 18154 92 1 16 "Average Difference" HA 154 0.363 -0.012 0.364 18154 93 1 16 "Average Difference" C 132 1.075 0.089 1.075 18154 94 1 16 "Average Difference" CA 141 1.062 -0.059 1.064 18154 95 1 16 "Average Difference" CB 127 1.357 0.068 1.361 18154 96 1 16 "Average Difference" HN 125 0.539 -0.054 0.538 18154 97 1 17 "Average Difference" N 119 2.835 -0.036 2.847 18154 98 1 17 "Average Difference" HA 154 0.414 -0.030 0.414 18154 99 1 17 "Average Difference" C 132 1.096 0.125 1.093 18154 100 1 17 "Average Difference" CA 141 1.060 -0.080 1.060 18154 101 1 17 "Average Difference" CB 127 1.307 -0.020 1.312 18154 102 1 17 "Average Difference" HN 125 0.549 -0.059 0.548 18154 103 1 18 "Average Difference" N 119 2.744 -0.194 2.749 18154 104 1 18 "Average Difference" HA 154 0.376 -0.019 0.376 18154 105 1 18 "Average Difference" C 132 1.081 0.146 1.075 18154 106 1 18 "Average Difference" CA 141 1.156 -0.062 1.159 18154 107 1 18 "Average Difference" CB 127 1.372 -0.016 1.377 18154 108 1 18 "Average Difference" HN 125 0.549 -0.073 0.547 18154 109 1 19 "Average Difference" N 119 2.864 -0.039 2.875 18154 110 1 19 "Average Difference" HA 154 0.363 -0.027 0.363 18154 111 1 19 "Average Difference" C 132 1.081 0.169 1.072 18154 112 1 19 "Average Difference" CA 141 1.076 -0.043 1.079 18154 113 1 19 "Average Difference" CB 127 1.308 -0.015 1.313 18154 114 1 19 "Average Difference" HN 125 0.551 -0.052 0.550 18154 115 1 20 "Average Difference" N 119 2.668 -0.188 2.673 18154 116 1 20 "Average Difference" HA 154 0.379 -0.029 0.379 18154 117 1 20 "Average Difference" C 132 1.070 0.123 1.067 18154 118 1 20 "Average Difference" CA 141 1.085 -0.021 1.089 18154 119 1 20 "Average Difference" CB 127 1.373 -0.016 1.379 18154 120 1 20 "Average Difference" HN 125 0.533 -0.053 0.533 18154 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 18154 _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 4.663 -0.434 18154 2 1 . 1 1 2 2 ALA C C 2 173.315 173.315 175.848 -2.533 18154 3 1 . 1 1 2 2 ALA CA C 2 51.580 51.580 51.692 -0.112 18154 4 1 . 1 1 2 2 ALA CB C 2 20.223 20.223 20.330 -0.107 18154 5 1 . 1 1 3 3 GLU N N 3 121.874 121.874 120.580 1.294 18154 6 1 . 1 1 3 3 GLU HA H 3 5.274 5.274 5.528 -0.254 18154 7 1 . 1 1 3 3 GLU C C 3 174.545 174.545 175.469 -0.924 18154 8 1 . 1 1 3 3 GLU CA C 3 55.850 55.850 55.352 0.498 18154 9 1 . 1 1 3 3 GLU CB C 3 31.720 31.720 32.288 -0.568 18154 10 1 . 1 1 3 3 GLU H H 3 8.696 8.696 8.723 -0.027 18154 11 1 . 1 1 4 4 ILE N N 4 120.672 120.672 125.235 -4.563 18154 12 1 . 1 1 4 4 ILE HA H 4 5.109 5.109 4.741 0.368 18154 13 1 . 1 1 4 4 ILE C C 4 175.463 175.463 174.786 0.677 18154 14 1 . 1 1 4 4 ILE CA C 4 59.833 59.833 60.087 -0.254 18154 15 1 . 1 1 4 4 ILE CB C 4 43.670 43.670 40.767 2.903 18154 16 1 . 1 1 4 4 ILE H H 4 8.860 8.860 9.248 -0.388 18154 17 1 . 1 1 5 5 GLY N N 5 119.310 119.310 114.410 4.900 18154 18 1 . 1 1 5 5 GLY C C 5 171.260 171.260 172.755 -1.495 18154 19 1 . 1 1 5 5 GLY CA C 5 43.820 43.820 43.232 0.588 18154 20 1 . 1 1 5 5 GLY H H 5 8.469 8.469 8.047 0.422 18154 21 1 . 1 1 6 6 ILE N N 6 126.915 126.915 125.837 1.078 18154 22 1 . 1 1 6 6 ILE HA H 6 5.190 5.190 4.939 0.251 18154 23 1 . 1 1 6 6 ILE C C 6 173.901 173.901 174.411 -0.511 18154 24 1 . 1 1 6 6 ILE CA C 6 60.000 60.000 60.617 -0.617 18154 25 1 . 1 1 6 6 ILE CB C 6 38.000 38.000 39.691 -1.691 18154 26 1 . 1 1 6 6 ILE H H 6 9.056 9.056 9.106 -0.050 18154 27 1 . 1 1 7 7 PHE N N 7 127.354 127.354 127.398 -0.044 18154 28 1 . 1 1 7 7 PHE HA H 7 4.512 4.512 5.076 -0.564 18154 29 1 . 1 1 7 7 PHE C C 7 174.230 174.230 174.691 -0.461 18154 30 1 . 1 1 7 7 PHE CA C 7 58.410 58.410 56.557 1.853 18154 31 1 . 1 1 7 7 PHE CB C 7 41.728 41.728 40.541 1.187 18154 32 1 . 1 1 7 7 PHE H H 7 8.960 8.960 9.408 -0.448 18154 33 1 . 1 1 8 8 VAL HA H 8 5.060 5.060 4.952 0.108 18154 34 1 . 1 1 8 8 VAL C C 8 175.450 175.450 175.813 -0.363 18154 35 1 . 1 1 8 8 VAL CA C 8 61.200 61.200 60.186 1.014 18154 36 1 . 1 1 8 8 VAL CB C 8 34.437 34.437 34.100 0.337 18154 37 1 . 1 1 9 9 GLY N N 9 115.000 115.000 116.802 -1.802 18154 38 1 . 1 1 9 9 GLY C C 9 173.150 173.150 173.064 0.086 18154 39 1 . 1 1 9 9 GLY CA C 9 45.000 45.000 44.894 0.105 18154 40 1 . 1 1 9 9 GLY H H 9 9.393 9.393 8.876 0.517 18154 41 1 . 1 1 12 12 TYR HA H 12 4.695 4.695 4.374 0.321 18154 42 1 . 1 1 12 12 TYR C C 12 176.560 176.560 176.301 0.259 18154 43 1 . 1 1 12 12 TYR CA C 12 57.750 57.750 58.947 -1.197 18154 44 1 . 1 1 12 12 TYR CB C 12 38.000 38.000 38.210 -0.210 18154 45 1 . 1 1 13 13 GLY N N 13 109.870 109.870 110.210 -0.340 18154 46 1 . 1 1 13 13 GLY C C 13 175.930 175.930 174.216 1.714 18154 47 1 . 1 1 13 13 GLY CA C 13 46.000 46.000 44.954 1.046 18154 48 1 . 1 1 13 13 GLY H H 13 8.500 8.500 8.076 0.424 18154 49 1 . 1 1 17 17 LEU HA H 17 4.230 4.230 4.205 0.025 18154 50 1 . 1 1 17 17 LEU C C 17 179.210 179.210 177.812 1.398 18154 51 1 . 1 1 17 17 LEU CA C 17 58.400 58.400 57.368 1.032 18154 52 1 . 1 1 17 17 LEU CB C 17 41.300 41.300 41.794 -0.494 18154 53 1 . 1 1 18 18 VAL N N 18 117.231 117.231 118.665 -1.434 18154 54 1 . 1 1 18 18 VAL HA H 18 3.323 3.323 3.604 -0.281 18154 55 1 . 1 1 18 18 VAL C C 18 178.460 178.460 177.739 0.721 18154 56 1 . 1 1 18 18 VAL CA C 18 66.866 66.866 66.015 0.851 18154 57 1 . 1 1 18 18 VAL CB C 18 31.460 31.460 30.889 0.571 18154 58 1 . 1 1 18 18 VAL H H 18 7.645 7.645 7.973 -0.328 18154 59 1 . 1 1 19 19 ALA N N 19 121.820 121.820 121.623 0.197 18154 60 1 . 1 1 19 19 ALA HA H 19 3.816 3.816 3.956 -0.140 18154 61 1 . 1 1 19 19 ALA C C 19 178.180 178.180 179.453 -1.273 18154 62 1 . 1 1 19 19 ALA CA C 19 55.576 55.576 55.519 0.057 18154 63 1 . 1 1 19 19 ALA CB C 19 20.000 20.000 18.068 1.932 18154 64 1 . 1 1 19 19 ALA H H 19 8.010 8.010 8.198 -0.188 18154 65 1 . 1 1 20 20 GLU N N 20 118.960 118.960 118.366 0.594 18154 66 1 . 1 1 20 20 GLU HA H 20 4.016 4.016 4.003 0.013 18154 67 1 . 1 1 20 20 GLU C C 20 180.950 180.950 179.309 1.641 18154 68 1 . 1 1 20 20 GLU CA C 20 59.666 59.666 59.158 0.509 18154 69 1 . 1 1 20 20 GLU CB C 20 29.300 29.300 29.283 0.017 18154 70 1 . 1 1 20 20 GLU H H 20 8.700 8.700 7.951 0.749 18154 71 1 . 1 1 21 21 GLU N N 21 121.371 121.371 119.614 1.757 18154 72 1 . 1 1 21 21 GLU HA H 21 4.044 4.044 4.081 -0.037 18154 73 1 . 1 1 21 21 GLU C C 21 179.419 179.419 178.804 0.615 18154 74 1 . 1 1 21 21 GLU CA C 21 59.310 59.310 59.160 0.150 18154 75 1 . 1 1 21 21 GLU CB C 21 29.561 29.561 29.289 0.272 18154 76 1 . 