data_18987 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18987 _Entry.PDB_ID 2M46 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 18987 _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 ILE N N 2 124.348 124.348 121.463 2.885 18987 2 1 1 . 1 1 2 2 ILE HA H 2 3.576 3.576 3.870 -0.294 18987 3 1 1 . 1 1 2 2 ILE C C 2 175.884 175.884 175.868 0.016 18987 4 1 1 . 1 1 2 2 ILE CA C 2 62.790 62.790 61.816 0.974 18987 5 1 1 . 1 1 2 2 ILE CB C 2 40.400 40.400 37.877 2.523 18987 6 1 1 . 1 1 2 2 ILE H H 2 7.539 7.539 8.179 -0.640 18987 7 1 1 . 1 1 3 3 LYS N N 3 128.600 128.600 126.801 1.799 18987 8 1 1 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.411 -0.076 18987 9 1 1 . 1 1 3 3 LYS C C 3 173.322 173.322 175.483 -2.161 18987 10 1 1 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.117 2.513 18987 11 1 1 . 1 1 3 3 LYS CB C 3 32.800 32.800 31.032 1.768 18987 12 1 1 . 1 1 3 3 LYS H H 3 8.524 8.524 8.758 -0.234 18987 13 1 1 . 1 1 4 4 PHE N N 4 128.560 128.560 127.536 1.024 18987 14 1 1 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.826 0.009 18987 15 1 1 . 1 1 4 4 PHE C C 4 172.546 172.546 173.934 -1.388 18987 16 1 1 . 1 1 4 4 PHE CA C 4 56.570 56.570 55.668 0.902 18987 17 1 1 . 1 1 4 4 PHE CB C 4 42.600 42.600 39.321 3.279 18987 18 1 1 . 1 1 4 4 PHE H H 4 8.412 8.412 8.193 0.219 18987 19 1 1 . 1 1 5 5 TYR N N 5 125.785 125.785 128.086 -2.301 18987 20 1 1 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.253 -0.127 18987 21 1 1 . 1 1 5 5 TYR C C 5 175.852 175.852 175.082 0.770 18987 22 1 1 . 1 1 5 5 TYR CA C 5 57.980 57.980 57.650 0.330 18987 23 1 1 . 1 1 5 5 TYR CB C 5 38.550 38.550 39.046 -0.496 18987 24 1 1 . 1 1 5 5 TYR H H 5 9.313 9.313 8.682 0.631 18987 25 1 1 . 1 1 6 6 GLN N N 6 117.436 117.436 119.588 -2.152 18987 26 1 1 . 1 1 6 6 GLN HA H 6 4.622 4.622 5.267 -0.645 18987 27 1 1 . 1 1 6 6 GLN C C 6 171.951 171.951 173.762 -1.811 18987 28 1 1 . 1 1 6 6 GLN CA C 6 53.430 53.430 53.225 0.205 18987 29 1 1 . 1 1 6 6 GLN CB C 6 30.490 30.490 33.158 -2.668 18987 30 1 1 . 1 1 6 6 GLN H H 6 9.110 9.110 8.880 0.230 18987 31 1 1 . 1 1 7 7 TYR N N 7 116.309 116.309 119.650 -3.341 18987 32 1 1 . 1 1 7 7 TYR HA H 7 4.953 4.953 5.080 -0.127 18987 33 1 1 . 1 1 7 7 TYR CA C 7 56.130 56.130 58.629 -2.498 18987 34 1 1 . 1 1 7 7 TYR CB C 7 42.860 42.860 41.266 1.595 18987 35 1 1 . 1 1 7 7 TYR H H 7 7.075 7.075 8.034 -0.959 18987 36 1 1 . 1 1 12 12 THR HA H 12 3.868 3.868 4.061 -0.193 18987 37 1 1 . 1 1 12 12 THR C C 12 176.203 176.203 176.987 -0.784 18987 38 1 1 . 1 1 12 12 THR CA C 12 65.930 65.930 65.745 0.185 18987 39 1 1 . 1 1 12 12 THR CB C 12 68.630 68.630 68.198 0.431 18987 40 1 1 . 1 1 13 13 CYS N N 13 116.721 116.721 120.103 -3.382 18987 41 1 1 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.406 -0.175 18987 42 1 1 . 1 1 13 13 CYS C C 13 174.938 174.938 176.824 -1.886 18987 43 1 1 . 1 1 13 13 CYS CA C 13 63.790 63.790 63.385 0.405 18987 44 1 1 . 1 1 13 13 CYS CB C 13 33.590 33.590 27.630 5.960 18987 45 1 1 . 1 1 13 13 CYS H H 13 8.441 8.441 7.877 0.564 18987 46 1 1 . 1 1 14 14 LYS N N 14 119.429 119.429 119.578 -0.149 18987 47 1 1 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.107 -0.070 18987 48 1 1 . 1 1 14 14 LYS C C 14 179.370 179.370 179.104 0.266 18987 49 1 1 . 1 1 14 14 LYS CA C 14 59.150 59.150 58.422 0.728 18987 50 1 1 . 