data_18400 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18400 _Entry.PDB_ID 2LRX 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 18400 _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 GLN N N 2 122.420 122.420 120.447 1.973 18400 2 1 1 . 1 1 2 2 GLN HA H 2 4.665 4.665 4.728 -0.063 18400 3 1 1 . 1 1 2 2 GLN CA C 2 53.740 53.740 53.883 -0.143 18400 4 1 1 . 1 1 2 2 GLN CB C 2 28.509 28.509 28.953 -0.444 18400 5 1 1 . 1 1 2 2 GLN H H 2 8.573 8.573 8.147 0.426 18400 6 1 1 . 1 1 3 3 PRO HA H 3 4.464 4.464 4.583 -0.119 18400 7 1 1 . 1 1 3 3 PRO C C 3 177.173 177.173 176.006 1.167 18400 8 1 1 . 1 1 3 3 PRO CA C 3 62.946 62.946 62.051 0.895 18400 9 1 1 . 1 1 3 3 PRO CB C 3 32.109 32.109 32.434 -0.325 18400 10 1 1 . 1 1 4 4 ARG N N 4 122.684 122.684 121.057 1.627 18400 11 1 1 . 1 1 4 4 ARG HA H 4 4.578 4.578 4.233 0.345 18400 12 1 1 . 1 1 4 4 ARG CA C 4 53.646 53.646 55.626 -1.980 18400 13 1 1 . 1 1 4 4 ARG CB C 4 29.634 29.634 29.536 0.098 18400 14 1 1 . 1 1 4 4 ARG H H 4 8.438 8.438 8.550 -0.112 18400 15 1 1 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.532 -0.132 18400 16 1 1 . 1 1 5 5 PRO C C 5 177.137 177.137 175.635 1.502 18400 17 1 1 . 1 1 5 5 PRO CA C 5 62.490 62.490 62.516 -0.026 18400 18 1 1 . 1 1 5 5 PRO CB C 5 31.928 31.928 32.932 -1.004 18400 19 1 1 . 1 1 6 6 ALA N N 6 123.540 123.540 127.678 -4.138 18400 20 1 1 . 1 1 6 6 ALA HA H 6 3.919 3.919 4.388 -0.469 18400 21 1 1 . 1 1 6 6 ALA C C 6 176.845 176.845 175.661 1.184 18400 22 1 1 . 1 1 6 6 ALA CA C 6 53.270 53.270 51.075 2.195 18400 23 1 1 . 1 1 6 6 ALA CB C 6 19.045 19.045 19.967 -0.922 18400 24 1 1 . 1 1 6 6 ALA H H 6 8.360 8.360 8.215 0.145 18400 25 1 1 . 1 1 7 7 LYS N N 7 121.074 121.074 120.069 1.005 18400 26 1 1 . 1 1 7 7 LYS HA H 7 4.306 4.306 4.441 -0.135 18400 27 1 1 . 1 1 7 7 LYS C C 7 175.113 175.113 174.308 0.805 18400 28 1 1 . 1 1 7 7 LYS CA C 7 56.621 56.621 55.700 0.921 18400 29 1 1 . 1 1 7 7 LYS CB C 7 36.158 36.158 32.850 3.308 18400 30 1 1 . 1 1 7 7 LYS H H 7 7.691 7.691 7.835 -0.144 18400 31 1 1 . 1 1 8 8 TYR N N 8 117.325 117.325 121.311 -3.986 18400 32 1 1 . 1 1 8 8 TYR HA H 8 5.660 5.660 4.681 0.979 18400 33 1 1 . 1 1 8 8 TYR C C 8 175.278 175.278 174.257 1.021 18400 34 1 1 . 1 1 8 8 TYR CA C 8 56.011 56.011 56.418 -0.407 18400 35 1 1 . 1 1 8 8 TYR CB C 8 42.531 42.531 42.801 -0.270 18400 36 1 1 . 1 1 8 8 TYR H H 8 8.349 8.349 8.242 0.107 18400 37 1 1 . 1 1 9 9 LYS N N 9 120.812 120.812 122.355 -1.543 18400 38 1 1 . 1 1 9 9 LYS HA H 9 5.647 5.647 4.951 0.696 18400 39 1 1 . 1 1 9 9 LYS C C 9 174.978 174.978 175.268 -0.290 18400 40 1 1 . 1 1 9 9 LYS CA C 9 54.767 54.767 55.911 -1.144 18400 41 1 1 . 1 1 9 9 LYS CB C 9 36.033 36.033 34.512 1.521 18400 42 1 1 . 1 1 9 9 LYS H H 9 9.648 9.648 8.918 0.730 18400 43 1 1 . 1 1 10 10 PHE N N 10 118.595 118.595 125.193 -6.598 18400 44 1 1 . 1 1 10 10 PHE HA H 10 5.220 5.220 4.885 0.335 18400 45 1 1 . 1 1 10 10 PHE C C 10 172.698 172.698 172.317 0.381 18400 46 1 1 . 1 1 10 10 PHE CA C 10 55.854 55.854 56.556 -0.702 18400 47 1 1 . 1 1 10 10 PHE CB C 10 40.607 40.607 41.799 -1.192 18400 48 1 1 . 1 1 10 10 PHE H H 10 8.890 8.890 8.519 0.371 18400 49 1 1 . 1 1 11 11 THR N N 11 117.249 117.249 115.819 1.430 18400 50 1 1 . 1 1 11 11 THR HA H 11 4.745 4.745 4.229 0.516 18400 51 1 1 . 1 1 11 11 THR C C 11 175.071 175.071 172.960 2.111 18400 52 1 1 . 1 1 11 11 THR CA C 11 61.667 61.667 59.541 2.126 18400 53 1 1 . 1 1 11 11 THR CB C 11 69.324 69.324 69.480 -0.156 18400 54 1 1 . 1 1 11 11 THR H H 11 8.904 8.904 7.663 1.241 18400 55 1 1 . 1 1 12 12 ASP N N 12 127.813 127.813 127.672 0.141 18400 56 1 1 . 1 1 12 12 ASP HA H 12 4.903 4.903 4.021 0.882 18400 57 1 1 . 1 1 12 12 ASP C C 12 179.041 179.041 177.443 1.598 18400 58 1 1 . 1 1 12 12 ASP CA C 12 52.773 52.773 55.401 -2.628 18400 59 1 1 . 1 1 12 12 ASP CB C 12 38.879 38.879 41.174 -2.295 18400 60 1 1 . 1 1 12 12 ASP H H 12 8.993 8.993 7.956 1.037 18400 61 1 1 . 1 1 13 13 VAL N N 13 117.388 117.388 119.550 -2.162 18400 62 1 1 . 1 1 13 13 VAL HA H 13 3.990 3.990 3.699 0.291 18400 63 1 1 . 1 1 13 13 VAL C C 13 176.796 176.796 176.159 0.637 18400 64 1 1 . 1 1 13 13 VAL CA C 13 64.349 64.349 64.625 -0.276 18400 65 1 1 . 1 1 13 13 VAL CB C 13 31.652 31.652 31.883 -0.231 18400 66 1 1 . 1 1 13 13 VAL H H 13 8.950 8.950 8.477 0.473 18400 67 1 1 . 1 1 14 14 ASN N N 14 117.303 117.303 115.996 1.307 18400 68 1 1 . 1 1 14 14 ASN HA H 14 4.781 4.781 4.636 0.145 18400 69 1 1 . 1 1 14 14 ASN C C 14 176.606 176.606 175.440 1.166 18400 70 1 1 . 1 1 14 14 ASN CB C 14 38.851 38.851 38.986 -0.135 18400 71 1 1 . 1 1 14 14 ASN H H 14 8.011 8.011 8.195 -0.184 18400 72 1 1 . 1 1 15 15 GLY N N 15 108.443 108.443 107.938 0.505 18400 73 1 1 . 1 1 15 15 GLY C C 15 174.799 174.799 174.445 0.354 18400 74 1 1 . 1 1 15 15 GLY CA C 15 45.246 45.246 44.795 0.451 18400 75 1 1 . 1 1 15 15 GLY H H 15 8.288 8.288 7.491 0.797 18400 76 1 1 . 1 1 16 16 GLU N N 16 122.005 122.005 119.669 2.336 18400 77 1 1 . 1 1 16 16 GLU HA H 16 4.373 4.373 4.303 0.070 18400 78 1 1 . 1 1 16 16 GLU C C 16 176.564 176.564 175.451 1.113 18400 79 1 1 . 1 1 16 16 GLU CA C 16 55.798 55.798 56.869 -1.071 18400 80 1 1 . 1 1 16 16 GLU CB C 16 30.932 30.932 30.007 0.925 18400 81 1 1 . 1 1 16 16 GLU H H 16 8.045 8.045 8.155 -0.110 18400 82 1 1 . 1 1 17 17 THR N N 17 120.458 120.458 113.925 6.533 18400 83 1 1 . 1 1 17 17 THR HA H 17 4.583 4.583 5.184 -0.601 18400 84 1 1 . 1 1 17 17 THR C C 17 174.583 174.583 173.766 0.817 18400 85 1 1 . 1 1 17 17 THR CA C 17 63.471 63.471 61.708 1.763 18400 86 1 1 . 1 1 17 17 THR CB C 17 69.004 69.004 69.821 -0.817 18400 87 1 1 . 1 1 17 17 THR H H 17 8.758 8.758 8.307 0.451 18400 88 1 1 . 1 1 18 18 LYS N N 18 129.000 129.000 123.825 5.175 18400 89 1 1 . 1 1 18 18 LYS HA H 18 4.581 4.581 4.840 -0.259 18400 90 1 1 . 1 1 18 18 LYS C C 18 174.995 174.995 174.797 0.198 18400 91 1 1 . 1 1 18 18 LYS CB C 18 36.219 36.219 35.766 0.453 18400 92 1 1 . 1 1 18 18 LYS H H 18 8.848 8.848 8.040 0.808 18400 93 1 1 . 1 1 19 19 THR N N 19 107.308 107.308 113.217 -5.909 18400 94 1 1 . 1 1 19 19 THR HA H 19 5.662 5.662 4.831 0.831 18400 95 1 1 . 1 1 19 19 THR C C 19 175.135 175.135 174.075 1.060 18400 96 1 1 . 1 1 19 19 THR CA C 19 59.541 59.541 62.326 -2.785 18400 97 1 1 . 1 1 19 19 THR CB C 19 72.571 72.571 69.277 3.294 18400 98 1 1 . 1 1 19 19 THR H H 19 8.023 8.023 8.341 -0.318 18400 99 1 1 . 1 1 20 20 TRP N N 20 120.113 120.113 126.965 -6.852 18400 100 1 1 . 1 1 20 20 TRP HA H 20 5.793 5.793 4.506 1.287 18400 101 1 1 . 1 1 20 20 TRP CA C 20 55.233 55.233 57.001 -1.768 18400 102 1 1 . 1 1 20 20 TRP CB C 20 33.193 33.193 30.943 2.250 18400 103 1 1 . 1 1 20 20 TRP H H 20 9.317 9.317 8.279 1.038 18400 104 1 1 . 1 1 21 21 THR HA H 21 4.280 4.280 4.456 -0.176 18400 105 1 1 . 1 1 21 21 THR CA C 21 62.844 62.844 61.492 1.353 18400 106 1 1 . 1 1 21 21 THR CB C 21 70.918 70.918 70.661 0.257 18400 107 1 1 . 1 1 21 21 THR H H 21 8.449 8.449 7.787 0.662 18400 108 1 1 . 1 1 22 22 GLY C C 22 172.841 172.841 173.191 -0.350 18400 109 1 1 . 1 1 22 22 GLY CA C 22 44.229 44.229 44.394 -0.165 18400 110 1 1 . 1 1 22 22 GLY H H 22 7.928 7.928 7.344 0.584 18400 111 1 1 . 1 1 23 23 GLN N N 23 117.973 117.973 120.529 -2.556 18400 112 1 1 . 1 1 23 23 GLN HA H 23 4.533 4.533 4.068 0.465 18400 113 1 1 . 1 1 23 23 GLN C C 23 176.979 176.979 176.230 0.749 18400 114 1 1 . 1 1 23 23 GLN CA C 23 54.099 54.099 58.218 -4.120 18400 115 1 1 . 1 1 23 23 GLN CB C 23 30.565 30.565 29.195 1.370 18400 116 1 1 . 1 1 23 23 GLN H H 23 7.141 7.141 6.980 0.161 18400 117 1 1 . 1 1 24 24 GLY N N 24 111.998 111.998 105.584 6.414 18400 118 1 1 . 1 1 24 24 GLY C C 24 174.510 174.510 173.373 1.137 18400 119 1 1 . 1 1 24 24 GLY CA C 24 44.906 44.906 45.499 -0.593 18400 120 1 1 . 1 1 24 24 GLY H H 24 8.841 8.841 8.324 0.517 18400 121 1 1 . 1 1 25 25 ARG N N 25 121.958 121.958 124.051 -2.093 18400 122 1 1 . 1 1 25 25 ARG HA H 25 4.179 4.179 4.449 -0.270 18400 123 1 1 . 1 1 25 25 ARG C C 25 177.025 177.025 175.220 1.805 18400 124 1 1 . 1 1 25 25 ARG CA C 25 56.285 56.285 56.678 -0.393 18400 125 1 1 . 1 1 25 25 ARG CB C 25 29.885 29.885 30.215 -0.330 18400 126 1 1 . 1 1 25 25 ARG H H 25 8.444 8.444 8.454 -0.010 18400 127 1 1 . 1 1 26 26 THR N N 26 122.468 122.468 119.355 3.113 18400 128 1 1 . 1 1 26 26 THR HA H 26 3.226 3.226 4.780 -1.554 18400 129 1 1 . 1 1 26 26 THR CA C 26 60.422 60.422 59.289 1.133 18400 130 1 1 . 1 1 26 26 THR CB C 26 69.088 69.088 69.022 0.066 18400 131 1 1 . 1 1 26 26 THR H H 26 8.369 8.369 8.370 -0.001 18400 132 1 1 . 1 1 27 27 PRO HA H 27 3.867 3.867 4.165 -0.298 18400 133 1 1 . 1 1 27 27 PRO C C 27 177.571 177.571 178.245 -0.674 18400 134 1 1 . 1 1 27 27 PRO CA C 27 62.174 62.174 62.879 -0.705 18400 135 1 1 . 1 1 27 27 PRO CB C 27 32.818 32.818 31.957 0.861 18400 136 1 1 . 1 1 28 28 LYS N N 28 126.298 126.298 121.533 4.765 18400 137 1 1 . 1 1 28 28 LYS HA H 28 3.925 3.925 3.992 -0.067 18400 138 1 1 . 1 1 28 28 LYS CA C 28 60.815 60.815 60.739 0.076 18400 139 1 1 . 1 1 28 28 LYS H H 28 8.903 8.903 8.869 0.034 18400 140 1 1 . 1 1 29 29 PRO HA H 29 4.289 4.289 4.277 0.012 18400 141 1 1 . 1 1 29 29 PRO C C 29 180.695 180.695 178.872 1.823 18400 142 1 1 . 1 1 29 29 PRO CA C 29 65.875 65.875 65.455 0.420 18400 143 1 1 . 1 1 29 29 PRO CB C 29 31.770 31.770 31.045 0.725 18400 144 1 1 . 1 1 30 30 ILE N N 30 114.387 114.387 118.142 -3.755 18400 145 1 1 . 1 1 30 30 ILE HA H 30 3.021 3.021 4.048 -1.027 18400 146 1 1 . 1 1 30 30 ILE C C 30 176.633 176.633 178.152 -1.519 18400 147 1 1 . 1 1 30 30 ILE CA C 30 63.949 63.949 63.919 0.031 18400 148 1 1 . 1 1 30 30 ILE CB C 30 36.650 36.650 36.792 -0.142 18400 149 1 1 . 1 1 30 30 ILE H H 30 6.051 6.051 7.950 -1.899 18400 150 1 1 . 1 1 31 31 ALA N N 31 123.060 123.060 122.335 0.725 18400 151 1 1 . 1 1 31 31 ALA HA H 31 3.720 3.720 3.990 -0.270 18400 152 1 1 . 1 1 31 31 ALA C C 31 181.571 181.571 179.599 1.972 18400 153 1 1 . 1 1 31 31 ALA CA C 31 55.456 55.456 55.793 -0.337 18400 154 1 1 . 1 1 31 31 ALA CB C 31 17.825 17.825 17.860 -0.035 18400 155 1 1 . 1 1 31 31 ALA H H 31 7.922 7.922 8.838 -0.916 18400 156 1 1 . 1 1 32 32 GLN N N 32 117.568 117.568 119.415 -1.847 18400 157 1 1 . 1 1 32 32 GLN HA H 32 3.934 3.934 4.073 -0.139 18400 158 1 1 . 1 1 32 32 GLN C C 32 178.025 178.025 177.963 0.062 18400 159 1 1 . 1 1 32 32 GLN CA C 32 58.424 58.424 58.831 -0.407 18400 160 1 1 . 1 1 32 32 GLN CB C 32 28.285 28.285 28.595 -0.309 18400 161 1 1 . 1 1 32 32 GLN H H 32 8.438 8.438 7.867 0.571 18400 162 1 1 . 1 1 33 33 ALA N N 33 121.972 121.972 122.665 -0.693 18400 163 1 1 . 1 1 33 33 ALA HA H 33 4.282 4.282 4.139 0.143 18400 164 1 1 . 1 1 33 33 ALA C C 33 181.426 181.426 179.792 1.634 18400 165 1 1 . 1 1 33 33 ALA CA C 33 55.082 55.082 55.090 -0.008 18400 166 1 1 . 1 1 33 33 ALA CB C 33 18.720 18.720 18.620 0.100 18400 167 1 1 . 1 1 33 33 ALA H H 33 7.099 7.099 7.483 -0.384 18400 168 1 1 . 1 1 34 34 LEU N N 34 119.898 119.898 119.069 0.829 18400 169 1 1 . 1 1 34 34 LEU HA H 34 4.297 4.297 4.622 -0.325 18400 170 1 1 . 1 1 34 34 LEU C C 34 182.198 182.198 180.167 2.031 18400 171 1 1 . 1 1 34 34 LEU CA C 34 57.310 57.310 56.874 0.436 18400 172 1 1 . 1 1 34 34 LEU CB C 34 40.490 40.490 42.233 -1.743 18400 173 1 1 . 1 1 34 34 LEU H H 34 8.538 8.538 8.771 -0.233 18400 174 1 1 . 1 1 35 35 ALA N N 35 122.660 122.660 122.139 0.521 18400 175 1 1 . 1 1 35 35 ALA HA H 35 4.222 4.222 4.088 0.134 18400 176 1 1 . 1 1 35 35 ALA C C 35 179.762 179.762 179.246 0.516 18400 177 1 1 . 1 1 35 35 ALA CA C 35 54.226 54.226 54.683 -0.457 18400 178 1 1 . 1 1 35 35 ALA CB C 35 17.744 17.744 18.286 -0.542 18400 179 1 1 . 1 1 35 35 ALA H H 35 7.741 7.741 8.482 -0.741 18400 180 1 1 . 1 1 36 36 GLU N N 36 116.640 116.640 117.065 -0.425 18400 181 1 1 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.279 0.124 18400 182 1 1 . 1 1 36 36 GLU C C 36 177.531 177.531 177.347 0.184 18400 183 1 1 . 1 1 36 36 GLU CA C 36 55.856 55.856 56.707 -0.851 18400 184 1 1 . 1 1 36 36 GLU CB C 36 29.741 29.741 29.982 -0.241 18400 185 1 1 . 1 1 36 36 GLU H H 36 7.496 7.496 7.733 -0.237 18400 186 1 1 . 1 1 37 37 GLY N N 37 106.885 106.885 105.370 1.515 18400 187 1 1 . 1 1 37 37 GLY C C 37 176.072 176.072 174.494 1.578 18400 188 1 1 . 1 1 37 37 GLY CA C 37 45.369 45.369 44.928 0.441 18400 189 1 1 . 1 1 37 37 GLY H H 37 7.802 7.802 8.022 -0.220 18400 190 1 1 . 1 1 38 38 LYS N N 38 120.419 120.419 120.871 -0.452 18400 191 1 1 . 1 1 38 38 LYS HA H 38 4.479 4.479 4.489 -0.010 18400 192 1 1 . 1 1 38 38 LYS C C 38 174.921 174.921 175.607 -0.686 18400 193 1 1 . 1 1 38 38 LYS CA C 38 55.927 55.927 55.311 0.616 18400 194 1 1 . 1 1 38 38 LYS CB C 38 31.850 31.850 33.327 -1.477 18400 195 1 1 . 1 1 38 38 LYS H H 38 7.935 7.935 7.375 0.560 18400 196 1 1 . 1 1 39 39 SER N N 39 114.172 114.172 114.640 -0.468 18400 197 1 1 . 1 1 39 39 SER HA H 39 4.812 4.812 4.513 0.299 18400 198 1 1 . 1 1 39 39 SER C C 39 176.690 176.690 175.879 0.811 18400 199 1 1 . 1 1 39 39 SER CA C 39 56.473 56.473 56.541 -0.068 18400 200 1 1 . 1 1 39 39 SER CB C 39 65.933 65.933 64.114 1.819 18400 201 1 1 . 1 1 39 39 SER H H 39 8.579 8.579 8.634 -0.055 18400 202 1 1 . 1 1 40 40 LEU N N 40 126.212 126.212 122.404 3.808 18400 203 1 1 . 1 1 40 40 LEU HA H 40 4.201 4.201 4.039 0.162 18400 204 1 1 . 1 1 40 40 LEU C C 40 179.329 179.329 177.695 1.634 18400 205 1 1 . 1 1 40 40 LEU CA C 40 58.049 58.049 56.113 1.936 18400 206 1 1 . 1 1 40 40 LEU CB C 40 41.038 41.038 40.946 0.092 18400 207 1 1 . 1 1 40 40 LEU H H 40 9.038 9.038 8.937 0.101 18400 208 1 1 . 1 1 41 41 ASP N N 41 115.700 115.700 118.693 -2.993 18400 209 1 1 . 1 1 41 41 ASP HA H 41 4.580 4.580 3.998 0.582 18400 210 1 1 . 1 1 41 41 ASP C C 41 179.063 179.063 178.131 0.932 18400 211 1 1 . 1 1 41 41 ASP CA C 41 56.353 56.353 56.322 0.031 18400 212 1 1 . 1 1 41 41 ASP CB C 41 40.217 40.217 39.611 0.606 18400 213 1 1 . 1 1 41 41 ASP H H 41 8.217 8.217 8.291 -0.074 18400 214 1 1 . 1 1 42 42 ASP N N 42 119.466 119.466 120.286 -0.820 18400 215 1 1 . 1 1 42 42 ASP HA H 42 4.422 4.422 4.438 -0.016 18400 216 1 1 . 1 1 42 42 ASP C C 42 177.484 177.484 177.250 0.234 18400 217 1 1 . 1 1 42 42 ASP CB C 42 40.234 40.234 40.851 -0.617 18400 218 1 1 . 1 1 42 42 ASP H H 42 7.959 7.959 7.585 0.374 18400 219 1 1 . 1 1 43 43 PHE N N 43 117.109 117.109 116.235 0.874 18400 220 1 1 . 1 1 43 43 PHE HA H 43 4.873 4.873 4.693 0.180 18400 221 1 1 . 1 1 43 43 PHE C C 43 175.641 175.641 174.936 0.705 18400 222 1 1 . 1 1 43 43 PHE CA C 43 58.196 58.196 55.380 2.816 18400 223 1 1 . 1 1 43 43 PHE CB C 43 39.344 39.344 38.407 0.937 18400 224 1 1 . 1 1 43 43 PHE H H 43 8.320 8.320 7.532 0.788 18400 225 1 1 . 1 1 44 44 LEU N N 44 122.188 122.188 119.509 2.679 18400 226 1 1 . 1 1 44 44 LEU HA H 44 4.428 4.428 4.215 0.213 18400 227 1 1 . 1 1 44 44 LEU C C 44 178.294 178.294 177.018 1.276 18400 228 1 1 . 1 1 44 44 LEU CA C 44 56.434 56.434 55.276 1.158 18400 229 1 1 . 1 1 44 44 LEU CB C 44 42.835 42.835 41.551 1.284 18400 230 1 1 . 1 1 44 44 LEU H H 44 7.387 7.387 7.070 0.317 18400 231 1 2 . 1 1 2 2 GLN N N 2 122.420 122.420 119.947 2.473 18400 232 1 2 . 1 1 2 2 GLN HA H 2 4.665 4.665 4.525 0.140 18400 233 1 2 . 1 1 2 2 GLN CA C 2 53.740 53.740 54.117 -0.376 18400 234 1 2 . 1 1 2 2 GLN CB C 2 28.509 28.509 29.074 -0.565 18400 235 1 2 . 1 1 2 2 GLN H H 2 8.573 8.573 7.875 0.698 18400 236 1 2 . 1 1 3 3 PRO HA H 3 4.464 4.464 4.439 0.025 18400 237 1 2 . 1 1 3 3 PRO C C 3 177.173 177.173 176.172 1.001 18400 238 1 2 . 1 1 3 3 PRO CA C 3 62.946 62.946 62.258 0.688 18400 239 1 2 . 1 1 3 3 PRO CB C 3 32.109 32.109 32.618 -0.509 18400 240 1 2 . 1 1 4 4 ARG N N 4 122.684 122.684 120.567 2.117 18400 241 1 2 . 1 1 4 4 ARG HA H 4 4.578 4.578 4.211 0.367 18400 242 1 2 . 1 1 4 4 ARG CA C 4 53.646 53.646 55.697 -2.051 18400 243 1 2 . 1 1 4 4 ARG CB C 4 29.634 29.634 29.412 0.222 18400 244 1 2 . 1 1 4 4 ARG H H 4 8.438 8.438 8.468 -0.030 18400 245 1 2 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.550 -0.150 18400 246 1 2 . 1 1 5 5 PRO C C 5 177.137 177.137 175.783 1.354 18400 247 1 2 . 1 1 5 5 PRO CA C 5 62.490 62.490 62.455 0.035 18400 248 1 2 . 1 1 5 5 PRO CB C 5 31.928 31.928 32.268 -0.340 18400 249 1 2 . 1 1 6 6 ALA N N 6 123.540 123.540 126.518 -2.978 18400 250 1 2 . 1 1 6 6 ALA HA H 6 3.919 3.919 4.324 -0.405 18400 251 1 2 . 1 1 6 6 ALA C C 6 176.845 176.845 176.052 0.793 18400 252 1 2 . 1 1 6 6 ALA CA C 6 53.270 53.270 51.116 2.154 18400 253 1 2 . 1 1 6 6 ALA CB C 6 19.045 19.045 20.039 -0.994 18400 254 1 2 . 1 1 6 6 ALA H H 6 8.360 8.360 8.017 0.343 18400 255 1 2 . 1 1 7 7 LYS N N 7 121.074 121.074 120.196 0.878 18400 256 1 2 . 1 1 7 7 LYS HA H 7 4.306 4.306 4.389 -0.083 18400 257 1 2 . 1 1 7 7 LYS C C 7 175.113 175.113 174.266 0.847 18400 258 1 2 . 1 1 7 7 LYS CA C 7 56.621 56.621 55.753 0.868 18400 259 1 2 . 1 1 7 7 LYS CB C 7 36.158 36.158 32.990 3.168 18400 260 1 2 . 1 1 7 7 LYS H H 7 7.691 7.691 7.825 -0.134 18400 261 1 2 . 1 1 8 8 TYR N N 8 117.325 117.325 121.263 -3.938 18400 262 1 2 . 1 1 8 8 TYR HA H 8 5.660 5.660 4.690 0.970 18400 263 1 2 . 1 1 8 8 TYR C C 8 175.278 175.278 174.261 1.017 18400 264 1 2 . 1 1 8 8 TYR CA C 8 56.011 56.011 56.395 -0.384 18400 265 1 2 . 1 1 8 8 TYR CB C 8 42.531 42.531 42.795 -0.264 18400 266 1 2 . 1 1 8 8 TYR H H 8 8.349 8.349 8.234 0.115 18400 267 1 2 . 1 1 9 9 LYS N N 9 120.812 120.812 122.390 -1.578 18400 268 1 2 . 1 1 9 9 LYS HA H 9 5.647 5.647 4.914 0.733 18400 269 1 2 . 1 1 9 9 LYS C C 9 174.978 174.978 175.146 -0.168 18400 270 1 2 . 1 1 9 9 LYS CA C 9 54.767 54.767 55.888 -1.121 18400 271 1 2 . 1 1 9 9 LYS CB C 9 36.033 36.033 34.583 1.450 18400 272 1 2 . 1 1 9 9 LYS H H 9 9.648 9.648 8.961 0.687 18400 273 1 2 . 1 1 10 10 PHE N N 10 118.595 118.595 124.907 -6.312 18400 274 1 2 . 1 1 10 10 PHE HA H 10 5.220 5.220 4.915 0.305 18400 275 1 2 . 1 1 10 10 PHE C C 10 172.698 172.698 172.322 0.376 18400 276 1 2 . 1 1 10 10 PHE CA C 10 55.854 55.854 56.567 -0.713 18400 277 1 2 . 1 1 10 10 PHE CB C 10 40.607 40.607 42.028 -1.421 18400 278 1 2 . 1 1 10 10 PHE H H 10 8.890 8.890 8.467 0.423 18400 279 1 2 . 1 1 11 11 THR N N 11 117.249 117.249 117.576 -0.327 18400 280 1 2 . 1 1 11 11 THR HA H 11 4.745 4.745 4.350 0.395 18400 281 1 2 . 1 1 11 11 THR C C 11 175.071 175.071 172.807 2.264 18400 282 1 2 . 1 1 11 11 THR CA C 11 61.667 61.667 60.672 0.995 18400 283 1 2 . 1 1 11 11 THR CB C 11 69.324 69.324 69.897 -0.573 18400 284 1 2 . 1 1 11 11 THR H H 11 8.904 8.904 7.661 1.243 18400 285 1 2 . 1 1 12 12 ASP N N 12 127.813 127.813 126.247 1.566 18400 286 1 2 . 1 1 12 12 ASP HA H 12 4.903 4.903 4.077 0.826 18400 287 1 2 . 1 1 12 12 ASP C C 12 179.041 179.041 177.127 1.914 18400 288 1 2 . 1 1 12 12 ASP CA C 12 52.773 52.773 55.013 -2.240 18400 289 1 2 . 1 1 12 12 ASP CB C 12 38.879 38.879 41.317 -2.438 18400 290 1 2 . 1 1 12 12 ASP H H 12 8.993 8.993 7.959 1.034 18400 291 1 2 . 1 1 13 13 VAL N N 13 117.388 117.388 119.601 -2.213 18400 292 1 2 . 1 1 13 13 VAL HA H 13 3.990 3.990 3.823 0.167 18400 293 1 2 . 1 1 13 13 VAL C C 13 176.796 176.796 175.955 0.841 18400 294 1 2 . 1 1 13 13 VAL CA C 13 64.349 64.349 63.998 0.351 18400 295 1 2 . 1 1 13 13 VAL CB C 13 31.652 31.652 31.673 -0.021 18400 296 1 2 . 1 1 13 13 VAL H H 13 8.950 8.950 8.541 0.409 18400 297 1 2 . 1 1 14 14 ASN N N 14 117.303 117.303 116.868 0.435 18400 298 1 2 . 1 1 14 14 ASN HA H 14 4.781 4.781 4.686 0.095 18400 299 1 2 . 1 1 14 14 ASN C C 14 176.606 176.606 175.379 1.227 18400 300 1 2 . 1 1 14 14 ASN CB C 14 38.851 38.851 39.072 -0.221 18400 301 1 2 . 1 1 14 14 ASN H H 14 8.011 8.011 8.166 -0.155 18400 302 1 2 . 1 1 15 15 GLY N N 15 108.443 108.443 107.947 0.496 18400 303 1 2 . 1 1 15 15 GLY C C 15 174.799 174.799 173.523 1.276 18400 304 1 2 . 1 1 15 15 GLY CA C 15 45.246 45.246 44.899 0.347 18400 305 1 2 . 1 1 15 15 GLY H H 15 8.288 8.288 7.510 0.778 18400 306 1 2 . 1 1 16 16 GLU N N 16 122.005 122.005 119.749 2.256 18400 307 1 2 . 1 1 16 16 GLU HA H 16 4.373 4.373 4.375 -0.002 18400 308 1 2 . 1 1 16 16 GLU C C 16 176.564 176.564 175.354 1.210 18400 309 1 2 . 1 1 16 16 GLU CA C 16 55.798 55.798 56.616 -0.818 18400 310 1 2 . 1 1 16 16 GLU CB C 16 30.932 30.932 30.028 0.904 18400 311 1 2 . 1 1 16 16 GLU H H 16 8.045 8.045 8.039 0.006 18400 312 1 2 . 1 1 17 17 THR N N 17 120.458 120.458 115.063 5.395 18400 313 1 2 . 1 1 17 17 THR HA H 17 4.583 4.583 4.983 -0.400 18400 314 1 2 . 1 1 17 17 THR C C 17 174.583 174.583 173.525 1.058 18400 315 1 2 . 1 1 17 17 THR CA C 17 63.471 63.471 61.364 2.107 18400 316 1 2 . 1 1 17 17 THR CB C 17 69.004 69.004 69.535 -0.531 18400 317 1 2 . 1 1 17 17 THR H H 17 8.758 8.758 8.355 0.403 18400 318 1 2 . 1 1 18 18 LYS N N 18 129.000 129.000 125.076 3.924 18400 319 1 2 . 1 1 18 18 LYS HA H 18 4.581 4.581 4.843 -0.262 18400 320 1 2 . 1 1 18 18 LYS C C 18 174.995 174.995 174.868 0.127 18400 321 1 2 . 1 1 18 18 LYS CB C 18 36.219 36.219 36.398 -0.179 18400 322 1 2 . 1 1 18 18 LYS H H 18 8.848 8.848 8.378 0.470 18400 323 1 2 . 1 1 19 19 THR N N 19 107.308 107.308 112.619 -5.311 18400 324 1 2 . 1 1 19 19 THR HA H 19 5.662 5.662 4.832 0.830 18400 325 1 2 . 1 1 19 19 THR C C 19 175.135 175.135 174.032 1.103 18400 326 1 2 . 