1 1 21 21 GLU H H 21 8.632 8.632 7.947 0.685 18154 77 1 . 1 1 22 22 ALA N N 22 121.329 121.329 122.866 -1.537 18154 78 1 . 1 1 22 22 ALA HA H 22 4.058 4.058 4.064 -0.006 18154 79 1 . 1 1 22 22 ALA C C 22 178.823 178.823 179.378 -0.555 18154 80 1 . 1 1 22 22 ALA CA C 22 54.677 54.677 55.663 -0.986 18154 81 1 . 1 1 22 22 ALA CB C 22 17.643 17.643 18.093 -0.450 18154 82 1 . 1 1 22 22 ALA H H 22 8.182 8.182 8.609 -0.427 18154 83 1 . 1 1 23 23 GLU N N 23 119.035 119.035 119.481 -0.446 18154 84 1 . 1 1 23 23 GLU HA H 23 3.404 3.404 4.022 -0.618 18154 85 1 . 1 1 23 23 GLU C C 23 178.375 178.375 178.572 -0.197 18154 86 1 . 1 1 23 23 GLU CA C 23 60.308 60.308 59.698 0.610 18154 87 1 . 1 1 23 23 GLU CB C 23 28.930 28.930 29.546 -0.616 18154 88 1 . 1 1 23 23 GLU H H 23 8.387 8.387 8.320 0.066 18154 89 1 . 1 1 24 24 ALA N N 24 122.207 122.207 122.274 -0.067 18154 90 1 . 1 1 24 24 ALA HA H 24 4.030 4.030 4.097 -0.067 18154 91 1 . 1 1 24 24 ALA C C 24 181.132 181.132 179.940 1.192 18154 92 1 . 1 1 24 24 ALA CA C 24 55.487 55.487 55.084 0.402 18154 93 1 . 1 1 24 24 ALA CB C 24 18.000 18.000 18.597 -0.597 18154 94 1 . 1 1 24 24 ALA H H 24 7.535 7.535 7.907 -0.372 18154 95 1 . 1 1 25 25 ILE N N 25 121.059 121.059 120.004 1.055 18154 96 1 . 1 1 25 25 ILE HA H 25 3.664 3.664 3.705 -0.041 18154 97 1 . 1 1 25 25 ILE C C 25 178.419 178.419 177.894 0.525 18154 98 1 . 1 1 25 25 ILE CA C 25 65.108 65.108 66.034 -0.926 18154 99 1 . 1 1 25 25 ILE CB C 25 38.963 38.963 38.138 0.825 18154 100 1 . 1 1 25 25 ILE H H 25 7.800 7.800 8.559 -0.759 18154 101 1 . 1 1 26 26 LEU N N 26 119.307 119.307 120.594 -1.287 18154 102 1 . 1 1 26 26 LEU HA H 26 4.176 4.176 4.141 0.035 18154 103 1 . 1 1 26 26 LEU C C 26 179.863 179.863 179.684 0.179 18154 104 1 . 1 1 26 26 LEU CA C 26 57.946 57.946 58.314 -0.368 18154 105 1 . 1 1 26 26 LEU CB C 26 41.140 41.140 41.306 -0.166 18154 106 1 . 1 1 26 26 LEU H H 26 8.509 8.509 8.509 -0.000 18154 107 1 . 1 1 27 27 THR N N 27 117.830 117.830 115.917 1.913 18154 108 1 . 1 1 27 27 THR HA H 27 4.524 4.524 4.354 0.170 18154 109 1 . 1 1 27 27 THR C C 27 179.027 179.027 176.348 2.679 18154 110 1 . 1 1 27 27 THR CA C 27 66.000 66.000 66.546 -0.546 18154 111 1 . 1 1 27 27 THR CB C 27 68.600 68.600 68.619 -0.019 18154 112 1 . 1 1 27 27 THR H H 27 8.796 8.796 8.570 0.226 18154 113 1 . 1 1 28 28 ALA N N 28 126.313 126.313 122.640 3.673 18154 114 1 . 1 1 28 28 ALA HA H 28 4.205 4.205 4.157 0.048 18154 115 1 . 1 1 28 28 ALA C C 28 179.360 179.360 179.498 -0.138 18154 116 1 . 1 1 28 28 ALA CA C 28 55.000 55.000 54.298 0.702 18154 117 1 . 1 1 28 28 ALA CB C 28 17.650 17.650 18.227 -0.577 18154 118 1 . 1 1 28 28 ALA H H 28 7.832 7.832 7.861 -0.029 18154 119 1 . 1 1 29 29 GLN N N 29 115.527 115.527 116.649 -1.122 18154 120 1 . 1 1 29 29 GLN HA H 29 4.127 4.127 4.113 0.014 18154 121 1 . 1 1 29 29 GLN C C 29 176.547 176.547 176.992 -0.445 18154 122 1 . 1 1 29 29 GLN CA C 29 56.563 56.563 57.060 -0.497 18154 123 1 . 1 1 29 29 GLN CB C 29 29.410 29.410 29.608 -0.198 18154 124 1 . 1 1 29 29 GLN H H 29 7.353 7.353 8.207 -0.854 18154 125 1 . 1 1 30 30 GLY N N 30 105.961 105.961 104.911 1.050 18154 126 1 . 1 1 30 30 GLY C C 30 174.785 174.785 173.854 0.931 18154 127 1 . 1 1 30 30 GLY CA C 30 44.500 44.500 44.575 -0.075 18154 128 1 . 1 1 30 30 GLY H H 30 7.923 7.923 7.658 0.265 18154 129 1 . 1 1 31 31 HIS N N 31 119.471 119.471 118.364 1.107 18154 130 1 . 1 1 31 31 HIS HA H 31 4.835 4.835 4.741 0.094 18154 131 1 . 1 1 31 31 HIS C C 31 174.665 174.665 173.992 0.673 18154 132 1 . 1 1 31 31 HIS CA C 31 55.842 55.842 55.195 0.647 18154 133 1 . 1 1 31 31 HIS CB C 31 32.000 32.000 31.703 0.297 18154 134 1 . 1 1 31 31 HIS H H 31 7.558 7.558 8.108 -0.550 18154 135 1 . 1 1 32 32 LYS N N 32 121.854 121.854 121.134 0.720 18154 136 1 . 1 1 32 32 LYS HA H 32 4.723 4.723 4.558 0.165 18154 137 1 . 1 1 32 32 LYS C C 32 174.466 174.466 174.465 0.001 18154 138 1 . 1 1 32 32 LYS CA C 32 54.865 54.865 54.691 0.174 18154 139 1 . 1 1 32 32 LYS CB C 32 32.960 32.960 32.534 0.426 18154 140 1 . 1 1 32 32 LYS H H 32 8.665 8.665 8.778 -0.113 18154 141 1 . 1 1 33 33 ALA N N 33 130.188 130.188 129.532 0.656 18154 142 1 . 1 1 33 33 ALA HA H 33 5.818 5.818 5.628 0.191 18154 143 1 . 1 1 33 33 ALA C C 33 175.567 175.567 176.370 -0.803 18154 144 1 . 1 1 33 33 ALA CA C 33 49.976 49.976 50.602 -0.626 18154 145 1 . 1 1 33 33 ALA CB C 33 22.297 22.297 21.768 0.529 18154 146 1 . 1 1 33 33 ALA H H 33 8.837 8.837 8.036 0.801 18154 147 1 . 1 1 34 34 THR N N 34 117.164 117.164 116.712 0.452 18154 148 1 . 1 1 34 34 THR HA H 34 4.359 4.359 4.636 -0.277 18154 149 1 . 1 1 34 34 THR C C 34 171.315 171.315 172.943 -1.628 18154 150 1 . 1 1 34 34 THR CA C 34 61.840 61.840 61.034 0.806 18154 151 1 . 1 1 34 34 THR CB C 34 71.800 71.800 72.254 -0.454 18154 152 1 . 1 1 34 34 THR H H 34 7.826 7.826 8.766 -0.940 18154 153 1 . 1 1 35 35 VAL N N 35 126.650 126.650 123.591 3.059 18154 154 1 . 1 1 35 35 VAL HA H 35 4.183 4.183 4.464 -0.281 18154 155 1 . 1 1 35 35 VAL C C 35 174.675 174.675 174.948 -0.273 18154 156 1 . 1 1 35 35 VAL CA C 35 61.928 61.928 61.453 0.475 18154 157 1 . 1 1 35 35 VAL CB C 35 32.650 32.650 32.828 -0.178 18154 158 1 . 1 1 35 35 VAL H H 35 8.496 8.496 8.434 0.062 18154 159 1 . 1 1 36 36 PHE N N 36 127.630 127.630 126.662 0.968 18154 160 1 . 1 1 36 36 PHE HA H 36 4.551 4.551 4.709 -0.158 18154 161 1 . 1 1 36 36 PHE C C 36 174.347 174.347 174.444 -0.097 18154 162 1 . 1 1 36 36 PHE CA C 36 57.482 57.482 56.585 0.897 18154 163 1 . 1 1 36 36 PHE CB C 36 40.165 40.165 40.907 -0.742 18154 164 1 . 1 1 36 36 PHE H H 36 9.164 9.164 9.150 0.014 18154 165 1 . 1 1 37 37 GLU N N 37 123.516 123.516 123.541 -0.025 18154 166 1 . 1 1 37 37 GLU HA H 37 4.470 4.470 4.462 0.008 18154 167 1 . 1 1 37 37 GLU C C 37 175.954 175.954 176.007 -0.053 18154 168 1 . 1 1 37 37 GLU CA C 37 55.719 55.719 56.065 -0.346 18154 169 1 . 1 1 37 37 GLU CB C 37 31.460 31.460 31.292 0.168 18154 170 1 . 1 1 37 37 GLU H H 37 8.455 8.455 8.602 -0.147 18154 171 1 . 1 1 38 38 ASP N N 38 120.395 120.395 121.548 -1.153 18154 172 1 . 1 1 38 38 ASP HA H 38 4.833 4.833 4.468 0.365 18154 173 1 . 1 1 38 38 ASP C C 38 173.920 173.920 174.480 -0.560 18154 174 1 . 1 1 38 38 ASP CA C 38 54.477 54.477 53.989 0.488 18154 175 1 . 1 1 38 38 ASP CB C 38 40.604 40.604 40.554 0.050 18154 176 1 . 1 1 38 38 ASP H H 38 9.602 9.602 8.602 1.000 18154 177 1 . 