1 1 14 14 LYS CB C 14 32.270 32.270 31.568 0.702 18987 51 1 1 . 1 1 14 14 LYS H H 14 7.805 7.805 7.728 0.077 18987 52 1 1 . 1 1 15 15 LYS N N 15 119.379 119.379 119.583 -0.204 18987 53 1 1 . 1 1 15 15 LYS HA H 15 3.677 3.677 3.943 -0.266 18987 54 1 1 . 1 1 15 15 LYS C C 15 177.999 177.999 178.884 -0.885 18987 55 1 1 . 1 1 15 15 LYS CA C 15 59.270 59.270 58.880 0.390 18987 56 1 1 . 1 1 15 15 LYS CB C 15 32.630 32.630 31.651 0.980 18987 57 1 1 . 1 1 15 15 LYS H H 15 7.612 7.612 8.031 -0.419 18987 58 1 1 . 1 1 16 16 ALA N N 16 122.940 122.940 121.124 1.816 18987 59 1 1 . 1 1 16 16 ALA HA H 16 2.906 2.906 3.967 -1.061 18987 60 1 1 . 1 1 16 16 ALA C C 16 177.999 177.999 179.213 -1.214 18987 61 1 1 . 1 1 16 16 ALA CA C 16 54.370 54.370 54.825 -0.455 18987 62 1 1 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.110 1.160 18987 63 1 1 . 1 1 16 16 ALA H H 16 7.346 7.346 7.925 -0.579 18987 64 1 1 . 1 1 17 17 ALA N N 17 120.093 120.093 120.362 -0.269 18987 65 1 1 . 1 1 17 17 ALA HA H 17 2.965 2.965 2.912 0.053 18987 66 1 1 . 1 1 17 17 ALA C C 17 178.466 178.466 178.963 -0.497 18987 67 1 1 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.655 0.215 18987 68 1 1 . 1 1 17 17 ALA CB C 17 17.270 17.270 18.094 -0.824 18987 69 1 1 . 1 1 17 17 ALA H H 17 7.959 7.959 7.868 0.091 18987 70 1 1 . 1 1 18 18 LYS N N 18 115.894 115.894 119.701 -3.807 18987 71 1 1 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.032 -0.067 18987 72 1 1 . 1 1 18 18 LYS C C 18 178.647 178.647 178.455 0.192 18987 73 1 1 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.816 0.093 18987 74 1 1 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.184 -0.005 18987 75 1 1 . 1 1 18 18 LYS H H 18 7.565 7.565 7.739 -0.174 18987 76 1 1 . 1 1 19 19 PHE N N 19 120.854 120.854 119.847 1.007 18987 77 1 1 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.276 -0.037 18987 78 1 1 . 1 1 19 19 PHE C C 19 176.925 176.925 177.127 -0.202 18987 79 1 1 . 1 1 19 19 PHE CA C 19 61.730 61.730 61.609 0.121 18987 80 1 1 . 1 1 19 19 PHE CB C 19 39.140 39.140 39.325 -0.185 18987 81 1 1 . 1 1 19 19 PHE H H 19 7.496 7.496 7.739 -0.243 18987 82 1 1 . 1 1 20 20 LEU N N 20 118.913 118.913 119.591 -0.678 18987 83 1 1 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.673 0.225 18987 84 1 1 . 1 1 20 20 LEU C C 20 179.657 179.657 178.279 1.378 18987 85 1 1 . 1 1 20 20 LEU CA C 20 58.330 58.330 58.160 0.171 18987 86 1 1 . 1 1 20 20 LEU CB C 20 40.460 40.460 41.034 -0.574 18987 87 1 1 . 1 1 20 20 LEU H H 20 8.012 8.012 8.196 -0.184 18987 88 1 1 . 1 1 21 21 ASP N N 21 118.448 118.448 118.347 0.101 18987 89 1 1 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.371 0.085 18987 90 1 1 . 1 1 21 21 ASP C C 21 180.358 180.358 179.275 1.083 18987 91 1 1 . 1 1 21 21 ASP CA C 21 57.680 57.680 57.326 0.354 18987 92 1 1 . 1 1 21 21 ASP CB C 21 40.520 40.520 40.851 -0.331 18987 93 1 1 . 1 1 21 21 ASP H H 21 8.814 8.814 7.947 0.867 18987 94 1 1 . 1 1 22 22 GLU N N 22 122.661 122.661 120.135 2.526 18987 95 1 1 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.057 -0.315 18987 96 1 1 . 1 1 22 22 GLU C C 22 178.371 178.371 177.843 0.528 18987 97 1 1 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.681 0.559 18987 98 1 1 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.549 -0.769 18987 99 1 1 . 