1 1 19 19 THR CA C 19 59.541 59.541 62.316 -2.775 18400 327 1 2 . 1 1 19 19 THR CB C 19 72.571 72.571 69.389 3.182 18400 328 1 2 . 1 1 19 19 THR H H 19 8.023 8.023 8.307 -0.284 18400 329 1 2 . 1 1 20 20 TRP N N 20 120.113 120.113 127.412 -7.299 18400 330 1 2 . 1 1 20 20 TRP HA H 20 5.793 5.793 4.530 1.263 18400 331 1 2 . 1 1 20 20 TRP CA C 20 55.233 55.233 56.985 -1.752 18400 332 1 2 . 1 1 20 20 TRP CB C 20 33.193 33.193 31.400 1.793 18400 333 1 2 . 1 1 20 20 TRP H H 20 9.317 9.317 8.376 0.941 18400 334 1 2 . 1 1 21 21 THR HA H 21 4.280 4.280 4.379 -0.099 18400 335 1 2 . 1 1 21 21 THR CA C 21 62.844 62.844 61.963 0.881 18400 336 1 2 . 1 1 21 21 THR CB C 21 70.918 70.918 70.441 0.477 18400 337 1 2 . 1 1 21 21 THR H H 21 8.449 8.449 7.772 0.677 18400 338 1 2 . 1 1 22 22 GLY C C 22 172.841 172.841 172.767 0.074 18400 339 1 2 . 1 1 22 22 GLY CA C 22 44.229 44.229 44.490 -0.261 18400 340 1 2 . 1 1 22 22 GLY H H 22 7.928 7.928 7.604 0.324 18400 341 1 2 . 1 1 23 23 GLN N N 23 117.973 117.973 119.828 -1.855 18400 342 1 2 . 1 1 23 23 GLN HA H 23 4.533 4.533 3.973 0.560 18400 343 1 2 . 1 1 23 23 GLN C C 23 176.979 176.979 175.986 0.993 18400 344 1 2 . 1 1 23 23 GLN CA C 23 54.099 54.099 57.852 -3.753 18400 345 1 2 . 1 1 23 23 GLN CB C 23 30.565 30.565 29.463 1.102 18400 346 1 2 . 1 1 23 23 GLN H H 23 7.141 7.141 6.798 0.343 18400 347 1 2 . 1 1 24 24 GLY N N 24 111.998 111.998 105.043 6.955 18400 348 1 2 . 1 1 24 24 GLY C C 24 174.510 174.510 173.228 1.282 18400 349 1 2 . 1 1 24 24 GLY CA C 24 44.906 44.906 45.316 -0.410 18400 350 1 2 . 1 1 24 24 GLY H H 24 8.841 8.841 8.675 0.166 18400 351 1 2 . 1 1 25 25 ARG N N 25 121.958 121.958 123.840 -1.882 18400 352 1 2 . 1 1 25 25 ARG HA H 25 4.179 4.179 4.381 -0.202 18400 353 1 2 . 1 1 25 25 ARG C C 25 177.025 177.025 175.763 1.262 18400 354 1 2 . 1 1 25 25 ARG CA C 25 56.285 56.285 56.794 -0.509 18400 355 1 2 . 1 1 25 25 ARG CB C 25 29.885 29.885 30.378 -0.493 18400 356 1 2 . 1 1 25 25 ARG H H 25 8.444 8.444 8.285 0.159 18400 357 1 2 . 1 1 26 26 THR N N 26 122.468 122.468 119.445 3.023 18400 358 1 2 . 1 1 26 26 THR HA H 26 3.226 3.226 4.727 -1.501 18400 359 1 2 . 1 1 26 26 THR CA C 26 60.422 60.422 58.908 1.514 18400 360 1 2 . 1 1 26 26 THR CB C 26 69.088 69.088 68.540 0.548 18400 361 1 2 . 1 1 26 26 THR H H 26 8.369 8.369 8.373 -0.004 18400 362 1 2 . 1 1 27 27 PRO HA H 27 3.867 3.867 4.205 -0.338 18400 363 1 2 . 1 1 27 27 PRO C C 27 177.571 177.571 178.200 -0.629 18400 364 1 2 . 1 1 27 27 PRO CA C 27 62.174 62.174 62.936 -0.762 18400 365 1 2 . 1 1 27 27 PRO CB C 27 32.818 32.818 31.908 0.910 18400 366 1 2 . 1 1 28 28 LYS N N 28 126.298 126.298 121.617 4.681 18400 367 1 2 . 1 1 28 28 LYS HA H 28 3.925 3.925 3.990 -0.065 18400 368 1 2 . 1 1 28 28 LYS CA C 28 60.815 60.815 60.815 -0.000 18400 369 1 2 . 1 1 28 28 LYS H H 28 8.903 8.903 8.848 0.055 18400 370 1 2 . 1 1 29 29 PRO HA H 29 4.289 4.289 4.429 -0.140 18400 371 1 2 . 1 1 29 29 PRO C C 29 180.695 180.695 179.037 1.658 18400 372 1 2 . 1 1 29 29 PRO CA C 29 65.875 65.875 65.442 0.433 18400 373 1 2 . 1 1 29 29 PRO CB C 29 31.770 31.770 31.299 0.471 18400 374 1 2 . 1 1 30 30 ILE N N 30 114.387 114.387 118.057 -3.670 18400 375 1 2 . 1 1 30 30 ILE HA H 30 3.021 3.021 4.035 -1.014 18400 376 1 2 . 1 1 30 30 ILE C C 30 176.633 176.633 178.135 -1.502 18400 377 1 2 . 1 1 30 30 ILE CA C 30 63.949 63.949 63.971 -0.022 18400 378 1 2 . 1 1 30 30 ILE CB C 30 36.650 36.650 36.774 -0.124 18400 379 1 2 . 1 1 30 30 ILE H H 30 6.051 6.051 7.963 -1.912 18400 380 1 2 . 1 1 31 31 ALA N N 31 123.060 123.060 122.287 0.773 18400 381 1 2 . 1 1 31 31 ALA HA H 31 3.720 3.720 3.971 -0.251 18400 382 1 2 . 1 1 31 31 ALA C C 31 181.571 181.571 179.743 1.828 18400 383 1 2 . 1 1 31 31 ALA CA C 31 55.456 55.456 55.900 -0.444 18400 384 1 2 . 1 1 31 31 ALA CB C 31 17.825 17.825 17.881 -0.056 18400 385 1 2 . 1 1 31 31 ALA H H 31 7.922 7.922 8.856 -0.934 18400 386 1 2 . 1 1 32 32 GLN N N 32 117.568 117.568 118.730 -1.162 18400 387 1 2 . 1 1 32 32 GLN HA H 32 3.934 3.934 3.995 -0.061 18400 388 1 2 . 1 1 32 32 GLN C C 32 178.025 178.025 178.514 -0.489 18400 389 1 2 . 1 1 32 32 GLN CA C 32 58.424 58.424 58.822 -0.398 18400 390 1 2 . 1 1 32 32 GLN CB C 32 28.285 28.285 28.542 -0.257 18400 391 1 2 . 1 1 32 32 GLN H H 32 8.438 8.438 7.885 0.553 18400 392 1 2 . 1 1 33 33 ALA N N 33 121.972 121.972 122.757 -0.785 18400 393 1 2 . 1 1 33 33 ALA HA H 33 4.282 4.282 4.171 0.111 18400 394 1 2 . 1 1 33 33 ALA C C 33 181.426 181.426 179.640 1.786 18400 395 1 2 . 1 1 33 33 ALA CA C 33 55.082 55.082 55.023 0.059 18400 396 1 2 . 1 1 33 33 ALA CB C 33 18.720 18.720 18.555 0.165 18400 397 1 2 . 1 1 33 33 ALA H H 33 7.099 7.099 7.490 -0.391 18400 398 1 2 . 1 1 34 34 LEU N N 34 119.898 119.898 119.307 0.591 18400 399 1 2 . 1 1 34 34 LEU HA H 34 4.297 4.297 4.608 -0.311 18400 400 1 2 . 1 1 34 34 LEU C C 34 182.198 182.198 180.171 2.027 18400 401 1 2 . 1 1 34 34 LEU CA C 34 57.310 57.310 57.019 0.291 18400 402 1 2 . 1 1 34 34 LEU CB C 34 40.490 40.490 42.219 -1.729 18400 403 1 2 . 1 1 34 34 LEU H H 34 8.538 8.538 8.752 -0.214 18400 404 1 2 . 1 1 35 35 ALA N N 35 122.660 122.660 121.619 1.041 18400 405 1 2 . 1 1 35 35 ALA HA H 35 4.222 4.222 4.097 0.125 18400 406 1 2 . 1 1 35 35 ALA C C 35 179.762 179.762 179.109 0.653 18400 407 1 2 . 1 1 35 35 ALA CA C 35 54.226 54.226 54.668 -0.442 18400 408 1 2 . 1 1 35 35 ALA CB C 35 17.744 17.744 18.189 -0.446 18400 409 1 2 . 1 1 35 35 ALA H H 35 7.741 7.741 8.512 -0.771 18400 410 1 2 . 1 1 36 36 GLU N N 36 116.640 116.640 116.973 -0.333 18400 411 1 2 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.269 0.134 18400 412 1 2 . 1 1 36 36 GLU C C 36 177.531 177.531 177.458 0.073 18400 413 1 2 . 1 1 36 36 GLU CA C 36 55.856 55.856 56.574 -0.718 18400 414 1 2 . 1 1 36 36 GLU CB C 36 29.741 29.741 29.960 -0.220 18400 415 1 2 . 1 1 36 36 GLU H H 36 7.496 7.496 7.722 -0.226 18400 416 1 2 . 1 1 37 37 GLY N N 37 106.885 106.885 106.504 0.381 18400 417 1 2 . 1 1 37 37 GLY C C 37 176.072 176.072 174.503 1.569 18400 418 1 2 . 1 1 37 37 GLY CA C 37 45.369 45.369 44.912 0.457 18400 419 1 2 . 1 1 37 37 GLY H H 37 7.802 7.802 8.113 -0.311 18400 420 1 2 . 1 1 38 38 LYS N N 38 120.419 120.419 121.275 -0.856 18400 421 1 2 . 1 1 38 38 LYS HA H 38 4.479 4.479 4.610 -0.131 18400 422 1 2 . 1 1 38 38 LYS C C 38 174.921 174.921 175.684 -0.763 18400 423 1 2 . 1 1 38 38 LYS CA C 38 55.927 55.927 55.074 0.853 18400 424 1 2 . 1 1 38 38 LYS CB C 38 31.850 31.850 33.546 -1.696 18400 425 1 2 . 1 1 38 38 LYS H H 38 7.935 7.935 7.529 0.406 18400 426 1 2 . 1 1 39 39 SER N N 39 114.172 114.172 114.589 -0.417 18400 427 1 2 . 1 1 39 39 SER HA H 39 4.812 4.812 4.458 0.354 18400 428 1 2 . 1 1 39 39 SER C C 39 176.690 176.690 176.241 0.449 18400 429 1 2 . 1 1 39 39 SER CA C 39 56.473 56.473 56.839 -0.366 18400 430 1 2 . 1 1 39 39 SER CB C 39 65.933 65.933 64.157 1.776 18400 431 1 2 . 1 1 39 39 SER H H 39 8.579 8.579 8.507 0.072 18400 432 1 2 . 1 1 40 40 LEU N N 40 126.212 126.212 122.721 3.491 18400 433 1 2 . 1 1 40 40 LEU HA H 40 4.201 4.201 4.050 0.151 18400 434 1 2 . 1 1 40 40 LEU C C 40 179.329 179.329 178.201 1.128 18400 435 1 2 . 1 1 40 40 LEU CA C 40 58.049 58.049 56.045 2.004 18400 436 1 2 . 1 1 40 40 LEU CB C 40 41.038 41.038 41.146 -0.108 18400 437 1 2 . 1 1 40 40 LEU H H 40 9.038 9.038 8.963 0.075 18400 438 1 2 . 1 1 41 41 ASP N N 41 115.700 115.700 118.785 -3.085 18400 439 1 2 . 1 1 41 41 ASP HA H 41 4.580 4.580 4.046 0.534 18400 440 1 2 . 1 1 41 41 ASP C C 41 179.063 179.063 178.257 0.806 18400 441 1 2 . 1 1 41 41 ASP CA C 41 56.353 56.353 57.094 -0.741 18400 442 1 2 . 1 1 41 41 ASP CB C 41 40.217 40.217 40.246 -0.029 18400 443 1 2 . 1 1 41 41 ASP H H 41 8.217 8.217 8.162 0.055 18400 444 1 2 . 1 1 42 42 ASP N N 42 119.466 119.466 119.330 0.136 18400 445 1 2 . 1 1 42 42 ASP HA H 42 4.422 4.422 4.424 -0.002 18400 446 1 2 . 1 1 42 42 ASP C C 42 177.484 177.484 177.045 0.439 18400 447 1 2 . 1 1 42 42 ASP CB C 42 40.234 40.234 40.953 -0.719 18400 448 1 2 . 1 1 42 42 ASP H H 42 7.959 7.959 7.495 0.464 18400 449 1 2 . 1 1 43 43 PHE N N 43 117.109 117.109 117.327 -0.218 18400 450 1 2 . 1 1 43 43 PHE HA H 43 4.873 4.873 4.624 0.249 18400 451 1 2 . 1 1 43 43 PHE C C 43 175.641 175.641 175.420 0.221 18400 452 1 2 . 1 1 43 43 PHE CA C 43 58.196 58.196 56.246 1.950 18400 453 1 2 . 1 1 43 43 PHE CB C 43 39.344 39.344 39.028 0.316 18400 454 1 2 . 1 1 43 43 PHE H H 43 8.320 8.320 7.423 0.897 18400 455 1 2 . 1 1 44 44 LEU N N 44 122.188 122.188 118.023 4.165 18400 456 1 2 . 1 1 44 44 LEU HA H 44 4.428 4.428 4.173 0.255 18400 457 1 2 . 1 1 44 44 LEU C C 44 178.294 178.294 177.180 1.114 18400 458 1 2 . 1 1 44 44 LEU CA C 44 56.434 56.434 55.237 1.197 18400 459 1 2 . 1 1 44 44 LEU CB C 44 42.835 42.835 41.521 1.314 18400 460 1 2 . 1 1 44 44 LEU H H 44 7.387 7.387 7.222 0.165 18400 461 1 3 . 1 1 2 2 GLN N N 2 122.420 122.420 119.932 2.488 18400 462 1 3 . 1 1 2 2 GLN HA H 2 4.665 4.665 5.093 -0.428 18400 463 1 3 . 1 1 2 2 GLN CA C 2 53.740 53.740 53.774 -0.034 18400 464 1 3 . 1 1 2 2 GLN CB C 2 28.509 28.509 29.773 -1.264 18400 465 1 3 . 1 1 2 2 GLN H H 2 8.573 8.573 7.889 0.684 18400 466 1 3 . 1 1 3 3 PRO HA H 3 4.464 4.464 4.534 -0.070 18400 467 1 3 . 1 1 3 3 PRO C C 3 177.173 177.173 176.037 1.136 18400 468 1 3 . 1 1 3 3 PRO CA C 3 62.946 62.946 61.959 0.987 18400 469 1 3 . 1 1 3 3 PRO CB C 3 32.109 32.109 32.332 -0.223 18400 470 1 3 . 1 1 4 4 ARG N N 4 122.684 122.684 120.385 2.299 18400 471 1 3 . 1 1 4 4 ARG HA H 4 4.578 4.578 4.234 0.344 18400 472 1 3 . 1 1 4 4 ARG CA C 4 53.646 53.646 55.402 -1.756 18400 473 1 3 . 1 1 4 4 ARG CB C 4 29.634 29.634 28.954 0.680 18400 474 1 3 . 1 1 4 4 ARG H H 4 8.438 8.438 8.495 -0.057 18400 475 1 3 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.525 -0.125 18400 476 1 3 . 1 1 5 5 PRO C C 5 177.137 177.137 175.829 1.308 18400 477 1 3 . 1 1 5 5 PRO CA C 5 62.490 62.490 62.355 0.135 18400 478 1 3 . 1 1 5 5 PRO CB C 5 31.928 31.928 32.314 -0.386 18400 479 1 3 . 1 1 6 6 ALA N N 6 123.540 123.540 127.032 -3.492 18400 480 1 3 . 1 1 6 6 ALA HA H 6 3.919 3.919 4.203 -0.284 18400 481 1 3 . 1 1 6 6 ALA C C 6 176.845 176.845 176.443 0.402 18400 482 1 3 . 1 1 6 6 ALA CA C 6 53.270 53.270 51.359 1.911 18400 483 1 3 . 1 1 6 6 ALA CB C 6 19.045 19.045 19.578 -0.533 18400 484 1 3 . 1 1 6 6 ALA H H 6 8.360 8.360 8.129 0.231 18400 485 1 3 . 1 1 7 7 LYS N N 7 121.074 121.074 119.831 1.243 18400 486 1 3 . 1 1 7 7 LYS HA H 7 4.306 4.306 4.280 0.026 18400 487 1 3 . 1 1 7 7 LYS C C 7 175.113 175.113 174.535 0.578 18400 488 1 3 . 1 1 7 7 LYS CA C 7 56.621 56.621 55.584 1.038 18400 489 1 3 . 1 1 7 7 LYS CB C 7 36.158 36.158 31.958 4.200 18400 490 1 3 . 1 1 7 7 LYS H H 7 7.691 7.691 7.926 -0.235 18400 491 1 3 . 1 1 8 8 TYR N N 8 117.325 117.325 121.703 -4.378 18400 492 1 3 . 1 1 8 8 TYR HA H 8 5.660 5.660 4.645 1.015 18400 493 1 3 . 1 1 8 8 TYR C C 8 175.278 175.278 174.178 1.100 18400 494 1 3 . 1 1 8 8 TYR CA C 8 56.011 56.011 56.548 -0.537 18400 495 1 3 . 1 1 8 8 TYR CB C 8 42.531 42.531 42.904 -0.373 18400 496 1 3 . 1 1 8 8 TYR H H 8 8.349 8.349 8.255 0.094 18400 497 1 3 . 1 1 9 9 LYS N N 9 120.812 120.812 122.355 -1.543 18400 498 1 3 . 1 1 9 9 LYS HA H 9 5.647 5.647 4.973 0.674 18400 499 1 3 . 1 1 9 9 LYS C C 9 174.978 174.978 175.249 -0.271 18400 500 1 3 . 1 1 9 9 LYS CA C 9 54.767 54.767 55.851 -1.084 18400 501 1 3 . 1 1 9 9 LYS CB C 9 36.033 36.033 34.527 1.506 18400 502 1 3 . 1 1 9 9 LYS H H 9 9.648 9.648 8.890 0.758 18400 503 1 3 . 1 1 10 10 PHE N N 10 118.595 118.595 124.929 -6.334 18400 504 1 3 . 1 1 10 10 PHE HA H 10 5.220 5.220 4.864 0.356 18400 505 1 3 . 1 1 10 10 PHE C C 10 172.698 172.698 172.500 0.198 18400 506 1 3 . 1 1 10 10 PHE CA C 10 55.854 55.854 56.390 -0.536 18400 507 1 3 . 1 1 10 10 PHE CB C 10 40.607 40.607 42.264 -1.657 18400 508 1 3 . 1 1 10 10 PHE H H 10 8.890 8.890 8.498 0.392 18400 509 1 3 . 1 1 11 11 THR N N 11 117.249 117.249 112.358 4.891 18400 510 1 3 . 1 1 11 11 THR HA H 11 4.745 4.745 4.365 0.380 18400 511 1 3 . 1 1 11 11 THR C C 11 175.071 175.071 173.329 1.742 18400 512 1 3 . 1 1 11 11 THR CA C 11 61.667 61.667 60.109 1.558 18400 513 1 3 . 1 1 11 11 THR CB C 11 69.324 69.324 69.800 -0.476 18400 514 1 3 . 1 1 11 11 THR H H 11 8.904 8.904 7.616 1.288 18400 515 1 3 . 1 1 12 12 ASP N N 12 127.813 127.813 126.825 0.988 18400 516 1 3 . 1 1 12 12 ASP HA H 12 4.903 4.903 4.019 0.884 18400 517 1 3 . 1 1 12 12 ASP C C 12 179.041 179.041 177.439 1.602 18400 518 1 3 . 1 1 12 12 ASP CA C 12 52.773 52.773 55.266 -2.493 18400 519 1 3 . 1 1 12 12 ASP CB C 12 38.879 38.879 41.318 -2.439 18400 520 1 3 . 1 1 12 12 ASP H H 12 8.993 8.993 8.457 0.536 18400 521 1 3 . 1 1 13 13 VAL N N 13 117.388 117.388 118.257 -0.869 18400 522 1 3 . 1 1 13 13 VAL HA H 13 3.990 3.990 3.770 0.220 18400 523 1 3 . 1 1 13 13 VAL C C 13 176.796 176.796 176.113 0.683 18400 524 1 3 . 1 1 13 13 VAL CA C 13 64.349 64.349 64.121 0.228 18400 525 1 3 . 1 1 13 13 VAL CB C 13 31.652 31.652 31.710 -0.058 18400 526 1 3 . 1 1 13 13 VAL H H 13 8.950 8.950 8.485 0.465 18400 527 1 3 . 1 1 14 14 ASN N N 14 117.303 117.303 116.257 1.046 18400 528 1 3 . 1 1 14 14 ASN HA H 14 4.781 4.781 4.594 0.187 18400 529 1 3 . 1 1 14 14 ASN C C 14 176.606 176.606 175.767 0.839 18400 530 1 3 . 1 1 14 14 ASN CB C 14 38.851 38.851 38.809 0.042 18400 531 1 3 . 1 1 14 14 ASN H H 14 8.011 8.011 8.282 -0.271 18400 532 1 3 . 1 1 15 15 GLY N N 15 108.443 108.443 108.218 0.225 18400 533 1 3 . 1 1 15 15 GLY C C 15 174.799 174.799 172.781 2.018 18400 534 1 3 . 1 1 15 15 GLY CA C 15 45.246 45.246 44.953 0.293 18400 535 1 3 . 1 1 15 15 GLY H H 15 8.288 8.288 7.409 0.879 18400 536 1 3 . 1 1 16 16 GLU N N 16 122.005 122.005 119.711 2.294 18400 537 1 3 . 1 1 16 16 GLU HA H 16 4.373 4.373 4.250 0.123 18400 538 1 3 . 1 1 16 16 GLU C C 16 176.564 176.564 175.498 1.066 18400 539 1 3 . 1 1 16 16 GLU CA C 16 55.798 55.798 56.312 -0.514 18400 540 1 3 . 1 1 16 16 GLU CB C 16 30.932 30.932 30.108 0.824 18400 541 1 3 . 1 1 16 16 GLU H H 16 8.045 8.045 8.039 0.006 18400 542 1 3 . 1 1 17 17 THR N N 17 120.458 120.458 119.176 1.282 18400 543 1 3 . 1 1 17 17 THR HA H 17 4.583 4.583 5.323 -0.740 18400 544 1 3 . 1 1 17 17 THR C C 17 174.583 174.583 174.655 -0.072 18400 545 1 3 . 1 1 17 17 THR CA C 17 63.471 63.471 61.404 2.067 18400 546 1 3 . 1 1 17 17 THR CB C 17 69.004 69.004 69.668 -0.664 18400 547 1 3 . 1 1 17 17 THR H H 17 8.758 8.758 8.322 0.436 18400 548 1 3 . 1 1 18 18 LYS N N 18 129.000 129.000 125.722 3.278 18400 549 1 3 . 1 1 18 18 LYS HA H 18 4.581 4.581 4.823 -0.242 18400 550 1 3 . 1 1 18 18 LYS C C 18 174.995 174.995 174.955 0.040 18400 551 1 3 . 1 1 18 18 LYS CB C 18 36.219 36.219 36.372 -0.153 18400 552 1 3 . 1 1 18 18 LYS H H 18 8.848 8.848 8.180 0.668 18400 553 1 3 . 1 1 19 19 THR N N 19 107.308 107.308 113.513 -6.205 18400 554 1 3 . 1 1 19 19 THR HA H 19 5.662 5.662 4.798 0.864 18400 555 1 3 . 1 1 19 19 THR C C 19 175.135 175.135 173.907 1.228 18400 556 1 3 . 1 1 19 19 THR CA C 19 59.541 59.541 62.168 -2.627 18400 557 1 3 . 1 1 19 19 THR CB C 19 72.571 72.571 69.043 3.528 18400 558 1 3 . 1 1 19 19 THR H H 19 8.023 8.023 8.327 -0.304 18400 559 1 3 . 1 1 20 20 TRP N N 20 120.113 120.113 127.073 -6.960 18400 560 1 3 . 1 1 20 20 TRP HA H 20 5.793 5.793 4.538 1.255 18400 561 1 3 . 1 1 20 20 TRP CA C 20 55.233 55.233 56.648 -1.415 18400 562 1 3 . 1 1 20 20 TRP CB C 20 33.193 33.193 30.716 2.477 18400 563 1 3 . 1 1 20 20 TRP H H 20 9.317 9.317 8.074 1.243 18400 564 1 3 . 1 1 21 21 THR HA H 21 4.280 4.280 4.238 0.042 18400 565 1 3 . 1 1 21 21 THR CA C 21 62.844 62.844 61.057 1.786 18400 566 1 3 . 1 1 21 21 THR CB C 21 70.918 70.918 69.969 0.949 18400 567 1 3 . 1 1 21 21 THR H H 21 8.449 8.449 7.428 1.021 18400 568 1 3 . 1 1 22 22 GLY C C 22 172.841 172.841 171.888 0.953 18400 569 1 3 . 1 1 22 22 GLY CA C 22 44.229 44.229 44.371 -0.142 18400 570 1 3 . 1 1 22 22 GLY H H 22 7.928 7.928 7.034 0.894 18400 571 1 3 . 1 1 23 23 GLN N N 23 117.973 117.973 124.394 -6.421 18400 572 1 3 . 1 1 23 23 GLN HA H 23 4.533 4.533 4.688 -0.155 18400 573 1 3 . 1 1 23 23 GLN C C 23 176.979 176.979 176.050 0.929 18400 574 1 3 . 1 1 23 23 GLN CA C 23 54.099 54.099 54.818 -0.719 18400 575 1 3 . 1 1 23 23 GLN CB C 23 30.565 30.565 31.511 -0.946 18400 576 1 3 . 1 1 23 23 GLN H H 23 7.141 7.141 7.812 -0.671 18400 577 1 3 . 1 1 24 24 GLY N N 24 111.998 111.998 108.477 3.521 18400 578 1 3 . 1 1 24 24 GLY C C 24 174.510 174.510 174.091 0.419 18400 579 1 3 . 1 1 24 24 GLY CA C 24 44.906 44.906 45.206 -0.300 18400 580 1 3 . 1 1 24 24 GLY H H 24 8.841 8.841 8.762 0.079 18400 581 1 3 . 1 1 25 25 ARG N N 25 121.958 121.958 121.565 0.393 18400 582 1 3 . 1 1 25 25 ARG HA H 25 4.179 4.179 4.538 -0.359 18400 583 1 3 . 1 1 25 25 ARG C C 25 177.025 177.025 175.163 1.862 18400 584 1 3 . 1 1 25 25 ARG CA C 25 56.285 56.285 55.779 0.506 18400 585 1 3 . 1 1 25 25 ARG CB C 25 29.885 29.885 30.944 -1.059 18400 586 1 3 . 1 1 25 25 ARG H H 25 8.444 8.444 8.069 0.375 18400 587 1 3 . 1 1 26 26 THR N N 26 122.468 122.468 120.072 2.396 18400 588 1 3 . 1 1 26 26 THR HA H 26 3.226 3.226 4.699 -1.473 18400 589 1 3 . 1 1 26 26 THR CA C 26 60.422 60.422 58.678 1.744 18400 590 1 3 . 1 1 26 26 THR CB C 26 69.088 69.088 68.406 0.681 18400 591 1 3 . 1 1 26 26 THR H H 26 8.369 8.369 8.487 -0.118 18400 592 1 3 . 1 1 27 27 PRO HA H 27 3.867 3.867 4.185 -0.318 18400 593 1 3 . 1 1 27 27 PRO C C 27 177.571 177.571 178.052 -0.481 18400 594 1 3 . 1 1 27 27 PRO CA C 27 62.174 62.174 63.020 -0.846 18400 595 1 3 . 1 1 27 27 PRO CB C 27 32.818 32.818 31.965 0.853 18400 596 1 3 . 1 1 28 28 LYS N N 28 126.298 126.298 121.902 4.396 18400 597 1 3 . 1 1 28 28 LYS HA H 28 3.925 3.925 3.964 -0.039 18400 598 1 3 . 1 1 28 28 LYS CA C 28 60.815 60.815 61.466 -0.651 18400 599 1 3 . 1 1 28 28 LYS H H 28 8.903 8.903 8.799 0.104 18400 600 1 3 . 1 1 29 29 PRO HA H 29 4.289 4.289 4.243 0.046 18400 601 1 3 . 1 1 29 29 PRO C C 29 180.695 180.695 178.764 1.931 18400 602 1 3 . 1 1 29 29 PRO CA C 29 65.875 65.875 65.402 0.473 18400 603 1 3 . 1 1 29 29 PRO CB C 29 31.770 31.770 31.030 0.740 18400 604 1 3 . 1 1 30 30 ILE N N 30 114.387 114.387 118.177 -3.790 18400 605 1 3 . 1 1 30 30 ILE HA H 30 3.021 3.021 3.948 -0.927 18400 606 1 3 . 1 1 30 30 ILE C C 30 176.633 176.633 178.087 -1.454 18400 607 1 3 . 1 1 30 30 ILE CA C 30 63.949 63.949 63.613 0.336 18400 608 1 3 . 1 1 30 30 ILE CB C 30 36.650 36.650 36.610 0.040 18400 609 1 3 . 1 1 30 30 ILE H H 30 6.051 6.051 7.913 -1.862 18400 610 1 3 . 1 1 31 31 ALA N N 31 123.060 123.060 122.185 0.875 18400 611 1 3 . 1 1 31 31 ALA HA H 31 3.720 3.720 3.982 -0.262 18400 612 1 3 . 1 1 31 31 ALA C C 31 181.571 181.571 179.508 2.063 18400 613 1 3 . 1 1 31 31 ALA CA C 31 55.456 55.456 55.702 -0.246 18400 614 1 3 . 1 1 31 31 ALA CB C 31 17.825 17.825 17.831 -0.006 18400 615 1 3 . 1 1 31 31 ALA H H 31 7.922 7.922 8.810 -0.888 18400 616 1 3 . 1 1 32 32 GLN N N 32 117.568 117.568 119.324 -1.756 18400 617 1 3 . 1 1 32 32 GLN HA H 32 3.934 3.934 4.052 -0.118 18400 618 1 3 . 1 1 32 32 GLN C C 32 178.025 178.025 177.933 0.092 18400 619 1 3 . 1 1 32 32 GLN CA C 32 58.424 58.424 58.798 -0.374 18400 620 1 3 . 1 1 32 32 GLN CB C 32 28.285 28.285 28.325 -0.040 18400 621 1 3 . 1 1 32 32 GLN H H 32 8.438 8.438 7.874 0.564 18400 622 1 3 . 1 1 33 33 ALA N N 33 121.972 121.972 122.580 -0.608 18400 623 1 3 . 1 1 33 33 ALA HA H 33 4.282 4.282 4.166 0.116 18400 624 1 3 . 1 1 33 33 ALA C C 33 181.426 181.426 179.828 1.598 18400 625 1 3 . 1 1 33 33 ALA CA C 33 55.082 55.082 55.191 -0.109 18400 626 1 3 . 1 1 33 33 ALA CB C 33 18.720 18.720 18.500 0.220 18400 627 1 3 . 1 1 33 33 ALA H H 33 7.099 7.099 7.491 -0.392 18400 628 1 3 . 1 1 34 34 LEU N N 34 119.898 119.898 118.620 1.278 18400 629 1 3 . 1 1 34 34 LEU HA H 34 4.297 4.297 4.164 0.133 18400 630 1 3 . 1 1 34 34 LEU C C 34 182.198 182.198 179.501 2.697 18400 631 1 3 . 1 1 34 34 LEU CA C 34 57.310 57.310 58.019 -0.709 18400 632 1 3 . 1 1 34 34 LEU CB C 34 40.490 40.490 41.748 -1.258 18400 633 1 3 . 1 1 34 34 LEU H H 34 8.538 8.538 7.946 0.592 18400 634 1 3 . 1 1 35 35 ALA N N 35 122.660 122.660 121.239 1.421 18400 635 1 3 . 1 1 35 35 ALA HA H 35 4.222 4.222 4.086 0.136 18400 636 1 3 . 1 1 35 35 ALA C C 35 179.762 179.762 179.402 0.360 18400 637 1 3 . 1 1 35 35 ALA CA C 35 54.226 54.226 54.871 -0.645 18400 638 1 3 . 1 1 35 35 ALA CB C 35 17.744 17.744 18.383 -0.639 18400 639 1 3 . 1 1 35 35 ALA H H 35 7.741 7.741 8.005 -0.264 18400 640 1 3 . 1 1 36 36 GLU N N 36 116.640 116.640 116.532 0.108 18400 641 1 3 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.396 0.007 18400 642 1 3 . 1 1 36 36 GLU C C 36 177.531 177.531 177.518 0.013 18400 643 1 3 . 1 1 36 36 GLU CA C 36 55.856 55.856 56.270 -0.414 18400 644 1 3 . 1 1 36 36 GLU CB C 36 29.741 29.741 30.227 -0.486 18400 645 1 3 . 1 1 36 36 GLU H H 36 7.496 7.496 7.859 -0.363 18400 646 1 3 . 1 1 37 37 GLY N N 37 106.885 106.885 107.671 -0.786 18400 647 1 3 . 1 1 37 37 GLY C C 37 176.072 176.072 173.812 2.260 18400 648 1 3 . 1 1 37 37 GLY CA C 37 45.369 45.369 44.768 0.601 18400 649 1 3 . 1 1 37 37 GLY H H 37 7.802 7.802 7.721 0.081 18400 650 1 3 . 