1 1 39 39 PRO HA H 39 4.680 4.680 4.568 0.112 18154 178 1 . 1 1 39 39 PRO C C 39 176.274 176.274 176.404 -0.130 18154 179 1 . 1 1 39 39 PRO CA C 39 62.984 62.984 63.501 -0.517 18154 180 1 . 1 1 39 39 PRO CB C 39 34.400 34.400 32.925 1.475 18154 181 1 . 1 1 40 40 GLU N N 40 119.026 119.026 122.240 -3.214 18154 182 1 . 1 1 40 40 GLU HA H 40 4.728 4.728 4.510 0.218 18154 183 1 . 1 1 40 40 GLU C C 40 177.827 177.827 178.002 -0.175 18154 184 1 . 1 1 40 40 GLU CA C 40 53.970 53.970 55.004 -1.034 18154 185 1 . 1 1 40 40 GLU CB C 40 33.400 33.400 31.163 2.237 18154 186 1 . 1 1 40 40 GLU H H 40 9.178 9.178 8.711 0.467 18154 187 1 . 1 1 41 41 LEU N N 41 123.708 123.708 124.818 -1.110 18154 188 1 . 1 1 41 41 LEU HA H 41 3.894 3.894 4.217 -0.323 18154 189 1 . 1 1 41 41 LEU C C 41 178.730 178.730 177.834 0.896 18154 190 1 . 1 1 41 41 LEU CA C 41 58.407 58.407 57.570 0.837 18154 191 1 . 1 1 41 41 LEU CB C 41 41.653 41.653 41.722 -0.069 18154 192 1 . 1 1 41 41 LEU H H 41 9.160 9.160 8.769 0.391 18154 193 1 . 1 1 42 42 SER N N 42 110.500 110.500 114.438 -3.938 18154 194 1 . 1 1 42 42 SER HA H 42 4.010 4.010 4.286 -0.276 18154 195 1 . 1 1 42 42 SER C C 42 176.300 176.300 175.087 1.213 18154 196 1 . 1 1 42 42 SER CA C 42 61.600 61.600 60.793 0.807 18154 197 1 . 1 1 42 42 SER CB C 42 62.140 62.140 62.819 -0.679 18154 198 1 . 1 1 42 42 SER H H 42 8.415 8.415 8.489 -0.074 18154 199 1 . 1 1 43 43 ASP N N 43 119.770 119.770 120.595 -0.825 18154 200 1 . 1 1 43 43 ASP HA H 43 4.457 4.457 4.723 -0.265 18154 201 1 . 1 1 43 43 ASP C C 43 176.150 176.150 176.201 -0.051 18154 202 1 . 1 1 43 43 ASP CA C 43 56.750 56.750 55.470 1.280 18154 203 1 . 1 1 43 43 ASP CB C 43 42.700 42.700 41.072 1.628 18154 204 1 . 1 1 43 43 ASP H H 43 7.690 7.690 7.951 -0.261 18154 205 1 . 1 1 44 44 TRP N N 44 118.500 118.500 121.297 -2.797 18154 206 1 . 1 1 44 44 TRP HA H 44 4.210 4.210 4.402 -0.192 18154 207 1 . 1 1 44 44 TRP C C 44 177.150 177.150 177.529 -0.379 18154 208 1 . 1 1 44 44 TRP CA C 44 59.387 59.387 58.950 0.436 18154 209 1 . 1 1 44 44 TRP CB C 44 30.310 30.310 30.059 0.251 18154 210 1 . 1 1 44 44 TRP H H 44 7.464 7.464 7.372 0.092 18154 211 1 . 1 1 45 45 LEU N N 45 114.100 114.100 121.128 -7.028 18154 212 1 . 1 1 45 45 LEU HA H 45 4.175 4.175 4.051 0.124 18154 213 1 . 1 1 45 45 LEU C C 45 176.300 176.300 175.775 0.525 18154 214 1 . 1 1 45 45 LEU CA C 45 59.560 59.560 60.326 -0.766 18154 215 1 . 1 1 45 45 LEU CB C 45 39.220 39.220 39.429 -0.209 18154 216 1 . 1 1 45 45 LEU H H 45 7.550 7.550 8.531 -0.981 18154 217 1 . 1 1 46 46 PRO HA H 46 4.380 4.380 4.219 0.161 18154 218 1 . 1 1 46 46 PRO C C 46 176.799 176.799 177.350 -0.551 18154 219 1 . 1 1 46 46 PRO CA C 46 65.287 65.287 64.602 0.685 18154 220 1 . 1 1 46 46 PRO CB C 46 31.600 31.600 31.100 0.500 18154 221 1 . 1 1 47 47 TYR N N 47 113.790 113.790 116.613 -2.823 18154 222 1 . 1 1 47 47 TYR HA H 47 4.120 4.120 4.598 -0.478 18154 223 1 . 1 1 47 47 TYR C C 47 175.730 175.730 177.846 -2.116 18154 224 1 . 1 1 47 47 TYR CA C 47 59.200 59.200 57.492 1.708 18154 225 1 . 1 1 47 47 TYR CB C 47 38.016 38.016 37.394 0.622 18154 226 1 . 1 1 47 47 TYR H H 47 8.291 8.291 8.205 0.086 18154 227 1 . 1 1 48 48 GLN N N 48 116.524 116.524 120.302 -3.778 18154 228 1 . 1 1 48 48 GLN HA H 48 3.885 3.885 3.976 -0.091 18154 229 1 . 1 1 48 48 GLN C C 48 174.381 174.381 176.308 -1.927 18154 230 1 . 1 1 48 48 GLN CA C 48 59.826 59.826 59.541 0.285 18154 231 1 . 1 1 48 48 GLN CB C 48 31.000 31.000 28.885 2.115 18154 232 1 . 1 1 48 48 GLN H H 48 7.300 7.300 7.490 -0.191 18154 233 1 . 1 1 49 49 ASP N N 49 114.657 114.657 113.791 0.866 18154 234 1 . 1 1 49 49 ASP HA H 49 4.687 4.687 4.646 0.041 18154 235 1 . 1 1 49 49 ASP C C 49 176.307 176.307 175.785 0.522 18154 236 1 . 1 1 49 49 ASP CA C 49 51.735 51.735 53.808 -2.073 18154 237 1 . 1 1 49 49 ASP CB C 49 40.200 40.200 41.119 -0.919 18154 238 1 . 1 1 49 49 ASP H H 49 7.854 7.854 8.439 -0.586 18154 239 1 . 1 1 50 50 LYS N N 50 123.514 123.514 118.889 4.625 18154 240 1 . 1 1 50 50 LYS HA H 50 4.590 4.590 4.389 0.201 18154 241 1 . 1 1 50 50 LYS C C 50 172.964 172.964 175.323 -2.359 18154 242 1 . 1 1 50 50 LYS CA C 50 54.693 54.693 55.545 -0.852 18154 243 1 . 1 1 50 50 LYS CB C 50 33.355 33.355 34.835 -1.480 18154 244 1 . 1 1 50 50 LYS H H 50 7.833 7.833 7.356 0.477 18154 245 1 . 1 1 51 51 TYR N N 51 118.375 118.375 115.574 2.801 18154 246 1 . 1 1 51 51 TYR HA H 51 6.055 6.055 5.701 0.354 18154 247 1 . 1 1 51 51 TYR C C 51 175.875 175.875 175.961 -0.086 18154 248 1 . 1 1 51 51 TYR CA C 51 56.421 56.421 56.372 0.049 18154 249 1 . 1 1 51 51 TYR CB C 51 42.477 42.477 41.836 0.641 18154 250 1 . 1 1 51 51 TYR H H 51 7.745 7.745 8.375 -0.630 18154 251 1 . 1 1 52 52 VAL N N 52 112.527 112.527 115.656 -3.129 18154 252 1 . 1 1 52 52 VAL HA H 52 5.500 5.500 4.968 0.532 18154 253 1 . 1 1 52 52 VAL C C 52 173.910 173.910 174.067 -0.157 18154 254 1 . 1 1 52 52 VAL CA C 52 58.696 58.696 60.602 -1.906 18154 255 1 . 1 1 52 52 VAL CB C 52 36.492 36.492 35.302 1.190 18154 256 1 . 1 1 52 52 VAL H H 52 8.673 8.673 8.467 0.206 18154 257 1 . 1 1 53 53 LEU N N 53 124.294 124.294 124.806 -0.512 18154 258 1 . 1 1 53 53 LEU HA H 53 4.900 4.900 5.224 -0.324 18154 259 1 . 1 1 53 53 LEU C C 53 175.070 175.070 174.501 0.569 18154 260 1 . 1 1 53 53 LEU CA C 53 52.566 52.566 53.410 -0.844 18154 261 1 . 1 1 53 53 LEU CB C 53 45.230 45.230 46.486 -1.256 18154 262 1 . 1 1 53 53 LEU H H 53 9.137 9.137 9.122 0.015 18154 263 1 . 1 1 54 54 VAL N N 54 127.850 127.850 126.155 1.695 18154 264 1 . 1 1 54 54 VAL HA H 54 4.510 4.510 4.777 -0.267 18154 265 1 . 1 1 54 54 VAL C C 54 174.030 174.030 174.512 -0.482 18154 266 1 . 1 1 54 54 VAL CA C 54 61.825 61.825 60.734 1.091 18154 267 1 . 1 1 54 54 VAL CB C 54 32.691 32.691 33.121 -0.430 18154 268 1 . 1 1 54 54 VAL H H 54 8.619 8.619 8.797 -0.178 18154 269 1 . 1 1 55 55 VAL N N 55 127.181 127.181 127.576 -0.395 18154 270 1 . 1 1 55 55 VAL HA H 55 5.085 5.085 4.941 0.144 18154 271 1 . 1 1 55 55 VAL C C 55 174.942 174.942 174.630 0.312 18154 272 1 . 1 1 55 55 VAL CA C 55 60.069 60.069 60.766 -0.697 18154 273 1 . 1 1 55 55 VAL CB C 55 33.222 33.222 34.000 -0.778 18154 274 1 . 1 1 55 55 VAL H H 55 8.578 8.578 8.803 -0.225 18154 275 1 . 1 1 56 56 THR N N 56 117.420 117.420 121.606 -4.186 18154 276 1 . 1 1 56 56 THR HA H 56 5.590 5.590 4.842 0.748 18154 277 1 . 1 1 56 56 THR C C 56 172.640 172.640 172.925 -0.285 18154 278 1 . 1 1 56 56 THR CA C 56 59.359 59.359 61.000 -1.641 18154 279 1 . 