1 1 22 22 GLU H H 22 8.544 8.544 7.855 0.689 18987 100 1 1 . 1 1 23 23 TYR N N 23 114.768 114.768 116.127 -1.359 18987 101 1 1 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.499 -0.249 18987 102 1 1 . 1 1 23 23 TYR C C 23 175.724 175.724 175.466 0.258 18987 103 1 1 . 1 1 23 23 TYR CA C 23 59.070 59.070 58.092 0.978 18987 104 1 1 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.351 0.669 18987 105 1 1 . 1 1 23 23 TYR H H 23 7.522 7.522 7.654 -0.133 18987 106 1 1 . 1 1 24 24 GLY N N 24 110.449 110.449 107.872 2.577 18987 107 1 1 . 1 1 24 24 GLY C C 24 174.534 174.534 174.927 -0.393 18987 108 1 1 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.709 1.411 18987 109 1 1 . 1 1 24 24 GLY H H 24 7.792 7.792 7.454 0.338 18987 110 1 1 . 1 1 25 25 VAL N N 25 122.714 122.714 120.453 2.261 18987 111 1 1 . 1 1 25 25 VAL HA H 25 3.959 3.959 4.051 -0.092 18987 112 1 1 . 1 1 25 25 VAL C C 25 176.266 176.266 175.751 0.515 18987 113 1 1 . 1 1 25 25 VAL CA C 25 62.000 62.000 62.202 -0.202 18987 114 1 1 . 1 1 25 25 VAL CB C 25 32.480 32.480 31.776 0.704 18987 115 1 1 . 1 1 25 25 VAL H H 25 8.393 8.393 7.958 0.435 18987 116 1 1 . 1 1 26 26 SER N N 26 123.498 123.498 121.198 2.300 18987 117 1 1 . 1 1 26 26 SER HA H 26 4.351 4.351 4.492 -0.141 18987 118 1 1 . 1 1 26 26 SER C C 26 173.513 173.513 172.811 0.702 18987 119 1 1 . 1 1 26 26 SER CA C 26 59.040 59.040 58.275 0.765 18987 120 1 1 . 1 1 26 26 SER CB C 26 63.530 63.530 64.065 -0.535 18987 121 1 1 . 1 1 26 26 SER H H 26 8.559 8.559 8.449 0.110 18987 122 1 1 . 1 1 27 27 TYR N N 27 119.756 119.756 119.035 0.721 18987 123 1 1 . 1 1 27 27 TYR HA H 27 4.983 4.983 5.139 -0.156 18987 124 1 1 . 1 1 27 27 TYR C C 27 172.355 172.355 173.567 -1.212 18987 125 1 1 . 1 1 27 27 TYR CA C 27 55.750 55.750 55.569 0.181 18987 126 1 1 . 1 1 27 27 TYR CB C 27 40.730 40.730 41.268 -0.538 18987 127 1 1 . 1 1 27 27 TYR H H 27 7.838 7.838 7.771 0.067 18987 128 1 1 . 1 1 28 28 GLU N N 28 123.126 123.126 120.883 2.243 18987 129 1 1 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.785 -0.057 18987 130 1 1 . 1 1 28 28 GLU CA C 28 51.420 51.420 51.851 -0.431 18987 131 1 1 . 1 1 28 28 GLU CB C 28 31.790 31.790 32.044 -0.254 18987 132 1 1 . 1 1 28 28 GLU H H 28 9.006 9.006 8.794 0.212 18987 133 1 1 . 1 1 29 29 PRO HA H 29 5.619 5.619 4.829 0.790 18987 134 1 1 . 1 1 29 29 PRO C C 29 177.276 177.276 176.262 1.014 18987 135 1 1 . 1 1 29 29 PRO CA C 29 61.820 61.820 63.143 -1.323 18987 136 1 1 . 1 1 29 29 PRO CB C 29 31.890 31.890 31.280 0.609 18987 137 1 1 . 1 1 30 30 ILE N N 30 127.043 127.043 119.646 7.397 18987 138 1 1 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.410 -0.306 18987 139 1 1 . 1 1 30 30 ILE C C 30 174.948 174.948 174.054 0.894 18987 140 1 1 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.333 2.027 18987 141 1 1 . 1 1 30 30 ILE CB C 30 42.210 42.210 40.728 1.482 18987 142 1 1 . 1 1 30 30 ILE H H 30 9.148 9.148 8.053 1.095 18987 143 1 1 . 1 1 31 31 ASP N N 31 128.946 128.946 123.027 5.919 18987 144 1 1 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.338 -0.446 18987 145 1 1 . 1 1 31 31 ASP C C 31 176.373 176.373 177.170 -0.797 18987 146 1 1 . 1 1 31 31 ASP CA C 31 54.600 54.600 55.479 -0.879 18987 147 1 1 . 1 1 31 31 ASP CB C 31 42.920 42.920 42.453 0.467 18987 148 1 1 . 