1 1 38 38 LYS N N 38 120.419 120.419 122.231 -1.812 18400 651 1 3 . 1 1 38 38 LYS HA H 38 4.479 4.479 4.478 0.001 18400 652 1 3 . 1 1 38 38 LYS C C 38 174.921 174.921 175.387 -0.466 18400 653 1 3 . 1 1 38 38 LYS CA C 38 55.927 55.927 55.721 0.206 18400 654 1 3 . 1 1 38 38 LYS CB C 38 31.850 31.850 33.448 -1.598 18400 655 1 3 . 1 1 38 38 LYS H H 38 7.935 7.935 8.065 -0.130 18400 656 1 3 . 1 1 39 39 SER N N 39 114.172 114.172 118.791 -4.619 18400 657 1 3 . 1 1 39 39 SER HA H 39 4.812 4.812 4.496 0.316 18400 658 1 3 . 1 1 39 39 SER C C 39 176.690 176.690 175.320 1.370 18400 659 1 3 . 1 1 39 39 SER CA C 39 56.473 56.473 57.218 -0.745 18400 660 1 3 . 1 1 39 39 SER CB C 39 65.933 65.933 64.196 1.737 18400 661 1 3 . 1 1 39 39 SER H H 39 8.579 8.579 8.609 -0.030 18400 662 1 3 . 1 1 40 40 LEU N N 40 126.212 126.212 122.569 3.643 18400 663 1 3 . 1 1 40 40 LEU HA H 40 4.201 4.201 4.054 0.147 18400 664 1 3 . 1 1 40 40 LEU C C 40 179.329 179.329 177.529 1.800 18400 665 1 3 . 1 1 40 40 LEU CA C 40 58.049 58.049 55.899 2.150 18400 666 1 3 . 1 1 40 40 LEU CB C 40 41.038 41.038 42.001 -0.963 18400 667 1 3 . 1 1 40 40 LEU H H 40 9.038 9.038 8.855 0.183 18400 668 1 3 . 1 1 41 41 ASP N N 41 115.700 115.700 118.367 -2.667 18400 669 1 3 . 1 1 41 41 ASP HA H 41 4.580 4.580 4.089 0.491 18400 670 1 3 . 1 1 41 41 ASP C C 41 179.063 179.063 177.088 1.975 18400 671 1 3 . 1 1 41 41 ASP CA C 41 56.353 56.353 56.269 0.084 18400 672 1 3 . 1 1 41 41 ASP CB C 41 40.217 40.217 40.410 -0.194 18400 673 1 3 . 1 1 41 41 ASP H H 41 8.217 8.217 8.048 0.169 18400 674 1 3 . 1 1 42 42 ASP N N 42 119.466 119.466 118.075 1.391 18400 675 1 3 . 1 1 42 42 ASP HA H 42 4.422 4.422 4.462 -0.040 18400 676 1 3 . 1 1 42 42 ASP C C 42 177.484 177.484 176.999 0.485 18400 677 1 3 . 1 1 42 42 ASP CB C 42 40.234 40.234 41.465 -1.232 18400 678 1 3 . 1 1 42 42 ASP H H 42 7.959 7.959 7.238 0.721 18400 679 1 3 . 1 1 43 43 PHE N N 43 117.109 117.109 116.466 0.643 18400 680 1 3 . 1 1 43 43 PHE HA H 43 4.873 4.873 4.715 0.158 18400 681 1 3 . 1 1 43 43 PHE C C 43 175.641 175.641 174.511 1.130 18400 682 1 3 . 1 1 43 43 PHE CA C 43 58.196 58.196 54.583 3.613 18400 683 1 3 . 1 1 43 43 PHE CB C 43 39.344 39.344 38.230 1.114 18400 684 1 3 . 1 1 43 43 PHE H H 43 8.320 8.320 6.772 1.548 18400 685 1 3 . 1 1 44 44 LEU N N 44 122.188 122.188 119.712 2.476 18400 686 1 3 . 1 1 44 44 LEU HA H 44 4.428 4.428 4.254 0.174 18400 687 1 3 . 1 1 44 44 LEU C C 44 178.294 178.294 176.899 1.395 18400 688 1 3 . 1 1 44 44 LEU CA C 44 56.434 56.434 54.810 1.624 18400 689 1 3 . 1 1 44 44 LEU CB C 44 42.835 42.835 41.715 1.119 18400 690 1 3 . 1 1 44 44 LEU H H 44 7.387 7.387 7.230 0.157 18400 691 1 4 . 1 1 2 2 GLN N N 2 122.420 122.420 120.330 2.090 18400 692 1 4 . 1 1 2 2 GLN HA H 2 4.665 4.665 4.706 -0.041 18400 693 1 4 . 1 1 2 2 GLN CA C 2 53.740 53.740 54.032 -0.292 18400 694 1 4 . 1 1 2 2 GLN CB C 2 28.509 28.509 29.743 -1.234 18400 695 1 4 . 1 1 2 2 GLN H H 2 8.573 8.573 7.925 0.648 18400 696 1 4 . 1 1 3 3 PRO HA H 3 4.464 4.464 4.559 -0.095 18400 697 1 4 . 1 1 3 3 PRO C C 3 177.173 177.173 175.955 1.218 18400 698 1 4 . 1 1 3 3 PRO CA C 3 62.946 62.946 62.055 0.891 18400 699 1 4 . 1 1 3 3 PRO CB C 3 32.109 32.109 32.383 -0.274 18400 700 1 4 . 1 1 4 4 ARG N N 4 122.684 122.684 120.389 2.295 18400 701 1 4 . 1 1 4 4 ARG HA H 4 4.578 4.578 4.176 0.402 18400 702 1 4 . 1 1 4 4 ARG CA C 4 53.646 53.646 55.489 -1.843 18400 703 1 4 . 1 1 4 4 ARG CB C 4 29.634 29.634 28.767 0.867 18400 704 1 4 . 1 1 4 4 ARG H H 4 8.438 8.438 8.413 0.025 18400 705 1 4 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.499 -0.099 18400 706 1 4 . 1 1 5 5 PRO C C 5 177.137 177.137 175.693 1.444 18400 707 1 4 . 1 1 5 5 PRO CA C 5 62.490 62.490 62.548 -0.058 18400 708 1 4 . 1 1 5 5 PRO CB C 5 31.928 31.928 32.568 -0.640 18400 709 1 4 . 1 1 6 6 ALA N N 6 123.540 123.540 125.625 -2.085 18400 710 1 4 . 1 1 6 6 ALA HA H 6 3.919 3.919 4.354 -0.435 18400 711 1 4 . 1 1 6 6 ALA C C 6 176.845 176.845 175.924 0.921 18400 712 1 4 . 1 1 6 6 ALA CA C 6 53.270 53.270 51.083 2.187 18400 713 1 4 . 1 1 6 6 ALA CB C 6 19.045 19.045 19.757 -0.712 18400 714 1 4 . 1 1 6 6 ALA H H 6 8.360 8.360 8.136 0.224 18400 715 1 4 . 1 1 7 7 LYS N N 7 121.074 121.074 120.027 1.047 18400 716 1 4 . 1 1 7 7 LYS HA H 7 4.306 4.306 4.457 -0.151 18400 717 1 4 . 1 1 7 7 LYS C C 7 175.113 175.113 174.768 0.345 18400 718 1 4 . 1 1 7 7 LYS CA C 7 56.621 56.621 55.560 1.061 18400 719 1 4 . 1 1 7 7 LYS CB C 7 36.158 36.158 33.155 3.003 18400 720 1 4 . 1 1 7 7 LYS H H 7 7.691 7.691 8.010 -0.319 18400 721 1 4 . 1 1 8 8 TYR N N 8 117.325 117.325 121.042 -3.717 18400 722 1 4 . 1 1 8 8 TYR HA H 8 5.660 5.660 4.737 0.923 18400 723 1 4 . 1 1 8 8 TYR C C 8 175.278 175.278 174.340 0.938 18400 724 1 4 . 1 1 8 8 TYR CA C 8 56.011 56.011 55.948 0.063 18400 725 1 4 . 1 1 8 8 TYR CB C 8 42.531 42.531 42.026 0.505 18400 726 1 4 . 1 1 8 8 TYR H H 8 8.349 8.349 8.247 0.102 18400 727 1 4 . 1 1 9 9 LYS N N 9 120.812 120.812 121.787 -0.975 18400 728 1 4 . 1 1 9 9 LYS HA H 9 5.647 5.647 5.033 0.614 18400 729 1 4 . 1 1 9 9 LYS C C 9 174.978 174.978 175.372 -0.394 18400 730 1 4 . 1 1 9 9 LYS CA C 9 54.767 54.767 54.950 -0.183 18400 731 1 4 . 1 1 9 9 LYS CB C 9 36.033 36.033 34.259 1.774 18400 732 1 4 . 1 1 9 9 LYS H H 9 9.648 9.648 8.932 0.716 18400 733 1 4 . 1 1 10 10 PHE N N 10 118.595 118.595 123.883 -5.288 18400 734 1 4 . 1 1 10 10 PHE HA H 10 5.220 5.220 4.957 0.263 18400 735 1 4 . 1 1 10 10 PHE C C 10 172.698 172.698 172.397 0.301 18400 736 1 4 . 1 1 10 10 PHE CA C 10 55.854 55.854 56.267 -0.413 18400 737 1 4 . 1 1 10 10 PHE CB C 10 40.607 40.607 41.467 -0.860 18400 738 1 4 . 1 1 10 10 PHE H H 10 8.890 8.890 8.848 0.042 18400 739 1 4 . 1 1 11 11 THR N N 11 117.249 117.249 116.244 1.005 18400 740 1 4 . 1 1 11 11 THR HA H 11 4.745 4.745 4.209 0.536 18400 741 1 4 . 1 1 11 11 THR C C 11 175.071 175.071 172.631 2.440 18400 742 1 4 . 1 1 11 11 THR CA C 11 61.667 61.667 61.056 0.611 18400 743 1 4 . 1 1 11 11 THR CB C 11 69.324 69.324 68.837 0.487 18400 744 1 4 . 1 1 11 11 THR H H 11 8.904 8.904 7.762 1.142 18400 745 1 4 . 1 1 12 12 ASP N N 12 127.813 127.813 126.542 1.271 18400 746 1 4 . 1 1 12 12 ASP HA H 12 4.903 4.903 3.887 1.016 18400 747 1 4 . 1 1 12 12 ASP C C 12 179.041 179.041 177.929 1.112 18400 748 1 4 . 1 1 12 12 ASP CA C 12 52.773 52.773 54.565 -1.792 18400 749 1 4 . 1 1 12 12 ASP CB C 12 38.879 38.879 42.411 -3.532 18400 750 1 4 . 1 1 12 12 ASP H H 12 8.993 8.993 8.293 0.700 18400 751 1 4 . 1 1 13 13 VAL N N 13 117.388 117.388 120.753 -3.365 18400 752 1 4 . 1 1 13 13 VAL HA H 13 3.990 3.990 3.649 0.341 18400 753 1 4 . 1 1 13 13 VAL C C 13 176.796 176.796 175.676 1.120 18400 754 1 4 . 1 1 13 13 VAL CA C 13 64.349 64.349 64.436 -0.087 18400 755 1 4 . 1 1 13 13 VAL CB C 13 31.652 31.652 31.898 -0.245 18400 756 1 4 . 1 1 13 13 VAL H H 13 8.950 8.950 8.617 0.333 18400 757 1 4 . 1 1 14 14 ASN N N 14 117.303 117.303 115.045 2.258 18400 758 1 4 . 1 1 14 14 ASN HA H 14 4.781 4.781 4.637 0.144 18400 759 1 4 . 1 1 14 14 ASN C C 14 176.606 176.606 175.589 1.017 18400 760 1 4 . 1 1 14 14 ASN CB C 14 38.851 38.851 39.813 -0.962 18400 761 1 4 . 1 1 14 14 ASN H H 14 8.011 8.011 7.697 0.314 18400 762 1 4 . 1 1 15 15 GLY N N 15 108.443 108.443 108.066 0.377 18400 763 1 4 . 1 1 15 15 GLY C C 15 174.799 174.799 173.344 1.455 18400 764 1 4 . 1 1 15 15 GLY CA C 15 45.246 45.246 44.782 0.464 18400 765 1 4 . 1 1 15 15 GLY H H 15 8.288 8.288 7.930 0.358 18400 766 1 4 . 1 1 16 16 GLU N N 16 122.005 122.005 122.418 -0.413 18400 767 1 4 . 1 1 16 16 GLU HA H 16 4.373 4.373 4.210 0.163 18400 768 1 4 . 1 1 16 16 GLU C C 16 176.564 176.564 176.091 0.473 18400 769 1 4 . 1 1 16 16 GLU CA C 16 55.798 55.798 56.264 -0.466 18400 770 1 4 . 1 1 16 16 GLU CB C 16 30.932 30.932 29.324 1.608 18400 771 1 4 . 1 1 16 16 GLU H H 16 8.045 8.045 8.003 0.042 18400 772 1 4 . 1 1 17 17 THR N N 17 120.458 120.458 121.393 -0.935 18400 773 1 4 . 1 1 17 17 THR HA H 17 4.583 4.583 5.214 -0.631 18400 774 1 4 . 1 1 17 17 THR C C 17 174.583 174.583 174.862 -0.279 18400 775 1 4 . 1 1 17 17 THR CA C 17 63.471 63.471 61.274 2.197 18400 776 1 4 . 1 1 17 17 THR CB C 17 69.004 69.004 68.044 0.960 18400 777 1 4 . 1 1 17 17 THR H H 17 8.758 8.758 8.565 0.193 18400 778 1 4 . 1 1 18 18 LYS N N 18 129.000 129.000 125.551 3.449 18400 779 1 4 . 1 1 18 18 LYS HA H 18 4.581 4.581 4.854 -0.273 18400 780 1 4 . 1 1 18 18 LYS C C 18 174.995 174.995 174.620 0.375 18400 781 1 4 . 1 1 18 18 LYS CB C 18 36.219 36.219 36.499 -0.280 18400 782 1 4 . 1 1 18 18 LYS H H 18 8.848 8.848 7.990 0.858 18400 783 1 4 . 1 1 19 19 THR N N 19 107.308 107.308 112.570 -5.262 18400 784 1 4 . 1 1 19 19 THR HA H 19 5.662 5.662 4.800 0.862 18400 785 1 4 . 1 1 19 19 THR C C 19 175.135 175.135 173.762 1.373 18400 786 1 4 . 1 1 19 19 THR CA C 19 59.541 59.541 61.931 -2.390 18400 787 1 4 . 1 1 19 19 THR CB C 19 72.571 72.571 69.454 3.117 18400 788 1 4 . 1 1 19 19 THR H H 19 8.023 8.023 8.335 -0.312 18400 789 1 4 . 1 1 20 20 TRP N N 20 120.113 120.113 128.332 -8.219 18400 790 1 4 . 1 1 20 20 TRP HA H 20 5.793 5.793 4.543 1.250 18400 791 1 4 . 1 1 20 20 TRP CA C 20 55.233 55.233 56.960 -1.727 18400 792 1 4 . 1 1 20 20 TRP CB C 20 33.193 33.193 30.675 2.518 18400 793 1 4 . 1 1 20 20 TRP H H 20 9.317 9.317 8.488 0.829 18400 794 1 4 . 1 1 21 21 THR HA H 21 4.280 4.280 4.180 0.100 18400 795 1 4 . 1 1 21 21 THR CA C 21 62.844 62.844 61.328 1.516 18400 796 1 4 . 1 1 21 21 THR CB C 21 70.918 70.918 69.878 1.040 18400 797 1 4 . 1 1 21 21 THR H H 21 8.449 8.449 7.771 0.678 18400 798 1 4 . 1 1 22 22 GLY C C 22 172.841 172.841 173.032 -0.191 18400 799 1 4 . 1 1 22 22 GLY CA C 22 44.229 44.229 44.150 0.079 18400 800 1 4 . 1 1 22 22 GLY H H 22 7.928 7.928 7.226 0.702 18400 801 1 4 . 1 1 23 23 GLN N N 23 117.973 117.973 121.897 -3.924 18400 802 1 4 . 1 1 23 23 GLN HA H 23 4.533 4.533 4.165 0.368 18400 803 1 4 . 1 1 23 23 GLN C C 23 176.979 176.979 174.815 2.164 18400 804 1 4 . 1 1 23 23 GLN CA C 23 54.099 54.099 58.053 -3.954 18400 805 1 4 . 1 1 23 23 GLN CB C 23 30.565 30.565 29.759 0.806 18400 806 1 4 . 1 1 23 23 GLN H H 23 7.141 7.141 7.380 -0.239 18400 807 1 4 . 1 1 24 24 GLY N N 24 111.998 111.998 105.532 6.466 18400 808 1 4 . 1 1 24 24 GLY C C 24 174.510 174.510 173.864 0.646 18400 809 1 4 . 1 1 24 24 GLY CA C 24 44.906 44.906 44.651 0.255 18400 810 1 4 . 1 1 24 24 GLY H H 24 8.841 8.841 8.880 -0.039 18400 811 1 4 . 1 1 25 25 ARG N N 25 121.958 121.958 121.582 0.376 18400 812 1 4 . 1 1 25 25 ARG HA H 25 4.179 4.179 4.306 -0.127 18400 813 1 4 . 1 1 25 25 ARG C C 25 177.025 177.025 175.424 1.601 18400 814 1 4 . 1 1 25 25 ARG CA C 25 56.285 56.285 55.959 0.326 18400 815 1 4 . 1 1 25 25 ARG CB C 25 29.885 29.885 30.822 -0.937 18400 816 1 4 . 1 1 25 25 ARG H H 25 8.444 8.444 8.493 -0.049 18400 817 1 4 . 1 1 26 26 THR N N 26 122.468 122.468 119.356 3.112 18400 818 1 4 . 1 1 26 26 THR HA H 26 3.226 3.226 4.718 -1.492 18400 819 1 4 . 1 1 26 26 THR CA C 26 60.422 60.422 59.429 0.993 18400 820 1 4 . 1 1 26 26 THR CB C 26 69.088 69.088 68.976 0.112 18400 821 1 4 . 1 1 26 26 THR H H 26 8.369 8.369 8.339 0.030 18400 822 1 4 . 1 1 27 27 PRO HA H 27 3.867 3.867 4.130 -0.263 18400 823 1 4 . 1 1 27 27 PRO C C 27 177.571 177.571 178.034 -0.463 18400 824 1 4 . 1 1 27 27 PRO CA C 27 62.174 62.174 62.803 -0.629 18400 825 1 4 . 1 1 27 27 PRO CB C 27 32.818 32.818 32.063 0.755 18400 826 1 4 . 1 1 28 28 LYS N N 28 126.298 126.298 122.062 4.236 18400 827 1 4 . 1 1 28 28 LYS HA H 28 3.925 3.925 3.969 -0.044 18400 828 1 4 . 1 1 28 28 LYS CA C 28 60.815 60.815 61.801 -0.986 18400 829 1 4 . 1 1 28 28 LYS H H 28 8.903 8.903 8.838 0.065 18400 830 1 4 . 1 1 29 29 PRO HA H 29 4.289 4.289 4.231 0.058 18400 831 1 4 . 1 1 29 29 PRO C C 29 180.695 180.695 178.786 1.909 18400 832 1 4 . 1 1 29 29 PRO CA C 29 65.875 65.875 65.497 0.378 18400 833 1 4 . 1 1 29 29 PRO CB C 29 31.770 31.770 31.028 0.742 18400 834 1 4 . 1 1 30 30 ILE N N 30 114.387 114.387 118.328 -3.941 18400 835 1 4 . 1 1 30 30 ILE HA H 30 3.021 3.021 4.005 -0.984 18400 836 1 4 . 1 1 30 30 ILE C C 30 176.633 176.633 178.126 -1.493 18400 837 1 4 . 1 1 30 30 ILE CA C 30 63.949 63.949 63.379 0.570 18400 838 1 4 . 1 1 30 30 ILE CB C 30 36.650 36.650 36.653 -0.003 18400 839 1 4 . 1 1 30 30 ILE H H 30 6.051 6.051 7.977 -1.926 18400 840 1 4 . 1 1 31 31 ALA N N 31 123.060 123.060 122.504 0.556 18400 841 1 4 . 1 1 31 31 ALA HA H 31 3.720 3.720 4.003 -0.283 18400 842 1 4 . 1 1 31 31 ALA C C 31 181.571 181.571 179.635 1.936 18400 843 1 4 . 1 1 31 31 ALA CA C 31 55.456 55.456 55.779 -0.323 18400 844 1 4 . 1 1 31 31 ALA CB C 31 17.825 17.825 17.854 -0.029 18400 845 1 4 . 1 1 31 31 ALA H H 31 7.922 7.922 8.793 -0.871 18400 846 1 4 . 1 1 32 32 GLN N N 32 117.568 117.568 119.269 -1.701 18400 847 1 4 . 1 1 32 32 GLN HA H 32 3.934 3.934 4.051 -0.117 18400 848 1 4 . 1 1 32 32 GLN C C 32 178.025 178.025 177.994 0.031 18400 849 1 4 . 1 1 32 32 GLN CA C 32 58.424 58.424 58.889 -0.465 18400 850 1 4 . 1 1 32 32 GLN CB C 32 28.285 28.285 28.534 -0.249 18400 851 1 4 . 1 1 32 32 GLN H H 32 8.438 8.438 7.861 0.577 18400 852 1 4 . 1 1 33 33 ALA N N 33 121.972 121.972 122.933 -0.961 18400 853 1 4 . 1 1 33 33 ALA HA H 33 4.282 4.282 4.206 0.076 18400 854 1 4 . 1 1 33 33 ALA C C 33 181.426 181.426 180.036 1.390 18400 855 1 4 . 1 1 33 33 ALA CA C 33 55.082 55.082 55.218 -0.136 18400 856 1 4 . 1 1 33 33 ALA CB C 33 18.720 18.720 18.630 0.090 18400 857 1 4 . 1 1 33 33 ALA H H 33 7.099 7.099 7.531 -0.432 18400 858 1 4 . 1 1 34 34 LEU N N 34 119.898 119.898 118.520 1.378 18400 859 1 4 . 1 1 34 34 LEU HA H 34 4.297 4.297 4.682 -0.385 18400 860 1 4 . 1 1 34 34 LEU C C 34 182.198 182.198 180.388 1.810 18400 861 1 4 . 1 1 34 34 LEU CA C 34 57.310 57.310 57.671 -0.361 18400 862 1 4 . 1 1 34 34 LEU CB C 34 40.490 40.490 41.482 -0.992 18400 863 1 4 . 1 1 34 34 LEU H H 34 8.538 8.538 8.877 -0.339 18400 864 1 4 . 1 1 35 35 ALA N N 35 122.660 122.660 121.599 1.061 18400 865 1 4 . 1 1 35 35 ALA HA H 35 4.222 4.222 4.151 0.071 18400 866 1 4 . 1 1 35 35 ALA C C 35 179.762 179.762 178.775 0.987 18400 867 1 4 . 1 1 35 35 ALA CA C 35 54.226 54.226 54.614 -0.388 18400 868 1 4 . 1 1 35 35 ALA CB C 35 17.744 17.744 18.278 -0.534 18400 869 1 4 . 1 1 35 35 ALA H H 35 7.741 7.741 8.371 -0.630 18400 870 1 4 . 1 1 36 36 GLU N N 36 116.640 116.640 116.291 0.349 18400 871 1 4 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.256 0.147 18400 872 1 4 . 1 1 36 36 GLU C C 36 177.531 177.531 177.671 -0.140 18400 873 1 4 . 1 1 36 36 GLU CA C 36 55.856 55.856 57.106 -1.250 18400 874 1 4 . 1 1 36 36 GLU CB C 36 29.741 29.741 30.202 -0.461 18400 875 1 4 . 1 1 36 36 GLU H H 36 7.496 7.496 7.652 -0.156 18400 876 1 4 . 1 1 37 37 GLY N N 37 106.885 106.885 107.253 -0.368 18400 877 1 4 . 1 1 37 37 GLY C C 37 176.072 176.072 174.338 1.734 18400 878 1 4 . 1 1 37 37 GLY CA C 37 45.369 45.369 45.041 0.328 18400 879 1 4 . 1 1 37 37 GLY H H 37 7.802 7.802 8.161 -0.359 18400 880 1 4 . 1 1 38 38 LYS N N 38 120.419 120.419 121.301 -0.882 18400 881 1 4 . 1 1 38 38 LYS HA H 38 4.479 4.479 4.610 -0.131 18400 882 1 4 . 1 1 38 38 LYS C C 38 174.921 174.921 175.807 -0.886 18400 883 1 4 . 1 1 38 38 LYS CA C 38 55.927 55.927 54.803 1.125 18400 884 1 4 . 1 1 38 38 LYS CB C 38 31.850 31.850 33.190 -1.340 18400 885 1 4 . 1 1 38 38 LYS H H 38 7.935 7.935 7.551 0.384 18400 886 1 4 . 1 1 39 39 SER N N 39 114.172 114.172 115.747 -1.575 18400 887 1 4 . 1 1 39 39 SER HA H 39 4.812 4.812 4.461 0.351 18400 888 1 4 . 1 1 39 39 SER C C 39 176.690 176.690 175.997 0.693 18400 889 1 4 . 1 1 39 39 SER CA C 39 56.473 56.473 56.604 -0.131 18400 890 1 4 . 1 1 39 39 SER CB C 39 65.933 65.933 64.004 1.929 18400 891 1 4 . 1 1 39 39 SER H H 39 8.579 8.579 8.457 0.122 18400 892 1 4 . 1 1 40 40 LEU N N 40 126.212 126.212 122.034 4.178 18400 893 1 4 . 1 1 40 40 LEU HA H 40 4.201 4.201 4.103 0.098 18400 894 1 4 . 1 1 40 40 LEU C C 40 179.329 179.329 177.848 1.481 18400 895 1 4 . 1 1 40 40 LEU CA C 40 58.049 58.049 56.117 1.932 18400 896 1 4 . 1 1 40 40 LEU CB C 40 41.038 41.038 42.000 -0.962 18400 897 1 4 . 1 1 40 40 LEU H H 40 9.038 9.038 8.802 0.236 18400 898 1 4 . 1 1 41 41 ASP N N 41 115.700 115.700 117.912 -2.212 18400 899 1 4 . 1 1 41 41 ASP HA H 41 4.580 4.580 3.847 0.733 18400 900 1 4 . 1 1 41 41 ASP C C 41 179.063 179.063 177.245 1.818 18400 901 1 4 . 1 1 41 41 ASP CA C 41 56.353 56.353 57.106 -0.753 18400 902 1 4 . 1 1 41 41 ASP CB C 41 40.217 40.217 40.131 0.086 18400 903 1 4 . 1 1 41 41 ASP H H 41 8.217 8.217 8.135 0.082 18400 904 1 4 . 1 1 42 42 ASP N N 42 119.466 119.466 118.701 0.765 18400 905 1 4 . 1 1 42 42 ASP HA H 42 4.422 4.422 4.366 0.056 18400 906 1 4 . 1 1 42 42 ASP C C 42 177.484 177.484 176.685 0.799 18400 907 1 4 . 1 1 42 42 ASP CB C 42 40.234 40.234 41.006 -0.772 18400 908 1 4 . 1 1 42 42 ASP H H 42 7.959 7.959 7.386 0.573 18400 909 1 4 . 1 1 43 43 PHE N N 43 117.109 117.109 116.833 0.276 18400 910 1 4 . 1 1 43 43 PHE HA H 43 4.873 4.873 4.720 0.153 18400 911 1 4 . 1 1 43 43 PHE C C 43 175.641 175.641 174.519 1.122 18400 912 1 4 . 1 1 43 43 PHE CA C 43 58.196 58.196 54.904 3.292 18400 913 1 4 . 1 1 43 43 PHE CB C 43 39.344 39.344 38.548 0.796 18400 914 1 4 . 1 1 43 43 PHE H H 43 8.320 8.320 7.138 1.182 18400 915 1 4 . 1 1 44 44 LEU N N 44 122.188 122.188 120.005 2.183 18400 916 1 4 . 1 1 44 44 LEU HA H 44 4.428 4.428 4.263 0.165 18400 917 1 4 . 1 1 44 44 LEU C C 44 178.294 178.294 176.997 1.297 18400 918 1 4 . 1 1 44 44 LEU CA C 44 56.434 56.434 55.146 1.288 18400 919 1 4 . 1 1 44 44 LEU CB C 44 42.835 42.835 40.756 2.079 18400 920 1 4 . 1 1 44 44 LEU H H 44 7.387 7.387 7.117 0.270 18400 921 1 5 . 1 1 2 2 GLN N N 2 122.420 122.420 121.244 1.176 18400 922 1 5 . 1 1 2 2 GLN HA H 2 4.665 4.665 4.556 0.109 18400 923 1 5 . 1 1 2 2 GLN CA C 2 53.740 53.740 54.898 -1.158 18400 924 1 5 . 1 1 2 2 GLN CB C 2 28.509 28.509 30.195 -1.687 18400 925 1 5 . 1 1 2 2 GLN H H 2 8.573 8.573 8.188 0.385 18400 926 1 5 . 1 1 3 3 PRO HA H 3 4.464 4.464 4.628 -0.164 18400 927 1 5 . 1 1 3 3 PRO C C 3 177.173 177.173 175.884 1.289 18400 928 1 5 . 1 1 3 3 PRO CA C 3 62.946 62.946 62.114 0.832 18400 929 1 5 . 1 1 3 3 PRO CB C 3 32.109 32.109 32.456 -0.347 18400 930 1 5 . 1 1 4 4 ARG N N 4 122.684 122.684 120.204 2.480 18400 931 1 5 . 1 1 4 4 ARG HA H 4 4.578 4.578 4.201 0.377 18400 932 1 5 . 1 1 4 4 ARG CA C 4 53.646 53.646 55.832 -2.186 18400 933 1 5 . 1 1 4 4 ARG CB C 4 29.634 29.634 29.299 0.335 18400 934 1 5 . 1 1 4 4 ARG H H 4 8.438 8.438 8.471 -0.033 18400 935 1 5 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.472 -0.072 18400 936 1 5 . 1 1 5 5 PRO C C 5 177.137 177.137 175.812 1.325 18400 937 1 5 . 1 1 5 5 PRO CA C 5 62.490 62.490 62.376 0.114 18400 938 1 5 . 1 1 5 5 PRO CB C 5 31.928 31.928 31.517 0.411 18400 939 1 5 . 1 1 6 6 ALA N N 6 123.540 123.540 127.801 -4.261 18400 940 1 5 . 1 1 6 6 ALA HA H 6 3.919 3.919 4.285 -0.366 18400 941 1 5 . 1 1 6 6 ALA C C 6 176.845 176.845 176.421 0.424 18400 942 1 5 . 1 1 6 6 ALA CA C 6 53.270 53.270 51.173 2.097 18400 943 1 5 . 1 1 6 6 ALA CB C 6 19.045 19.045 19.925 -0.880 18400 944 1 5 . 1 1 6 6 ALA H H 6 8.360 8.360 7.845 0.515 18400 945 1 5 . 1 1 7 7 LYS N N 7 121.074 121.074 120.021 1.053 18400 946 1 5 . 1 1 7 7 LYS HA H 7 4.306 4.306 4.281 0.025 18400 947 1 5 . 1 1 7 7 LYS C C 7 175.113 175.113 174.557 0.556 18400 948 1 5 . 1 1 7 7 LYS CA C 7 56.621 56.621 55.607 1.014 18400 949 1 5 . 1 1 7 7 LYS CB C 7 36.158 36.158 31.850 4.308 18400 950 1 5 . 1 1 7 7 LYS H H 7 7.691 7.691 7.937 -0.246 18400 951 1 5 . 1 1 8 8 TYR N N 8 117.325 117.325 121.866 -4.541 18400 952 1 5 . 1 1 8 8 TYR HA H 8 5.660 5.660 4.632 1.028 18400 953 1 5 . 1 1 8 8 TYR C C 8 175.278 175.278 174.083 1.195 18400 954 1 5 . 1 1 8 8 TYR CA C 8 56.011 56.011 56.590 -0.578 18400 955 1 5 . 1 1 8 8 TYR CB C 8 42.531 42.531 42.929 -0.398 18400 956 1 5 . 1 1 8 8 TYR H H 8 8.349 8.349 8.264 0.085 18400 957 1 5 . 1 1 9 9 LYS N N 9 120.812 120.812 122.302 -1.490 18400 958 1 5 . 1 1 9 9 LYS HA H 9 5.647 5.647 4.895 0.752 18400 959 1 5 . 1 1 9 9 LYS C C 9 174.978 174.978 175.147 -0.169 18400 960 1 5 . 1 1 9 9 LYS CA C 9 54.767 54.767 55.882 -1.115 18400 961 1 5 . 1 1 9 9 LYS CB C 9 36.033 36.033 34.453 1.580 18400 962 1 5 . 1 1 9 9 LYS H H 9 9.648 9.648 8.846 0.802 18400 963 1 5 . 1 1 10 10 PHE N N 10 118.595 118.595 125.401 -6.806 18400 964 1 5 . 1 1 10 10 PHE HA H 10 5.220 5.220 4.937 0.283 18400 965 1 5 . 1 1 10 10 PHE C C 10 172.698 172.698 172.550 0.148 18400 966 1 5 . 1 1 10 10 PHE CA C 10 55.854 55.854 56.397 -0.543 18400 967 1 5 . 1 1 10 10 PHE CB C 10 40.607 40.607 41.864 -1.257 18400 968 1 5 . 1 1 10 10 PHE H H 10 8.890 8.890 8.401 0.489 18400 969 1 5 . 1 1 11 11 THR N N 11 117.249 117.249 115.826 1.423 18400 970 1 5 . 1 1 11 11 THR HA H 11 4.745 4.745 4.446 0.299 18400 971 1 5 . 1 1 11 11 THR C C 11 175.071 175.071 172.896 2.175 18400 972 1 5 . 1 1 11 11 THR CA C 11 61.667 61.667 60.270 1.397 18400 973 1 5 . 1 1 11 11 THR CB C 11 69.324 69.324 69.225 0.099 18400 974 1 5 . 1 1 11 11 THR H H 11 8.904 8.904 7.793 1.111 18400 975 1 5 . 1 1 12 12 ASP N N 12 127.813 127.813 125.209 2.604 18400 976 1 5 . 1 1 12 12 ASP HA H 12 4.903 4.903 3.857 1.046 18400 977 1 5 . 