1 1 56 56 THR CB C 56 70.715 70.715 70.505 0.210 18154 280 1 . 1 1 56 56 THR H H 56 8.710 8.710 8.762 -0.052 18154 281 1 . 1 1 57 57 SER HA H 57 5.250 5.250 4.992 0.258 18154 282 1 . 1 1 57 57 SER CA C 57 57.730 57.730 57.819 -0.089 18154 283 1 . 1 1 57 57 SER CB C 57 64.500 64.500 64.894 -0.394 18154 284 1 . 1 1 57 57 SER H H 57 8.075 8.075 8.575 -0.500 18154 285 1 . 1 1 58 58 THR H H 58 7.900 7.900 8.300 -0.400 18154 286 1 . 1 1 59 59 THR HA H 59 4.900 4.900 4.054 0.846 18154 287 1 . 1 1 59 59 THR CA C 59 61.200 61.200 65.059 -3.859 18154 288 1 . 1 1 59 59 THR CB C 59 73.400 73.400 69.015 4.385 18154 289 1 . 1 1 59 59 THR H H 59 9.230 9.230 7.884 1.346 18154 290 1 . 1 1 60 60 GLY CA C 60 46.500 46.500 45.080 1.420 18154 291 1 . 1 1 61 61 GLN HA H 61 4.406 4.406 4.135 0.271 18154 292 1 . 1 1 61 61 GLN C C 61 175.950 175.950 175.985 -0.035 18154 293 1 . 1 1 61 61 GLN CA C 61 55.350 55.350 56.305 -0.955 18154 294 1 . 1 1 61 61 GLN CB C 61 29.160 29.160 27.962 1.197 18154 295 1 . 1 1 62 62 GLY N N 62 108.420 108.420 106.238 2.182 18154 296 1 . 1 1 62 62 GLY C C 62 173.134 173.134 173.640 -0.506 18154 297 1 . 1 1 62 62 GLY CA C 62 45.784 45.784 44.939 0.845 18154 298 1 . 1 1 62 62 GLY H H 62 8.073 8.073 8.051 0.022 18154 299 1 . 1 1 63 63 ASP N N 63 118.400 118.400 119.952 -1.552 18154 300 1 . 1 1 63 63 ASP HA H 63 4.780 4.780 4.640 0.140 18154 301 1 . 1 1 63 63 ASP CA C 63 53.296 53.296 53.336 -0.040 18154 302 1 . 1 1 63 63 ASP CB C 63 42.740 42.740 42.272 0.468 18154 303 1 . 1 1 63 63 ASP H H 63 7.248 7.248 8.045 -0.797 18154 304 1 . 1 1 64 64 LEU HA H 64 4.400 4.400 4.369 0.031 18154 305 1 . 1 1 64 64 LEU CA C 64 53.150 53.150 52.460 0.690 18154 306 1 . 1 1 64 64 LEU CB C 64 41.687 41.687 42.543 -0.855 18154 307 1 . 1 1 64 64 LEU H H 64 8.445 8.445 7.954 0.491 18154 308 1 . 1 1 65 65 PRO HA H 65 4.293 4.293 4.428 -0.135 18154 309 1 . 1 1 65 65 PRO CA C 65 62.344 62.344 62.495 -0.151 18154 310 1 . 1 1 65 65 PRO CB C 65 32.480 32.480 32.622 -0.142 18154 311 1 . 1 1 66 66 ASP N N 66 121.200 121.200 121.550 -0.350 18154 312 1 . 1 1 66 66 ASP HA H 66 4.260 4.260 4.327 -0.067 18154 313 1 . 1 1 66 66 ASP CA C 66 57.630 57.630 56.440 1.190 18154 314 1 . 1 1 66 66 ASP CB C 66 40.800 40.800 40.785 0.015 18154 315 1 . 1 1 66 66 ASP H H 66 8.605 8.605 8.637 -0.032 18154 316 1 . 1 1 67 67 SER HA H 67 4.292 4.292 4.306 -0.014 18154 317 1 . 1 1 67 67 SER C C 67 175.650 175.650 175.093 0.557 18154 318 1 . 1 1 67 67 SER CA C 67 60.500 60.500 60.447 0.053 18154 319 1 . 1 1 67 67 SER CB C 67 63.530 63.530 63.631 -0.101 18154 320 1 . 1 1 68 68 ILE N N 68 120.550 120.550 120.593 -0.043 18154 321 1 . 1 1 68 68 ILE HA H 68 5.110 5.110 4.408 0.702 18154 322 1 . 1 1 68 68 ILE C C 68 174.713 174.713 176.518 -1.805 18154 323 1 . 1 1 68 68 ILE CA C 68 60.400 60.400 60.793 -0.393 18154 324 1 . 1 1 68 68 ILE CB C 68 43.240 43.240 39.309 3.931 18154 325 1 . 1 1 68 68 ILE H H 68 7.870 7.870 7.650 0.220 18154 326 1 . 1 1 69 69 VAL N N 69 125.740 125.740 123.395 2.345 18154 327 1 . 1 1 69 69 VAL HA H 69 3.745 3.745 3.699 0.046 18154 328 1 . 1 1 69 69 VAL C C 69 174.500 174.500 174.888 -0.388 18154 329 1 . 1 1 69 69 VAL CA C 69 68.550 68.550 69.437 -0.887 18154 330 1 . 1 1 69 69 VAL CB C 69 30.130 30.130 29.095 1.035 18154 331 1 . 1 1 69 69 VAL H H 69 7.428 7.428 8.253 -0.825 18154 332 1 . 1 1 70 70 PRO HA H 70 4.292 4.292 4.327 -0.035 18154 333 1 . 1 1 70 70 PRO C C 70 180.820 180.820 178.780 2.040 18154 334 1 . 1 1 70 70 PRO CA C 70 66.470 66.470 66.070 0.400 18154 335 1 . 1 1 70 70 PRO CB C 70 30.657 30.657 31.226 -0.569 18154 336 1 . 1 1 71 71 LEU N N 71 119.467 119.467 120.086 -0.619 18154 337 1 . 1 1 71 71 LEU HA H 71 3.845 3.845 4.027 -0.182 18154 338 1 . 1 1 71 71 LEU C C 71 176.489 176.489 178.312 -1.823 18154 339 1 . 1 1 71 71 LEU CA C 71 58.207 58.207 57.894 0.313 18154 340 1 . 1 1 71 71 LEU CB C 71 41.486 41.486 41.750 -0.264 18154 341 1 . 1 1 71 71 LEU H H 71 7.918 7.918 7.576 0.342 18154 342 1 . 1 1 72 72 PHE N N 72 119.361 119.361 119.640 -0.279 18154 343 1 . 1 1 72 72 PHE HA H 72 3.145 3.145 3.345 -0.200 18154 344 1 . 1 1 72 72 PHE C C 72 175.968 175.968 177.062 -1.094 18154 345 1 . 1 1 72 72 PHE CA C 72 61.821 61.821 61.790 0.031 18154 346 1 . 1 1 72 72 PHE CB C 72 39.547 39.547 38.674 0.873 18154 347 1 . 1 1 72 72 PHE H H 72 7.903 7.903 8.782 -0.879 18154 348 1 . 1 1 73 73 GLN N N 73 116.100 116.100 116.868 -0.768 18154 349 1 . 1 1 73 73 GLN HA H 73 3.527 3.527 3.769 -0.242 18154 350 1 . 1 1 73 73 GLN C C 73 177.871 177.871 178.593 -0.722 18154 351 1 . 1 1 73 73 GLN CA C 73 58.140 58.140 58.859 -0.719 18154 352 1 . 1 1 73 73 GLN CB C 73 28.147 28.147 28.322 -0.175 18154 353 1 . 1 1 73 73 GLN H H 73 9.042 9.042 8.594 0.448 18154 354 1 . 1 1 74 74 GLY N N 74 107.110 107.110 108.497 -1.388 18154 355 1 . 1 1 74 74 GLY C C 74 175.894 175.894 176.264 -0.370 18154 356 1 . 1 1 74 74 GLY CA C 74 47.280 47.280 46.933 0.347 18154 357 1 . 1 1 74 74 GLY H H 74 8.045 8.045 8.174 -0.129 18154 358 1 . 1 1 75 75 ILE N N 75 123.629 123.629 122.770 0.859 18154 359 1 . 1 1 75 75 ILE HA H 75 3.050 3.050 3.349 -0.299 18154 360 1 . 1 1 75 75 ILE C C 75 178.622 178.622 177.147 1.475 18154 361 1 . 1 1 75 75 ILE CA C 75 65.257 65.257 64.880 0.378 18154 362 1 . 1 1 75 75 ILE CB C 75 37.968 37.968 37.427 0.541 18154 363 1 . 1 1 75 75 ILE H H 75 8.174 8.174 8.101 0.073 18154 364 1 . 1 1 76 76 LYS N N 76 119.363 119.363 118.619 0.744 18154 365 1 . 1 1 76 76 LYS HA H 76 3.305 3.305 3.754 -0.449 18154 366 1 . 1 1 76 76 LYS C C 76 177.909 177.909 178.251 -0.342 18154 367 1 . 1 1 76 76 LYS CA C 76 59.705 59.705 59.283 0.423 18154 368 1 . 1 1 76 76 LYS CB C 76 32.350 32.350 31.891 0.459 18154 369 1 . 1 1 76 76 LYS H H 76 7.600 7.600 7.434 0.166 18154 370 1 . 1 1 77 77 ASP N N 77 115.190 115.190 118.146 -2.956 18154 371 1 . 1 1 77 77 ASP HA H 77 4.482 4.482 4.560 -0.078 18154 372 1 . 1 1 77 77 ASP C C 77 178.825 178.825 178.246 0.579 18154 373 1 . 1 1 77 77 ASP CA C 77 56.280 56.280 56.141 0.139 18154 374 1 . 1 1 77 77 ASP CB C 77 41.190 41.190 41.766 -0.576 18154 375 1 . 1 1 77 77 ASP H H 77 8.482 8.482 8.285 0.197 18154 376 1 . 1 1 78 78 SER N N 78 112.576 112.576 116.005 -3.429 18154 377 1 . 1 1 78 78 SER HA H 78 4.728 4.728 4.386 0.342 18154 378 1 . 1 1 78 78 SER C C 78 174.556 174.556 174.981 -0.425 18154 379 1 . 1 1 78 78 SER CA C 78 60.045 60.045 60.276 -0.231 18154 380 1 . 