1 1 31 31 ASP H H 31 9.092 9.092 8.588 0.504 18987 149 1 1 . 1 1 32 32 ILE N N 32 127.576 127.576 124.177 3.399 18987 150 1 1 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.309 -0.217 18987 151 1 1 . 1 1 32 32 ILE C C 32 174.013 174.013 176.281 -2.268 18987 152 1 1 . 1 1 32 32 ILE CA C 32 62.520 62.520 62.569 -0.049 18987 153 1 1 . 1 1 32 32 ILE CB C 32 40.750 40.750 39.020 1.730 18987 154 1 1 . 1 1 32 32 ILE H H 32 9.362 9.362 8.850 0.512 18987 155 1 1 . 1 1 33 33 VAL N N 33 123.498 123.498 119.458 4.040 18987 156 1 1 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.971 -0.328 18987 157 1 1 . 1 1 33 33 VAL C C 33 176.819 176.819 177.700 -0.881 18987 158 1 1 . 1 1 33 33 VAL CA C 33 65.050 65.050 64.020 1.030 18987 159 1 1 . 1 1 33 33 VAL CB C 33 31.970 31.970 31.069 0.901 18987 160 1 1 . 1 1 33 33 VAL H H 33 8.445 8.445 8.015 0.430 18987 161 1 1 . 1 1 34 34 GLN N N 34 119.897 119.897 118.698 1.199 18987 162 1 1 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.120 -0.167 18987 163 1 1 . 1 1 34 34 GLN C C 34 176.734 176.734 176.105 0.629 18987 164 1 1 . 1 1 34 34 GLN CA C 34 57.540 57.540 58.039 -0.499 18987 165 1 1 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.283 0.577 18987 166 1 1 . 1 1 34 34 GLN H H 34 8.650 8.650 8.367 0.283 18987 167 1 1 . 1 1 35 35 HIS N N 35 118.090 118.090 117.886 0.204 18987 168 1 1 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.880 0.084 18987 169 1 1 . 1 1 35 35 HIS C C 35 173.758 173.758 173.872 -0.114 18987 170 1 1 . 1 1 35 35 HIS CA C 35 53.660 53.660 54.245 -0.585 18987 171 1 1 . 1 1 35 35 HIS CB C 35 29.190 29.190 30.387 -1.197 18987 172 1 1 . 1 1 35 35 HIS H H 35 8.178 8.178 7.641 0.537 18987 173 1 1 . 1 1 36 36 THR N N 36 118.794 118.794 119.384 -0.590 18987 174 1 1 . 1 1 36 36 THR HA H 36 4.142 4.142 4.610 -0.468 18987 175 1 1 . 1 1 36 36 THR CA C 36 62.080 62.080 61.553 0.527 18987 176 1 1 . 1 1 36 36 THR CB C 36 70.180 70.180 68.636 1.544 18987 177 1 1 . 1 1 36 36 THR H H 36 7.468 7.468 7.766 -0.298 18987 178 1 1 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.314 -0.039 18987 179 1 1 . 1 1 37 37 PRO C C 37 174.970 174.970 176.501 -1.531 18987 180 1 1 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.617 0.353 18987 181 1 1 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.407 -1.977 18987 182 1 1 . 1 1 38 38 THR N N 38 111.512 111.512 113.826 -2.314 18987 183 1 1 . 1 1 38 38 THR HA H 38 4.298 4.298 4.379 -0.081 18987 184 1 1 . 1 1 38 38 THR C C 38 175.756 175.756 176.571 -0.815 18987 185 1 1 . 1 1 38 38 THR CA C 38 60.700 60.700 60.525 0.175 18987 186 1 1 . 1 1 38 38 THR CB C 38 71.560 71.560 70.458 1.102 18987 187 1 1 . 1 1 38 38 THR H H 38 8.220 8.220 7.763 0.457 18987 188 1 1 . 1 1 39 39 ILE N N 39 119.950 119.950 120.303 -0.353 18987 189 1 1 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.872 -0.195 18987 190 1 1 . 1 1 39 39 ILE C C 39 177.871 177.871 178.354 -0.483 18987 191 1 1 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.326 1.774 18987 192 1 1 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.724 0.416 18987 193 1 1 . 1 1 39 39 ILE H H 39 8.763 8.763 8.579 0.184 18987 194 1 1 . 1 1 40 40 ASN N N 40 116.189 116.189 117.980 -1.791 18987 195 1 1 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.350 -0.001 18987 196 1 1 . 