1 1 12 12 ASP C C 12 179.041 179.041 177.601 1.440 18400 978 1 5 . 1 1 12 12 ASP CA C 12 52.773 52.773 53.916 -1.143 18400 979 1 5 . 1 1 12 12 ASP CB C 12 38.879 38.879 42.432 -3.553 18400 980 1 5 . 1 1 12 12 ASP H H 12 8.993 8.993 8.232 0.761 18400 981 1 5 . 1 1 13 13 VAL N N 13 117.388 117.388 120.209 -2.821 18400 982 1 5 . 1 1 13 13 VAL HA H 13 3.990 3.990 3.834 0.156 18400 983 1 5 . 1 1 13 13 VAL C C 13 176.796 176.796 176.118 0.678 18400 984 1 5 . 1 1 13 13 VAL CA C 13 64.349 64.349 64.139 0.210 18400 985 1 5 . 1 1 13 13 VAL CB C 13 31.652 31.652 31.988 -0.336 18400 986 1 5 . 1 1 13 13 VAL H H 13 8.950 8.950 8.666 0.284 18400 987 1 5 . 1 1 14 14 ASN N N 14 117.303 117.303 116.339 0.964 18400 988 1 5 . 1 1 14 14 ASN HA H 14 4.781 4.781 4.652 0.129 18400 989 1 5 . 1 1 14 14 ASN C C 14 176.606 176.606 175.567 1.039 18400 990 1 5 . 1 1 14 14 ASN CB C 14 38.851 38.851 39.194 -0.343 18400 991 1 5 . 1 1 14 14 ASN H H 14 8.011 8.011 8.024 -0.013 18400 992 1 5 . 1 1 15 15 GLY N N 15 108.443 108.443 108.259 0.184 18400 993 1 5 . 1 1 15 15 GLY C C 15 174.799 174.799 173.690 1.109 18400 994 1 5 . 1 1 15 15 GLY CA C 15 45.246 45.246 44.938 0.308 18400 995 1 5 . 1 1 15 15 GLY H H 15 8.288 8.288 7.746 0.542 18400 996 1 5 . 1 1 16 16 GLU N N 16 122.005 122.005 119.820 2.185 18400 997 1 5 . 1 1 16 16 GLU HA H 16 4.373 4.373 4.261 0.112 18400 998 1 5 . 1 1 16 16 GLU C C 16 176.564 176.564 174.690 1.874 18400 999 1 5 . 1 1 16 16 GLU CA C 16 55.798 55.798 56.046 -0.248 18400 1000 1 5 . 1 1 16 16 GLU CB C 16 30.932 30.932 30.435 0.497 18400 1001 1 5 . 1 1 16 16 GLU H H 16 8.045 8.045 7.854 0.191 18400 1002 1 5 . 1 1 17 17 THR N N 17 120.458 120.458 115.888 4.570 18400 1003 1 5 . 1 1 17 17 THR HA H 17 4.583 4.583 5.257 -0.674 18400 1004 1 5 . 1 1 17 17 THR C C 17 174.583 174.583 173.595 0.988 18400 1005 1 5 . 1 1 17 17 THR CA C 17 63.471 63.471 60.985 2.486 18400 1006 1 5 . 1 1 17 17 THR CB C 17 69.004 69.004 69.599 -0.595 18400 1007 1 5 . 1 1 17 17 THR H H 17 8.758 8.758 8.311 0.447 18400 1008 1 5 . 1 1 18 18 LYS N N 18 129.000 129.000 125.775 3.225 18400 1009 1 5 . 1 1 18 18 LYS HA H 18 4.581 4.581 4.764 -0.183 18400 1010 1 5 . 1 1 18 18 LYS C C 18 174.995 174.995 175.244 -0.249 18400 1011 1 5 . 1 1 18 18 LYS CB C 18 36.219 36.219 36.472 -0.253 18400 1012 1 5 . 1 1 18 18 LYS H H 18 8.848 8.848 8.154 0.694 18400 1013 1 5 . 1 1 19 19 THR N N 19 107.308 107.308 113.513 -6.205 18400 1014 1 5 . 1 1 19 19 THR HA H 19 5.662 5.662 4.673 0.989 18400 1015 1 5 . 1 1 19 19 THR C C 19 175.135 175.135 173.909 1.226 18400 1016 1 5 . 1 1 19 19 THR CA C 19 59.541 59.541 62.340 -2.799 18400 1017 1 5 . 1 1 19 19 THR CB C 19 72.571 72.571 69.252 3.318 18400 1018 1 5 . 1 1 19 19 THR H H 19 8.023 8.023 8.364 -0.341 18400 1019 1 5 . 1 1 20 20 TRP N N 20 120.113 120.113 127.466 -7.353 18400 1020 1 5 . 1 1 20 20 TRP HA H 20 5.793 5.793 4.577 1.216 18400 1021 1 5 . 1 1 20 20 TRP CA C 20 55.233 55.233 56.887 -1.654 18400 1022 1 5 . 1 1 20 20 TRP CB C 20 33.193 33.193 30.867 2.326 18400 1023 1 5 . 1 1 20 20 TRP H H 20 9.317 9.317 8.011 1.306 18400 1024 1 5 . 1 1 21 21 THR HA H 21 4.280 4.280 4.046 0.234 18400 1025 1 5 . 1 1 21 21 THR CA C 21 62.844 62.844 61.212 1.632 18400 1026 1 5 . 1 1 21 21 THR CB C 21 70.918 70.918 70.212 0.706 18400 1027 1 5 . 1 1 21 21 THR H H 21 8.449 8.449 7.479 0.970 18400 1028 1 5 . 1 1 22 22 GLY C C 22 172.841 172.841 173.138 -0.297 18400 1029 1 5 . 1 1 22 22 GLY CA C 22 44.229 44.229 44.442 -0.213 18400 1030 1 5 . 1 1 22 22 GLY H H 22 7.928 7.928 7.236 0.692 18400 1031 1 5 . 1 1 23 23 GLN N N 23 117.973 117.973 121.570 -3.597 18400 1032 1 5 . 1 1 23 23 GLN HA H 23 4.533 4.533 4.131 0.402 18400 1033 1 5 . 1 1 23 23 GLN C C 23 176.979 176.979 175.412 1.567 18400 1034 1 5 . 1 1 23 23 GLN CA C 23 54.099 54.099 57.994 -3.895 18400 1035 1 5 . 1 1 23 23 GLN CB C 23 30.565 30.565 29.690 0.875 18400 1036 1 5 . 1 1 23 23 GLN H H 23 7.141 7.141 7.575 -0.434 18400 1037 1 5 . 1 1 24 24 GLY N N 24 111.998 111.998 107.077 4.921 18400 1038 1 5 . 1 1 24 24 GLY C C 24 174.510 174.510 173.680 0.830 18400 1039 1 5 . 1 1 24 24 GLY CA C 24 44.906 44.906 44.999 -0.093 18400 1040 1 5 . 1 1 24 24 GLY H H 24 8.841 8.841 8.788 0.053 18400 1041 1 5 . 1 1 25 25 ARG N N 25 121.958 121.958 121.637 0.321 18400 1042 1 5 . 1 1 25 25 ARG HA H 25 4.179 4.179 4.356 -0.177 18400 1043 1 5 . 1 1 25 25 ARG C C 25 177.025 177.025 175.426 1.599 18400 1044 1 5 . 1 1 25 25 ARG CA C 25 56.285 56.285 55.838 0.447 18400 1045 1 5 . 1 1 25 25 ARG CB C 25 29.885 29.885 30.946 -1.061 18400 1046 1 5 . 1 1 25 25 ARG H H 25 8.444 8.444 8.340 0.104 18400 1047 1 5 . 1 1 26 26 THR N N 26 122.468 122.468 119.721 2.747 18400 1048 1 5 . 1 1 26 26 THR HA H 26 3.226 3.226 4.765 -1.539 18400 1049 1 5 . 1 1 26 26 THR CA C 26 60.422 60.422 59.666 0.756 18400 1050 1 5 . 1 1 26 26 THR CB C 26 69.088 69.088 69.110 -0.022 18400 1051 1 5 . 1 1 26 26 THR H H 26 8.369 8.369 8.395 -0.026 18400 1052 1 5 . 1 1 27 27 PRO HA H 27 3.867 3.867 4.226 -0.359 18400 1053 1 5 . 1 1 27 27 PRO C C 27 177.571 177.571 178.174 -0.603 18400 1054 1 5 . 1 1 27 27 PRO CA C 27 62.174 62.174 62.990 -0.816 18400 1055 1 5 . 1 1 27 27 PRO CB C 27 32.818 32.818 32.017 0.801 18400 1056 1 5 . 1 1 28 28 LYS N N 28 126.298 126.298 121.525 4.773 18400 1057 1 5 . 1 1 28 28 LYS HA H 28 3.925 3.925 3.970 -0.045 18400 1058 1 5 . 1 1 28 28 LYS CA C 28 60.815 60.815 61.671 -0.856 18400 1059 1 5 . 1 1 28 28 LYS H H 28 8.903 8.903 8.822 0.081 18400 1060 1 5 . 1 1 29 29 PRO HA H 29 4.289 4.289 4.365 -0.076 18400 1061 1 5 . 1 1 29 29 PRO C C 29 180.695 180.695 178.933 1.762 18400 1062 1 5 . 1 1 29 29 PRO CA C 29 65.875 65.875 65.414 0.461 18400 1063 1 5 . 1 1 29 29 PRO CB C 29 31.770 31.770 31.241 0.530 18400 1064 1 5 . 1 1 30 30 ILE N N 30 114.387 114.387 118.133 -3.746 18400 1065 1 5 . 1 1 30 30 ILE HA H 30 3.021 3.021 4.027 -1.006 18400 1066 1 5 . 1 1 30 30 ILE C C 30 176.633 176.633 178.099 -1.466 18400 1067 1 5 . 1 1 30 30 ILE CA C 30 63.949 63.949 63.219 0.730 18400 1068 1 5 . 1 1 30 30 ILE CB C 30 36.650 36.650 36.535 0.115 18400 1069 1 5 . 1 1 30 30 ILE H H 30 6.051 6.051 7.939 -1.888 18400 1070 1 5 . 1 1 31 31 ALA N N 31 123.060 123.060 122.349 0.711 18400 1071 1 5 . 1 1 31 31 ALA HA H 31 3.720 3.720 3.972 -0.252 18400 1072 1 5 . 1 1 31 31 ALA C C 31 181.571 181.571 179.815 1.756 18400 1073 1 5 . 1 1 31 31 ALA CA C 31 55.456 55.456 55.881 -0.425 18400 1074 1 5 . 1 1 31 31 ALA CB C 31 17.825 17.825 17.919 -0.094 18400 1075 1 5 . 1 1 31 31 ALA H H 31 7.922 7.922 8.866 -0.944 18400 1076 1 5 . 1 1 32 32 GLN N N 32 117.568 117.568 118.182 -0.614 18400 1077 1 5 . 1 1 32 32 GLN HA H 32 3.934 3.934 4.045 -0.111 18400 1078 1 5 . 1 1 32 32 GLN C C 32 178.025 178.025 178.414 -0.389 18400 1079 1 5 . 1 1 32 32 GLN CA C 32 58.424 58.424 58.725 -0.301 18400 1080 1 5 . 1 1 32 32 GLN CB C 32 28.285 28.285 28.584 -0.299 18400 1081 1 5 . 1 1 32 32 GLN H H 32 8.438 8.438 7.862 0.576 18400 1082 1 5 . 1 1 33 33 ALA N N 33 121.972 121.972 123.333 -1.361 18400 1083 1 5 . 1 1 33 33 ALA HA H 33 4.282 4.282 4.239 0.043 18400 1084 1 5 . 1 1 33 33 ALA C C 33 181.426 181.426 179.493 1.933 18400 1085 1 5 . 1 1 33 33 ALA CA C 33 55.082 55.082 55.081 0.001 18400 1086 1 5 . 1 1 33 33 ALA CB C 33 18.720 18.720 18.710 0.010 18400 1087 1 5 . 1 1 33 33 ALA H H 33 7.099 7.099 7.504 -0.405 18400 1088 1 5 . 1 1 34 34 LEU N N 34 119.898 119.898 119.151 0.747 18400 1089 1 5 . 1 1 34 34 LEU HA H 34 4.297 4.297 4.587 -0.290 18400 1090 1 5 . 1 1 34 34 LEU C C 34 182.198 182.198 180.335 1.863 18400 1091 1 5 . 1 1 34 34 LEU CA C 34 57.310 57.310 57.106 0.204 18400 1092 1 5 . 1 1 34 34 LEU CB C 34 40.490 40.490 42.194 -1.704 18400 1093 1 5 . 1 1 34 34 LEU H H 34 8.538 8.538 8.883 -0.345 18400 1094 1 5 . 1 1 35 35 ALA N N 35 122.660 122.660 122.042 0.618 18400 1095 1 5 . 1 1 35 35 ALA HA H 35 4.222 4.222 4.099 0.123 18400 1096 1 5 . 1 1 35 35 ALA C C 35 179.762 179.762 179.116 0.646 18400 1097 1 5 . 1 1 35 35 ALA CA C 35 54.226 54.226 54.763 -0.537 18400 1098 1 5 . 1 1 35 35 ALA CB C 35 17.744 17.744 18.243 -0.499 18400 1099 1 5 . 1 1 35 35 ALA H H 35 7.741 7.741 8.257 -0.516 18400 1100 1 5 . 1 1 36 36 GLU N N 36 116.640 116.640 116.790 -0.150 18400 1101 1 5 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.291 0.112 18400 1102 1 5 . 1 1 36 36 GLU C C 36 177.531 177.531 177.400 0.131 18400 1103 1 5 . 1 1 36 36 GLU CA C 36 55.856 55.856 56.617 -0.761 18400 1104 1 5 . 1 1 36 36 GLU CB C 36 29.741 29.741 29.997 -0.256 18400 1105 1 5 . 1 1 36 36 GLU H H 36 7.496 7.496 7.756 -0.260 18400 1106 1 5 . 1 1 37 37 GLY N N 37 106.885 106.885 106.766 0.119 18400 1107 1 5 . 1 1 37 37 GLY C C 37 176.072 176.072 174.315 1.757 18400 1108 1 5 . 1 1 37 37 GLY CA C 37 45.369 45.369 44.914 0.455 18400 1109 1 5 . 1 1 37 37 GLY H H 37 7.802 7.802 8.074 -0.272 18400 1110 1 5 . 1 1 38 38 LYS N N 38 120.419 120.419 121.600 -1.181 18400 1111 1 5 . 1 1 38 38 LYS HA H 38 4.479 4.479 4.546 -0.067 18400 1112 1 5 . 1 1 38 38 LYS C C 38 174.921 174.921 175.695 -0.774 18400 1113 1 5 . 1 1 38 38 LYS CA C 38 55.927 55.927 55.328 0.599 18400 1114 1 5 . 1 1 38 38 LYS CB C 38 31.850 31.850 33.528 -1.678 18400 1115 1 5 . 1 1 38 38 LYS H H 38 7.935 7.935 7.588 0.347 18400 1116 1 5 . 1 1 39 39 SER N N 39 114.172 114.172 115.025 -0.853 18400 1117 1 5 . 1 1 39 39 SER HA H 39 4.812 4.812 4.487 0.325 18400 1118 1 5 . 1 1 39 39 SER C C 39 176.690 176.690 176.087 0.603 18400 1119 1 5 . 1 1 39 39 SER CA C 39 56.473 56.473 57.505 -1.032 18400 1120 1 5 . 1 1 39 39 SER CB C 39 65.933 65.933 64.083 1.850 18400 1121 1 5 . 1 1 39 39 SER H H 39 8.579 8.579 8.488 0.091 18400 1122 1 5 . 1 1 40 40 LEU N N 40 126.212 126.212 122.722 3.490 18400 1123 1 5 . 1 1 40 40 LEU HA H 40 4.201 4.201 4.188 0.013 18400 1124 1 5 . 1 1 40 40 LEU C C 40 179.329 179.329 177.682 1.647 18400 1125 1 5 . 1 1 40 40 LEU CA C 40 58.049 58.049 56.267 1.782 18400 1126 1 5 . 1 1 40 40 LEU CB C 40 41.038 41.038 42.286 -1.248 18400 1127 1 5 . 1 1 40 40 LEU H H 40 9.038 9.038 8.892 0.146 18400 1128 1 5 . 1 1 41 41 ASP N N 41 115.700 115.700 118.806 -3.106 18400 1129 1 5 . 1 1 41 41 ASP HA H 41 4.580 4.580 3.987 0.593 18400 1130 1 5 . 1 1 41 41 ASP C C 41 179.063 179.063 178.082 0.981 18400 1131 1 5 . 1 1 41 41 ASP CA C 41 56.353 56.353 57.543 -1.190 18400 1132 1 5 . 1 1 41 41 ASP CB C 41 40.217 40.217 40.156 0.062 18400 1133 1 5 . 1 1 41 41 ASP H H 41 8.217 8.217 8.180 0.037 18400 1134 1 5 . 1 1 42 42 ASP N N 42 119.466 119.466 119.177 0.289 18400 1135 1 5 . 1 1 42 42 ASP HA H 42 4.422 4.422 4.302 0.120 18400 1136 1 5 . 1 1 42 42 ASP C C 42 177.484 177.484 176.726 0.758 18400 1137 1 5 . 1 1 42 42 ASP CB C 42 40.234 40.234 40.806 -0.572 18400 1138 1 5 . 1 1 42 42 ASP H H 42 7.959 7.959 7.418 0.541 18400 1139 1 5 . 1 1 43 43 PHE N N 43 117.109 117.109 116.200 0.909 18400 1140 1 5 . 1 1 43 43 PHE HA H 43 4.873 4.873 4.732 0.141 18400 1141 1 5 . 1 1 43 43 PHE C C 43 175.641 175.641 174.666 0.975 18400 1142 1 5 . 1 1 43 43 PHE CA C 43 58.196 58.196 55.533 2.663 18400 1143 1 5 . 1 1 43 43 PHE CB C 43 39.344 39.344 38.573 0.771 18400 1144 1 5 . 1 1 43 43 PHE H H 43 8.320 8.320 7.097 1.223 18400 1145 1 5 . 1 1 44 44 LEU N N 44 122.188 122.188 119.835 2.353 18400 1146 1 5 . 1 1 44 44 LEU HA H 44 4.428 4.428 4.162 0.266 18400 1147 1 5 . 1 1 44 44 LEU C C 44 178.294 178.294 176.992 1.302 18400 1148 1 5 . 1 1 44 44 LEU CA C 44 56.434 56.434 55.322 1.112 18400 1149 1 5 . 1 1 44 44 LEU CB C 44 42.835 42.835 41.208 1.627 18400 1150 1 5 . 1 1 44 44 LEU H H 44 7.387 7.387 7.047 0.340 18400 1151 1 6 . 1 1 2 2 GLN N N 2 122.420 122.420 123.625 -1.205 18400 1152 1 6 . 1 1 2 2 GLN HA H 2 4.665 4.665 4.220 0.445 18400 1153 1 6 . 1 1 2 2 GLN CA C 2 53.740 53.740 54.891 -1.151 18400 1154 1 6 . 1 1 2 2 GLN CB C 2 28.509 28.509 29.166 -0.657 18400 1155 1 6 . 1 1 2 2 GLN H H 2 8.573 8.573 8.307 0.266 18400 1156 1 6 . 1 1 3 3 PRO HA H 3 4.464 4.464 4.521 -0.057 18400 1157 1 6 . 1 1 3 3 PRO C C 3 177.173 177.173 175.521 1.652 18400 1158 1 6 . 1 1 3 3 PRO CA C 3 62.946 62.946 62.124 0.822 18400 1159 1 6 . 1 1 3 3 PRO CB C 3 32.109 32.109 32.503 -0.394 18400 1160 1 6 . 1 1 4 4 ARG N N 4 122.684 122.684 121.268 1.416 18400 1161 1 6 . 1 1 4 4 ARG HA H 4 4.578 4.578 4.182 0.396 18400 1162 1 6 . 1 1 4 4 ARG CA C 4 53.646 53.646 55.693 -2.047 18400 1163 1 6 . 1 1 4 4 ARG CB C 4 29.634 29.634 29.975 -0.341 18400 1164 1 6 . 1 1 4 4 ARG H H 4 8.438 8.438 8.487 -0.049 18400 1165 1 6 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.487 -0.087 18400 1166 1 6 . 1 1 5 5 PRO C C 5 177.137 177.137 175.449 1.688 18400 1167 1 6 . 1 1 5 5 PRO CA C 5 62.490 62.490 62.401 0.089 18400 1168 1 6 . 1 1 5 5 PRO CB C 5 31.928 31.928 32.954 -1.026 18400 1169 1 6 . 1 1 6 6 ALA N N 6 123.540 123.540 126.947 -3.407 18400 1170 1 6 . 1 1 6 6 ALA HA H 6 3.919 3.919 4.354 -0.435 18400 1171 1 6 . 1 1 6 6 ALA C C 6 176.845 176.845 175.756 1.089 18400 1172 1 6 . 1 1 6 6 ALA CA C 6 53.270 53.270 50.890 2.380 18400 1173 1 6 . 1 1 6 6 ALA CB C 6 19.045 19.045 19.975 -0.930 18400 1174 1 6 . 1 1 6 6 ALA H H 6 8.360 8.360 8.271 0.089 18400 1175 1 6 . 1 1 7 7 LYS N N 7 121.074 121.074 120.225 0.849 18400 1176 1 6 . 1 1 7 7 LYS HA H 7 4.306 4.306 4.381 -0.075 18400 1177 1 6 . 1 1 7 7 LYS C C 7 175.113 175.113 174.258 0.855 18400 1178 1 6 . 1 1 7 7 LYS CA C 7 56.621 56.621 55.672 0.949 18400 1179 1 6 . 1 1 7 7 LYS CB C 7 36.158 36.158 32.700 3.458 18400 1180 1 6 . 1 1 7 7 LYS H H 7 7.691 7.691 7.836 -0.145 18400 1181 1 6 . 1 1 8 8 TYR N N 8 117.325 117.325 121.245 -3.920 18400 1182 1 6 . 1 1 8 8 TYR HA H 8 5.660 5.660 4.692 0.968 18400 1183 1 6 . 1 1 8 8 TYR C C 8 175.278 175.278 174.255 1.023 18400 1184 1 6 . 1 1 8 8 TYR CA C 8 56.011 56.011 56.439 -0.428 18400 1185 1 6 . 1 1 8 8 TYR CB C 8 42.531 42.531 42.597 -0.066 18400 1186 1 6 . 1 1 8 8 TYR H H 8 8.349 8.349 8.239 0.110 18400 1187 1 6 . 1 1 9 9 LYS N N 9 120.812 120.812 122.344 -1.532 18400 1188 1 6 . 1 1 9 9 LYS HA H 9 5.647 5.647 4.753 0.894 18400 1189 1 6 . 1 1 9 9 LYS C C 9 174.978 174.978 175.139 -0.161 18400 1190 1 6 . 1 1 9 9 LYS CA C 9 54.767 54.767 55.358 -0.591 18400 1191 1 6 . 1 1 9 9 LYS CB C 9 36.033 36.033 33.803 2.230 18400 1192 1 6 . 1 1 9 9 LYS H H 9 9.648 9.648 8.997 0.651 18400 1193 1 6 . 1 1 10 10 PHE N N 10 118.595 118.595 123.738 -5.143 18400 1194 1 6 . 1 1 10 10 PHE HA H 10 5.220 5.220 4.840 0.380 18400 1195 1 6 . 1 1 10 10 PHE C C 10 172.698 172.698 172.454 0.244 18400 1196 1 6 . 1 1 10 10 PHE CA C 10 55.854 55.854 56.457 -0.603 18400 1197 1 6 . 1 1 10 10 PHE CB C 10 40.607 40.607 42.062 -1.455 18400 1198 1 6 . 1 1 10 10 PHE H H 10 8.890 8.890 8.391 0.499 18400 1199 1 6 . 1 1 11 11 THR N N 11 117.249 117.249 116.260 0.989 18400 1200 1 6 . 1 1 11 11 THR HA H 11 4.745 4.745 4.334 0.411 18400 1201 1 6 . 1 1 11 11 THR C C 11 175.071 175.071 173.004 2.067 18400 1202 1 6 . 1 1 11 11 THR CA C 11 61.667 61.667 60.959 0.708 18400 1203 1 6 . 1 1 11 11 THR CB C 11 69.324 69.324 69.210 0.114 18400 1204 1 6 . 1 1 11 11 THR H H 11 8.904 8.904 7.795 1.109 18400 1205 1 6 . 1 1 12 12 ASP N N 12 127.813 127.813 125.899 1.914 18400 1206 1 6 . 1 1 12 12 ASP HA H 12 4.903 4.903 3.829 1.074 18400 1207 1 6 . 1 1 12 12 ASP C C 12 179.041 179.041 177.270 1.771 18400 1208 1 6 . 1 1 12 12 ASP CA C 12 52.773 52.773 53.653 -0.880 18400 1209 1 6 . 1 1 12 12 ASP CB C 12 38.879 38.879 41.626 -2.747 18400 1210 1 6 . 1 1 12 12 ASP H H 12 8.993 8.993 7.785 1.208 18400 1211 1 6 . 1 1 13 13 VAL N N 13 117.388 117.388 120.809 -3.421 18400 1212 1 6 . 1 1 13 13 VAL HA H 13 3.990 3.990 3.772 0.218 18400 1213 1 6 . 1 1 13 13 VAL C C 13 176.796 176.796 176.288 0.508 18400 1214 1 6 . 1 1 13 13 VAL CA C 13 64.349 64.349 64.822 -0.473 18400 1215 1 6 . 1 1 13 13 VAL CB C 13 31.652 31.652 31.998 -0.346 18400 1216 1 6 . 1 1 13 13 VAL H H 13 8.950 8.950 8.408 0.542 18400 1217 1 6 . 1 1 14 14 ASN N N 14 117.303 117.303 116.991 0.312 18400 1218 1 6 . 1 1 14 14 ASN HA H 14 4.781 4.781 4.637 0.144 18400 1219 1 6 . 1 1 14 14 ASN C C 14 176.606 176.606 175.268 1.338 18400 1220 1 6 . 1 1 14 14 ASN CB C 14 38.851 38.851 38.316 0.535 18400 1221 1 6 . 1 1 14 14 ASN H H 14 8.011 8.011 8.319 -0.308 18400 1222 1 6 . 1 1 15 15 GLY N N 15 108.443 108.443 107.968 0.475 18400 1223 1 6 . 1 1 15 15 GLY C C 15 174.799 174.799 174.068 0.731 18400 1224 1 6 . 1 1 15 15 GLY CA C 15 45.246 45.246 45.165 0.081 18400 1225 1 6 . 1 1 15 15 GLY H H 15 8.288 8.288 7.544 0.744 18400 1226 1 6 . 1 1 16 16 GLU N N 16 122.005 122.005 119.343 2.662 18400 1227 1 6 . 1 1 16 16 GLU HA H 16 4.373 4.373 4.363 0.010 18400 1228 1 6 . 1 1 16 16 GLU C C 16 176.564 176.564 175.709 0.855 18400 1229 1 6 . 1 1 16 16 GLU CA C 16 55.798 55.798 56.876 -1.078 18400 1230 1 6 . 1 1 16 16 GLU CB C 16 30.932 30.932 29.922 1.010 18400 1231 1 6 . 1 1 16 16 GLU H H 16 8.045 8.045 8.011 0.034 18400 1232 1 6 . 1 1 17 17 THR N N 17 120.458 120.458 114.134 6.324 18400 1233 1 6 . 1 1 17 17 THR HA H 17 4.583 4.583 4.800 -0.217 18400 1234 1 6 . 1 1 17 17 THR C C 17 174.583 174.583 173.696 0.887 18400 1235 1 6 . 1 1 17 17 THR CA C 17 63.471 63.471 61.834 1.637 18400 1236 1 6 . 1 1 17 17 THR CB C 17 69.004 69.004 69.630 -0.626 18400 1237 1 6 . 1 1 17 17 THR H H 17 8.758 8.758 8.329 0.429 18400 1238 1 6 . 1 1 18 18 LYS N N 18 129.000 129.000 123.783 5.217 18400 1239 1 6 . 1 1 18 18 LYS HA H 18 4.581 4.581 4.829 -0.248 18400 1240 1 6 . 1 1 18 18 LYS C C 18 174.995 174.995 175.578 -0.583 18400 1241 1 6 . 1 1 18 18 LYS CB C 18 36.219 36.219 36.020 0.199 18400 1242 1 6 . 1 1 18 18 LYS H H 18 8.848 8.848 8.135 0.713 18400 1243 1 6 . 1 1 19 19 THR N N 19 107.308 107.308 112.939 -5.631 18400 1244 1 6 . 1 1 19 19 THR HA H 19 5.662 5.662 4.659 1.003 18400 1245 1 6 . 1 1 19 19 THR C C 19 175.135 175.135 174.046 1.089 18400 1246 1 6 . 1 1 19 19 THR CA C 19 59.541 59.541 62.645 -3.104 18400 1247 1 6 . 1 1 19 19 THR CB C 19 72.571 72.571 69.284 3.287 18400 1248 1 6 . 1 1 19 19 THR H H 19 8.023 8.023 8.315 -0.292 18400 1249 1 6 . 1 1 20 20 TRP N N 20 120.113 120.113 127.339 -7.226 18400 1250 1 6 . 1 1 20 20 TRP HA H 20 5.793 5.793 4.614 1.179 18400 1251 1 6 . 1 1 20 20 TRP CA C 20 55.233 55.233 56.699 -1.466 18400 1252 1 6 . 1 1 20 20 TRP CB C 20 33.193 33.193 31.538 1.655 18400 1253 1 6 . 1 1 20 20 TRP H H 20 9.317 9.317 8.000 1.317 18400 1254 1 6 . 1 1 21 21 THR HA H 21 4.280 4.280 4.239 0.041 18400 1255 1 6 . 1 1 21 21 THR CA C 21 62.844 62.844 62.073 0.771 18400 1256 1 6 . 1 1 21 21 THR CB C 21 70.918 70.918 70.907 0.011 18400 1257 1 6 . 1 1 21 21 THR H H 21 8.449 8.449 7.579 0.870 18400 1258 1 6 . 1 1 22 22 GLY C C 22 172.841 172.841 173.601 -0.760 18400 1259 1 6 . 1 1 22 22 GLY CA C 22 44.229 44.229 44.881 -0.652 18400 1260 1 6 . 1 1 22 22 GLY H H 22 7.928 7.928 7.618 0.310 18400 1261 1 6 . 1 1 23 23 GLN N N 23 117.973 117.973 122.067 -4.094 18400 1262 1 6 . 1 1 23 23 GLN HA H 23 4.533 4.533 4.240 0.293 18400 1263 1 6 . 1 1 23 23 GLN C C 23 176.979 176.979 176.848 0.131 18400 1264 1 6 . 1 1 23 23 GLN CA C 23 54.099 54.099 54.325 -0.226 18400 1265 1 6 . 1 1 23 23 GLN CB C 23 30.565 30.565 27.437 3.128 18400 1266 1 6 . 1 1 23 23 GLN H H 23 7.141 7.141 7.458 -0.317 18400 1267 1 6 . 1 1 24 24 GLY N N 24 111.998 111.998 111.174 0.824 18400 1268 1 6 . 1 1 24 24 GLY C C 24 174.510 174.510 174.715 -0.205 18400 1269 1 6 . 1 1 24 24 GLY CA C 24 44.906 44.906 45.946 -1.040 18400 1270 1 6 . 1 1 24 24 GLY H H 24 8.841 8.841 8.152 0.689 18400 1271 1 6 . 1 1 25 25 ARG N N 25 121.958 121.958 124.988 -3.030 18400 1272 1 6 . 1 1 25 25 ARG HA H 25 4.179 4.179 4.223 -0.044 18400 1273 1 6 . 1 1 25 25 ARG C C 25 177.025 177.025 175.159 1.866 18400 1274 1 6 . 1 1 25 25 ARG CA C 25 56.285 56.285 57.017 -0.732 18400 1275 1 6 . 1 1 25 25 ARG CB C 25 29.885 29.885 30.114 -0.229 18400 1276 1 6 . 1 1 25 25 ARG H H 25 8.444 8.444 8.282 0.162 18400 1277 1 6 . 1 1 26 26 THR N N 26 122.468 122.468 119.810 2.658 18400 1278 1 6 . 1 1 26 26 THR HA H 26 3.226 3.226 4.825 -1.599 18400 1279 1 6 . 1 1 26 26 THR CA C 26 60.422 60.422 59.094 1.328 18400 1280 1 6 . 1 1 26 26 THR CB C 26 69.088 69.088 68.819 0.269 18400 1281 1 6 . 1 1 26 26 THR H H 26 8.369 8.369 8.398 -0.029 18400 1282 1 6 . 1 1 27 27 PRO HA H 27 3.867 3.867 4.153 -0.286 18400 1283 1 6 . 1 1 27 27 PRO C C 27 177.571 177.571 178.121 -0.550 18400 1284 1 6 . 1 1 27 27 PRO CA C 27 62.174 62.174 62.903 -0.729 18400 1285 1 6 . 1 1 27 27 PRO CB C 27 32.818 32.818 31.970 0.848 18400 1286 1 6 . 1 1 28 28 LYS N N 28 126.298 126.298 122.471 3.827 18400 1287 1 6 . 1 1 28 28 LYS HA H 28 3.925 3.925 3.958 -0.033 18400 1288 1 6 . 1 1 28 28 LYS CA C 28 60.815 60.815 61.822 -1.007 18400 1289 1 6 . 1 1 28 28 LYS H H 28 8.903 8.903 8.842 0.061 18400 1290 1 6 . 1 1 29 29 PRO HA H 29 4.289 4.289 4.212 0.077 18400 1291 1 6 . 1 1 29 29 PRO C C 29 180.695 180.695 178.801 1.894 18400 1292 1 6 . 1 1 29 29 PRO CA C 29 65.875 65.875 65.414 0.461 18400 1293 1 6 . 1 1 29 29 PRO CB C 29 31.770 31.770 31.020 0.750 18400 1294 1 6 . 1 1 30 30 ILE N N 30 114.387 114.387 118.051 -3.664 18400 1295 1 6 . 1 1 30 30 ILE HA H 30 3.021 3.021 3.786 -0.765 18400 1296 1 6 . 1 1 30 30 ILE C C 30 176.633 176.633 178.126 -1.493 18400 1297 1 6 . 