1 1 78 78 SER CB C 78 64.643 64.643 63.941 0.701 18154 381 1 . 1 1 78 78 SER H H 78 8.273 8.273 7.983 0.290 18154 382 1 . 1 1 79 79 LEU N N 79 120.833 120.833 121.025 -0.192 18154 383 1 . 1 1 79 79 LEU HA H 79 4.815 4.815 4.409 0.406 18154 384 1 . 1 1 79 79 LEU C C 79 176.251 176.251 178.750 -2.499 18154 385 1 . 1 1 79 79 LEU CA C 79 53.960 53.960 56.320 -2.360 18154 386 1 . 1 1 79 79 LEU CB C 79 39.196 39.196 42.232 -3.036 18154 387 1 . 1 1 79 79 LEU H H 79 7.025 7.025 7.579 -0.554 18154 388 1 . 1 1 80 80 GLY N N 80 108.861 108.861 106.945 1.916 18154 389 1 . 1 1 80 80 GLY C C 80 173.623 173.623 173.629 -0.006 18154 390 1 . 1 1 80 80 GLY CA C 80 46.229 46.229 46.387 -0.158 18154 391 1 . 1 1 80 80 GLY H H 80 7.499 7.499 8.166 -0.667 18154 392 1 . 1 1 81 81 PHE N N 81 121.441 121.441 119.546 1.895 18154 393 1 . 1 1 81 81 PHE HA H 81 5.060 5.060 4.799 0.261 18154 394 1 . 1 1 81 81 PHE C C 81 174.411 174.411 172.488 1.923 18154 395 1 . 1 1 81 81 PHE CA C 81 57.211 57.211 56.952 0.259 18154 396 1 . 1 1 81 81 PHE CB C 81 40.620 40.620 41.944 -1.324 18154 397 1 . 1 1 81 81 PHE H H 81 8.018 8.018 7.426 0.592 18154 398 1 . 1 1 82 82 GLN N N 82 126.480 126.480 122.297 4.183 18154 399 1 . 1 1 82 82 GLN HA H 82 4.890 4.890 4.673 0.217 18154 400 1 . 1 1 82 82 GLN C C 82 172.700 172.700 173.614 -0.914 18154 401 1 . 1 1 82 82 GLN CA C 82 54.177 54.177 52.113 2.064 18154 402 1 . 1 1 82 82 GLN CB C 82 32.600 32.600 30.514 2.086 18154 403 1 . 1 1 82 82 GLN H H 82 9.588 9.588 7.542 2.046 18154 404 1 . 1 1 83 83 PRO HA H 83 4.373 4.373 4.215 0.158 18154 405 1 . 1 1 83 83 PRO C C 83 178.163 178.163 176.632 1.531 18154 406 1 . 1 1 83 83 PRO CA C 83 63.691 63.691 64.427 -0.736 18154 407 1 . 1 1 83 83 PRO CB C 83 31.865 31.865 32.522 -0.657 18154 408 1 . 1 1 84 84 ASN N N 84 116.900 116.900 114.431 2.469 18154 409 1 . 1 1 84 84 ASN HA H 84 4.769 4.769 4.823 -0.054 18154 410 1 . 1 1 84 84 ASN C C 84 173.332 173.332 173.540 -0.208 18154 411 1 . 1 1 84 84 ASN CA C 84 52.560 52.560 52.746 -0.186 18154 412 1 . 1 1 84 84 ASN CB C 84 39.260 39.260 40.383 -1.123 18154 413 1 . 1 1 84 84 ASN H H 84 8.578 8.578 7.975 0.603 18154 414 1 . 1 1 85 85 LEU N N 85 124.380 124.380 122.372 2.008 18154 415 1 . 1 1 85 85 LEU HA H 85 4.046 4.046 4.283 -0.237 18154 416 1 . 1 1 85 85 LEU C C 85 175.880 175.880 175.863 0.016 18154 417 1 . 1 1 85 85 LEU CA C 85 55.842 55.842 54.989 0.853 18154 418 1 . 1 1 85 85 LEU CB C 85 42.300 42.300 43.109 -0.809 18154 419 1 . 1 1 85 85 LEU H H 85 7.240 7.240 7.658 -0.418 18154 420 1 . 1 1 86 86 ARG N N 86 128.715 128.715 123.778 4.937 18154 421 1 . 1 1 86 86 ARG HA H 86 5.794 5.794 5.585 0.209 18154 422 1 . 1 1 86 86 ARG C C 86 175.554 175.554 175.420 0.134 18154 423 1 . 1 1 86 86 ARG CA C 86 54.442 54.442 53.369 1.073 18154 424 1 . 1 1 86 86 ARG CB C 86 32.873 32.873 33.515 -0.642 18154 425 1 . 1 1 86 86 ARG H H 86 7.732 7.732 7.939 -0.207 18154 426 1 . 1 1 87 87 TYR N N 87 117.420 117.420 118.313 -0.893 18154 427 1 . 1 1 87 87 TYR HA H 87 6.765 6.765 5.783 0.982 18154 428 1 . 1 1 87 87 TYR C C 87 172.931 172.931 173.484 -0.553 18154 429 1 . 1 1 87 87 TYR CA C 87 55.261 55.261 56.243 -0.982 18154 430 1 . 1 1 87 87 TYR CB C 87 44.938 44.938 41.696 3.242 18154 431 1 . 1 1 87 87 TYR H H 87 8.783 8.783 8.152 0.631 18154 432 1 . 1 1 88 88 GLY N N 88 107.765 107.765 105.559 2.206 18154 433 1 . 1 1 88 88 GLY C C 88 172.621 172.621 171.526 1.095 18154 434 1 . 1 1 88 88 GLY CA C 88 43.861 43.861 43.506 0.355 18154 435 1 . 1 1 88 88 GLY H H 88 8.905 8.905 8.575 0.330 18154 436 1 . 1 1 89 89 VAL N N 89 118.180 118.180 118.416 -0.236 18154 437 1 . 1 1 89 89 VAL HA H 89 5.001 5.001 4.869 0.132 18154 438 1 . 1 1 89 89 VAL C C 89 172.939 172.939 173.673 -0.734 18154 439 1 . 1 1 89 89 VAL CA C 89 60.999 60.999 60.580 0.419 18154 440 1 . 1 1 89 89 VAL CB C 89 36.398 36.398 35.991 0.407 18154 441 1 . 1 1 89 89 VAL H H 89 7.499 7.499 8.314 -0.815 18154 442 1 . 1 1 90 90 ILE N N 90 125.000 125.000 125.255 -0.255 18154 443 1 . 1 1 90 90 ILE HA H 90 4.127 4.127 4.132 -0.005 18154 444 1 . 1 1 90 90 ILE C C 90 173.099 173.099 173.762 -0.663 18154 445 1 . 1 1 90 90 ILE CA C 90 60.488 60.488 59.835 0.653 18154 446 1 . 1 1 90 90 ILE CB C 90 40.398 40.398 40.101 0.297 18154 447 1 . 1 1 90 90 ILE H H 90 8.810 8.810 8.762 0.048 18154 448 1 . 1 1 91 91 ALA N N 91 129.036 129.036 129.837 -0.801 18154 449 1 . 1 1 91 91 ALA HA H 91 5.326 5.326 5.340 -0.014 18154 450 1 . 1 1 91 91 ALA C C 91 174.000 174.000 175.803 -1.803 18154 451 1 . 1 1 91 91 ALA CA C 91 49.000 49.000 49.741 -0.741 18154 452 1 . 1 1 91 91 ALA CB C 91 22.100 22.100 21.118 0.982 18154 453 1 . 1 1 91 91 ALA H H 91 9.253 9.253 8.896 0.357 18154 454 1 . 1 1 92 92 LEU HA H 92 4.931 4.931 5.044 -0.113 18154 455 1 . 1 1 92 92 LEU C C 92 177.366 177.366 176.664 0.702 18154 456 1 . 1 1 92 92 LEU CA C 92 54.917 54.917 54.252 0.665 18154 457 1 . 1 1 92 92 LEU CB C 92 43.400 43.400 46.276 -2.876 18154 458 1 . 1 1 93 93 GLY N N 93 110.663 110.663 108.353 2.310 18154 459 1 . 1 1 93 93 GLY C C 93 172.029 172.029 171.847 0.182 18154 460 1 . 1 1 93 93 GLY CA C 93 45.730 45.730 45.989 -0.259 18154 461 1 . 1 1 93 93 GLY H H 93 8.687 8.687 8.779 -0.092 18154 462 1 . 1 1 94 94 ASP N N 94 119.304 119.304 120.851 -1.547 18154 463 1 . 1 1 94 94 ASP HA H 94 5.260 5.260 5.468 -0.208 18154 464 1 . 1 1 94 94 ASP C C 94 176.978 176.978 177.323 -0.344 18154 465 1 . 1 1 94 94 ASP CA C 94 53.607 53.607 52.133 1.474 18154 466 1 . 1 1 94 94 ASP CB C 94 43.000 43.000 42.595 0.405 18154 467 1 . 1 1 94 94 ASP H H 94 8.129 8.129 8.497 -0.368 18154 468 1 . 1 1 95 95 SER N N 95 123.897 123.897 121.972 1.925 18154 469 1 . 1 1 95 95 SER HA H 95 3.895 3.895 4.214 -0.319 18154 470 1 . 1 1 95 95 SER C C 95 175.243 175.243 175.298 -0.055 18154 471 1 . 1 1 95 95 SER CA C 95 60.183 60.183 60.003 0.180 18154 472 1 . 1 1 95 95 SER CB C 95 61.700 61.700 62.698 -0.998 18154 473 1 . 1 1 95 95 SER H H 95 8.878 8.878 9.288 -0.410 18154 474 1 . 1 1 96 96 SER N N 96 119.248 119.248 116.310 2.938 18154 475 1 . 1 1 96 96 SER HA H 96 4.209 4.209 4.279 -0.070 18154 476 1 . 1 1 96 96 SER C C 96 173.900 173.900 174.871 -0.971 18154 477 1 . 1 1 96 96 SER CA C 96 60.197 60.197 59.745 0.452 18154 478 1 . 1 1 96 96 SER CB C 96 63.000 63.000 63.559 -0.559 18154 479 1 . 1 1 96 96 SER H H 96 9.124 9.124 8.269 0.855 18154 480 1 . 1 1 97 97 TYR N N 97 120.889 120.889 121.118 -0.229 18154 481 1 . 