1 1 40 40 ASN C C 40 178.445 178.445 177.151 1.294 18987 197 1 1 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.654 -0.324 18987 198 1 1 . 1 1 40 40 ASN CB C 40 37.940 37.940 38.176 -0.236 18987 199 1 1 . 1 1 40 40 ASN H H 40 8.180 8.180 8.490 -0.310 18987 200 1 1 . 1 1 41 41 GLU N N 41 121.970 121.970 119.871 2.099 18987 201 1 1 . 1 1 41 41 GLU HA H 41 3.915 3.915 4.018 -0.103 18987 202 1 1 . 1 1 41 41 GLU C C 41 180.093 180.093 179.037 1.056 18987 203 1 1 . 1 1 41 41 GLU CA C 41 59.590 59.590 59.031 0.559 18987 204 1 1 . 1 1 41 41 GLU CB C 41 29.750 29.750 28.974 0.776 18987 205 1 1 . 1 1 41 41 GLU H H 41 7.782 7.782 7.523 0.259 18987 206 1 1 . 1 1 42 42 PHE N N 42 118.929 118.929 119.280 -0.351 18987 207 1 1 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.132 0.038 18987 208 1 1 . 1 1 42 42 PHE C C 42 178.488 178.488 177.514 0.974 18987 209 1 1 . 1 1 42 42 PHE CA C 42 63.020 63.020 61.776 1.244 18987 210 1 1 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.655 0.575 18987 211 1 1 . 1 1 42 42 PHE H H 42 8.776 8.776 8.266 0.510 18987 212 1 1 . 1 1 43 43 LYS N N 43 118.820 118.820 117.674 1.146 18987 213 1 1 . 1 1 43 43 LYS HA H 43 3.795 3.795 3.965 -0.170 18987 214 1 1 . 1 1 43 43 LYS C C 43 179.816 179.816 178.857 0.959 18987 215 1 1 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.799 1.351 18987 216 1 1 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.944 0.296 18987 217 1 1 . 1 1 43 43 LYS H H 43 8.775 8.775 8.194 0.581 18987 218 1 1 . 1 1 44 44 THR N N 44 118.754 118.754 117.809 0.945 18987 219 1 1 . 1 1 44 44 THR HA H 44 3.894 3.894 4.061 -0.167 18987 220 1 1 . 1 1 44 44 THR C C 44 175.214 175.214 176.378 -1.164 18987 221 1 1 . 1 1 44 44 THR CA C 44 66.900 66.900 67.160 -0.260 18987 222 1 1 . 1 1 44 44 THR CB C 44 68.920 68.920 68.693 0.227 18987 223 1 1 . 1 1 44 44 THR H H 44 7.959 7.959 8.059 -0.100 18987 224 1 1 . 1 1 45 45 ILE N N 45 122.671 122.671 119.555 3.116 18987 225 1 1 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.947 -0.140 18987 226 1 1 . 1 1 45 45 ILE C C 45 180.273 180.273 177.563 2.710 18987 227 1 1 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.619 1.431 18987 228 1 1 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.443 1.307 18987 229 1 1 . 1 1 45 45 ILE H H 45 8.100 8.100 7.741 0.359 18987 230 1 1 . 1 1 46 46 ILE N N 46 123.392 123.392 121.177 2.215 18987 231 1 1 . 1 1 46 46 ILE HA H 46 3.525 3.525 4.065 -0.540 18987 232 1 1 . 1 1 46 46 ILE C C 46 178.509 178.509 177.375 1.134 18987 233 1 1 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.221 1.589 18987 234 1 1 . 1 1 46 46 ILE CB C 46 38.110 38.110 38.145 -0.035 18987 235 1 1 . 1 1 46 46 ILE H H 46 8.778 8.778 8.104 0.674 18987 236 1 1 . 1 1 47 47 ALA N N 47 123.336 123.336 121.381 1.955 18987 237 1 1 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.108 -0.060 18987 238 1 1 . 1 1 47 47 ALA C C 47 180.114 180.114 178.918 1.196 18987 239 1 1 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.651 0.249 18987 240 1 1 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.328 0.002 18987 241 1 1 . 1 1 47 47 ALA H H 47 8.232 8.232 7.833 0.399 18987 242 1 1 . 1 1 48 48 ASN N N 48 114.090 114.090 115.552 -1.462 18987 243 1 1 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.763 -0.273 18987 244 1 1 . 