1 1 30 30 ILE CA C 30 63.949 63.949 63.882 0.067 18400 1298 1 6 . 1 1 30 30 ILE CB C 30 36.650 36.650 36.800 -0.150 18400 1299 1 6 . 1 1 30 30 ILE H H 30 6.051 6.051 7.910 -1.859 18400 1300 1 6 . 1 1 31 31 ALA N N 31 123.060 123.060 122.938 0.122 18400 1301 1 6 . 1 1 31 31 ALA HA H 31 3.720 3.720 3.930 -0.210 18400 1302 1 6 . 1 1 31 31 ALA C C 31 181.571 181.571 179.222 2.349 18400 1303 1 6 . 1 1 31 31 ALA CA C 31 55.456 55.456 55.948 -0.492 18400 1304 1 6 . 1 1 31 31 ALA CB C 31 17.825 17.825 17.838 -0.013 18400 1305 1 6 . 1 1 31 31 ALA H H 31 7.922 7.922 8.928 -1.006 18400 1306 1 6 . 1 1 32 32 GLN N N 32 117.568 117.568 119.195 -1.627 18400 1307 1 6 . 1 1 32 32 GLN HA H 32 3.934 3.934 4.059 -0.125 18400 1308 1 6 . 1 1 32 32 GLN C C 32 178.025 178.025 178.164 -0.139 18400 1309 1 6 . 1 1 32 32 GLN CA C 32 58.424 58.424 58.838 -0.414 18400 1310 1 6 . 1 1 32 32 GLN CB C 32 28.285 28.285 28.517 -0.232 18400 1311 1 6 . 1 1 32 32 GLN H H 32 8.438 8.438 7.927 0.511 18400 1312 1 6 . 1 1 33 33 ALA N N 33 121.972 121.972 122.856 -0.884 18400 1313 1 6 . 1 1 33 33 ALA HA H 33 4.282 4.282 4.228 0.054 18400 1314 1 6 . 1 1 33 33 ALA C C 33 181.426 181.426 179.960 1.466 18400 1315 1 6 . 1 1 33 33 ALA CA C 33 55.082 55.082 55.133 -0.051 18400 1316 1 6 . 1 1 33 33 ALA CB C 33 18.720 18.720 18.559 0.161 18400 1317 1 6 . 1 1 33 33 ALA H H 33 7.099 7.099 7.425 -0.326 18400 1318 1 6 . 1 1 34 34 LEU N N 34 119.898 119.898 119.472 0.426 18400 1319 1 6 . 1 1 34 34 LEU HA H 34 4.297 4.297 4.654 -0.357 18400 1320 1 6 . 1 1 34 34 LEU C C 34 182.198 182.198 180.295 1.903 18400 1321 1 6 . 1 1 34 34 LEU CA C 34 57.310 57.310 57.197 0.113 18400 1322 1 6 . 1 1 34 34 LEU CB C 34 40.490 40.490 42.135 -1.645 18400 1323 1 6 . 1 1 34 34 LEU H H 34 8.538 8.538 8.762 -0.224 18400 1324 1 6 . 1 1 35 35 ALA N N 35 122.660 122.660 121.172 1.488 18400 1325 1 6 . 1 1 35 35 ALA HA H 35 4.222 4.222 4.132 0.090 18400 1326 1 6 . 1 1 35 35 ALA C C 35 179.762 179.762 178.773 0.989 18400 1327 1 6 . 1 1 35 35 ALA CA C 35 54.226 54.226 54.621 -0.395 18400 1328 1 6 . 1 1 35 35 ALA CB C 35 17.744 17.744 18.219 -0.475 18400 1329 1 6 . 1 1 35 35 ALA H H 35 7.741 7.741 8.537 -0.796 18400 1330 1 6 . 1 1 36 36 GLU N N 36 116.640 116.640 116.413 0.227 18400 1331 1 6 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.242 0.161 18400 1332 1 6 . 1 1 36 36 GLU C C 36 177.531 177.531 177.288 0.243 18400 1333 1 6 . 1 1 36 36 GLU CA C 36 55.856 55.856 57.139 -1.283 18400 1334 1 6 . 1 1 36 36 GLU CB C 36 29.741 29.741 30.261 -0.520 18400 1335 1 6 . 1 1 36 36 GLU H H 36 7.496 7.496 7.675 -0.179 18400 1336 1 6 . 1 1 37 37 GLY N N 37 106.885 106.885 106.498 0.387 18400 1337 1 6 . 1 1 37 37 GLY C C 37 176.072 176.072 174.444 1.628 18400 1338 1 6 . 1 1 37 37 GLY CA C 37 45.369 45.369 45.028 0.341 18400 1339 1 6 . 1 1 37 37 GLY H H 37 7.802 7.802 8.183 -0.381 18400 1340 1 6 . 1 1 38 38 LYS N N 38 120.419 120.419 121.934 -1.515 18400 1341 1 6 . 1 1 38 38 LYS HA H 38 4.479 4.479 4.503 -0.024 18400 1342 1 6 . 1 1 38 38 LYS C C 38 174.921 174.921 176.110 -1.189 18400 1343 1 6 . 1 1 38 38 LYS CA C 38 55.927 55.927 55.385 0.542 18400 1344 1 6 . 1 1 38 38 LYS CB C 38 31.850 31.850 33.455 -1.605 18400 1345 1 6 . 1 1 38 38 LYS H H 38 7.935 7.935 7.549 0.386 18400 1346 1 6 . 1 1 39 39 SER N N 39 114.172 114.172 115.841 -1.669 18400 1347 1 6 . 1 1 39 39 SER HA H 39 4.812 4.812 4.529 0.283 18400 1348 1 6 . 1 1 39 39 SER C C 39 176.690 176.690 175.972 0.718 18400 1349 1 6 . 1 1 39 39 SER CA C 39 56.473 56.473 57.449 -0.976 18400 1350 1 6 . 1 1 39 39 SER CB C 39 65.933 65.933 64.196 1.737 18400 1351 1 6 . 1 1 39 39 SER H H 39 8.579 8.579 8.517 0.062 18400 1352 1 6 . 1 1 40 40 LEU N N 40 126.212 126.212 121.663 4.549 18400 1353 1 6 . 1 1 40 40 LEU HA H 40 4.201 4.201 4.154 0.047 18400 1354 1 6 . 1 1 40 40 LEU C C 40 179.329 179.329 178.175 1.154 18400 1355 1 6 . 1 1 40 40 LEU CA C 40 58.049 58.049 55.848 2.201 18400 1356 1 6 . 1 1 40 40 LEU CB C 40 41.038 41.038 40.948 0.090 18400 1357 1 6 . 1 1 40 40 LEU H H 40 9.038 9.038 8.865 0.173 18400 1358 1 6 . 1 1 41 41 ASP N N 41 115.700 115.700 118.628 -2.928 18400 1359 1 6 . 1 1 41 41 ASP HA H 41 4.580 4.580 4.001 0.579 18400 1360 1 6 . 1 1 41 41 ASP C C 41 179.063 179.063 177.529 1.534 18400 1361 1 6 . 1 1 41 41 ASP CA C 41 56.353 56.353 57.054 -0.701 18400 1362 1 6 . 1 1 41 41 ASP CB C 41 40.217 40.217 40.219 -0.002 18400 1363 1 6 . 1 1 41 41 ASP H H 41 8.217 8.217 8.243 -0.026 18400 1364 1 6 . 1 1 42 42 ASP N N 42 119.466 119.466 119.149 0.317 18400 1365 1 6 . 1 1 42 42 ASP HA H 42 4.422 4.422 4.339 0.083 18400 1366 1 6 . 1 1 42 42 ASP C C 42 177.484 177.484 176.808 0.676 18400 1367 1 6 . 1 1 42 42 ASP CB C 42 40.234 40.234 40.726 -0.492 18400 1368 1 6 . 1 1 42 42 ASP H H 42 7.959 7.959 7.353 0.606 18400 1369 1 6 . 1 1 43 43 PHE N N 43 117.109 117.109 116.351 0.758 18400 1370 1 6 . 1 1 43 43 PHE HA H 43 4.873 4.873 4.727 0.146 18400 1371 1 6 . 1 1 43 43 PHE C C 43 175.641 175.641 174.832 0.809 18400 1372 1 6 . 1 1 43 43 PHE CA C 43 58.196 58.196 56.018 2.178 18400 1373 1 6 . 1 1 43 43 PHE CB C 43 39.344 39.344 38.864 0.480 18400 1374 1 6 . 1 1 43 43 PHE H H 43 8.320 8.320 7.268 1.052 18400 1375 1 6 . 1 1 44 44 LEU N N 44 122.188 122.188 119.190 2.998 18400 1376 1 6 . 1 1 44 44 LEU HA H 44 4.428 4.428 4.221 0.207 18400 1377 1 6 . 1 1 44 44 LEU C C 44 178.294 178.294 177.171 1.123 18400 1378 1 6 . 1 1 44 44 LEU CA C 44 56.434 56.434 55.324 1.110 18400 1379 1 6 . 1 1 44 44 LEU CB C 44 42.835 42.835 41.550 1.285 18400 1380 1 6 . 1 1 44 44 LEU H H 44 7.387 7.387 7.005 0.382 18400 1381 1 7 . 1 1 2 2 GLN N N 2 122.420 122.420 120.556 1.864 18400 1382 1 7 . 1 1 2 2 GLN HA H 2 4.665 4.665 4.730 -0.065 18400 1383 1 7 . 1 1 2 2 GLN CA C 2 53.740 53.740 54.295 -0.555 18400 1384 1 7 . 1 1 2 2 GLN CB C 2 28.509 28.509 29.136 -0.627 18400 1385 1 7 . 1 1 2 2 GLN H H 2 8.573 8.573 8.364 0.209 18400 1386 1 7 . 1 1 3 3 PRO HA H 3 4.464 4.464 4.534 -0.070 18400 1387 1 7 . 1 1 3 3 PRO C C 3 177.173 177.173 175.865 1.308 18400 1388 1 7 . 1 1 3 3 PRO CA C 3 62.946 62.946 62.105 0.841 18400 1389 1 7 . 1 1 3 3 PRO CB C 3 32.109 32.109 32.599 -0.490 18400 1390 1 7 . 1 1 4 4 ARG N N 4 122.684 122.684 121.801 0.883 18400 1391 1 7 . 1 1 4 4 ARG HA H 4 4.578 4.578 4.312 0.266 18400 1392 1 7 . 1 1 4 4 ARG CA C 4 53.646 53.646 55.797 -2.151 18400 1393 1 7 . 1 1 4 4 ARG CB C 4 29.634 29.634 28.638 0.996 18400 1394 1 7 . 1 1 4 4 ARG H H 4 8.438 8.438 8.497 -0.059 18400 1395 1 7 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.715 -0.315 18400 1396 1 7 . 1 1 5 5 PRO C C 5 177.137 177.137 175.268 1.869 18400 1397 1 7 . 1 1 5 5 PRO CA C 5 62.490 62.490 62.219 0.271 18400 1398 1 7 . 1 1 5 5 PRO CB C 5 31.928 31.928 33.115 -1.187 18400 1399 1 7 . 1 1 6 6 ALA N N 6 123.540 123.540 121.677 1.863 18400 1400 1 7 . 1 1 6 6 ALA HA H 6 3.919 3.919 4.273 -0.354 18400 1401 1 7 . 1 1 6 6 ALA C C 6 176.845 176.845 176.144 0.701 18400 1402 1 7 . 1 1 6 6 ALA CA C 6 53.270 53.270 51.276 1.994 18400 1403 1 7 . 1 1 6 6 ALA CB C 6 19.045 19.045 20.071 -1.026 18400 1404 1 7 . 1 1 6 6 ALA H H 6 8.360 8.360 8.027 0.333 18400 1405 1 7 . 1 1 7 7 LYS N N 7 121.074 121.074 119.873 1.201 18400 1406 1 7 . 1 1 7 7 LYS HA H 7 4.306 4.306 4.450 -0.144 18400 1407 1 7 . 1 1 7 7 LYS C C 7 175.113 175.113 174.328 0.785 18400 1408 1 7 . 1 1 7 7 LYS CA C 7 56.621 56.621 55.643 0.978 18400 1409 1 7 . 1 1 7 7 LYS CB C 7 36.158 36.158 32.910 3.248 18400 1410 1 7 . 1 1 7 7 LYS H H 7 7.691 7.691 7.912 -0.221 18400 1411 1 7 . 1 1 8 8 TYR N N 8 117.325 117.325 121.843 -4.518 18400 1412 1 7 . 1 1 8 8 TYR HA H 8 5.660 5.660 4.609 1.051 18400 1413 1 7 . 1 1 8 8 TYR C C 8 175.278 175.278 174.101 1.177 18400 1414 1 7 . 1 1 8 8 TYR CA C 8 56.011 56.011 56.594 -0.583 18400 1415 1 7 . 1 1 8 8 TYR CB C 8 42.531 42.531 42.842 -0.311 18400 1416 1 7 . 1 1 8 8 TYR H H 8 8.349 8.349 8.232 0.117 18400 1417 1 7 . 1 1 9 9 LYS N N 9 120.812 120.812 122.234 -1.422 18400 1418 1 7 . 1 1 9 9 LYS HA H 9 5.647 5.647 4.943 0.704 18400 1419 1 7 . 1 1 9 9 LYS C C 9 174.978 174.978 175.284 -0.306 18400 1420 1 7 . 1 1 9 9 LYS CA C 9 54.767 54.767 55.981 -1.214 18400 1421 1 7 . 1 1 9 9 LYS CB C 9 36.033 36.033 34.293 1.740 18400 1422 1 7 . 1 1 9 9 LYS H H 9 9.648 9.648 8.772 0.876 18400 1423 1 7 . 1 1 10 10 PHE N N 10 118.595 118.595 125.137 -6.542 18400 1424 1 7 . 1 1 10 10 PHE HA H 10 5.220 5.220 4.902 0.318 18400 1425 1 7 . 1 1 10 10 PHE C C 10 172.698 172.698 172.577 0.121 18400 1426 1 7 . 1 1 10 10 PHE CA C 10 55.854 55.854 56.527 -0.673 18400 1427 1 7 . 1 1 10 10 PHE CB C 10 40.607 40.607 42.168 -1.561 18400 1428 1 7 . 1 1 10 10 PHE H H 10 8.890 8.890 8.596 0.294 18400 1429 1 7 . 1 1 11 11 THR N N 11 117.249 117.249 112.430 4.819 18400 1430 1 7 . 1 1 11 11 THR HA H 11 4.745 4.745 4.281 0.464 18400 1431 1 7 . 1 1 11 11 THR C C 11 175.071 175.071 172.847 2.224 18400 1432 1 7 . 1 1 11 11 THR CA C 11 61.667 61.667 60.217 1.450 18400 1433 1 7 . 1 1 11 11 THR CB C 11 69.324 69.324 70.162 -0.839 18400 1434 1 7 . 1 1 11 11 THR H H 11 8.904 8.904 7.533 1.371 18400 1435 1 7 . 1 1 12 12 ASP N N 12 127.813 127.813 124.478 3.335 18400 1436 1 7 . 1 1 12 12 ASP HA H 12 4.903 4.903 3.915 0.988 18400 1437 1 7 . 1 1 12 12 ASP C C 12 179.041 179.041 177.683 1.358 18400 1438 1 7 . 1 1 12 12 ASP CA C 12 52.773 52.773 55.417 -2.644 18400 1439 1 7 . 1 1 12 12 ASP CB C 12 38.879 38.879 41.290 -2.411 18400 1440 1 7 . 1 1 12 12 ASP H H 12 8.993 8.993 7.984 1.009 18400 1441 1 7 . 1 1 13 13 VAL N N 13 117.388 117.388 119.298 -1.910 18400 1442 1 7 . 1 1 13 13 VAL HA H 13 3.990 3.990 3.774 0.216 18400 1443 1 7 . 1 1 13 13 VAL C C 13 176.796 176.796 175.919 0.877 18400 1444 1 7 . 1 1 13 13 VAL CA C 13 64.349 64.349 64.313 0.036 18400 1445 1 7 . 1 1 13 13 VAL CB C 13 31.652 31.652 32.053 -0.401 18400 1446 1 7 . 1 1 13 13 VAL H H 13 8.950 8.950 8.151 0.799 18400 1447 1 7 . 1 1 14 14 ASN N N 14 117.303 117.303 116.077 1.226 18400 1448 1 7 . 1 1 14 14 ASN HA H 14 4.781 4.781 4.684 0.097 18400 1449 1 7 . 1 1 14 14 ASN C C 14 176.606 176.606 175.229 1.377 18400 1450 1 7 . 1 1 14 14 ASN CB C 14 38.851 38.851 38.990 -0.139 18400 1451 1 7 . 1 1 14 14 ASN H H 14 8.011 8.011 8.215 -0.204 18400 1452 1 7 . 1 1 15 15 GLY N N 15 108.443 108.443 107.873 0.570 18400 1453 1 7 . 1 1 15 15 GLY C C 15 174.799 174.799 174.030 0.769 18400 1454 1 7 . 1 1 15 15 GLY CA C 15 45.246 45.246 44.908 0.338 18400 1455 1 7 . 1 1 15 15 GLY H H 15 8.288 8.288 7.415 0.873 18400 1456 1 7 . 1 1 16 16 GLU N N 16 122.005 122.005 119.299 2.706 18400 1457 1 7 . 1 1 16 16 GLU HA H 16 4.373 4.373 4.278 0.095 18400 1458 1 7 . 1 1 16 16 GLU C C 16 176.564 176.564 175.474 1.090 18400 1459 1 7 . 1 1 16 16 GLU CA C 16 55.798 55.798 56.164 -0.366 18400 1460 1 7 . 1 1 16 16 GLU CB C 16 30.932 30.932 30.033 0.899 18400 1461 1 7 . 1 1 16 16 GLU H H 16 8.045 8.045 8.047 -0.002 18400 1462 1 7 . 1 1 17 17 THR N N 17 120.458 120.458 113.450 7.008 18400 1463 1 7 . 1 1 17 17 THR HA H 17 4.583 4.583 5.142 -0.559 18400 1464 1 7 . 1 1 17 17 THR C C 17 174.583 174.583 173.378 1.205 18400 1465 1 7 . 1 1 17 17 THR CA C 17 63.471 63.471 61.355 2.116 18400 1466 1 7 . 1 1 17 17 THR CB C 17 69.004 69.004 69.568 -0.564 18400 1467 1 7 . 1 1 17 17 THR H H 17 8.758 8.758 8.269 0.489 18400 1468 1 7 . 1 1 18 18 LYS N N 18 129.000 129.000 122.613 6.387 18400 1469 1 7 . 1 1 18 18 LYS HA H 18 4.581 4.581 4.767 -0.186 18400 1470 1 7 . 1 1 18 18 LYS C C 18 174.995 174.995 174.931 0.064 18400 1471 1 7 . 1 1 18 18 LYS CB C 18 36.219 36.219 36.348 -0.129 18400 1472 1 7 . 1 1 18 18 LYS H H 18 8.848 8.848 8.131 0.717 18400 1473 1 7 . 1 1 19 19 THR N N 19 107.308 107.308 112.960 -5.652 18400 1474 1 7 . 1 1 19 19 THR HA H 19 5.662 5.662 4.754 0.908 18400 1475 1 7 . 1 1 19 19 THR C C 19 175.135 175.135 173.872 1.263 18400 1476 1 7 . 1 1 19 19 THR CA C 19 59.541 59.541 61.985 -2.444 18400 1477 1 7 . 1 1 19 19 THR CB C 19 72.571 72.571 69.447 3.124 18400 1478 1 7 . 1 1 19 19 THR H H 19 8.023 8.023 8.369 -0.346 18400 1479 1 7 . 1 1 20 20 TRP N N 20 120.113 120.113 127.966 -7.853 18400 1480 1 7 . 1 1 20 20 TRP HA H 20 5.793 5.793 4.559 1.234 18400 1481 1 7 . 1 1 20 20 TRP CA C 20 55.233 55.233 56.540 -1.307 18400 1482 1 7 . 1 1 20 20 TRP CB C 20 33.193 33.193 30.201 2.992 18400 1483 1 7 . 1 1 20 20 TRP H H 20 9.317 9.317 8.278 1.039 18400 1484 1 7 . 1 1 21 21 THR HA H 21 4.280 4.280 4.264 0.016 18400 1485 1 7 . 1 1 21 21 THR CA C 21 62.844 62.844 62.004 0.841 18400 1486 1 7 . 1 1 21 21 THR CB C 21 70.918 70.918 70.152 0.766 18400 1487 1 7 . 1 1 21 21 THR H H 21 8.449 8.449 7.714 0.735 18400 1488 1 7 . 1 1 22 22 GLY C C 22 172.841 172.841 173.414 -0.573 18400 1489 1 7 . 1 1 22 22 GLY CA C 22 44.229 44.229 44.522 -0.293 18400 1490 1 7 . 1 1 22 22 GLY H H 22 7.928 7.928 7.128 0.800 18400 1491 1 7 . 1 1 23 23 GLN N N 23 117.973 117.973 119.774 -1.801 18400 1492 1 7 . 1 1 23 23 GLN HA H 23 4.533 4.533 4.115 0.418 18400 1493 1 7 . 1 1 23 23 GLN C C 23 176.979 176.979 175.640 1.339 18400 1494 1 7 . 1 1 23 23 GLN CA C 23 54.099 54.099 57.542 -3.443 18400 1495 1 7 . 1 1 23 23 GLN CB C 23 30.565 30.565 29.515 1.050 18400 1496 1 7 . 1 1 23 23 GLN H H 23 7.141 7.141 6.964 0.177 18400 1497 1 7 . 1 1 24 24 GLY N N 24 111.998 111.998 106.718 5.280 18400 1498 1 7 . 1 1 24 24 GLY C C 24 174.510 174.510 173.344 1.166 18400 1499 1 7 . 1 1 24 24 GLY CA C 24 44.906 44.906 45.307 -0.401 18400 1500 1 7 . 1 1 24 24 GLY H H 24 8.841 8.841 8.530 0.311 18400 1501 1 7 . 1 1 25 25 ARG N N 25 121.958 121.958 123.264 -1.306 18400 1502 1 7 . 1 1 25 25 ARG HA H 25 4.179 4.179 4.365 -0.186 18400 1503 1 7 . 1 1 25 25 ARG C C 25 177.025 177.025 175.760 1.265 18400 1504 1 7 . 1 1 25 25 ARG CA C 25 56.285 56.285 56.514 -0.229 18400 1505 1 7 . 1 1 25 25 ARG CB C 25 29.885 29.885 30.177 -0.292 18400 1506 1 7 . 1 1 25 25 ARG H H 25 8.444 8.444 8.338 0.106 18400 1507 1 7 . 1 1 26 26 THR N N 26 122.468 122.468 119.278 3.190 18400 1508 1 7 . 1 1 26 26 THR HA H 26 3.226 3.226 4.793 -1.567 18400 1509 1 7 . 1 1 26 26 THR CA C 26 60.422 60.422 59.101 1.321 18400 1510 1 7 . 1 1 26 26 THR CB C 26 69.088 69.088 68.898 0.190 18400 1511 1 7 . 1 1 26 26 THR H H 26 8.369 8.369 8.411 -0.042 18400 1512 1 7 . 1 1 27 27 PRO HA H 27 3.867 3.867 4.155 -0.288 18400 1513 1 7 . 1 1 27 27 PRO C C 27 177.571 177.571 178.118 -0.547 18400 1514 1 7 . 1 1 27 27 PRO CA C 27 62.174 62.174 62.902 -0.728 18400 1515 1 7 . 1 1 27 27 PRO CB C 27 32.818 32.818 31.920 0.898 18400 1516 1 7 . 1 1 28 28 LYS N N 28 126.298 126.298 121.903 4.395 18400 1517 1 7 . 1 1 28 28 LYS HA H 28 3.925 3.925 3.969 -0.044 18400 1518 1 7 . 1 1 28 28 LYS CA C 28 60.815 60.815 60.682 0.133 18400 1519 1 7 . 1 1 28 28 LYS H H 28 8.903 8.903 8.845 0.058 18400 1520 1 7 . 1 1 29 29 PRO HA H 29 4.289 4.289 4.200 0.089 18400 1521 1 7 . 1 1 29 29 PRO C C 29 180.695 180.695 178.768 1.927 18400 1522 1 7 . 1 1 29 29 PRO CA C 29 65.875 65.875 65.338 0.537 18400 1523 1 7 . 1 1 29 29 PRO CB C 29 31.770 31.770 31.003 0.767 18400 1524 1 7 . 1 1 30 30 ILE N N 30 114.387 114.387 117.973 -3.586 18400 1525 1 7 . 1 1 30 30 ILE HA H 30 3.021 3.021 3.639 -0.618 18400 1526 1 7 . 1 1 30 30 ILE C C 30 176.633 176.633 178.120 -1.487 18400 1527 1 7 . 1 1 30 30 ILE CA C 30 63.949 63.949 63.955 -0.006 18400 1528 1 7 . 1 1 30 30 ILE CB C 30 36.650 36.650 36.837 -0.187 18400 1529 1 7 . 1 1 30 30 ILE H H 30 6.051 6.051 7.887 -1.836 18400 1530 1 7 . 1 1 31 31 ALA N N 31 123.060 123.060 122.264 0.796 18400 1531 1 7 . 1 1 31 31 ALA HA H 31 3.720 3.720 4.013 -0.293 18400 1532 1 7 . 1 1 31 31 ALA C C 31 181.571 181.571 179.633 1.938 18400 1533 1 7 . 1 1 31 31 ALA CA C 31 55.456 55.456 55.672 -0.216 18400 1534 1 7 . 1 1 31 31 ALA CB C 31 17.825 17.825 17.875 -0.050 18400 1535 1 7 . 1 1 31 31 ALA H H 31 7.922 7.922 8.832 -0.910 18400 1536 1 7 . 1 1 32 32 GLN N N 32 117.568 117.568 119.177 -1.609 18400 1537 1 7 . 1 1 32 32 GLN HA H 32 3.934 3.934 4.025 -0.091 18400 1538 1 7 . 1 1 32 32 GLN C C 32 178.025 178.025 177.920 0.105 18400 1539 1 7 . 1 1 32 32 GLN CA C 32 58.424 58.424 58.829 -0.405 18400 1540 1 7 . 1 1 32 32 GLN CB C 32 28.285 28.285 28.546 -0.261 18400 1541 1 7 . 1 1 32 32 GLN H H 32 8.438 8.438 7.667 0.771 18400 1542 1 7 . 1 1 33 33 ALA N N 33 121.972 121.972 122.611 -0.639 18400 1543 1 7 . 1 1 33 33 ALA HA H 33 4.282 4.282 4.069 0.213 18400 1544 1 7 . 1 1 33 33 ALA C C 33 181.426 181.426 179.999 1.427 18400 1545 1 7 . 1 1 33 33 ALA CA C 33 55.082 55.082 54.889 0.193 18400 1546 1 7 . 1 1 33 33 ALA CB C 33 18.720 18.720 17.931 0.789 18400 1547 1 7 . 1 1 33 33 ALA H H 33 7.099 7.099 7.377 -0.278 18400 1548 1 7 . 1 1 34 34 LEU N N 34 119.898 119.898 118.821 1.077 18400 1549 1 7 . 1 1 34 34 LEU HA H 34 4.297 4.297 4.801 -0.504 18400 1550 1 7 . 1 1 34 34 LEU C C 34 182.198 182.198 180.076 2.122 18400 1551 1 7 . 1 1 34 34 LEU CA C 34 57.310 57.310 56.858 0.452 18400 1552 1 7 . 1 1 34 34 LEU CB C 34 40.490 40.490 42.308 -1.818 18400 1553 1 7 . 1 1 34 34 LEU H H 34 8.538 8.538 8.828 -0.290 18400 1554 1 7 . 1 1 35 35 ALA N N 35 122.660 122.660 122.269 0.391 18400 1555 1 7 . 1 1 35 35 ALA HA H 35 4.222 4.222 4.112 0.110 18400 1556 1 7 . 1 1 35 35 ALA C C 35 179.762 179.762 179.128 0.634 18400 1557 1 7 . 1 1 35 35 ALA CA C 35 54.226 54.226 54.715 -0.489 18400 1558 1 7 . 1 1 35 35 ALA CB C 35 17.744 17.744 18.164 -0.420 18400 1559 1 7 . 1 1 35 35 ALA H H 35 7.741 7.741 8.300 -0.559 18400 1560 1 7 . 1 1 36 36 GLU N N 36 116.640 116.640 115.888 0.752 18400 1561 1 7 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.290 0.113 18400 1562 1 7 . 1 1 36 36 GLU C C 36 177.531 177.531 177.620 -0.089 18400 1563 1 7 . 1 1 36 36 GLU CA C 36 55.856 55.856 56.619 -0.763 18400 1564 1 7 . 1 1 36 36 GLU CB C 36 29.741 29.741 30.033 -0.292 18400 1565 1 7 . 1 1 36 36 GLU H H 36 7.496 7.496 7.705 -0.209 18400 1566 1 7 . 1 1 37 37 GLY N N 37 106.885 106.885 107.177 -0.292 18400 1567 1 7 . 1 1 37 37 GLY C C 37 176.072 176.072 174.554 1.518 18400 1568 1 7 . 1 1 37 37 GLY CA C 37 45.369 45.369 44.936 0.433 18400 1569 1 7 . 1 1 37 37 GLY H H 37 7.802 7.802 8.196 -0.394 18400 1570 1 7 . 1 1 38 38 LYS N N 38 120.419 120.419 121.268 -0.849 18400 1571 1 7 . 1 1 38 38 LYS HA H 38 4.479 4.479 4.584 -0.105 18400 1572 1 7 . 1 1 38 38 LYS C C 38 174.921 174.921 175.962 -1.041 18400 1573 1 7 . 1 1 38 38 LYS CA C 38 55.927 55.927 55.478 0.449 18400 1574 1 7 . 1 1 38 38 LYS CB C 38 31.850 31.850 33.973 -2.123 18400 1575 1 7 . 1 1 38 38 LYS H H 38 7.935 7.935 7.775 0.160 18400 1576 1 7 . 1 1 39 39 SER N N 39 114.172 114.172 114.734 -0.562 18400 1577 1 7 . 1 1 39 39 SER HA H 39 4.812 4.812 4.516 0.296 18400 1578 1 7 . 1 1 39 39 SER C C 39 176.690 176.690 175.850 0.840 18400 1579 1 7 . 1 1 39 39 SER CA C 39 56.473 56.473 57.910 -1.437 18400 1580 1 7 . 1 1 39 39 SER CB C 39 65.933 65.933 64.532 1.401 18400 1581 1 7 . 1 1 39 39 SER H H 39 8.579 8.579 8.493 0.086 18400 1582 1 7 . 1 1 40 40 LEU N N 40 126.212 126.212 122.022 4.190 18400 1583 1 7 . 1 1 40 40 LEU HA H 40 4.201 4.201 2.926 1.275 18400 1584 1 7 . 1 1 40 40 LEU C C 40 179.329 179.329 177.687 1.642 18400 1585 1 7 . 1 1 40 40 LEU CA C 40 58.049 58.049 56.257 1.792 18400 1586 1 7 . 1 1 40 40 LEU CB C 40 41.038 41.038 41.684 -0.646 18400 1587 1 7 . 1 1 40 40 LEU H H 40 9.038 9.038 8.957 0.081 18400 1588 1 7 . 1 1 41 41 ASP N N 41 115.700 115.700 119.230 -3.530 18400 1589 1 7 . 1 1 41 41 ASP HA H 41 4.580 4.580 4.024 0.556 18400 1590 1 7 . 1 1 41 41 ASP C C 41 179.063 179.063 177.337 1.726 18400 1591 1 7 . 1 1 41 41 ASP CA C 41 56.353 56.353 56.637 -0.284 18400 1592 1 7 . 1 1 41 41 ASP CB C 41 40.217 40.217 40.021 0.196 18400 1593 1 7 . 1 1 41 41 ASP H H 41 8.217 8.217 8.036 0.181 18400 1594 1 7 . 1 1 42 42 ASP N N 42 119.466 119.466 118.394 1.072 18400 1595 1 7 . 1 1 42 42 ASP HA H 42 4.422 4.422 4.503 -0.081 18400 1596 1 7 . 1 1 42 42 ASP C C 42 177.484 177.484 177.115 0.369 18400 1597 1 7 . 1 1 42 42 ASP CB C 42 40.234 40.234 41.351 -1.117 18400 1598 1 7 . 1 1 42 42 ASP H H 42 7.959 7.959 7.157 0.802 18400 1599 1 7 . 1 1 43 43 PHE N N 43 117.109 117.109 115.458 1.651 18400 1600 1 7 . 1 1 43 43 PHE HA H 43 4.873 4.873 4.745 0.128 18400 1601 1 7 . 1 1 43 43 PHE C C 43 175.641 175.641 174.315 1.326 18400 1602 1 7 . 1 1 43 43 PHE CA C 43 58.196 58.196 54.711 3.485 18400 1603 1 7 . 1 1 43 43 PHE CB C 43 39.344 39.344 37.834 1.510 18400 1604 1 7 . 1 1 43 43 PHE H H 43 8.320 8.320 6.636 1.684 18400 1605 1 7 . 1 1 44 44 LEU N N 44 122.188 122.188 120.089 2.099 18400 1606 1 7 . 1 1 44 44 LEU HA H 44 4.428 4.428 4.090 0.338 18400 1607 1 7 . 1 1 44 44 LEU C C 44 178.294 178.294 176.775 1.519 18400 1608 1 7 . 1 1 44 44 LEU CA C 44 56.434 56.434 54.614 1.820 18400 1609 1 7 . 1 1 44 44 LEU CB C 44 42.835 42.835 41.927 0.908 18400 1610 1 7 . 1 1 44 44 LEU H H 44 7.387 7.387 7.056 0.331 18400 1611 1 8 . 1 1 2 2 GLN N N 2 122.420 122.420 123.072 -0.652 18400 1612 1 8 . 1 1 2 2 GLN HA H 2 4.665 4.665 4.197 0.468 18400 1613 1 8 . 1 1 2 2 GLN CA C 2 53.740 53.740 55.138 -1.398 18400 1614 1 8 . 1 1 2 2 GLN CB C 2 28.509 28.509 28.909 -0.400 18400 1615 1 8 . 1 1 2 2 GLN H H 2 8.573 8.573 8.121 0.452 18400 1616 1 8 . 1 1 3 3 PRO HA H 3 4.464 4.464 4.491 -0.027 18400 1617 1 8 . 