1 1 97 97 TYR HA H 97 4.888 4.888 4.467 0.421 18154 482 1 . 1 1 97 97 TYR C C 97 175.972 175.972 177.008 -1.036 18154 483 1 . 1 1 97 97 TYR CA C 97 55.750 55.750 58.309 -2.559 18154 484 1 . 1 1 97 97 TYR CB C 97 39.820 39.820 39.070 0.750 18154 485 1 . 1 1 97 97 TYR H H 97 7.664 7.664 7.838 -0.174 18154 486 1 . 1 1 98 98 VAL N N 98 116.952 116.952 120.601 -3.649 18154 487 1 . 1 1 98 98 VAL HA H 98 4.060 4.060 3.856 0.204 18154 488 1 . 1 1 98 98 VAL C C 98 175.969 175.969 176.571 -0.602 18154 489 1 . 1 1 98 98 VAL CA C 98 62.840 62.840 64.469 -1.629 18154 490 1 . 1 1 98 98 VAL CB C 98 32.600 32.600 31.964 0.636 18154 491 1 . 1 1 98 98 VAL H H 98 7.970 7.970 8.479 -0.509 18154 492 1 . 1 1 99 99 ASN N N 99 118.156 118.156 117.495 0.661 18154 493 1 . 1 1 99 99 ASN HA H 99 4.511 4.511 4.715 -0.204 18154 494 1 . 1 1 99 99 ASN C C 99 174.329 174.329 175.168 -0.839 18154 495 1 . 1 1 99 99 ASN CA C 99 53.031 53.031 53.117 -0.086 18154 496 1 . 1 1 99 99 ASN CB C 99 37.238 37.238 37.695 -0.457 18154 497 1 . 1 1 99 99 ASN H H 99 8.296 8.296 8.307 -0.011 18154 498 1 . 1 1 100 100 PHE N N 100 118.649 118.649 120.904 -2.255 18154 499 1 . 1 1 100 100 PHE HA H 100 4.415 4.415 4.179 0.236 18154 500 1 . 1 1 100 100 PHE C C 100 174.400 174.400 175.736 -1.336 18154 501 1 . 1 1 100 100 PHE CA C 100 58.190 58.190 60.848 -2.658 18154 502 1 . 1 1 100 100 PHE CB C 100 39.679 39.679 38.633 1.046 18154 503 1 . 1 1 100 100 PHE H H 100 7.855 7.855 7.967 -0.112 18154 504 1 . 1 1 101 101 CYS HA H 101 3.585 3.585 4.022 -0.438 18154 505 1 . 1 1 101 101 CYS CA C 101 62.740 62.740 58.559 4.181 18154 506 1 . 1 1 101 101 CYS CB C 101 26.000 26.000 26.495 -0.495 18154 507 1 . 1 1 101 101 CYS H H 101 9.240 9.240 8.253 0.987 18154 508 1 . 1 1 102 102 ASN HA H 102 4.220 4.220 4.401 -0.181 18154 509 1 . 1 1 102 102 ASN CA C 102 57.200 57.200 56.380 0.820 18154 510 1 . 1 1 102 102 ASN CB C 102 38.600 38.600 38.560 0.040 18154 511 1 . 1 1 102 102 ASN H H 102 8.300 8.300 8.424 -0.124 18154 512 1 . 1 1 103 103 GLY C C 103 175.690 175.690 175.810 -0.120 18154 513 1 . 1 1 103 103 GLY CA C 103 47.350 47.350 47.017 0.333 18154 514 1 . 1 1 104 104 GLY N N 104 106.150 106.150 109.823 -3.673 18154 515 1 . 1 1 104 104 GLY C C 104 174.570 174.570 176.190 -1.620 18154 516 1 . 1 1 104 104 GLY CA C 104 47.350 47.350 46.403 0.947 18154 517 1 . 1 1 104 104 GLY H H 104 7.108 7.108 7.682 -0.574 18154 518 1 . 1 1 105 105 LYS N N 105 120.732 120.732 122.381 -1.649 18154 519 1 . 1 1 105 105 LYS HA H 105 3.937 3.937 3.959 -0.022 18154 520 1 . 1 1 105 105 LYS C C 105 179.706 179.706 179.109 0.597 18154 521 1 . 1 1 105 105 LYS CA C 105 60.308 60.308 60.000 0.308 18154 522 1 . 1 1 105 105 LYS CB C 105 31.797 31.797 32.249 -0.452 18154 523 1 . 1 1 105 105 LYS H H 105 7.708 7.708 7.724 -0.016 18154 524 1 . 1 1 106 106 GLN N N 106 119.087 119.087 118.377 0.710 18154 525 1 . 1 1 106 106 GLN HA H 106 4.142 4.142 4.132 0.010 18154 526 1 . 1 1 106 106 GLN C C 106 179.418 179.418 178.559 0.859 18154 527 1 . 1 1 106 106 GLN CA C 106 58.875 58.875 58.622 0.253 18154 528 1 . 1 1 106 106 GLN CB C 106 28.759 28.759 28.304 0.455 18154 529 1 . 1 1 106 106 GLN H H 106 8.738 8.738 8.480 0.258 18154 530 1 . 1 1 107 107 PHE N N 107 123.088 123.088 120.534 2.554 18154 531 1 . 1 1 107 107 PHE HA H 107 4.250 4.250 4.384 -0.134 18154 532 1 . 1 1 107 107 PHE C C 107 178.403 178.403 177.699 0.704 18154 533 1 . 1 1 107 107 PHE CA C 107 62.185 62.185 61.912 0.273 18154 534 1 . 1 1 107 107 PHE CB C 107 39.451 39.451 39.042 0.409 18154 535 1 . 1 1 107 107 PHE H H 107 7.922 7.922 8.074 -0.153 18154 536 1 . 1 1 108 108 ASP N N 108 117.118 117.118 120.382 -3.264 18154 537 1 . 1 1 108 108 ASP HA H 108 4.374 4.374 4.531 -0.157 18154 538 1 . 1 1 108 108 ASP C C 108 176.973 176.973 178.322 -1.349 18154 539 1 . 1 1 108 108 ASP CA C 108 58.429 58.429 57.590 0.839 18154 540 1 . 1 1 108 108 ASP CB C 108 44.123 44.123 41.021 3.102 18154 541 1 . 1 1 108 108 ASP H H 108 8.305 8.305 8.327 -0.022 18154 542 1 . 1 1 109 109 ALA N N 109 118.590 118.590 122.262 -3.672 18154 543 1 . 1 1 109 109 ALA HA H 109 4.050 4.050 4.063 -0.013 18154 544 1 . 1 1 109 109 ALA C C 109 180.430 180.430 179.432 0.998 18154 545 1 . 1 1 109 109 ALA CA C 109 55.196 55.196 55.079 0.117 18154 546 1 . 1 1 109 109 ALA CB C 109 18.107 18.107 18.551 -0.444 18154 547 1 . 1 1 109 109 ALA H H 109 8.332 8.332 8.207 0.125 18154 548 1 . 1 1 110 110 LEU N N 110 120.402 120.402 120.008 0.394 18154 549 1 . 1 1 110 110 LEU HA H 110 4.085 4.085 3.894 0.191 18154 550 1 . 1 1 110 110 LEU C C 110 177.801 177.801 178.811 -1.010 18154 551 1 . 1 1 110 110 LEU CA C 110 57.640 57.640 57.663 -0.023 18154 552 1 . 1 1 110 110 LEU CB C 110 41.756 41.756 40.768 0.988 18154 553 1 . 1 1 110 110 LEU H H 110 7.868 7.868 7.985 -0.117 18154 554 1 . 1 1 111 111 LEU N N 111 116.945 116.945 116.811 0.134 18154 555 1 . 1 1 111 111 LEU HA H 111 3.718 3.718 3.872 -0.154 18154 556 1 . 1 1 111 111 LEU C C 111 179.838 179.838 179.433 0.405 18154 557 1 . 1 1 111 111 LEU CA C 111 57.965 57.965 57.360 0.605 18154 558 1 . 1 1 111 111 LEU CB C 111 38.860 38.860 41.125 -2.265 18154 559 1 . 1 1 111 111 LEU H H 111 7.704 7.704 7.323 0.381 18154 560 1 . 1 1 112 112 GLN N N 112 118.484 118.484 117.221 1.263 18154 561 1 . 1 1 112 112 GLN HA H 112 4.141 4.141 4.141 -0.000 18154 562 1 . 1 1 112 112 GLN C C 112 181.218 181.218 178.258 2.960 18154 563 1 . 1 1 112 112 GLN CA C 112 58.966 58.966 57.770 1.196 18154 564 1 . 1 1 112 112 GLN CB C 112 29.260 29.260 28.239 1.021 18154 565 1 . 1 1 112 112 GLN H H 112 8.441 8.441 8.006 0.435 18154 566 1 . 1 1 113 113 GLU N N 113 122.905 122.905 116.962 5.943 18154 567 1 . 1 1 113 113 GLU HA H 113 4.181 4.181 4.123 0.058 18154 568 1 . 1 1 113 113 GLU C C 113 178.001 178.001 177.544 0.457 18154 569 1 . 1 1 113 113 GLU CA C 113 58.985 58.985 57.836 1.149 18154 570 1 . 1 1 113 113 GLU CB C 113 29.270 29.270 29.425 -0.155 18154 571 1 . 1 1 113 113 GLU H H 113 8.305 8.305 7.895 0.410 18154 572 1 . 1 1 114 114 GLN N N 114 117.332 117.332 118.253 -0.921 18154 573 1 . 1 1 114 114 GLN HA H 114 4.595 4.595 4.269 0.326 18154 574 1 . 1 1 114 114 GLN C C 114 174.538 174.538 176.963 -2.425 18154 575 1 . 1 1 114 114 GLN CA C 114 56.417 56.417 57.652 -1.235 18154 576 1 . 1 1 114 114 GLN CB C 114 25.830 25.830 30.448 -4.618 18154 577 1 . 1 1 114 114 GLN H H 114 7.520 7.520 7.545 -0.025 18154 578 1 . 1 1 115 115 SER N N 115 109.100 109.100 109.360 -0.260 18154 579 1 . 