1 1 48 48 ASN C C 48 177.776 177.776 177.307 0.469 18987 245 1 1 . 1 1 48 48 ASN CA C 48 55.070 55.070 55.388 -0.318 18987 246 1 1 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.415 -0.745 18987 247 1 1 . 1 1 48 48 ASN H H 48 8.464 8.464 7.905 0.559 18987 248 1 1 . 1 1 49 49 THR N N 49 106.742 106.742 109.022 -2.280 18987 249 1 1 . 1 1 49 49 THR HA H 49 4.471 4.471 4.464 0.007 18987 250 1 1 . 1 1 49 49 THR C C 49 176.968 176.968 176.168 0.800 18987 251 1 1 . 1 1 49 49 THR CA C 49 62.550 62.550 63.283 -0.733 18987 252 1 1 . 1 1 49 49 THR CB C 49 72.150 72.150 70.674 1.476 18987 253 1 1 . 1 1 49 49 THR H H 49 8.035 8.035 7.951 0.084 18987 254 1 1 . 1 1 50 50 GLY N N 50 112.246 112.246 111.934 0.312 18987 255 1 1 . 1 1 50 50 GLY C C 50 174.055 174.055 174.599 -0.544 18987 256 1 1 . 1 1 50 50 GLY CA C 50 45.940 45.940 45.445 0.495 18987 257 1 1 . 1 1 50 50 GLY H H 50 8.323 8.323 7.759 0.564 18987 258 1 1 . 1 1 51 51 VAL N N 51 121.212 121.212 119.702 1.510 18987 259 1 1 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.057 -0.182 18987 260 1 1 . 1 1 51 51 VAL C C 51 173.120 173.120 175.781 -2.661 18987 261 1 1 . 1 1 51 51 VAL CA C 51 61.380 61.380 62.110 -0.730 18987 262 1 1 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.441 -1.551 18987 263 1 1 . 1 1 51 51 VAL H H 51 7.429 7.429 7.459 -0.030 18987 264 1 1 . 1 1 52 52 GLU N N 52 126.158 126.158 126.562 -0.404 18987 265 1 1 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.259 -0.150 18987 266 1 1 . 1 1 52 52 GLU C C 52 178.190 178.190 177.046 1.144 18987 267 1 1 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.956 -0.716 18987 268 1 1 . 1 1 52 52 GLU CB C 52 30.190 30.190 29.665 0.526 18987 269 1 1 . 1 1 52 52 GLU H H 52 7.881 7.881 8.485 -0.604 18987 270 1 1 . 1 1 53 53 ILE N N 53 125.807 125.807 125.387 0.420 18987 271 1 1 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.823 -0.399 18987 272 1 1 . 1 1 53 53 ILE C C 53 177.425 177.425 176.289 1.136 18987 273 1 1 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.316 2.464 18987 274 1 1 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.076 -0.116 18987 275 1 1 . 1 1 53 53 ILE H H 53 8.430 8.430 8.714 -0.284 18987 276 1 1 . 1 1 54 54 ASN N N 54 116.588 116.588 117.675 -1.087 18987 277 1 1 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.775 -0.319 18987 278 1 1 . 1 1 54 54 ASN C C 54 178.807 178.807 177.184 1.623 18987 279 1 1 . 1 1 54 54 ASN CA C 54 55.770 55.770 55.813 -0.043 18987 280 1 1 . 1 1 54 54 ASN CB C 54 37.140 37.140 37.099 0.041 18987 281 1 1 . 1 1 54 54 ASN H H 54 8.585 8.585 8.560 0.025 18987 282 1 1 . 1 1 55 55 LYS N N 55 117.013 117.013 118.129 -1.116 18987 283 1 1 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.122 -0.020 18987 284 1 1 . 1 1 55 55 LYS C C 55 176.819 176.819 176.936 -0.117 18987 285 1 1 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.282 -0.722 18987 286 1 1 . 1 1 55 55 LYS CB C 55 32.180 32.180 31.673 0.507 18987 287 1 1 . 1 1 55 55 LYS H H 55 7.661 7.661 8.235 -0.574 18987 288 1 1 . 1 1 56 56 LEU N N 56 114.768 114.768 117.666 -2.898 18987 289 1 1 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.245 -0.318 18987 290 1 1 . 1 1 56 56 LEU C C 56 176.702 176.702 176.691 0.011 18987 291 1 1 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.135 0.785 18987 292 1 1 . 