1 1 3 3 PRO C C 3 177.173 177.173 175.379 1.794 18400 1618 1 8 . 1 1 3 3 PRO CA C 3 62.946 62.946 62.075 0.871 18400 1619 1 8 . 1 1 3 3 PRO CB C 3 32.109 32.109 32.611 -0.502 18400 1620 1 8 . 1 1 4 4 ARG N N 4 122.684 122.684 120.998 1.686 18400 1621 1 8 . 1 1 4 4 ARG HA H 4 4.578 4.578 4.180 0.398 18400 1622 1 8 . 1 1 4 4 ARG CA C 4 53.646 53.646 55.789 -2.143 18400 1623 1 8 . 1 1 4 4 ARG CB C 4 29.634 29.634 29.731 -0.097 18400 1624 1 8 . 1 1 4 4 ARG H H 4 8.438 8.438 8.544 -0.106 18400 1625 1 8 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.547 -0.147 18400 1626 1 8 . 1 1 5 5 PRO C C 5 177.137 177.137 175.637 1.500 18400 1627 1 8 . 1 1 5 5 PRO CA C 5 62.490 62.490 62.066 0.424 18400 1628 1 8 . 1 1 5 5 PRO CB C 5 31.928 31.928 32.120 -0.192 18400 1629 1 8 . 1 1 6 6 ALA N N 6 123.540 123.540 127.188 -3.648 18400 1630 1 8 . 1 1 6 6 ALA HA H 6 3.919 3.919 4.268 -0.349 18400 1631 1 8 . 1 1 6 6 ALA C C 6 176.845 176.845 176.370 0.475 18400 1632 1 8 . 1 1 6 6 ALA CA C 6 53.270 53.270 51.186 2.084 18400 1633 1 8 . 1 1 6 6 ALA CB C 6 19.045 19.045 19.823 -0.778 18400 1634 1 8 . 1 1 6 6 ALA H H 6 8.360 8.360 7.755 0.605 18400 1635 1 8 . 1 1 7 7 LYS N N 7 121.074 121.074 120.095 0.979 18400 1636 1 8 . 1 1 7 7 LYS HA H 7 4.306 4.306 4.258 0.048 18400 1637 1 8 . 1 1 7 7 LYS C C 7 175.113 175.113 174.520 0.593 18400 1638 1 8 . 1 1 7 7 LYS CA C 7 56.621 56.621 55.604 1.017 18400 1639 1 8 . 1 1 7 7 LYS CB C 7 36.158 36.158 31.861 4.297 18400 1640 1 8 . 1 1 7 7 LYS H H 7 7.691 7.691 7.923 -0.232 18400 1641 1 8 . 1 1 8 8 TYR N N 8 117.325 117.325 121.823 -4.498 18400 1642 1 8 . 1 1 8 8 TYR HA H 8 5.660 5.660 4.629 1.031 18400 1643 1 8 . 1 1 8 8 TYR C C 8 175.278 175.278 174.106 1.172 18400 1644 1 8 . 1 1 8 8 TYR CA C 8 56.011 56.011 56.569 -0.557 18400 1645 1 8 . 1 1 8 8 TYR CB C 8 42.531 42.531 42.931 -0.400 18400 1646 1 8 . 1 1 8 8 TYR H H 8 8.349 8.349 8.241 0.108 18400 1647 1 8 . 1 1 9 9 LYS N N 9 120.812 120.812 122.394 -1.582 18400 1648 1 8 . 1 1 9 9 LYS HA H 9 5.647 5.647 4.911 0.736 18400 1649 1 8 . 1 1 9 9 LYS C C 9 174.978 174.978 175.172 -0.194 18400 1650 1 8 . 1 1 9 9 LYS CA C 9 54.767 54.767 55.913 -1.146 18400 1651 1 8 . 1 1 9 9 LYS CB C 9 36.033 36.033 34.454 1.579 18400 1652 1 8 . 1 1 9 9 LYS H H 9 9.648 9.648 8.873 0.775 18400 1653 1 8 . 1 1 10 10 PHE N N 10 118.595 118.595 124.988 -6.393 18400 1654 1 8 . 1 1 10 10 PHE HA H 10 5.220 5.220 4.912 0.308 18400 1655 1 8 . 1 1 10 10 PHE C C 10 172.698 172.698 172.584 0.114 18400 1656 1 8 . 1 1 10 10 PHE CA C 10 55.854 55.854 56.095 -0.241 18400 1657 1 8 . 1 1 10 10 PHE CB C 10 40.607 40.607 41.467 -0.860 18400 1658 1 8 . 1 1 10 10 PHE H H 10 8.890 8.890 8.499 0.391 18400 1659 1 8 . 1 1 11 11 THR N N 11 117.249 117.249 116.246 1.003 18400 1660 1 8 . 1 1 11 11 THR HA H 11 4.745 4.745 4.131 0.614 18400 1661 1 8 . 1 1 11 11 THR C C 11 175.071 175.071 172.939 2.132 18400 1662 1 8 . 1 1 11 11 THR CA C 11 61.667 61.667 60.916 0.751 18400 1663 1 8 . 1 1 11 11 THR CB C 11 69.324 69.324 68.434 0.889 18400 1664 1 8 . 1 1 11 11 THR H H 11 8.904 8.904 7.812 1.092 18400 1665 1 8 . 1 1 12 12 ASP N N 12 127.813 127.813 125.864 1.949 18400 1666 1 8 . 1 1 12 12 ASP HA H 12 4.903 4.903 3.850 1.053 18400 1667 1 8 . 1 1 12 12 ASP C C 12 179.041 179.041 177.536 1.505 18400 1668 1 8 . 1 1 12 12 ASP CA C 12 52.773 52.773 53.984 -1.211 18400 1669 1 8 . 1 1 12 12 ASP CB C 12 38.879 38.879 42.944 -4.066 18400 1670 1 8 . 1 1 12 12 ASP H H 12 8.993 8.993 8.259 0.734 18400 1671 1 8 . 1 1 13 13 VAL N N 13 117.388 117.388 121.880 -4.492 18400 1672 1 8 . 1 1 13 13 VAL HA H 13 3.990 3.990 3.750 0.240 18400 1673 1 8 . 1 1 13 13 VAL C C 13 176.796 176.796 175.935 0.861 18400 1674 1 8 . 1 1 13 13 VAL CA C 13 64.349 64.349 64.248 0.101 18400 1675 1 8 . 1 1 13 13 VAL CB C 13 31.652 31.652 32.233 -0.581 18400 1676 1 8 . 1 1 13 13 VAL H H 13 8.950 8.950 8.605 0.345 18400 1677 1 8 . 1 1 14 14 ASN N N 14 117.303 117.303 116.147 1.156 18400 1678 1 8 . 1 1 14 14 ASN HA H 14 4.781 4.781 4.636 0.145 18400 1679 1 8 . 1 1 14 14 ASN C C 14 176.606 176.606 175.798 0.808 18400 1680 1 8 . 1 1 14 14 ASN CB C 14 38.851 38.851 39.720 -0.869 18400 1681 1 8 . 1 1 14 14 ASN H H 14 8.011 8.011 7.674 0.337 18400 1682 1 8 . 1 1 15 15 GLY N N 15 108.443 108.443 108.244 0.199 18400 1683 1 8 . 1 1 15 15 GLY C C 15 174.799 174.799 173.096 1.703 18400 1684 1 8 . 1 1 15 15 GLY CA C 15 45.246 45.246 44.907 0.339 18400 1685 1 8 . 1 1 15 15 GLY H H 15 8.288 8.288 7.705 0.583 18400 1686 1 8 . 1 1 16 16 GLU N N 16 122.005 122.005 119.394 2.611 18400 1687 1 8 . 1 1 16 16 GLU HA H 16 4.373 4.373 4.216 0.157 18400 1688 1 8 . 1 1 16 16 GLU C C 16 176.564 176.564 175.643 0.921 18400 1689 1 8 . 1 1 16 16 GLU CA C 16 55.798 55.798 56.236 -0.438 18400 1690 1 8 . 1 1 16 16 GLU CB C 16 30.932 30.932 29.843 1.089 18400 1691 1 8 . 1 1 16 16 GLU H H 16 8.045 8.045 8.059 -0.014 18400 1692 1 8 . 1 1 17 17 THR N N 17 120.458 120.458 119.708 0.750 18400 1693 1 8 . 1 1 17 17 THR HA H 17 4.583 4.583 5.065 -0.482 18400 1694 1 8 . 1 1 17 17 THR C C 17 174.583 174.583 174.099 0.484 18400 1695 1 8 . 1 1 17 17 THR CA C 17 63.471 63.471 61.192 2.279 18400 1696 1 8 . 1 1 17 17 THR CB C 17 69.004 69.004 69.307 -0.303 18400 1697 1 8 . 1 1 17 17 THR H H 17 8.758 8.758 8.406 0.352 18400 1698 1 8 . 1 1 18 18 LYS N N 18 129.000 129.000 126.397 2.603 18400 1699 1 8 . 1 1 18 18 LYS HA H 18 4.581 4.581 4.703 -0.122 18400 1700 1 8 . 1 1 18 18 LYS C C 18 174.995 174.995 175.238 -0.243 18400 1701 1 8 . 1 1 18 18 LYS CB C 18 36.219 36.219 36.589 -0.370 18400 1702 1 8 . 1 1 18 18 LYS H H 18 8.848 8.848 8.348 0.500 18400 1703 1 8 . 1 1 19 19 THR N N 19 107.308 107.308 113.451 -6.143 18400 1704 1 8 . 1 1 19 19 THR HA H 19 5.662 5.662 4.617 1.045 18400 1705 1 8 . 1 1 19 19 THR C C 19 175.135 175.135 173.832 1.303 18400 1706 1 8 . 1 1 19 19 THR CA C 19 59.541 59.541 62.440 -2.899 18400 1707 1 8 . 1 1 19 19 THR CB C 19 72.571 72.571 69.279 3.292 18400 1708 1 8 . 1 1 19 19 THR H H 19 8.023 8.023 8.366 -0.343 18400 1709 1 8 . 1 1 20 20 TRP N N 20 120.113 120.113 127.036 -6.923 18400 1710 1 8 . 1 1 20 20 TRP HA H 20 5.793 5.793 4.556 1.238 18400 1711 1 8 . 1 1 20 20 TRP CA C 20 55.233 55.233 56.754 -1.520 18400 1712 1 8 . 1 1 20 20 TRP CB C 20 33.193 33.193 30.865 2.328 18400 1713 1 8 . 1 1 20 20 TRP H H 20 9.317 9.317 8.065 1.252 18400 1714 1 8 . 1 1 21 21 THR HA H 21 4.280 4.280 4.222 0.058 18400 1715 1 8 . 1 1 21 21 THR CA C 21 62.844 62.844 61.183 1.661 18400 1716 1 8 . 1 1 21 21 THR CB C 21 70.918 70.918 69.707 1.211 18400 1717 1 8 . 1 1 21 21 THR H H 21 8.449 8.449 7.528 0.921 18400 1718 1 8 . 1 1 22 22 GLY C C 22 172.841 172.841 173.575 -0.734 18400 1719 1 8 . 1 1 22 22 GLY CA C 22 44.229 44.229 44.653 -0.424 18400 1720 1 8 . 1 1 22 22 GLY H H 22 7.928 7.928 7.423 0.505 18400 1721 1 8 . 1 1 23 23 GLN N N 23 117.973 117.973 121.489 -3.516 18400 1722 1 8 . 1 1 23 23 GLN HA H 23 4.533 4.533 4.153 0.380 18400 1723 1 8 . 1 1 23 23 GLN C C 23 176.979 176.979 176.839 0.140 18400 1724 1 8 . 1 1 23 23 GLN CA C 23 54.099 54.099 54.569 -0.470 18400 1725 1 8 . 1 1 23 23 GLN CB C 23 30.565 30.565 26.834 3.731 18400 1726 1 8 . 1 1 23 23 GLN H H 23 7.141 7.141 7.435 -0.294 18400 1727 1 8 . 1 1 24 24 GLY N N 24 111.998 111.998 110.648 1.350 18400 1728 1 8 . 1 1 24 24 GLY C C 24 174.510 174.510 174.637 -0.127 18400 1729 1 8 . 1 1 24 24 GLY CA C 24 44.906 44.906 45.809 -0.903 18400 1730 1 8 . 1 1 24 24 GLY H H 24 8.841 8.841 8.428 0.413 18400 1731 1 8 . 1 1 25 25 ARG N N 25 121.958 121.958 124.346 -2.388 18400 1732 1 8 . 1 1 25 25 ARG HA H 25 4.179 4.179 4.244 -0.065 18400 1733 1 8 . 1 1 25 25 ARG C C 25 177.025 177.025 175.401 1.624 18400 1734 1 8 . 1 1 25 25 ARG CA C 25 56.285 56.285 57.030 -0.745 18400 1735 1 8 . 1 1 25 25 ARG CB C 25 29.885 29.885 30.559 -0.674 18400 1736 1 8 . 1 1 25 25 ARG H H 25 8.444 8.444 8.367 0.077 18400 1737 1 8 . 1 1 26 26 THR N N 26 122.468 122.468 118.986 3.482 18400 1738 1 8 . 1 1 26 26 THR HA H 26 3.226 3.226 4.746 -1.520 18400 1739 1 8 . 1 1 26 26 THR CA C 26 60.422 60.422 59.045 1.377 18400 1740 1 8 . 1 1 26 26 THR CB C 26 69.088 69.088 68.737 0.351 18400 1741 1 8 . 1 1 26 26 THR H H 26 8.369 8.369 8.443 -0.074 18400 1742 1 8 . 1 1 27 27 PRO HA H 27 3.867 3.867 4.206 -0.339 18400 1743 1 8 . 1 1 27 27 PRO C C 27 177.571 177.571 178.300 -0.729 18400 1744 1 8 . 1 1 27 27 PRO CA C 27 62.174 62.174 62.858 -0.684 18400 1745 1 8 . 1 1 27 27 PRO CB C 27 32.818 32.818 32.031 0.788 18400 1746 1 8 . 1 1 28 28 LYS N N 28 126.298 126.298 121.739 4.559 18400 1747 1 8 . 1 1 28 28 LYS HA H 28 3.925 3.925 3.976 -0.051 18400 1748 1 8 . 1 1 28 28 LYS CA C 28 60.815 60.815 61.617 -0.803 18400 1749 1 8 . 1 1 28 28 LYS H H 28 8.903 8.903 8.834 0.069 18400 1750 1 8 . 1 1 29 29 PRO HA H 29 4.289 4.289 4.243 0.046 18400 1751 1 8 . 1 1 29 29 PRO C C 29 180.695 180.695 178.849 1.846 18400 1752 1 8 . 1 1 29 29 PRO CA C 29 65.875 65.875 65.492 0.383 18400 1753 1 8 . 1 1 29 29 PRO CB C 29 31.770 31.770 31.037 0.733 18400 1754 1 8 . 1 1 30 30 ILE N N 30 114.387 114.387 118.126 -3.739 18400 1755 1 8 . 1 1 30 30 ILE HA H 30 3.021 3.021 4.008 -0.987 18400 1756 1 8 . 1 1 30 30 ILE C C 30 176.633 176.633 178.119 -1.486 18400 1757 1 8 . 1 1 30 30 ILE CA C 30 63.949 63.949 63.361 0.588 18400 1758 1 8 . 1 1 30 30 ILE CB C 30 36.650 36.650 36.505 0.145 18400 1759 1 8 . 1 1 30 30 ILE H H 30 6.051 6.051 7.947 -1.896 18400 1760 1 8 . 1 1 31 31 ALA N N 31 123.060 123.060 122.540 0.520 18400 1761 1 8 . 1 1 31 31 ALA HA H 31 3.720 3.720 3.978 -0.258 18400 1762 1 8 . 1 1 31 31 ALA C C 31 181.571 181.571 179.587 1.984 18400 1763 1 8 . 1 1 31 31 ALA CA C 31 55.456 55.456 55.822 -0.366 18400 1764 1 8 . 1 1 31 31 ALA CB C 31 17.825 17.825 17.826 -0.001 18400 1765 1 8 . 1 1 31 31 ALA H H 31 7.922 7.922 8.830 -0.908 18400 1766 1 8 . 1 1 32 32 GLN N N 32 117.568 117.568 119.061 -1.493 18400 1767 1 8 . 1 1 32 32 GLN HA H 32 3.934 3.934 4.089 -0.155 18400 1768 1 8 . 1 1 32 32 GLN C C 32 178.025 178.025 178.177 -0.152 18400 1769 1 8 . 1 1 32 32 GLN CA C 32 58.424 58.424 58.834 -0.409 18400 1770 1 8 . 1 1 32 32 GLN CB C 32 28.285 28.285 28.570 -0.285 18400 1771 1 8 . 1 1 32 32 GLN H H 32 8.438 8.438 7.922 0.516 18400 1772 1 8 . 1 1 33 33 ALA N N 33 121.972 121.972 122.700 -0.728 18400 1773 1 8 . 1 1 33 33 ALA HA H 33 4.282 4.282 4.387 -0.105 18400 1774 1 8 . 1 1 33 33 ALA C C 33 181.426 181.426 179.622 1.804 18400 1775 1 8 . 1 1 33 33 ALA CA C 33 55.082 55.082 54.910 0.173 18400 1776 1 8 . 1 1 33 33 ALA CB C 33 18.720 18.720 18.747 -0.027 18400 1777 1 8 . 1 1 33 33 ALA H H 33 7.099 7.099 7.447 -0.348 18400 1778 1 8 . 1 1 34 34 LEU N N 34 119.898 119.898 119.252 0.646 18400 1779 1 8 . 1 1 34 34 LEU HA H 34 4.297 4.297 4.612 -0.315 18400 1780 1 8 . 1 1 34 34 LEU C C 34 182.198 182.198 180.341 1.857 18400 1781 1 8 . 1 1 34 34 LEU CA C 34 57.310 57.310 57.064 0.246 18400 1782 1 8 . 1 1 34 34 LEU CB C 34 40.490 40.490 42.180 -1.690 18400 1783 1 8 . 1 1 34 34 LEU H H 34 8.538 8.538 8.828 -0.290 18400 1784 1 8 . 1 1 35 35 ALA N N 35 122.660 122.660 122.027 0.633 18400 1785 1 8 . 1 1 35 35 ALA HA H 35 4.222 4.222 4.104 0.118 18400 1786 1 8 . 1 1 35 35 ALA C C 35 179.762 179.762 179.050 0.712 18400 1787 1 8 . 1 1 35 35 ALA CA C 35 54.226 54.226 54.598 -0.372 18400 1788 1 8 . 1 1 35 35 ALA CB C 35 17.744 17.744 18.287 -0.543 18400 1789 1 8 . 1 1 35 35 ALA H H 35 7.741 7.741 8.517 -0.776 18400 1790 1 8 . 1 1 36 36 GLU N N 36 116.640 116.640 115.810 0.830 18400 1791 1 8 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.254 0.149 18400 1792 1 8 . 1 1 36 36 GLU C C 36 177.531 177.531 177.095 0.436 18400 1793 1 8 . 1 1 36 36 GLU CA C 36 55.856 55.856 56.872 -1.016 18400 1794 1 8 . 1 1 36 36 GLU CB C 36 29.741 29.741 30.041 -0.300 18400 1795 1 8 . 1 1 36 36 GLU H H 36 7.496 7.496 7.652 -0.156 18400 1796 1 8 . 1 1 37 37 GLY N N 37 106.885 106.885 106.558 0.327 18400 1797 1 8 . 1 1 37 37 GLY C C 37 176.072 176.072 174.589 1.483 18400 1798 1 8 . 1 1 37 37 GLY CA C 37 45.369 45.369 44.840 0.529 18400 1799 1 8 . 1 1 37 37 GLY H H 37 7.802 7.802 8.011 -0.209 18400 1800 1 8 . 1 1 38 38 LYS N N 38 120.419 120.419 121.228 -0.809 18400 1801 1 8 . 1 1 38 38 LYS HA H 38 4.479 4.479 4.558 -0.079 18400 1802 1 8 . 1 1 38 38 LYS C C 38 174.921 174.921 175.562 -0.641 18400 1803 1 8 . 1 1 38 38 LYS CA C 38 55.927 55.927 55.281 0.646 18400 1804 1 8 . 1 1 38 38 LYS CB C 38 31.850 31.850 33.704 -1.854 18400 1805 1 8 . 1 1 38 38 LYS H H 38 7.935 7.935 7.570 0.365 18400 1806 1 8 . 1 1 39 39 SER N N 39 114.172 114.172 114.363 -0.191 18400 1807 1 8 . 1 1 39 39 SER HA H 39 4.812 4.812 4.462 0.350 18400 1808 1 8 . 1 1 39 39 SER C C 39 176.690 176.690 175.903 0.787 18400 1809 1 8 . 1 1 39 39 SER CA C 39 56.473 56.473 57.148 -0.675 18400 1810 1 8 . 1 1 39 39 SER CB C 39 65.933 65.933 64.250 1.683 18400 1811 1 8 . 1 1 39 39 SER H H 39 8.579 8.579 8.451 0.128 18400 1812 1 8 . 1 1 40 40 LEU N N 40 126.212 126.212 123.389 2.823 18400 1813 1 8 . 1 1 40 40 LEU HA H 40 4.201 4.201 4.004 0.197 18400 1814 1 8 . 1 1 40 40 LEU C C 40 179.329 179.329 177.473 1.856 18400 1815 1 8 . 1 1 40 40 LEU CA C 40 58.049 58.049 55.496 2.553 18400 1816 1 8 . 1 1 40 40 LEU CB C 40 41.038 41.038 42.211 -1.173 18400 1817 1 8 . 1 1 40 40 LEU H H 40 9.038 9.038 9.067 -0.029 18400 1818 1 8 . 1 1 41 41 ASP N N 41 115.700 115.700 119.333 -3.633 18400 1819 1 8 . 1 1 41 41 ASP HA H 41 4.580 4.580 4.006 0.574 18400 1820 1 8 . 1 1 41 41 ASP C C 41 179.063 179.063 177.948 1.115 18400 1821 1 8 . 1 1 41 41 ASP CA C 41 56.353 56.353 57.474 -1.121 18400 1822 1 8 . 1 1 41 41 ASP CB C 41 40.217 40.217 40.214 0.003 18400 1823 1 8 . 1 1 41 41 ASP H H 41 8.217 8.217 8.203 0.014 18400 1824 1 8 . 1 1 42 42 ASP N N 42 119.466 119.466 119.101 0.365 18400 1825 1 8 . 1 1 42 42 ASP HA H 42 4.422 4.422 4.421 0.001 18400 1826 1 8 . 1 1 42 42 ASP C C 42 177.484 177.484 176.988 0.496 18400 1827 1 8 . 1 1 42 42 ASP CB C 42 40.234 40.234 40.947 -0.713 18400 1828 1 8 . 1 1 42 42 ASP H H 42 7.959 7.959 7.370 0.589 18400 1829 1 8 . 1 1 43 43 PHE N N 43 117.109 117.109 115.654 1.455 18400 1830 1 8 . 1 1 43 43 PHE HA H 43 4.873 4.873 4.750 0.123 18400 1831 1 8 . 1 1 43 43 PHE C C 43 175.641 175.641 174.632 1.009 18400 1832 1 8 . 1 1 43 43 PHE CA C 43 58.196 58.196 54.855 3.341 18400 1833 1 8 . 1 1 43 43 PHE CB C 43 39.344 39.344 38.503 0.841 18400 1834 1 8 . 1 1 43 43 PHE H H 43 8.320 8.320 7.278 1.042 18400 1835 1 8 . 1 1 44 44 LEU N N 44 122.188 122.188 119.946 2.242 18400 1836 1 8 . 1 1 44 44 LEU HA H 44 4.428 4.428 4.193 0.235 18400 1837 1 8 . 1 1 44 44 LEU C C 44 178.294 178.294 176.883 1.411 18400 1838 1 8 . 1 1 44 44 LEU CA C 44 56.434 56.434 54.734 1.700 18400 1839 1 8 . 1 1 44 44 LEU CB C 44 42.835 42.835 40.887 1.948 18400 1840 1 8 . 1 1 44 44 LEU H H 44 7.387 7.387 7.020 0.367 18400 1841 1 9 . 1 1 2 2 GLN N N 2 122.420 122.420 120.574 1.846 18400 1842 1 9 . 1 1 2 2 GLN HA H 2 4.665 4.665 4.493 0.172 18400 1843 1 9 . 1 1 2 2 GLN CA C 2 53.740 53.740 54.822 -1.082 18400 1844 1 9 . 1 1 2 2 GLN CB C 2 28.509 28.509 30.027 -1.518 18400 1845 1 9 . 1 1 2 2 GLN H H 2 8.573 8.573 7.899 0.674 18400 1846 1 9 . 1 1 3 3 PRO HA H 3 4.464 4.464 4.593 -0.129 18400 1847 1 9 . 1 1 3 3 PRO C C 3 177.173 177.173 175.874 1.299 18400 1848 1 9 . 1 1 3 3 PRO CA C 3 62.946 62.946 62.212 0.734 18400 1849 1 9 . 1 1 3 3 PRO CB C 3 32.109 32.109 32.588 -0.479 18400 1850 1 9 . 1 1 4 4 ARG N N 4 122.684 122.684 120.958 1.726 18400 1851 1 9 . 1 1 4 4 ARG HA H 4 4.578 4.578 4.218 0.360 18400 1852 1 9 . 1 1 4 4 ARG CA C 4 53.646 53.646 55.657 -2.011 18400 1853 1 9 . 1 1 4 4 ARG CB C 4 29.634 29.634 29.560 0.074 18400 1854 1 9 . 1 1 4 4 ARG H H 4 8.438 8.438 8.529 -0.091 18400 1855 1 9 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.510 -0.110 18400 1856 1 9 . 1 1 5 5 PRO C C 5 177.137 177.137 175.958 1.179 18400 1857 1 9 . 1 1 5 5 PRO CA C 5 62.490 62.490 62.263 0.227 18400 1858 1 9 . 1 1 5 5 PRO CB C 5 31.928 31.928 32.728 -0.800 18400 1859 1 9 . 1 1 6 6 ALA N N 6 123.540 123.540 127.397 -3.857 18400 1860 1 9 . 1 1 6 6 ALA HA H 6 3.919 3.919 4.235 -0.316 18400 1861 1 9 . 1 1 6 6 ALA C C 6 176.845 176.845 176.118 0.727 18400 1862 1 9 . 1 1 6 6 ALA CA C 6 53.270 53.270 51.403 1.867 18400 1863 1 9 . 1 1 6 6 ALA CB C 6 19.045 19.045 19.780 -0.735 18400 1864 1 9 . 1 1 6 6 ALA H H 6 8.360 8.360 8.187 0.173 18400 1865 1 9 . 1 1 7 7 LYS N N 7 121.074 121.074 119.486 1.588 18400 1866 1 9 . 1 1 7 7 LYS HA H 7 4.306 4.306 4.290 0.016 18400 1867 1 9 . 1 1 7 7 LYS C C 7 175.113 175.113 174.470 0.643 18400 1868 1 9 . 1 1 7 7 LYS CA C 7 56.621 56.621 55.495 1.127 18400 1869 1 9 . 1 1 7 7 LYS CB C 7 36.158 36.158 32.141 4.017 18400 1870 1 9 . 1 1 7 7 LYS H H 7 7.691 7.691 7.886 -0.195 18400 1871 1 9 . 1 1 8 8 TYR N N 8 117.325 117.325 121.451 -4.126 18400 1872 1 9 . 1 1 8 8 TYR HA H 8 5.660 5.660 4.676 0.984 18400 1873 1 9 . 1 1 8 8 TYR C C 8 175.278 175.278 174.225 1.053 18400 1874 1 9 . 1 1 8 8 TYR CA C 8 56.011 56.011 56.538 -0.527 18400 1875 1 9 . 1 1 8 8 TYR CB C 8 42.531 42.531 42.919 -0.388 18400 1876 1 9 . 1 1 8 8 TYR H H 8 8.349 8.349 8.275 0.074 18400 1877 1 9 . 1 1 9 9 LYS N N 9 120.812 120.812 122.470 -1.658 18400 1878 1 9 . 1 1 9 9 LYS HA H 9 5.647 5.647 4.962 0.685 18400 1879 1 9 . 1 1 9 9 LYS C C 9 174.978 174.978 175.101 -0.123 18400 1880 1 9 . 1 1 9 9 LYS CA C 9 54.767 54.767 55.858 -1.091 18400 1881 1 9 . 1 1 9 9 LYS CB C 9 36.033 36.033 34.645 1.388 18400 1882 1 9 . 1 1 9 9 LYS H H 9 9.648 9.648 8.954 0.694 18400 1883 1 9 . 1 1 10 10 PHE N N 10 118.595 118.595 124.486 -5.891 18400 1884 1 9 . 1 1 10 10 PHE HA H 10 5.220 5.220 4.893 0.327 18400 1885 1 9 . 1 1 10 10 PHE C C 10 172.698 172.698 172.425 0.273 18400 1886 1 9 . 1 1 10 10 PHE CA C 10 55.854 55.854 56.380 -0.526 18400 1887 1 9 . 1 1 10 10 PHE CB C 10 40.607 40.607 41.784 -1.177 18400 1888 1 9 . 1 1 10 10 PHE H H 10 8.890 8.890 8.459 0.431 18400 1889 1 9 . 1 1 11 11 THR N N 11 117.249 117.249 116.036 1.213 18400 1890 1 9 . 1 1 11 11 THR HA H 11 4.745 4.745 4.090 0.655 18400 1891 1 9 . 1 1 11 11 THR C C 11 175.071 175.071 172.510 2.561 18400 1892 1 9 . 1 1 11 11 THR CA C 11 61.667 61.667 60.708 0.959 18400 1893 1 9 . 1 1 11 11 THR CB C 11 69.324 69.324 69.263 0.061 18400 1894 1 9 . 1 1 11 11 THR H H 11 8.904 8.904 7.604 1.300 18400 1895 1 9 . 1 1 12 12 ASP N N 12 127.813 127.813 126.075 1.738 18400 1896 1 9 . 1 1 12 12 ASP HA H 12 4.903 4.903 3.980 0.923 18400 1897 1 9 . 1 1 12 12 ASP C C 12 179.041 179.041 177.628 1.413 18400 1898 1 9 . 1 1 12 12 ASP CA C 12 52.773 52.773 55.630 -2.857 18400 1899 1 9 . 1 1 12 12 ASP CB C 12 38.879 38.879 41.773 -2.894 18400 1900 1 9 . 1 1 12 12 ASP H H 12 8.993 8.993 8.288 0.705 18400 1901 1 9 . 1 1 13 13 VAL N N 13 117.388 117.388 118.767 -1.379 18400 1902 1 9 . 1 1 13 13 VAL HA H 13 3.990 3.990 3.789 0.201 18400 1903 1 9 . 1 1 13 13 VAL C C 13 176.796 176.796 176.200 0.596 18400 1904 1 9 . 1 1 13 13 VAL CA C 13 64.349 64.349 64.476 -0.127 18400 1905 1 9 . 1 1 13 13 VAL CB C 13 31.652 31.652 32.184 -0.532 18400 1906 1 9 . 1 1 13 13 VAL H H 13 8.950 8.950 8.584 0.366 18400 1907 1 9 . 1 1 14 14 ASN N N 14 117.303 117.303 116.257 1.046 18400 1908 1 9 . 1 1 14 14 ASN HA H 14 4.781 4.781 4.642 0.139 18400 1909 1 9 . 1 1 14 14 ASN C C 14 176.606 176.606 175.483 1.123 18400 1910 1 9 . 1 1 14 14 ASN CB C 14 38.851 38.851 38.885 -0.034 18400 1911 1 9 . 1 1 14 14 ASN H H 14 8.011 8.011 8.109 -0.098 18400 1912 1 9 . 1 1 15 15 GLY N N 15 108.443 108.443 107.742 0.701 18400 1913 1 9 . 1 1 15 15 GLY C C 15 174.799 174.799 173.200 1.599 18400 1914 1 9 . 1 1 15 15 GLY CA C 15 45.246 45.246 44.864 0.382 18400 1915 1 9 . 1 1 15 15 GLY H H 15 8.288 8.288 7.391 0.897 18400 1916 1 9 . 1 1 16 16 GLU N N 16 122.005 122.005 122.433 -0.428 18400 1917 1 9 . 1 1 16 16 GLU HA H 16 4.373 4.373 4.193 0.180 18400 1918 1 9 . 1 1 16 16 GLU C C 16 176.564 176.564 175.777 0.787 18400 1919 1 9 . 1 1 16 16 GLU CA C 16 55.798 55.798 56.394 -0.596 18400 1920 1 9 . 1 1 16 16 GLU CB C 16 30.932 30.932 29.482 1.450 18400 1921 1 9 . 1 1 16 16 GLU H H 16 8.045 8.045 8.317 -0.272 18400 1922 1 9 . 1 1 17 17 THR N N 17 120.458 120.458 122.942 -2.484 18400 1923 1 9 . 1 1 17 17 THR HA H 17 4.583 4.583 4.797 -0.214 18400 1924 1 9 . 1 1 17 17 THR C C 17 174.583 174.583 174.036 0.547 18400 1925 1 9 . 1 1 17 17 THR CA C 17 63.471 63.471 63.431 0.040 18400 1926 1 9 . 1 1 17 17 THR CB C 17 69.004 69.004 69.045 -0.041 18400 1927 1 9 . 1 1 17 17 THR H H 17 8.758 8.758 8.349 0.409 18400 1928 1 9 . 1 1 18 18 LYS N N 18 129.000 129.000 125.127 3.873 18400 1929 1 9 . 1 1 18 18 LYS HA H 18 4.581 4.581 4.730 -0.149 18400 1930 1 9 . 1 1 18 18 LYS C C 18 174.995 174.995 175.159 -0.164 18400 1931 1 9 . 1 1 18 18 LYS CB C 18 36.219 36.219 35.883 0.336 18400 1932 1 9 . 1 1 18 18 LYS H H 18 8.848 8.848 8.228 0.620 18400 1933 1 9 . 1 1 19 19 THR N N 19 107.308 107.308 113.475 -6.167 18400 1934 1 9 . 1 1 19 19 THR HA H 19 5.662 5.662 4.894 0.768 18400 1935 1 9 . 1 1 19 19 THR C C 19 175.135 175.135 174.131 1.004 18400 1936 1 9 . 1 1 19 19 THR CA C 19 59.541 59.541 62.463 -2.922 18400 1937 1 9 . 1 1 19 19 THR CB C 19 72.571 72.571 69.070 3.501 18400 1938 1 9 . 