1 1 115 115 SER HA H 115 4.200 4.200 4.507 -0.307 18154 580 1 . 1 1 115 115 SER C C 115 172.302 172.302 173.759 -1.457 18154 581 1 . 1 1 115 115 SER CA C 115 60.400 60.400 58.408 1.992 18154 582 1 . 1 1 115 115 SER CB C 115 61.325 61.325 65.188 -3.863 18154 583 1 . 1 1 115 115 SER H H 115 7.950 7.950 7.912 0.038 18154 584 1 . 1 1 116 116 ALA N N 116 121.059 121.059 125.902 -4.843 18154 585 1 . 1 1 116 116 ALA HA H 116 4.794 4.794 4.254 0.540 18154 586 1 . 1 1 116 116 ALA C C 116 176.774 176.774 176.145 0.629 18154 587 1 . 1 1 116 116 ALA CA C 116 51.690 51.690 52.440 -0.750 18154 588 1 . 1 1 116 116 ALA CB C 116 21.365 21.365 20.443 0.922 18154 589 1 . 1 1 116 116 ALA H H 116 7.813 7.813 7.746 0.067 18154 590 1 . 1 1 117 117 GLN N N 117 118.000 118.000 119.090 -1.090 18154 591 1 . 1 1 117 117 GLN HA H 117 4.618 4.618 4.668 -0.051 18154 592 1 . 1 1 117 117 GLN C C 117 173.769 173.769 175.137 -1.368 18154 593 1 . 1 1 117 117 GLN CA C 117 54.556 54.556 54.593 -0.037 18154 594 1 . 1 1 117 117 GLN CB C 117 30.735 30.735 31.462 -0.727 18154 595 1 . 1 1 117 117 GLN H H 117 8.591 8.591 8.316 0.275 18154 596 1 . 1 1 118 118 ARG N N 118 127.947 127.947 124.353 3.594 18154 597 1 . 1 1 118 118 ARG HA H 118 3.308 3.308 3.732 -0.424 18154 598 1 . 1 1 118 118 ARG C C 118 176.758 176.758 175.632 1.126 18154 599 1 . 1 1 118 118 ARG CA C 118 56.186 56.186 55.977 0.209 18154 600 1 . 1 1 118 118 ARG CB C 118 30.310 30.310 31.681 -1.371 18154 601 1 . 1 1 118 118 ARG H H 118 8.659 8.659 8.767 -0.108 18154 602 1 . 1 1 119 119 VAL N N 119 131.939 131.939 123.468 8.471 18154 603 1 . 1 1 119 119 VAL HA H 119 4.113 4.113 4.262 -0.149 18154 604 1 . 1 1 119 119 VAL C C 119 176.775 176.775 176.143 0.632 18154 605 1 . 1 1 119 119 VAL CA C 119 62.174 62.174 61.848 0.326 18154 606 1 . 1 1 119 119 VAL CB C 119 32.394 32.394 33.105 -0.711 18154 607 1 . 1 1 119 119 VAL H H 119 9.520 9.520 8.455 1.065 18154 608 1 . 1 1 120 120 GLY N N 120 116.074 116.074 113.084 2.990 18154 609 1 . 1 1 120 120 GLY C C 120 172.757 172.757 173.852 -1.095 18154 610 1 . 1 1 120 120 GLY CA C 120 43.898 43.898 45.182 -1.284 18154 611 1 . 1 1 120 120 GLY H H 120 8.755 8.755 8.380 0.375 18154 612 1 . 1 1 121 121 GLU N N 121 118.754 118.754 120.249 -1.495 18154 613 1 . 1 1 121 121 GLU HA H 121 4.666 4.666 4.653 0.013 18154 614 1 . 1 1 121 121 GLU C C 121 177.419 177.419 176.820 0.599 18154 615 1 . 1 1 121 121 GLU CA C 121 54.491 54.491 55.603 -1.112 18154 616 1 . 1 1 121 121 GLU CB C 121 31.498 31.498 30.890 0.608 18154 617 1 . 1 1 121 121 GLU H H 121 8.594 8.594 8.549 0.045 18154 618 1 . 1 1 122 122 MET N N 122 122.642 122.642 120.425 2.217 18154 619 1 . 1 1 122 122 MET HA H 122 4.415 4.415 4.960 -0.545 18154 620 1 . 1 1 122 122 MET C C 122 175.351 175.351 174.961 0.390 18154 621 1 . 1 1 122 122 MET CA C 122 57.024 57.024 54.569 2.455 18154 622 1 . 1 1 122 122 MET CB C 122 34.210 34.210 33.697 0.513 18154 623 1 . 1 1 122 122 MET H H 122 8.892 8.892 8.505 0.387 18154 624 1 . 1 1 123 123 LEU N N 123 129.535 129.535 122.010 7.525 18154 625 1 . 1 1 123 123 LEU HA H 123 4.350 4.350 4.356 -0.006 18154 626 1 . 1 1 123 123 LEU C C 123 173.124 173.124 174.445 -1.321 18154 627 1 . 1 1 123 123 LEU CA C 123 53.739 53.739 53.101 0.638 18154 628 1 . 1 1 123 123 LEU CB C 123 41.078 41.078 42.922 -1.844 18154 629 1 . 1 1 123 123 LEU H H 123 7.868 7.868 7.474 0.394 18154 630 1 . 1 1 124 124 LEU N N 124 127.120 127.120 125.773 1.347 18154 631 1 . 1 1 124 124 LEU HA H 124 5.055 5.055 4.691 0.364 18154 632 1 . 1 1 124 124 LEU C C 124 176.379 176.379 176.136 0.243 18154 633 1 . 1 1 124 124 LEU CA C 124 53.550 53.550 53.102 0.448 18154 634 1 . 1 1 124 124 LEU CB C 124 41.378 41.378 42.739 -1.361 18154 635 1 . 1 1 124 124 LEU H H 124 8.346 8.346 8.201 0.145 18154 636 1 . 1 1 125 125 ILE N N 125 124.337 124.337 124.976 -0.639 18154 637 1 . 1 1 125 125 ILE HA H 125 4.180 4.180 4.267 -0.087 18154 638 1 . 1 1 125 125 ILE C C 125 174.303 174.303 174.935 -0.632 18154 639 1 . 1 1 125 125 ILE CA C 125 61.100 61.100 61.414 -0.314 18154 640 1 . 1 1 125 125 ILE CB C 125 39.943 39.943 40.380 -0.437 18154 641 1 . 1 1 125 125 ILE H H 125 8.974 8.974 8.522 0.452 18154 642 1 . 1 1 126 126 ASP N N 126 127.113 127.113 128.448 -1.335 18154 643 1 . 1 1 126 126 ASP HA H 126 5.115 5.115 5.454 -0.339 18154 644 1 . 1 1 126 126 ASP C C 126 176.766 176.766 176.291 0.475 18154 645 1 . 1 1 126 126 ASP CA C 126 51.847 51.847 52.355 -0.508 18154 646 1 . 1 1 126 126 ASP CB C 126 41.100 41.100 41.827 -0.727 18154 647 1 . 1 1 126 126 ASP H H 126 9.397 9.397 8.739 0.658 18154 648 1 . 1 1 127 127 ALA N N 127 131.178 131.178 130.899 0.279 18154 649 1 . 1 1 127 127 ALA HA H 127 4.316 4.316 4.577 -0.261 18154 650 1 . 1 1 127 127 ALA C C 127 178.530 178.530 178.676 -0.146 18154 651 1 . 1 1 127 127 ALA CA C 127 53.847 53.847 54.031 -0.184 18154 652 1 . 1 1 127 127 ALA CB C 127 18.792 18.792 19.129 -0.337 18154 653 1 . 1 1 127 127 ALA H H 127 9.696 9.696 9.138 0.558 18154 654 1 . 1 1 128 128 SER N N 128 112.064 112.064 112.795 -0.731 18154 655 1 . 1 1 128 128 SER HA H 128 4.224 4.224 4.275 -0.051 18154 656 1 . 1 1 128 128 SER C C 128 175.000 175.000 175.465 -0.465 18154 657 1 . 1 1 128 128 SER CA C 128 61.246 61.246 60.582 0.664 18154 658 1 . 1 1 128 128 SER CB C 128 63.310 63.310 63.482 -0.172 18154 659 1 . 1 1 128 128 SER H H 128 8.373 8.373 8.233 0.140 18154 660 1 . 1 1 129 129 GLU N N 129 119.468 119.468 119.283 0.185 18154 661 1 . 1 1 129 129 GLU HA H 129 4.400 4.400 4.427 -0.027 18154 662 1 . 1 1 129 129 GLU C C 129 175.947 175.947 176.105 -0.158 18154 663 1 . 1 1 129 129 GLU CA C 129 56.415 56.415 56.842 -0.426 18154 664 1 . 1 1 129 129 GLU CB C 129 31.730 31.730 31.685 0.045 18154 665 1 . 1 1 129 129 GLU H H 129 7.267 7.267 7.615 -0.348 18154 666 1 . 1 1 130 130 ASN N N 130 115.968 115.968 117.892 -1.924 18154 667 1 . 1 1 130 130 ASN HA H 130 5.166 5.166 5.115 0.051 18154 668 1 . 1 1 130 130 ASN C C 130 172.000 172.000 173.874 -1.874 18154 669 1 . 1 1 130 130 ASN CA C 130 50.223 50.223 50.840 -0.617 18154 670 1 . 1 1 130 130 ASN CB C 130 39.666 39.666 39.881 -0.215 18154 671 1 . 1 1 130 130 ASN H H 130 8.072 8.072 8.164 -0.092 18154 672 1 . 1 1 131 131 PRO HA H 131 4.550 4.550 4.569 -0.019 18154 673 1 . 1 1 131 131 PRO C C 131 176.400 176.400 176.272 0.129 18154 674 1 . 1 1 131 131 PRO CA C 131 63.500 63.500 63.624 -0.124 18154 675 1 . 