1 1 56 56 LEU CB C 56 42.020 42.020 41.786 0.234 18987 293 1 1 . 1 1 56 56 LEU H H 56 7.690 7.690 7.186 0.504 18987 294 1 1 . 1 1 57 57 PHE N N 57 114.558 114.558 117.233 -2.675 18987 295 1 1 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.683 -0.235 18987 296 1 1 . 1 1 57 57 PHE C C 57 176.319 176.319 176.262 0.057 18987 297 1 1 . 1 1 57 57 PHE CA C 57 58.470 58.470 58.723 -0.253 18987 298 1 1 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.699 1.001 18987 299 1 1 . 1 1 57 57 PHE H H 57 7.032 7.032 7.389 -0.357 18987 300 1 1 . 1 1 58 58 ASN N N 58 118.674 118.674 121.813 -3.139 18987 301 1 1 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.589 -0.103 18987 302 1 1 . 1 1 58 58 ASN CA C 58 51.540 51.540 53.702 -2.162 18987 303 1 1 . 1 1 58 58 ASN CB C 58 36.910 36.910 39.398 -2.488 18987 304 1 1 . 1 1 58 58 ASN H H 58 8.659 8.659 8.494 0.165 18987 305 1 1 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.090 0.472 18987 306 1 1 . 1 1 60 60 HIS C C 60 176.309 176.309 176.611 -0.302 18987 307 1 1 . 1 1 60 60 HIS CA C 60 55.920 55.920 58.089 -2.169 18987 308 1 1 . 1 1 60 60 HIS CB C 60 30.890 30.890 29.696 1.194 18987 309 1 1 . 1 1 61 61 GLY N N 61 106.925 106.925 109.318 -2.393 18987 310 1 1 . 1 1 61 61 GLY CA C 61 45.180 45.180 45.179 0.001 18987 311 1 1 . 1 1 61 61 GLY H H 61 7.284 7.284 8.639 -1.355 18987 312 1 1 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.028 0.020 18987 313 1 1 . 1 1 63 63 LYS C C 63 177.435 177.435 178.570 -1.135 18987 314 1 1 . 1 1 63 63 LYS CA C 63 58.300 58.300 59.223 -0.923 18987 315 1 1 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.176 -1.016 18987 316 1 1 . 1 1 64 64 TYR N N 64 119.737 119.737 119.898 -0.161 18987 317 1 1 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.083 -0.427 18987 318 1 1 . 1 1 64 64 TYR C C 64 178.339 178.339 176.825 1.514 18987 319 1 1 . 1 1 64 64 TYR CA C 64 61.610 61.610 61.624 -0.014 18987 320 1 1 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.467 0.433 18987 321 1 1 . 1 1 64 64 TYR H H 64 7.644 7.644 8.472 -0.828 18987 322 1 1 . 1 1 65 65 ARG N N 65 118.236 118.236 116.050 2.186 18987 323 1 1 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.312 -0.102 18987 324 1 1 . 1 1 65 65 ARG C C 65 179.816 179.816 177.785 2.031 18987 325 1 1 . 1 1 65 65 ARG CA C 65 59.090 59.090 57.477 1.613 18987 326 1 1 . 1 1 65 65 ARG CB C 65 30.160 30.160 30.188 -0.028 18987 327 1 1 . 1 1 65 65 ARG H H 65 7.358 7.358 7.762 -0.404 18987 328 1 1 . 1 1 66 66 GLU N N 66 123.063 123.063 121.366 1.697 18987 329 1 1 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.143 -0.226 18987 330 1 1 . 1 1 66 66 GLU C C 66 178.626 178.626 178.127 0.499 18987 331 1 1 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.861 0.589 18987 332 1 1 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.692 -0.002 18987 333 1 1 . 1 1 66 66 GLU H H 66 8.789 8.789 7.678 1.111 18987 334 1 1 . 1 1 67 67 LEU N N 67 115.817 115.817 116.584 -0.767 18987 335 1 1 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.241 -0.111 18987 336 1 1 . 1 1 67 67 LEU C C 67 176.171 176.171 176.957 -0.786 18987 337 1 1 . 1 1 67 67 LEU CA C 67 54.750 54.750 55.167 -0.417 18987 338 1 1 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.592 -0.572 18987 339 1 1 . 