1 1 19 19 THR H H 19 8.023 8.023 8.341 -0.318 18400 1939 1 9 . 1 1 20 20 TRP N N 20 120.113 120.113 127.525 -7.412 18400 1940 1 9 . 1 1 20 20 TRP HA H 20 5.793 5.793 4.550 1.243 18400 1941 1 9 . 1 1 20 20 TRP CA C 20 55.233 55.233 57.110 -1.877 18400 1942 1 9 . 1 1 20 20 TRP CB C 20 33.193 33.193 31.162 2.031 18400 1943 1 9 . 1 1 20 20 TRP H H 20 9.317 9.317 8.304 1.013 18400 1944 1 9 . 1 1 21 21 THR HA H 21 4.280 4.280 4.399 -0.119 18400 1945 1 9 . 1 1 21 21 THR CA C 21 62.844 62.844 61.910 0.934 18400 1946 1 9 . 1 1 21 21 THR CB C 21 70.918 70.918 70.493 0.425 18400 1947 1 9 . 1 1 21 21 THR H H 21 8.449 8.449 7.733 0.716 18400 1948 1 9 . 1 1 22 22 GLY C C 22 172.841 172.841 171.726 1.115 18400 1949 1 9 . 1 1 22 22 GLY CA C 22 44.229 44.229 44.488 -0.259 18400 1950 1 9 . 1 1 22 22 GLY H H 22 7.928 7.928 7.381 0.547 18400 1951 1 9 . 1 1 23 23 GLN N N 23 117.973 117.973 122.072 -4.099 18400 1952 1 9 . 1 1 23 23 GLN HA H 23 4.533 4.533 4.470 0.063 18400 1953 1 9 . 1 1 23 23 GLN C C 23 176.979 176.979 175.717 1.262 18400 1954 1 9 . 1 1 23 23 GLN CA C 23 54.099 54.099 54.918 -0.819 18400 1955 1 9 . 1 1 23 23 GLN CB C 23 30.565 30.565 30.677 -0.112 18400 1956 1 9 . 1 1 23 23 GLN H H 23 7.141 7.141 7.065 0.076 18400 1957 1 9 . 1 1 24 24 GLY N N 24 111.998 111.998 108.806 3.192 18400 1958 1 9 . 1 1 24 24 GLY C C 24 174.510 174.510 174.131 0.379 18400 1959 1 9 . 1 1 24 24 GLY CA C 24 44.906 44.906 45.331 -0.425 18400 1960 1 9 . 1 1 24 24 GLY H H 24 8.841 8.841 8.779 0.062 18400 1961 1 9 . 1 1 25 25 ARG N N 25 121.958 121.958 123.160 -1.202 18400 1962 1 9 . 1 1 25 25 ARG HA H 25 4.179 4.179 4.316 -0.137 18400 1963 1 9 . 1 1 25 25 ARG C C 25 177.025 177.025 175.387 1.638 18400 1964 1 9 . 1 1 25 25 ARG CA C 25 56.285 56.285 56.606 -0.321 18400 1965 1 9 . 1 1 25 25 ARG CB C 25 29.885 29.885 30.347 -0.462 18400 1966 1 9 . 1 1 25 25 ARG H H 25 8.444 8.444 8.180 0.264 18400 1967 1 9 . 1 1 26 26 THR N N 26 122.468 122.468 119.980 2.488 18400 1968 1 9 . 1 1 26 26 THR HA H 26 3.226 3.226 4.822 -1.596 18400 1969 1 9 . 1 1 26 26 THR CA C 26 60.422 60.422 59.319 1.103 18400 1970 1 9 . 1 1 26 26 THR CB C 26 69.088 69.088 69.045 0.043 18400 1971 1 9 . 1 1 26 26 THR H H 26 8.369 8.369 8.388 -0.019 18400 1972 1 9 . 1 1 27 27 PRO HA H 27 3.867 3.867 4.187 -0.320 18400 1973 1 9 . 1 1 27 27 PRO C C 27 177.571 177.571 178.172 -0.601 18400 1974 1 9 . 1 1 27 27 PRO CA C 27 62.174 62.174 62.953 -0.779 18400 1975 1 9 . 1 1 27 27 PRO CB C 27 32.818 32.818 32.001 0.817 18400 1976 1 9 . 1 1 28 28 LYS N N 28 126.298 126.298 122.735 3.563 18400 1977 1 9 . 1 1 28 28 LYS HA H 28 3.925 3.925 4.006 -0.081 18400 1978 1 9 . 1 1 28 28 LYS CA C 28 60.815 60.815 61.666 -0.851 18400 1979 1 9 . 1 1 28 28 LYS H H 28 8.903 8.903 8.887 0.016 18400 1980 1 9 . 1 1 29 29 PRO HA H 29 4.289 4.289 4.230 0.059 18400 1981 1 9 . 1 1 29 29 PRO C C 29 180.695 180.695 178.880 1.815 18400 1982 1 9 . 1 1 29 29 PRO CA C 29 65.875 65.875 65.526 0.349 18400 1983 1 9 . 1 1 29 29 PRO CB C 29 31.770 31.770 31.088 0.682 18400 1984 1 9 . 1 1 30 30 ILE N N 30 114.387 114.387 117.098 -2.711 18400 1985 1 9 . 1 1 30 30 ILE HA H 30 3.021 3.021 3.980 -0.959 18400 1986 1 9 . 1 1 30 30 ILE C C 30 176.633 176.633 177.997 -1.364 18400 1987 1 9 . 1 1 30 30 ILE CA C 30 63.949 63.949 63.521 0.428 18400 1988 1 9 . 1 1 30 30 ILE CB C 30 36.650 36.650 36.730 -0.080 18400 1989 1 9 . 1 1 30 30 ILE H H 30 6.051 6.051 7.897 -1.846 18400 1990 1 9 . 1 1 31 31 ALA N N 31 123.060 123.060 123.006 0.054 18400 1991 1 9 . 1 1 31 31 ALA HA H 31 3.720 3.720 3.982 -0.262 18400 1992 1 9 . 1 1 31 31 ALA C C 31 181.571 181.571 179.719 1.852 18400 1993 1 9 . 1 1 31 31 ALA CA C 31 55.456 55.456 55.740 -0.284 18400 1994 1 9 . 1 1 31 31 ALA CB C 31 17.825 17.825 17.873 -0.048 18400 1995 1 9 . 1 1 31 31 ALA H H 31 7.922 7.922 8.837 -0.915 18400 1996 1 9 . 1 1 32 32 GLN N N 32 117.568 117.568 119.109 -1.541 18400 1997 1 9 . 1 1 32 32 GLN HA H 32 3.934 3.934 4.077 -0.143 18400 1998 1 9 . 1 1 32 32 GLN C C 32 178.025 178.025 178.218 -0.193 18400 1999 1 9 . 1 1 32 32 GLN CA C 32 58.424 58.424 58.913 -0.489 18400 2000 1 9 . 1 1 32 32 GLN CB C 32 28.285 28.285 28.656 -0.371 18400 2001 1 9 . 1 1 32 32 GLN H H 32 8.438 8.438 7.825 0.613 18400 2002 1 9 . 1 1 33 33 ALA N N 33 121.972 121.972 122.826 -0.854 18400 2003 1 9 . 1 1 33 33 ALA HA H 33 4.282 4.282 4.167 0.115 18400 2004 1 9 . 1 1 33 33 ALA C C 33 181.426 181.426 179.807 1.619 18400 2005 1 9 . 1 1 33 33 ALA CA C 33 55.082 55.082 55.003 0.079 18400 2006 1 9 . 1 1 33 33 ALA CB C 33 18.720 18.720 18.549 0.171 18400 2007 1 9 . 1 1 33 33 ALA H H 33 7.099 7.099 7.523 -0.424 18400 2008 1 9 . 1 1 34 34 LEU N N 34 119.898 119.898 119.284 0.614 18400 2009 1 9 . 1 1 34 34 LEU HA H 34 4.297 4.297 4.656 -0.359 18400 2010 1 9 . 1 1 34 34 LEU C C 34 182.198 182.198 180.182 2.016 18400 2011 1 9 . 1 1 34 34 LEU CA C 34 57.310 57.310 56.971 0.340 18400 2012 1 9 . 1 1 34 34 LEU CB C 34 40.490 40.490 42.279 -1.789 18400 2013 1 9 . 1 1 34 34 LEU H H 34 8.538 8.538 8.832 -0.294 18400 2014 1 9 . 1 1 35 35 ALA N N 35 122.660 122.660 121.649 1.011 18400 2015 1 9 . 1 1 35 35 ALA HA H 35 4.222 4.222 4.107 0.115 18400 2016 1 9 . 1 1 35 35 ALA C C 35 179.762 179.762 179.030 0.732 18400 2017 1 9 . 1 1 35 35 ALA CA C 35 54.226 54.226 54.586 -0.360 18400 2018 1 9 . 1 1 35 35 ALA CB C 35 17.744 17.744 18.190 -0.446 18400 2019 1 9 . 1 1 35 35 ALA H H 35 7.741 7.741 8.449 -0.708 18400 2020 1 9 . 1 1 36 36 GLU N N 36 116.640 116.640 115.849 0.791 18400 2021 1 9 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.265 0.138 18400 2022 1 9 . 1 1 36 36 GLU C C 36 177.531 177.531 177.439 0.092 18400 2023 1 9 . 1 1 36 36 GLU CA C 36 55.856 55.856 56.918 -1.062 18400 2024 1 9 . 1 1 36 36 GLU CB C 36 29.741 29.741 30.100 -0.359 18400 2025 1 9 . 1 1 36 36 GLU H H 36 7.496 7.496 7.669 -0.173 18400 2026 1 9 . 1 1 37 37 GLY N N 37 106.885 106.885 107.451 -0.566 18400 2027 1 9 . 1 1 37 37 GLY C C 37 176.072 176.072 174.344 1.728 18400 2028 1 9 . 1 1 37 37 GLY CA C 37 45.369 45.369 44.903 0.466 18400 2029 1 9 . 1 1 37 37 GLY H H 37 7.802 7.802 8.059 -0.257 18400 2030 1 9 . 1 1 38 38 LYS N N 38 120.419 120.419 121.015 -0.596 18400 2031 1 9 . 1 1 38 38 LYS HA H 38 4.479 4.479 4.531 -0.052 18400 2032 1 9 . 1 1 38 38 LYS C C 38 174.921 174.921 175.835 -0.914 18400 2033 1 9 . 1 1 38 38 LYS CA C 38 55.927 55.927 55.209 0.717 18400 2034 1 9 . 1 1 38 38 LYS CB C 38 31.850 31.850 33.447 -1.597 18400 2035 1 9 . 1 1 38 38 LYS H H 38 7.935 7.935 7.537 0.398 18400 2036 1 9 . 1 1 39 39 SER N N 39 114.172 114.172 115.468 -1.296 18400 2037 1 9 . 1 1 39 39 SER HA H 39 4.812 4.812 4.475 0.337 18400 2038 1 9 . 1 1 39 39 SER C C 39 176.690 176.690 175.901 0.789 18400 2039 1 9 . 1 1 39 39 SER CA C 39 56.473 56.473 57.358 -0.885 18400 2040 1 9 . 1 1 39 39 SER CB C 39 65.933 65.933 64.248 1.685 18400 2041 1 9 . 1 1 39 39 SER H H 39 8.579 8.579 8.519 0.060 18400 2042 1 9 . 1 1 40 40 LEU N N 40 126.212 126.212 122.427 3.785 18400 2043 1 9 . 1 1 40 40 LEU HA H 40 4.201 4.201 4.098 0.103 18400 2044 1 9 . 1 1 40 40 LEU C C 40 179.329 179.329 178.204 1.125 18400 2045 1 9 . 1 1 40 40 LEU CA C 40 58.049 58.049 56.042 2.007 18400 2046 1 9 . 1 1 40 40 LEU CB C 40 41.038 41.038 41.109 -0.071 18400 2047 1 9 . 1 1 40 40 LEU H H 40 9.038 9.038 9.005 0.033 18400 2048 1 9 . 1 1 41 41 ASP N N 41 115.700 115.700 119.280 -3.580 18400 2049 1 9 . 1 1 41 41 ASP HA H 41 4.580 4.580 4.027 0.553 18400 2050 1 9 . 1 1 41 41 ASP C C 41 179.063 179.063 178.267 0.796 18400 2051 1 9 . 1 1 41 41 ASP CA C 41 56.353 56.353 57.001 -0.648 18400 2052 1 9 . 1 1 41 41 ASP CB C 41 40.217 40.217 39.959 0.258 18400 2053 1 9 . 1 1 41 41 ASP H H 41 8.217 8.217 8.263 -0.046 18400 2054 1 9 . 1 1 42 42 ASP N N 42 119.466 119.466 119.990 -0.524 18400 2055 1 9 . 1 1 42 42 ASP HA H 42 4.422 4.422 4.393 0.029 18400 2056 1 9 . 1 1 42 42 ASP C C 42 177.484 177.484 177.145 0.339 18400 2057 1 9 . 1 1 42 42 ASP CB C 42 40.234 40.234 40.732 -0.498 18400 2058 1 9 . 1 1 42 42 ASP H H 42 7.959 7.959 7.514 0.445 18400 2059 1 9 . 1 1 43 43 PHE N N 43 117.109 117.109 116.160 0.949 18400 2060 1 9 . 1 1 43 43 PHE HA H 43 4.873 4.873 4.719 0.154 18400 2061 1 9 . 1 1 43 43 PHE C C 43 175.641 175.641 174.740 0.901 18400 2062 1 9 . 1 1 43 43 PHE CA C 43 58.196 58.196 55.260 2.936 18400 2063 1 9 . 1 1 43 43 PHE CB C 43 39.344 39.344 38.331 1.012 18400 2064 1 9 . 1 1 43 43 PHE H H 43 8.320 8.320 7.531 0.789 18400 2065 1 9 . 1 1 44 44 LEU N N 44 122.188 122.188 118.894 3.294 18400 2066 1 9 . 1 1 44 44 LEU HA H 44 4.428 4.428 4.263 0.165 18400 2067 1 9 . 1 1 44 44 LEU C C 44 178.294 178.294 177.277 1.017 18400 2068 1 9 . 1 1 44 44 LEU CA C 44 56.434 56.434 55.223 1.211 18400 2069 1 9 . 1 1 44 44 LEU CB C 44 42.835 42.835 41.697 1.138 18400 2070 1 9 . 1 1 44 44 LEU H H 44 7.387 7.387 7.082 0.305 18400 2071 1 10 . 1 1 2 2 GLN N N 2 122.420 122.420 123.026 -0.606 18400 2072 1 10 . 1 1 2 2 GLN HA H 2 4.665 4.665 4.796 -0.131 18400 2073 1 10 . 1 1 2 2 GLN CA C 2 53.740 53.740 54.085 -0.345 18400 2074 1 10 . 1 1 2 2 GLN CB C 2 28.509 28.509 29.273 -0.764 18400 2075 1 10 . 1 1 2 2 GLN H H 2 8.573 8.573 8.077 0.496 18400 2076 1 10 . 1 1 3 3 PRO HA H 3 4.464 4.464 4.441 0.023 18400 2077 1 10 . 1 1 3 3 PRO C C 3 177.173 177.173 176.220 0.953 18400 2078 1 10 . 1 1 3 3 PRO CA C 3 62.946 62.946 62.215 0.731 18400 2079 1 10 . 1 1 3 3 PRO CB C 3 32.109 32.109 32.526 -0.417 18400 2080 1 10 . 1 1 4 4 ARG N N 4 122.684 122.684 120.773 1.911 18400 2081 1 10 . 1 1 4 4 ARG HA H 4 4.578 4.578 4.249 0.329 18400 2082 1 10 . 1 1 4 4 ARG CA C 4 53.646 53.646 55.462 -1.816 18400 2083 1 10 . 1 1 4 4 ARG CB C 4 29.634 29.634 29.191 0.443 18400 2084 1 10 . 1 1 4 4 ARG H H 4 8.438 8.438 8.502 -0.064 18400 2085 1 10 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.546 -0.146 18400 2086 1 10 . 1 1 5 5 PRO C C 5 177.137 177.137 175.525 1.612 18400 2087 1 10 . 1 1 5 5 PRO CA C 5 62.490 62.490 62.583 -0.093 18400 2088 1 10 . 1 1 5 5 PRO CB C 5 31.928 31.928 32.783 -0.855 18400 2089 1 10 . 1 1 6 6 ALA N N 6 123.540 123.540 126.552 -3.012 18400 2090 1 10 . 1 1 6 6 ALA HA H 6 3.919 3.919 4.412 -0.493 18400 2091 1 10 . 1 1 6 6 ALA C C 6 176.845 176.845 175.798 1.047 18400 2092 1 10 . 1 1 6 6 ALA CA C 6 53.270 53.270 51.100 2.170 18400 2093 1 10 . 1 1 6 6 ALA CB C 6 19.045 19.045 19.910 -0.865 18400 2094 1 10 . 1 1 6 6 ALA H H 6 8.360 8.360 8.182 0.178 18400 2095 1 10 . 1 1 7 7 LYS N N 7 121.074 121.074 120.036 1.038 18400 2096 1 10 . 1 1 7 7 LYS HA H 7 4.306 4.306 4.499 -0.193 18400 2097 1 10 . 1 1 7 7 LYS C C 7 175.113 175.113 174.348 0.765 18400 2098 1 10 . 1 1 7 7 LYS CA C 7 56.621 56.621 55.771 0.850 18400 2099 1 10 . 1 1 7 7 LYS CB C 7 36.158 36.158 32.868 3.290 18400 2100 1 10 . 1 1 7 7 LYS H H 7 7.691 7.691 7.855 -0.164 18400 2101 1 10 . 1 1 8 8 TYR N N 8 117.325 117.325 121.228 -3.903 18400 2102 1 10 . 1 1 8 8 TYR HA H 8 5.660 5.660 4.632 1.028 18400 2103 1 10 . 1 1 8 8 TYR C C 8 175.278 175.278 174.268 1.010 18400 2104 1 10 . 1 1 8 8 TYR CA C 8 56.011 56.011 56.578 -0.567 18400 2105 1 10 . 1 1 8 8 TYR CB C 8 42.531 42.531 42.501 0.030 18400 2106 1 10 . 1 1 8 8 TYR H H 8 8.349 8.349 8.314 0.035 18400 2107 1 10 . 1 1 9 9 LYS N N 9 120.812 120.812 121.760 -0.948 18400 2108 1 10 . 1 1 9 9 LYS HA H 9 5.647 5.647 5.041 0.606 18400 2109 1 10 . 1 1 9 9 LYS C C 9 174.978 174.978 175.413 -0.435 18400 2110 1 10 . 1 1 9 9 LYS CA C 9 54.767 54.767 55.151 -0.384 18400 2111 1 10 . 1 1 9 9 LYS CB C 9 36.033 36.033 34.215 1.818 18400 2112 1 10 . 1 1 9 9 LYS H H 9 9.648 9.648 8.876 0.772 18400 2113 1 10 . 1 1 10 10 PHE N N 10 118.595 118.595 123.986 -5.391 18400 2114 1 10 . 1 1 10 10 PHE HA H 10 5.220 5.220 4.819 0.401 18400 2115 1 10 . 1 1 10 10 PHE C C 10 172.698 172.698 172.610 0.088 18400 2116 1 10 . 1 1 10 10 PHE CA C 10 55.854 55.854 56.381 -0.527 18400 2117 1 10 . 1 1 10 10 PHE CB C 10 40.607 40.607 41.704 -1.097 18400 2118 1 10 . 1 1 10 10 PHE H H 10 8.890 8.890 8.911 -0.021 18400 2119 1 10 . 1 1 11 11 THR N N 11 117.249 117.249 111.836 5.413 18400 2120 1 10 . 1 1 11 11 THR HA H 11 4.745 4.745 4.228 0.517 18400 2121 1 10 . 1 1 11 11 THR C C 11 175.071 175.071 172.902 2.169 18400 2122 1 10 . 1 1 11 11 THR CA C 11 61.667 61.667 59.998 1.669 18400 2123 1 10 . 1 1 11 11 THR CB C 11 69.324 69.324 70.193 -0.869 18400 2124 1 10 . 1 1 11 11 THR H H 11 8.904 8.904 7.435 1.469 18400 2125 1 10 . 1 1 12 12 ASP N N 12 127.813 127.813 125.796 2.017 18400 2126 1 10 . 1 1 12 12 ASP HA H 12 4.903 4.903 3.997 0.906 18400 2127 1 10 . 1 1 12 12 ASP C C 12 179.041 179.041 177.243 1.798 18400 2128 1 10 . 1 1 12 12 ASP CA C 12 52.773 52.773 55.360 -2.587 18400 2129 1 10 . 1 1 12 12 ASP CB C 12 38.879 38.879 41.000 -2.121 18400 2130 1 10 . 1 1 12 12 ASP H H 12 8.993 8.993 7.962 1.031 18400 2131 1 10 . 1 1 13 13 VAL N N 13 117.388 117.388 118.964 -1.576 18400 2132 1 10 . 1 1 13 13 VAL HA H 13 3.990 3.990 3.745 0.245 18400 2133 1 10 . 1 1 13 13 VAL C C 13 176.796 176.796 175.923 0.873 18400 2134 1 10 . 1 1 13 13 VAL CA C 13 64.349 64.349 64.342 0.007 18400 2135 1 10 . 1 1 13 13 VAL CB C 13 31.652 31.652 31.242 0.410 18400 2136 1 10 . 1 1 13 13 VAL H H 13 8.950 8.950 8.603 0.347 18400 2137 1 10 . 1 1 14 14 ASN N N 14 117.303 117.303 116.776 0.527 18400 2138 1 10 . 1 1 14 14 ASN HA H 14 4.781 4.781 4.640 0.141 18400 2139 1 10 . 1 1 14 14 ASN C C 14 176.606 176.606 175.545 1.061 18400 2140 1 10 . 1 1 14 14 ASN CB C 14 38.851 38.851 39.550 -0.699 18400 2141 1 10 . 1 1 14 14 ASN H H 14 8.011 8.011 8.110 -0.099 18400 2142 1 10 . 1 1 15 15 GLY N N 15 108.443 108.443 107.854 0.589 18400 2143 1 10 . 1 1 15 15 GLY C C 15 174.799 174.799 173.872 0.927 18400 2144 1 10 . 1 1 15 15 GLY CA C 15 45.246 45.246 44.930 0.316 18400 2145 1 10 . 1 1 15 15 GLY H H 15 8.288 8.288 7.410 0.878 18400 2146 1 10 . 1 1 16 16 GLU N N 16 122.005 122.005 119.898 2.107 18400 2147 1 10 . 1 1 16 16 GLU HA H 16 4.373 4.373 4.346 0.027 18400 2148 1 10 . 1 1 16 16 GLU C C 16 176.564 176.564 175.649 0.915 18400 2149 1 10 . 1 1 16 16 GLU CA C 16 55.798 55.798 56.509 -0.711 18400 2150 1 10 . 1 1 16 16 GLU CB C 16 30.932 30.932 30.072 0.860 18400 2151 1 10 . 1 1 16 16 GLU H H 16 8.045 8.045 8.267 -0.222 18400 2152 1 10 . 1 1 17 17 THR N N 17 120.458 120.458 111.837 8.621 18400 2153 1 10 . 1 1 17 17 THR HA H 17 4.583 4.583 5.245 -0.662 18400 2154 1 10 . 1 1 17 17 THR C C 17 174.583 174.583 173.713 0.870 18400 2155 1 10 . 1 1 17 17 THR CA C 17 63.471 63.471 61.410 2.061 18400 2156 1 10 . 1 1 17 17 THR CB C 17 69.004 69.004 69.228 -0.224 18400 2157 1 10 . 1 1 17 17 THR H H 17 8.758 8.758 8.223 0.535 18400 2158 1 10 . 1 1 18 18 LYS N N 18 129.000 129.000 123.424 5.576 18400 2159 1 10 . 1 1 18 18 LYS HA H 18 4.581 4.581 4.794 -0.213 18400 2160 1 10 . 1 1 18 18 LYS C C 18 174.995 174.995 174.540 0.455 18400 2161 1 10 . 1 1 18 18 LYS CB C 18 36.219 36.219 36.286 -0.067 18400 2162 1 10 . 1 1 18 18 LYS H H 18 8.848 8.848 8.124 0.724 18400 2163 1 10 . 1 1 19 19 THR N N 19 107.308 107.308 112.945 -5.637 18400 2164 1 10 . 1 1 19 19 THR HA H 19 5.662 5.662 4.720 0.942 18400 2165 1 10 . 1 1 19 19 THR C C 19 175.135 175.135 174.004 1.131 18400 2166 1 10 . 1 1 19 19 THR CA C 19 59.541 59.541 61.444 -1.903 18400 2167 1 10 . 1 1 19 19 THR CB C 19 72.571 72.571 69.610 2.961 18400 2168 1 10 . 1 1 19 19 THR H H 19 8.023 8.023 8.406 -0.383 18400 2169 1 10 . 1 1 20 20 TRP N N 20 120.113 120.113 126.989 -6.876 18400 2170 1 10 . 1 1 20 20 TRP HA H 20 5.793 5.793 4.599 1.194 18400 2171 1 10 . 1 1 20 20 TRP CA C 20 55.233 55.233 56.555 -1.322 18400 2172 1 10 . 1 1 20 20 TRP CB C 20 33.193 33.193 30.196 2.997 18400 2173 1 10 . 1 1 20 20 TRP H H 20 9.317 9.317 8.286 1.031 18400 2174 1 10 . 1 1 21 21 THR HA H 21 4.280 4.280 4.274 0.006 18400 2175 1 10 . 1 1 21 21 THR CA C 21 62.844 62.844 61.184 1.660 18400 2176 1 10 . 1 1 21 21 THR CB C 21 70.918 70.918 70.112 0.806 18400 2177 1 10 . 1 1 21 21 THR H H 21 8.449 8.449 7.720 0.729 18400 2178 1 10 . 1 1 22 22 GLY C C 22 172.841 172.841 173.425 -0.584 18400 2179 1 10 . 1 1 22 22 GLY CA C 22 44.229 44.229 44.510 -0.281 18400 2180 1 10 . 1 1 22 22 GLY H H 22 7.928 7.928 7.540 0.388 18400 2181 1 10 . 1 1 23 23 GLN N N 23 117.973 117.973 120.076 -2.103 18400 2182 1 10 . 1 1 23 23 GLN HA H 23 4.533 4.533 4.106 0.427 18400 2183 1 10 . 1 1 23 23 GLN C C 23 176.979 176.979 176.090 0.889 18400 2184 1 10 . 1 1 23 23 GLN CA C 23 54.099 54.099 57.869 -3.770 18400 2185 1 10 . 1 1 23 23 GLN CB C 23 30.565 30.565 29.639 0.926 18400 2186 1 10 . 1 1 23 23 GLN H H 23 7.141 7.141 7.357 -0.216 18400 2187 1 10 . 1 1 24 24 GLY N N 24 111.998 111.998 105.195 6.803 18400 2188 1 10 . 1 1 24 24 GLY C C 24 174.510 174.510 173.594 0.916 18400 2189 1 10 . 1 1 24 24 GLY CA C 24 44.906 44.906 45.237 -0.332 18400 2190 1 10 . 1 1 24 24 GLY H H 24 8.841 8.841 8.711 0.130 18400 2191 1 10 . 1 1 25 25 ARG N N 25 121.958 121.958 122.690 -0.732 18400 2192 1 10 . 1 1 25 25 ARG HA H 25 4.179 4.179 4.547 -0.368 18400 2193 1 10 . 1 1 25 25 ARG C C 25 177.025 177.025 175.294 1.731 18400 2194 1 10 . 1 1 25 25 ARG CA C 25 56.285 56.285 55.836 0.449 18400 2195 1 10 . 1 1 25 25 ARG CB C 25 29.885 29.885 30.957 -1.072 18400 2196 1 10 . 1 1 25 25 ARG H H 25 8.444 8.444 8.234 0.210 18400 2197 1 10 . 1 1 26 26 THR N N 26 122.468 122.468 118.094 4.374 18400 2198 1 10 . 1 1 26 26 THR HA H 26 3.226 3.226 4.720 -1.494 18400 2199 1 10 . 1 1 26 26 THR CA C 26 60.422 60.422 58.440 1.982 18400 2200 1 10 . 1 1 26 26 THR CB C 26 69.088 69.088 68.410 0.678 18400 2201 1 10 . 1 1 26 26 THR H H 26 8.369 8.369 8.453 -0.084 18400 2202 1 10 . 1 1 27 27 PRO HA H 27 3.867 3.867 4.172 -0.305 18400 2203 1 10 . 1 1 27 27 PRO C C 27 177.571 177.571 178.123 -0.552 18400 2204 1 10 . 1 1 27 27 PRO CA C 27 62.174 62.174 62.863 -0.689 18400 2205 1 10 . 1 1 27 27 PRO CB C 27 32.818 32.818 31.865 0.953 18400 2206 1 10 . 1 1 28 28 LYS N N 28 126.298 126.298 122.029 4.269 18400 2207 1 10 . 1 1 28 28 LYS HA H 28 3.925 3.925 3.973 -0.048 18400 2208 1 10 . 1 1 28 28 LYS CA C 28 60.815 60.815 60.743 0.072 18400 2209 1 10 . 1 1 28 28 LYS H H 28 8.903 8.903 8.820 0.083 18400 2210 1 10 . 1 1 29 29 PRO HA H 29 4.289 4.289 4.242 0.047 18400 2211 1 10 . 1 1 29 29 PRO C C 29 180.695 180.695 178.780 1.915 18400 2212 1 10 . 1 1 29 29 PRO CA C 29 65.875 65.875 65.341 0.534 18400 2213 1 10 . 1 1 29 29 PRO CB C 29 31.770 31.770 30.989 0.781 18400 2214 1 10 . 1 1 30 30 ILE N N 30 114.387 114.387 117.437 -3.050 18400 2215 1 10 . 1 1 30 30 ILE HA H 30 3.021 3.021 3.660 -0.639 18400 2216 1 10 . 1 1 30 30 ILE C C 30 176.633 176.633 178.143 -1.510 18400 2217 1 10 . 1 1 30 30 ILE CA C 30 63.949 63.949 63.577 0.372 18400 2218 1 10 . 1 1 30 30 ILE CB C 30 36.650 36.650 36.138 0.512 18400 2219 1 10 . 1 1 30 30 ILE H H 30 6.051 6.051 7.916 -1.865 18400 2220 1 10 . 1 1 31 31 ALA N N 31 123.060 123.060 122.382 0.678 18400 2221 1 10 . 1 1 31 31 ALA HA H 31 3.720 3.720 3.988 -0.268 18400 2222 1 10 . 1 1 31 31 ALA C C 31 181.571 181.571 179.562 2.009 18400 2223 1 10 . 1 1 31 31 ALA CA C 31 55.456 55.456 55.738 -0.282 18400 2224 1 10 . 1 1 31 31 ALA CB C 31 17.825 17.825 17.795 0.030 18400 2225 1 10 . 1 1 31 31 ALA H H 31 7.922 7.922 8.686 -0.764 18400 2226 1 10 . 1 1 32 32 GLN N N 32 117.568 117.568 119.310 -1.742 18400 2227 1 10 . 1 1 32 32 GLN HA H 32 3.934 3.934 4.045 -0.111 18400 2228 1 10 . 1 1 32 32 GLN C C 32 178.025 178.025 177.983 0.042 18400 2229 1 10 . 1 1 32 32 GLN CA C 32 58.424 58.424 58.875 -0.451 18400 2230 1 10 . 1 1 32 32 GLN CB C 32 28.285 28.285 28.531 -0.246 18400 2231 1 10 . 1 1 32 32 GLN H H 32 8.438 8.438 7.829 0.609 18400 2232 1 10 . 1 1 33 33 ALA N N 33 121.972 121.972 122.722 -0.750 18400 2233 1 10 . 1 1 33 33 ALA HA H 33 4.282 4.282 4.191 0.091 18400 2234 1 10 . 1 1 33 33 ALA C C 33 181.426 181.426 180.062 1.364 18400 2235 1 10 . 1 1 33 33 ALA CA C 33 55.082 55.082 55.165 -0.083 18400 2236 1 10 . 1 1 33 33 ALA CB C 33 18.720 18.720 18.613 0.107 18400 2237 1 10 . 1 1 33 33 ALA H H 33 7.099 7.099 7.561 -0.462 18400 2238 1 10 . 1 1 34 34 LEU N N 34 119.898 119.898 118.889 1.009 18400 2239 1 10 . 1 1 34 34 LEU HA H 34 4.297 4.297 4.791 -0.494 18400 2240 1 10 . 1 1 34 34 LEU C C 34 182.198 182.198 180.375 1.823 18400 2241 1 10 . 1 1 34 34 LEU CA C 34 57.310 57.310 57.656 -0.346 18400 2242 1 10 . 1 1 34 34 LEU CB C 34 40.490 40.490 41.523 -1.033 18400 2243 1 10 . 1 1 34 34 LEU H H 34 8.538 8.538 8.790 -0.252 18400 2244 1 10 . 1 1 35 35 ALA N N 35 122.660 122.660 122.517 0.143 18400 2245 1 10 . 1 1 35 35 ALA HA H 35 4.222 4.222 4.130 0.092 18400 2246 1 10 . 1 1 35 35 ALA C C 35 179.762 179.762 179.131 0.631 18400 2247 1 10 . 1 1 35 35 ALA CA C 35 54.226 54.226 54.690 -0.464 18400 2248 1 10 . 1 1 35 35 ALA CB C 35 17.744 17.744 18.298 -0.554 18400 2249 1 10 . 1 1 35 35 ALA H H 35 7.741 7.741 8.350 -0.609 18400 2250 1 10 . 1 1 36 36 GLU N N 36 116.640 116.640 116.537 0.103 18400 2251 1 10 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.254 0.149 18400 2252 1 10 . 1 1 36 36 GLU C C 36 177.531 177.531 177.462 0.069 18400 2253 1 10 . 1 1 36 36 GLU CA C 36 55.856 55.856 56.841 -0.985 18400 2254 1 10 . 