1 1 131 131 PRO CB C 131 32.300 32.300 31.900 0.400 18154 676 1 . 1 1 132 132 GLU N N 132 119.000 119.000 119.022 -0.022 18154 677 1 . 1 1 132 132 GLU HA H 132 5.020 5.020 4.839 0.181 18154 678 1 . 1 1 132 132 GLU C C 132 174.200 174.200 175.275 -1.075 18154 679 1 . 1 1 132 132 GLU CA C 132 53.000 53.000 52.992 0.008 18154 680 1 . 1 1 132 132 GLU CB C 132 29.700 29.700 29.275 0.425 18154 681 1 . 1 1 132 132 GLU H H 132 7.690 7.690 8.133 -0.443 18154 682 1 . 1 1 133 133 PRO HA H 133 4.000 4.000 4.234 -0.234 18154 683 1 . 1 1 133 133 PRO C C 133 177.391 177.391 178.088 -0.697 18154 684 1 . 1 1 133 133 PRO CA C 133 65.469 65.469 65.139 0.330 18154 685 1 . 1 1 133 133 PRO CB C 133 32.145 32.145 31.975 0.170 18154 686 1 . 1 1 134 134 GLU N N 134 122.846 122.846 117.805 5.041 18154 687 1 . 1 1 134 134 GLU HA H 134 5.220 5.220 4.191 1.029 18154 688 1 . 1 1 134 134 GLU C C 134 178.385 178.385 178.683 -0.298 18154 689 1 . 1 1 134 134 GLU CA C 134 57.592 57.592 59.243 -1.651 18154 690 1 . 1 1 134 134 GLU CB C 134 26.590 26.590 28.346 -1.756 18154 691 1 . 1 1 134 134 GLU H H 134 10.707 10.707 8.833 1.874 18154 692 1 . 1 1 135 135 THR N N 135 113.016 113.016 111.184 1.832 18154 693 1 . 1 1 135 135 THR HA H 135 4.182 4.182 4.196 -0.014 18154 694 1 . 1 1 135 135 THR C C 135 176.460 176.460 175.875 0.585 18154 695 1 . 1 1 135 135 THR CA C 135 64.752 64.752 64.971 -0.219 18154 696 1 . 1 1 135 135 THR CB C 135 69.248 69.248 68.845 0.403 18154 697 1 . 1 1 135 135 THR H H 135 8.168 8.168 8.118 0.050 18154 698 1 . 1 1 136 136 GLU N N 136 118.978 118.978 121.525 -2.547 18154 699 1 . 1 1 136 136 GLU HA H 136 4.564 4.564 4.445 0.119 18154 700 1 . 1 1 136 136 GLU C C 136 178.370 178.370 178.607 -0.237 18154 701 1 . 1 1 136 136 GLU CA C 136 56.913 56.913 58.299 -1.386 18154 702 1 . 1 1 136 136 GLU CB C 136 32.100 32.100 30.607 1.493 18154 703 1 . 1 1 136 136 GLU H H 136 7.680 7.680 7.687 -0.007 18154 704 1 . 1 1 137 137 SER N N 137 116.501 116.501 115.871 0.630 18154 705 1 . 1 1 137 137 SER HA H 137 4.033 4.033 4.210 -0.177 18154 706 1 . 1 1 137 137 SER C C 137 175.670 175.670 176.613 -0.943 18154 707 1 . 1 1 137 137 SER CA C 137 62.330 62.330 62.004 0.326 18154 708 1 . 1 1 137 137 SER CB C 137 61.380 61.380 63.034 -1.654 18154 709 1 . 1 1 137 137 SER H H 137 8.824 8.824 8.346 0.478 18154 710 1 . 1 1 138 138 ASN N N 138 123.517 123.517 121.282 2.235 18154 711 1 . 1 1 138 138 ASN HA H 138 4.591 4.591 4.726 -0.135 18154 712 1 . 1 1 138 138 ASN C C 138 175.700 175.700 175.366 0.334 18154 713 1 . 1 1 138 138 ASN CA C 138 57.486 57.486 57.815 -0.329 18154 714 1 . 1 1 138 138 ASN CB C 138 34.253 34.253 37.088 -2.835 18154 715 1 . 1 1 138 138 ASN H H 138 8.564 8.564 8.368 0.196 18154 716 1 . 1 1 139 139 PRO HA H 139 4.455 4.455 4.339 0.116 18154 717 1 . 1 1 139 139 PRO C C 139 180.033 180.033 178.392 1.641 18154 718 1 . 1 1 139 139 PRO CA C 139 65.610 65.610 65.287 0.323 18154 719 1 . 1 1 139 139 PRO CB C 139 30.536 30.536 31.288 -0.753 18154 720 1 . 1 1 140 140 TRP N N 140 119.700 119.700 121.493 -1.793 18154 721 1 . 1 1 140 140 TRP HA H 140 4.333 4.333 4.440 -0.107 18154 722 1 . 1 1 140 140 TRP C C 140 179.195 179.195 178.011 1.184 18154 723 1 . 1 1 140 140 TRP CA C 140 62.180 62.180 61.594 0.586 18154 724 1 . 1 1 140 140 TRP CB C 140 30.751 30.751 29.622 1.129 18154 725 1 . 1 1 140 140 TRP H H 140 7.057 7.057 7.576 -0.519 18154 726 1 . 1 1 141 141 VAL N N 141 122.879 122.879 119.314 3.565 18154 727 1 . 1 1 141 141 VAL HA H 141 3.736 3.736 3.723 0.013 18154 728 1 . 1 1 141 141 VAL C C 141 177.416 177.416 178.488 -1.072 18154 729 1 . 1 1 141 141 VAL CA C 141 66.716 66.716 67.228 -0.512 18154 730 1 . 1 1 141 141 VAL CB C 141 31.432 31.432 31.529 -0.097 18154 731 1 . 1 1 141 141 VAL H H 141 9.629 9.629 8.785 0.844 18154 732 1 . 1 1 142 142 GLU N N 142 119.965 119.965 119.605 0.360 18154 733 1 . 1 1 142 142 GLU HA H 142 3.732 3.732 3.997 -0.265 18154 734 1 . 1 1 142 142 GLU C C 142 178.800 178.800 178.737 0.063 18154 735 1 . 1 1 142 142 GLU CA C 142 59.332 59.332 59.477 -0.145 18154 736 1 . 1 1 142 142 GLU CB C 142 29.560 29.560 29.470 0.090 18154 737 1 . 1 1 142 142 GLU H H 142 8.551 8.551 8.205 0.346 18154 738 1 . 1 1 143 143 GLN N N 143 115.364 115.364 119.312 -3.948 18154 739 1 . 1 1 143 143 GLN HA H 143 4.290 4.290 4.058 0.232 18154 740 1 . 1 1 143 143 GLN C C 143 177.840 177.840 178.025 -0.185 18154 741 1 . 1 1 143 143 GLN CA C 143 59.363 59.363 58.425 0.938 18154 742 1 . 1 1 143 143 GLN CB C 143 29.362 29.362 28.749 0.613 18154 743 1 . 1 1 143 143 GLN H H 143 7.380 7.380 7.876 -0.496 18154 744 1 . 1 1 144 144 TRP N N 144 126.680 126.680 122.430 4.250 18154 745 1 . 1 1 144 144 TRP HA H 144 3.334 3.334 3.993 -0.659 18154 746 1 . 1 1 144 144 TRP C C 144 178.200 178.200 178.521 -0.321 18154 747 1 . 1 1 144 144 TRP CA C 144 62.960 62.960 60.689 2.271 18154 748 1 . 1 1 144 144 TRP CB C 144 28.525 28.525 28.431 0.094 18154 749 1 . 1 1 144 144 TRP H H 144 9.215 9.215 8.627 0.588 18154 750 1 . 1 1 145 145 GLY N N 145 100.130 100.130 105.507 -5.377 18154 751 1 . 1 1 145 145 GLY C C 145 177.391 177.391 175.401 1.990 18154 752 1 . 1 1 145 145 GLY CA C 145 46.760 46.760 47.223 -0.463 18154 753 1 . 1 1 145 145 GLY H H 145 8.834 8.834 8.662 0.172 18154 754 1 . 1 1 146 146 THR N N 146 110.831 110.831 113.703 -2.872 18154 755 1 . 1 1 146 146 THR HA H 146 4.319 4.319 4.089 0.230 18154 756 1 . 1 1 146 146 THR C C 146 175.574 175.574 175.586 -0.012 18154 757 1 . 1 1 146 146 THR CA C 146 63.260 63.260 64.210 -0.951 18154 758 1 . 1 1 146 146 THR CB C 146 69.660 69.660 68.603 1.057 18154 759 1 . 1 1 146 146 THR H H 146 7.594 7.594 7.636 -0.042 18154 760 1 . 1 1 147 147 LEU N N 147 120.678 120.678 120.084 0.594 18154 761 1 . 1 1 147 147 LEU HA H 147 4.058 4.058 4.140 -0.082 18154 762 1 . 1 1 147 147 LEU C C 147 177.176 177.176 176.876 0.300 18154 763 1 . 1 1 147 147 LEU CA C 147 54.314 54.314 55.568 -1.254 18154 764 1 . 1 1 147 147 LEU CB C 147 41.228 41.228 41.434 -0.206 18154 765 1 . 1 1 147 147 LEU H H 147 7.458 7.458 7.507 -0.049 18154 766 1 . 1 1 148 148 LEU N N 148 117.062 117.062 118.290 -1.228 18154 767 1 . 1 1 148 148 LEU HA H 148 3.718 3.718 3.730 -0.012 18154 768 1 . 1 1 148 148 LEU C C 148 175.570 175.570 176.756 -1.186 18154 769 1 . 1 1 148 148 LEU CA C 148 53.951 53.951 54.393 -0.442 18154 770 1 . 1 1 148 148 LEU CB C 148 39.600 39.600 41.048 -1.448 18154 771 1 . 1 1 148 148 LEU H H 148 6.482 6.482 6.939 -0.457 18154 stop_ save_