1 1 36 36 GLU CB C 36 29.741 29.741 30.037 -0.296 18400 2255 1 10 . 1 1 36 36 GLU H H 36 7.496 7.496 7.744 -0.248 18400 2256 1 10 . 1 1 37 37 GLY N N 37 106.885 106.885 106.426 0.459 18400 2257 1 10 . 1 1 37 37 GLY C C 37 176.072 176.072 174.507 1.565 18400 2258 1 10 . 1 1 37 37 GLY CA C 37 45.369 45.369 44.860 0.509 18400 2259 1 10 . 1 1 37 37 GLY H H 37 7.802 7.802 8.077 -0.275 18400 2260 1 10 . 1 1 38 38 LYS N N 38 120.419 120.419 121.261 -0.842 18400 2261 1 10 . 1 1 38 38 LYS HA H 38 4.479 4.479 4.547 -0.068 18400 2262 1 10 . 1 1 38 38 LYS C C 38 174.921 174.921 175.789 -0.868 18400 2263 1 10 . 1 1 38 38 LYS CA C 38 55.927 55.927 55.392 0.535 18400 2264 1 10 . 1 1 38 38 LYS CB C 38 31.850 31.850 33.870 -2.019 18400 2265 1 10 . 1 1 38 38 LYS H H 38 7.935 7.935 7.540 0.395 18400 2266 1 10 . 1 1 39 39 SER N N 39 114.172 114.172 114.255 -0.083 18400 2267 1 10 . 1 1 39 39 SER HA H 39 4.812 4.812 4.790 0.022 18400 2268 1 10 . 1 1 39 39 SER C C 39 176.690 176.690 175.597 1.093 18400 2269 1 10 . 1 1 39 39 SER CA C 39 56.473 56.473 57.065 -0.592 18400 2270 1 10 . 1 1 39 39 SER CB C 39 65.933 65.933 65.133 0.800 18400 2271 1 10 . 1 1 39 39 SER H H 39 8.579 8.579 8.284 0.295 18400 2272 1 10 . 1 1 40 40 LEU N N 40 126.212 126.212 122.168 4.044 18400 2273 1 10 . 1 1 40 40 LEU HA H 40 4.201 4.201 4.566 -0.365 18400 2274 1 10 . 1 1 40 40 LEU C C 40 179.329 179.329 177.675 1.654 18400 2275 1 10 . 1 1 40 40 LEU CA C 40 58.049 58.049 56.252 1.797 18400 2276 1 10 . 1 1 40 40 LEU CB C 40 41.038 41.038 42.064 -1.026 18400 2277 1 10 . 1 1 40 40 LEU H H 40 9.038 9.038 8.961 0.077 18400 2278 1 10 . 1 1 41 41 ASP N N 41 115.700 115.700 117.641 -1.941 18400 2279 1 10 . 1 1 41 41 ASP HA H 41 4.580 4.580 3.820 0.760 18400 2280 1 10 . 1 1 41 41 ASP C C 41 179.063 179.063 177.529 1.534 18400 2281 1 10 . 1 1 41 41 ASP CA C 41 56.353 56.353 56.358 -0.005 18400 2282 1 10 . 1 1 41 41 ASP CB C 41 40.217 40.217 40.116 0.101 18400 2283 1 10 . 1 1 41 41 ASP H H 41 8.217 8.217 8.119 0.098 18400 2284 1 10 . 1 1 42 42 ASP N N 42 119.466 119.466 119.505 -0.039 18400 2285 1 10 . 1 1 42 42 ASP HA H 42 4.422 4.422 4.283 0.139 18400 2286 1 10 . 1 1 42 42 ASP C C 42 177.484 177.484 176.561 0.923 18400 2287 1 10 . 1 1 42 42 ASP CB C 42 40.234 40.234 41.021 -0.787 18400 2288 1 10 . 1 1 42 42 ASP H H 42 7.959 7.959 7.448 0.511 18400 2289 1 10 . 1 1 43 43 PHE N N 43 117.109 117.109 115.374 1.735 18400 2290 1 10 . 1 1 43 43 PHE HA H 43 4.873 4.873 4.789 0.084 18400 2291 1 10 . 1 1 43 43 PHE C C 43 175.641 175.641 174.428 1.213 18400 2292 1 10 . 1 1 43 43 PHE CA C 43 58.196 58.196 54.911 3.285 18400 2293 1 10 . 1 1 43 43 PHE CB C 43 39.344 39.344 38.397 0.948 18400 2294 1 10 . 1 1 43 43 PHE H H 43 8.320 8.320 6.840 1.480 18400 2295 1 10 . 1 1 44 44 LEU N N 44 122.188 122.188 119.668 2.520 18400 2296 1 10 . 1 1 44 44 LEU HA H 44 4.428 4.428 4.312 0.116 18400 2297 1 10 . 1 1 44 44 LEU C C 44 178.294 178.294 176.962 1.332 18400 2298 1 10 . 1 1 44 44 LEU CA C 44 56.434 56.434 54.970 1.464 18400 2299 1 10 . 1 1 44 44 LEU CB C 44 42.835 42.835 41.021 1.814 18400 2300 1 10 . 1 1 44 44 LEU H H 44 7.387 7.387 7.127 0.260 18400 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 37 3.250 0.000 3.295 18400 2 1 1 "Average Difference" HA 47 0.660 -0.031 0.666 18400 3 1 1 "Average Difference" C 37 1.169 -0.829 0.835 18400 4 1 1 "Average Difference" CA 40 1.374 0.056 1.390 18400 5 1 1 "Average Difference" CB 38 1.209 -0.177 1.212 18400 6 1 1 "Average Difference" HN 39 0.607 -0.171 0.590 18400 7 1 2 "Average Difference" N 37 3.124 -0.015 3.167 18400 8 1 2 "Average Difference" HA 47 0.652 -0.042 0.658 18400 9 1 2 "Average Difference" C 37 1.156 -0.817 0.829 18400 10 1 2 "Average Difference" CA 40 1.272 0.097 1.284 18400 11 1 2 "Average Difference" CB 38 1.164 -0.102 1.175 18400 12 1 2 "Average Difference" HN 39 0.595 -0.169 0.577 18400 13 1 3 "Average Difference" N 37 3.177 0.261 3.210 18400 14 1 3 "Average Difference" HA 47 0.649 -0.028 0.655 18400 15 1 3 "Average Difference" C 37 1.293 -0.933 0.907 18400 16 1 3 "Average Difference" CA 40 1.265 -0.111 1.276 18400 17 1 3 "Average Difference" CB 38 1.345 -0.107 1.358 18400 18 1 3 "Average Difference" HN 39 0.667 -0.220 0.638 18400 19 1 4 "Average Difference" N 37 2.960 0.192 2.994 18400 20 1 4 "Average Difference" HA 47 0.656 -0.036 0.662 18400 21 1 4 "Average Difference" C 37 1.238 -0.868 0.895 18400 22 1 4 "Average Difference" CA 40 1.316 -0.023 1.332 18400 23 1 4 "Average Difference" CB 38 1.328 -0.217 1.328 18400 24 1 4 "Average Difference" HN 39 0.588 -0.148 0.577 18400 25 1 5 "Average Difference" N 37 3.111 0.168 3.149 18400 26 1 5 "Average Difference" HA 47 0.668 -0.042 0.674 18400 27 1 5 "Average Difference" C 37 1.211 -0.855 0.869 18400 28 1 5 "Average Difference" CA 40 1.331 0.056 1.347 18400 29 1 5 "Average Difference" CB 38 1.403 -0.083 1.419 18400 30 1 5 "Average Difference" HN 39 0.625 -0.182 0.606 18400 31 1 6 "Average Difference" N 37 3.061 0.329 3.085 18400 32 1 6 "Average Difference" HA 47 0.669 -0.096 0.669 18400 33 1 6 "Average Difference" C 37 1.218 -0.789 0.940 18400 34 1 6 "Average Difference" CA 40 1.139 0.119 1.147 18400 35 1 6 "Average Difference" CB 38 1.326 -0.192 1.330 18400 36 1 6 "Average Difference" HN 39 0.638 -0.180 0.620 18400 37 1 7 "Average Difference" N 37 3.390 -0.397 3.413 18400 38 1 7 "Average Difference" HA 47 0.676 -0.062 0.680 18400 39 1 7 "Average Difference" C 37 1.253 -0.892 0.892 18400 40 1 7 "Average Difference" CA 40 1.345 0.029 1.362 18400 41 1 7 "Average Difference" CB 38 1.313 -0.121 1.325 18400 42 1 7 "Average Difference" HN 39 0.676 -0.232 0.643 18400 43 1 8 "Average Difference" N 37 2.885 0.504 2.879 18400 44 1 8 "Average Difference" HA 47 0.675 -0.091 0.676 18400 45 1 8 "Average Difference" C 37 1.200 -0.801 0.907 18400 46 1 8 "Average Difference" CA 40 1.278 -0.038 1.294 18400 47 1 8 "Average Difference" CB 38 1.557 -0.217 1.563 18400 48 1 8 "Average Difference" HN 39 0.608 -0.176 0.590 18400 49 1 9 "Average Difference" N 37 2.856 0.457 2.859 18400 50 1 9 "Average Difference" HA 47 0.648 -0.044 0.653 18400 51 1 9 "Average Difference" C 37 1.163 -0.829 0.828 18400 52 1 9 "Average Difference" CA 40 1.188 0.122 1.197 18400 53 1 9 "Average Difference" CB 38 1.296 -0.123 1.308 18400 54 1 9 "Average Difference" HN 39 0.589 -0.154 0.576 18400 55 1 10 "Average Difference" N 37 3.362 -0.397 3.384 18400 56 1 10 "Average Difference" HA 47 0.659 -0.015 0.666 18400 57 1 10 "Average Difference" C 37 1.215 -0.876 0.853 18400 58 1 10 "Average Difference" CA 40 1.329 -0.048 1.345 18400 59 1 10 "Average Difference" CB 38 1.249 -0.165 1.254 18400 60 1 10 "Average Difference" HN 39 0.638 -0.180 0.620 18400 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 18400 _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 GLN N N 2 122.420 122.420 121.275 1.145 18400 2 1 . 1 1 2 2 GLN HA H 2 4.665 4.665 4.604 0.061 18400 3 1 . 1 1 2 2 GLN CA C 2 53.740 53.740 54.394 -0.653 18400 4 1 . 1 1 2 2 GLN CB C 2 28.509 28.509 29.425 -0.916 18400 5 1 . 1 1 2 2 GLN H H 2 8.573 8.573 8.079 0.494 18400 6 1 . 1 1 3 3 PRO HA H 3 4.464 4.464 4.532 -0.068 18400 7 1 . 1 1 3 3 PRO C C 3 177.173 177.173 175.891 1.282 18400 8 1 . 1 1 3 3 PRO CA C 3 62.946 62.946 62.117 0.829 18400 9 1 . 1 1 3 3 PRO CB C 3 32.109 32.109 32.505 -0.396 18400 10 1 . 1 1 4 4 ARG N N 4 122.684 122.684 120.840 1.844 18400 11 1 . 1 1 4 4 ARG HA H 4 4.578 4.578 4.220 0.358 18400 12 1 . 1 1 4 4 ARG CA C 4 53.646 53.646 55.644 -1.998 18400 13 1 . 1 1 4 4 ARG CB C 4 29.634 29.634 29.306 0.328 18400 14 1 . 1 1 4 4 ARG H H 4 8.438 8.438 8.496 -0.058 18400 15 1 . 1 1 5 5 PRO HA H 5 4.400 4.400 4.538 -0.138 18400 16 1 . 1 1 5 5 PRO C C 5 177.137 177.137 175.659 1.478 18400 17 1 . 1 1 5 5 PRO CA C 5 62.490 62.490 62.378 0.112 18400 18 1 . 1 1 5 5 PRO CB C 5 31.928 31.928 32.530 -0.602 18400 19 1 . 1 1 6 6 ALA N N 6 123.540 123.540 126.441 -2.901 18400 20 1 . 1 1 6 6 ALA HA H 6 3.919 3.919 4.310 -0.391 18400 21 1 . 1 1 6 6 ALA C C 6 176.845 176.845 176.069 0.776 18400 22 1 . 1 1 6 6 ALA CA C 6 53.270 53.270 51.166 2.104 18400 23 1 . 1 1 6 6 ALA CB C 6 19.045 19.045 19.883 -0.837 18400 24 1 . 1 1 6 6 ALA H H 6 8.360 8.360 8.076 0.284 18400 25 1 . 1 1 7 7 LYS N N 7 121.074 121.074 119.986 1.088 18400 26 1 . 1 1 7 7 LYS HA H 7 4.306 4.306 4.373 -0.067 18400 27 1 . 1 1 7 7 LYS C C 7 175.113 175.113 174.436 0.677 18400 28 1 . 1 1 7 7 LYS CA C 7 56.621 56.621 55.639 0.982 18400 29 1 . 1 1 7 7 LYS CB C 7 36.158 36.158 32.528 3.630 18400 30 1 . 1 1 7 7 LYS H H 7 7.691 7.691 7.894 -0.204 18400 31 1 . 1 1 8 8 TYR N N 8 117.325 117.325 121.478 -4.152 18400 32 1 . 1 1 8 8 TYR HA H 8 5.660 5.660 4.662 0.998 18400 33 1 . 1 1 8 8 TYR C C 8 175.278 175.278 174.207 1.071 18400 34 1 . 1 1 8 8 TYR CA C 8 56.011 56.011 56.462 -0.451 18400 35 1 . 1 1 8 8 TYR CB C 8 42.531 42.531 42.724 -0.193 18400 36 1 . 1 1 8 8 TYR H H 8 8.349 8.349 8.254 0.095 18400 37 1 . 1 1 9 9 LYS N N 9 120.812 120.812 122.239 -1.427 18400 38 1 . 1 1 9 9 LYS HA H 9 5.647 5.647 4.938 0.709 18400 39 1 . 1 1 9 9 LYS C C 9 174.978 174.978 175.229 -0.251 18400 40 1 . 1 1 9 9 LYS CA C 9 54.767 54.767 55.674 -0.907 18400 41 1 . 1 1 9 9 LYS CB C 9 36.033 36.033 34.374 1.659 18400 42 1 . 1 1 9 9 LYS H H 9 9.648 9.648 8.902 0.746 18400 43 1 . 1 1 10 10 PHE N N 10 118.595 118.595 124.665 -6.070 18400 44 1 . 1 1 10 10 PHE HA H 10 5.220 5.220 4.892 0.328 18400 45 1 . 1 1 10 10 PHE C C 10 172.698 172.698 172.474 0.224 18400 46 1 . 1 1 10 10 PHE CA C 10 55.854 55.854 56.402 -0.548 18400 47 1 . 1 1 10 10 PHE CB C 10 40.607 40.607 41.861 -1.254 18400 48 1 . 1 1 10 10 PHE H H 10 8.890 8.890 8.559 0.331 18400 49 1 . 1 1 11 11 THR N N 11 117.249 117.249 115.063 2.186 18400 50 1 . 1 1 11 11 THR HA H 11 4.745 4.745 4.266 0.479 18400 51 1 . 1 1 11 11 THR C C 11 175.071 175.071 172.882 2.189 18400 52 1 . 1 1 11 11 THR CA C 11 61.667 61.667 60.445 1.222 18400 53 1 . 1 1 11 11 THR CB C 11 69.324 69.324 69.450 -0.126 18400 54 1 . 1 1 11 11 THR H H 11 8.904 8.904 7.667 1.237 18400 55 1 . 1 1 12 12 ASP N N 12 127.813 127.813 126.061 1.752 18400 56 1 . 1 1 12 12 ASP HA H 12 4.903 4.903 3.943 0.960 18400 57 1 . 1 1 12 12 ASP C C 12 179.041 179.041 177.490 1.551 18400 58 1 . 1 1 12 12 ASP CA C 12 52.773 52.773 54.820 -2.048 18400 59 1 . 1 1 12 12 ASP CB C 12 38.879 38.879 41.729 -2.850 18400 60 1 . 1 1 12 12 ASP H H 12 8.993 8.993 8.118 0.876 18400 61 1 . 1 1 13 13 VAL N N 13 117.388 117.388 119.809 -2.421 18400 62 1 . 1 1 13 13 VAL HA H 13 3.990 3.990 3.760 0.229 18400 63 1 . 1 1 13 13 VAL C C 13 176.796 176.796 176.029 0.767 18400 64 1 . 1 1 13 13 VAL CA C 13 64.349 64.349 64.352 -0.003 18400 65 1 . 1 1 13 13 VAL CB C 13 31.652 31.652 31.886 -0.234 18400 66 1 . 1 1 13 13 VAL H H 13 8.950 8.950 8.514 0.436 18400 67 1 . 1 1 14 14 ASN N N 14 117.303 117.303 116.275 1.028 18400 68 1 . 1 1 14 14 ASN HA H 14 4.781 4.781 4.644 0.137 18400 69 1 . 1 1 14 14 ASN C C 14 176.606 176.606 175.507 1.099 18400 70 1 . 1 1 14 14 ASN CB C 14 38.851 38.851 39.133 -0.282 18400 71 1 . 1 1 14 14 ASN H H 14 8.011 8.011 8.079 -0.068 18400 72 1 . 1 1 15 15 GLY N N 15 108.443 108.443 108.011 0.432 18400 73 1 . 1 1 15 15 GLY C C 15 174.799 174.799 173.605 1.194 18400 74 1 . 1 1 15 15 GLY CA C 15 45.246 45.246 44.914 0.332 18400 75 1 . 1 1 15 15 GLY H H 15 8.288 8.288 7.555 0.733 18400 76 1 . 1 1 16 16 GLU N N 16 122.005 122.005 120.173 1.832 18400 77 1 . 1 1 16 16 GLU HA H 16 4.373 4.373 4.280 0.093 18400 78 1 . 1 1 16 16 GLU C C 16 176.564 176.564 175.534 1.030 18400 79 1 . 1 1 16 16 GLU CA C 16 55.798 55.798 56.429 -0.631 18400 80 1 . 1 1 16 16 GLU CB C 16 30.932 30.932 29.925 1.007 18400 81 1 . 1 1 16 16 GLU H H 16 8.045 8.045 8.079 -0.034 18400 82 1 . 1 1 17 17 THR N N 17 120.458 120.458 116.752 3.706 18400 83 1 . 1 1 17 17 THR HA H 17 4.583 4.583 5.101 -0.518 18400 84 1 . 1 1 17 17 THR C C 17 174.583 174.583 173.932 0.650 18400 85 1 . 1 1 17 17 THR CA C 17 63.471 63.471 61.596 1.875 18400 86 1 . 1 1 17 17 THR CB C 17 69.004 69.004 69.344 -0.341 18400 87 1 . 1 1 17 17 THR H H 17 8.758 8.758 8.344 0.414 18400 88 1 . 1 1 18 18 LYS N N 18 129.000 129.000 124.729 4.271 18400 89 1 . 1 1 18 18 LYS HA H 18 4.581 4.581 4.795 -0.214 18400 90 1 . 1 1 18 18 LYS C C 18 174.995 174.995 174.993 0.002 18400 91 1 . 1 1 18 18 LYS CB C 18 36.219 36.219 36.263 -0.044 18400 92 1 . 1 1 18 18 LYS H H 18 8.848 8.848 8.171 0.677 18400 93 1 . 1 1 19 19 THR N N 19 107.308 107.308 113.120 -5.812 18400 94 1 . 1 1 19 19 THR HA H 19 5.662 5.662 4.758 0.904 18400 95 1 . 1 1 19 19 THR C C 19 175.135 175.135 173.957 1.178 18400 96 1 . 1 1 19 19 THR CA C 19 59.541 59.541 62.206 -2.665 18400 97 1 . 1 1 19 19 THR CB C 19 72.571 72.571 69.310 3.260 18400 98 1 . 1 1 19 19 THR H H 19 8.023 8.023 8.347 -0.324 18400 99 1 . 1 1 20 20 TRP N N 20 120.113 120.113 127.410 -7.297 18400 100 1 . 1 1 20 20 TRP HA H 20 5.793 5.793 4.557 1.236 18400 101 1 . 1 1 20 20 TRP CA C 20 55.233 55.233 56.814 -1.581 18400 102 1 . 1 1 20 20 TRP CB C 20 33.193 33.193 30.856 2.337 18400 103 1 . 1 1 20 20 TRP H H 20 9.317 9.317 8.216 1.101 18400 104 1 . 1 1 21 21 THR HA H 21 4.280 4.280 4.270 0.010 18400 105 1 . 1 1 21 21 THR CA C 21 62.844 62.844 61.541 1.303 18400 106 1 . 1 1 21 21 THR CB C 21 70.918 70.918 70.253 0.665 18400 107 1 . 1 1 21 21 THR H H 21 8.449 8.449 7.651 0.798 18400 108 1 . 1 1 22 22 GLY C C 22 172.841 172.841 172.976 -0.135 18400 109 1 . 1 1 22 22 GLY CA C 22 44.229 44.229 44.490 -0.261 18400 110 1 . 1 1 22 22 GLY H H 22 7.928 7.928 7.353 0.575 18400 111 1 . 1 1 23 23 GLN N N 23 117.973 117.973 121.370 -3.397 18400 112 1 . 1 1 23 23 GLN HA H 23 4.533 4.533 4.211 0.322 18400 113 1 . 1 1 23 23 GLN C C 23 176.979 176.979 175.963 1.016 18400 114 1 . 1 1 23 23 GLN CA C 23 54.099 54.099 56.616 -2.517 18400 115 1 . 1 1 23 23 GLN CB C 23 30.565 30.565 29.372 1.193 18400 116 1 . 1 1 23 23 GLN H H 23 7.141 7.141 7.282 -0.141 18400 117 1 . 1 1 24 24 GLY N N 24 111.998 111.998 107.425 4.573 18400 118 1 . 1 1 24 24 GLY C C 24 174.510 174.510 173.866 0.644 18400 119 1 . 1 1 24 24 GLY CA C 24 44.906 44.906 45.330 -0.424 18400 120 1 . 1 1 24 24 GLY H H 24 8.841 8.841 8.603 0.238 18400 121 1 . 1 1 25 25 ARG N N 25 121.958 121.958 123.112 -1.154 18400 122 1 . 1 1 25 25 ARG HA H 25 4.179 4.179 4.373 -0.194 18400 123 1 . 1 1 25 25 ARG C C 25 177.025 177.025 175.400 1.625 18400 124 1 . 1 1 25 25 ARG CA C 25 56.285 56.285 56.405 -0.120 18400 125 1 . 1 1 25 25 ARG CB C 25 29.885 29.885 30.546 -0.661 18400 126 1 . 1 1 25 25 ARG H H 25 8.444 8.444 8.304 0.140 18400 127 1 . 1 1 26 26 THR N N 26 122.468 122.468 119.410 3.058 18400 128 1 . 1 1 26 26 THR HA H 26 3.226 3.226 4.760 -1.533 18400 129 1 . 1 1 26 26 THR CA C 26 60.422 60.422 59.097 1.325 18400 130 1 . 1 1 26 26 THR CB C 26 69.088 69.088 68.796 0.292 18400 131 1 . 1 1 26 26 THR H H 26 8.369 8.369 8.406 -0.037 18400 132 1 . 1 1 27 27 PRO HA H 27 3.867 3.867 4.178 -0.311 18400 133 1 . 1 1 27 27 PRO C C 27 177.571 177.571 178.154 -0.583 18400 134 1 . 1 1 27 27 PRO CA C 27 62.174 62.174 62.911 -0.737 18400 135 1 . 1 1 27 27 PRO CB C 27 32.818 32.818 31.970 0.848 18400 136 1 . 1 1 28 28 LYS N N 28 126.298 126.298 121.952 4.346 18400 137 1 . 1 1 28 28 LYS HA H 28 3.925 3.925 3.977 -0.052 18400 138 1 . 1 1 28 28 LYS CA C 28 60.815 60.815 61.302 -0.487 18400 139 1 . 1 1 28 28 LYS H H 28 8.903 8.903 8.840 0.063 18400 140 1 . 1 1 29 29 PRO HA H 29 4.289 4.289 4.267 0.022 18400 141 1 . 1 1 29 29 PRO C C 29 180.695 180.695 178.847 1.848 18400 142 1 . 1 1 29 29 PRO CA C 29 65.875 65.875 65.432 0.443 18400 143 1 . 1 1 29 29 PRO CB C 29 31.770 31.770 31.078 0.692 18400 144 1 . 1 1 30 30 ILE N N 30 114.387 114.387 117.952 -3.565 18400 145 1 . 1 1 30 30 ILE HA H 30 3.021 3.021 3.914 -0.893 18400 146 1 . 1 1 30 30 ILE C C 30 176.633 176.633 178.110 -1.477 18400 147 1 . 1 1 30 30 ILE CA C 30 63.949 63.949 63.640 0.309 18400 148 1 . 1 1 30 30 ILE CB C 30 36.650 36.650 36.637 0.013 18400 149 1 . 1 1 30 30 ILE H H 30 6.051 6.051 7.930 -1.879 18400 150 1 . 1 1 31 31 ALA N N 31 123.060 123.060 122.479 0.581 18400 151 1 . 1 1 31 31 ALA HA H 31 3.720 3.720 3.981 -0.261 18400 152 1 . 1 1 31 31 ALA C C 31 181.571 181.571 179.602 1.969 18400 153 1 . 1 1 31 31 ALA CA C 31 55.456 55.456 55.797 -0.342 18400 154 1 . 1 1 31 31 ALA CB C 31 17.825 17.825 17.855 -0.030 18400 155 1 . 1 1 31 31 ALA H H 31 7.922 7.922 8.828 -0.906 18400 156 1 . 1 1 32 32 GLN N N 32 117.568 117.568 119.077 -1.509 18400 157 1 . 1 1 32 32 GLN HA H 32 3.934 3.934 4.051 -0.117 18400 158 1 . 1 1 32 32 GLN C C 32 178.025 178.025 178.128 -0.103 18400 159 1 . 1 1 32 32 GLN CA C 32 58.424 58.424 58.835 -0.411 18400 160 1 . 1 1 32 32 GLN CB C 32 28.285 28.285 28.540 -0.255 18400 161 1 . 1 1 32 32 GLN H H 32 8.438 8.438 7.852 0.586 18400 162 1 . 1 1 33 33 ALA N N 33 121.972 121.972 122.798 -0.826 18400 163 1 . 1 1 33 33 ALA HA H 33 4.282 4.282 4.196 0.086 18400 164 1 . 1 1 33 33 ALA C C 33 181.426 181.426 179.824 1.602 18400 165 1 . 1 1 33 33 ALA CA C 33 55.082 55.082 55.070 0.012 18400 166 1 . 1 1 33 33 ALA CB C 33 18.720 18.720 18.541 0.179 18400 167 1 . 1 1 33 33 ALA H H 33 7.099 7.099 7.483 -0.384 18400 168 1 . 1 1 34 34 LEU N N 34 119.898 119.898 119.038 0.860 18400 169 1 . 1 1 34 34 LEU HA H 34 4.297 4.297 4.618 -0.321 18400 170 1 . 1 1 34 34 LEU C C 34 182.198 182.198 180.183 2.015 18400 171 1 . 1 1 34 34 LEU CA C 34 57.310 57.310 57.243 0.067 18400 172 1 . 1 1 34 34 LEU CB C 34 40.490 40.490 42.030 -1.540 18400 173 1 . 1 1 34 34 LEU H H 34 8.538 8.538 8.727 -0.189 18400 174 1 . 1 1 35 35 ALA N N 35 122.660 122.660 121.827 0.833 18400 175 1 . 1 1 35 35 ALA HA H 35 4.222 4.222 4.111 0.111 18400 176 1 . 1 1 35 35 ALA C C 35 179.762 179.762 179.076 0.686 18400 177 1 . 1 1 35 35 ALA CA C 35 54.226 54.226 54.681 -0.455 18400 178 1 . 1 1 35 35 ALA CB C 35 17.744 17.744 18.254 -0.510 18400 179 1 . 1 1 35 35 ALA H H 35 7.741 7.741 8.378 -0.637 18400 180 1 . 1 1 36 36 GLU N N 36 116.640 116.640 116.415 0.225 18400 181 1 . 1 1 36 36 GLU HA H 36 4.403 4.403 4.280 0.123 18400 182 1 . 1 1 36 36 GLU C C 36 177.531 177.531 177.430 0.101 18400 183 1 . 1 1 36 36 GLU CA C 36 55.856 55.856 56.766 -0.910 18400 184 1 . 1 1 36 36 GLU CB C 36 29.741 29.741 30.084 -0.343 18400 185 1 . 1 1 36 36 GLU H H 36 7.496 7.496 7.717 -0.221 18400 186 1 . 1 1 37 37 GLY N N 37 106.885 106.885 106.767 0.118 18400 187 1 . 1 1 37 37 GLY C C 37 176.072 176.072 174.390 1.682 18400 188 1 . 1 1 37 37 GLY CA C 37 45.369 45.369 44.913 0.456 18400 189 1 . 1 1 37 37 GLY H H 37 7.802 7.802 8.062 -0.260 18400 190 1 . 1 1 38 38 LYS N N 38 120.419 120.419 121.398 -0.979 18400 191 1 . 1 1 38 38 LYS HA H 38 4.479 4.479 4.546 -0.067 18400 192 1 . 1 1 38 38 LYS C C 38 174.921 174.921 175.744 -0.823 18400 193 1 . 1 1 38 38 LYS CA C 38 55.927 55.927 55.298 0.629 18400 194 1 . 1 1 38 38 LYS CB C 38 31.850 31.850 33.549 -1.699 18400 195 1 . 1 1 38 38 LYS H H 38 7.935 7.935 7.608 0.327 18400 196 1 . 1 1 39 39 SER N N 39 114.172 114.172 115.345 -1.173 18400 197 1 . 1 1 39 39 SER HA H 39 4.812 4.812 4.519 0.293 18400 198 1 . 1 1 39 39 SER C C 39 176.690 176.690 175.875 0.815 18400 199 1 . 1 1 39 39 SER CA C 39 56.473 56.473 57.164 -0.691 18400 200 1 . 1 1 39 39 SER CB C 39 65.933 65.933 64.291 1.642 18400 201 1 . 1 1 39 39 SER H H 39 8.579 8.579 8.496 0.083 18400 202 1 . 1 1 40 40 LEU N N 40 126.212 126.212 122.412 3.800 18400 203 1 . 1 1 40 40 LEU HA H 40 4.201 4.201 4.018 0.183 18400 204 1 . 1 1 40 40 LEU C C 40 179.329 179.329 177.817 1.512 18400 205 1 . 1 1 40 40 LEU CA C 40 58.049 58.049 56.034 2.015 18400 206 1 . 1 1 40 40 LEU CB C 40 41.038 41.038 41.639 -0.601 18400 207 1 . 1 1 40 40 LEU H H 40 9.038 9.038 8.930 0.108 18400 208 1 . 1 1 41 41 ASP N N 41 115.700 115.700 118.668 -2.968 18400 209 1 . 1 1 41 41 ASP HA H 41 4.580 4.580 3.984 0.596 18400 210 1 . 1 1 41 41 ASP C C 41 179.063 179.063 177.741 1.322 18400 211 1 . 1 1 41 41 ASP CA C 41 56.353 56.353 56.886 -0.533 18400 212 1 . 1 1 41 41 ASP CB C 41 40.217 40.217 40.108 0.109 18400 213 1 . 1 1 41 41 ASP H H 41 8.217 8.217 8.168 0.049 18400 214 1 . 1 1 42 42 ASP N N 42 119.466 119.466 119.171 0.295 18400 215 1 . 1 1 42 42 ASP HA H 42 4.422 4.422 4.393 0.029 18400 216 1 . 1 1 42 42 ASP C C 42 177.484 177.484 176.932 0.552 18400 217 1 . 1 1 42 42 ASP CB C 42 40.234 40.234 40.986 -0.752 18400 218 1 . 1 1 42 42 ASP H H 42 7.959 7.959 7.396 0.563 18400 219 1 . 1 1 43 43 PHE N N 43 117.109 117.109 116.206 0.903 18400 220 1 . 1 1 43 43 PHE HA H 43 4.873 4.873 4.721 0.152 18400 221 1 . 1 1 43 43 PHE C C 43 175.641 175.641 174.700 0.941 18400 222 1 . 1 1 43 43 PHE CA C 43 58.196 58.196 55.240 2.956 18400 223 1 . 1 1 43 43 PHE CB C 43 39.344 39.344 38.472 0.872 18400 224 1 . 1 1 43 43 PHE H H 43 8.320 8.320 7.152 1.168 18400 225 1 . 1 1 44 44 LEU N N 44 122.188 122.188 119.487 2.701 18400 226 1 . 1 1 44 44 LEU HA H 44 4.428 4.428 4.215 0.213 18400 227 1 . 1 1 44 44 LEU C C 44 178.294 178.294 177.015 1.279 18400 228 1 . 1 1 44 44 LEU CA C 44 56.434 56.434 55.066 1.368 18400 229 1 . 1 1 44 44 LEU CB C 44 42.835 42.835 41.383 1.452 18400 230 1 . 1 1 44 44 LEU H H 44 7.387 7.387 7.098 0.289 18400 stop_ save_