1 1 67 67 LEU H H 67 7.907 7.907 7.839 0.068 18987 340 1 1 . 1 1 68 68 ASP N N 68 118.063 118.063 117.093 0.970 18987 341 1 1 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.310 0.104 18987 342 1 1 . 1 1 68 68 ASP C C 68 177.521 177.521 176.886 0.635 18987 343 1 1 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.653 -0.253 18987 344 1 1 . 1 1 68 68 ASP CB C 68 39.640 39.640 39.692 -0.052 18987 345 1 1 . 1 1 68 68 ASP H H 68 7.878 7.878 7.811 0.067 18987 346 1 1 . 1 1 69 69 LEU N N 69 115.724 115.724 118.557 -2.833 18987 347 1 1 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.775 -0.336 18987 348 1 1 . 1 1 69 69 LEU C C 69 177.584 177.584 177.883 -0.299 18987 349 1 1 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.017 0.463 18987 350 1 1 . 1 1 69 69 LEU CB C 69 38.700 38.700 41.185 -2.485 18987 351 1 1 . 1 1 69 69 LEU H H 69 7.285 7.285 7.710 -0.425 18987 352 1 1 . 1 1 70 70 LYS N N 70 119.751 119.751 119.220 0.531 18987 353 1 1 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.644 0.317 18987 354 1 1 . 1 1 70 70 LYS C C 70 177.903 177.903 178.133 -0.230 18987 355 1 1 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.885 0.596 18987 356 1 1 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.690 0.290 18987 357 1 1 . 1 1 70 70 LYS H H 70 8.601 8.601 7.562 1.039 18987 358 1 1 . 1 1 71 71 ASN N N 71 113.386 113.386 116.013 -2.627 18987 359 1 1 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.475 0.251 18987 360 1 1 . 1 1 71 71 ASN C C 71 176.808 176.808 176.828 -0.020 18987 361 1 1 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.594 -1.224 18987 362 1 1 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.660 1.300 18987 363 1 1 . 1 1 71 71 ASN H H 71 6.965 6.965 7.707 -0.742 18987 364 1 1 . 1 1 72 72 LYS N N 72 118.475 118.475 117.954 0.521 18987 365 1 1 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.254 -0.105 18987 366 1 1 . 1 1 72 72 LYS C C 72 178.849 178.849 178.064 0.785 18987 367 1 1 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.640 -0.720 18987 368 1 1 . 1 1 72 72 LYS CB C 72 34.030 34.030 33.049 0.981 18987 369 1 1 . 1 1 72 72 LYS H H 72 8.113 8.113 7.495 0.618 18987 370 1 1 . 1 1 73 73 LEU N N 73 120.458 120.458 120.429 0.029 18987 371 1 1 . 1 1 73 73 LEU HA H 73 3.599 3.599 3.975 -0.376 18987 372 1 1 . 1 1 73 73 LEU C C 73 178.126 178.126 178.234 -0.108 18987 373 1 1 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.149 1.681 18987 374 1 1 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.680 -0.780 18987 375 1 1 . 1 1 73 73 LEU H H 73 8.549 8.549 8.089 0.460 18987 376 1 1 . 1 1 74 74 GLN N N 74 112.719 112.719 114.820 -2.101 18987 377 1 1 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.134 0.044 18987 378 1 1 . 1 1 74 74 GLN C C 74 176.883 176.883 176.982 -0.099 18987 379 1 1 . 1 1 74 74 GLN CA C 74 57.250 57.250 57.895 -0.645 18987 380 1 1 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.194 0.236 18987 381 1 1 . 1 1 74 74 GLN H H 74 7.918 7.918 7.779 0.139 18987 382 1 1 . 1 1 75 75 THR N N 75 108.336 108.336 113.594 -5.258 18987 383 1 1 . 1 1 75 75 THR HA H 75 4.410 4.410 4.461 -0.051 18987 384 1 1 . 1 1 75 75 THR C C 75 174.619 174.619 174.804 -0.185 18987 385 1 1 . 1 1 75 75 THR CA C 75 61.760 61.760 62.376 -0.616 18987 386 1 1 . 1 1 75 75 THR CB C 75 69.950 69.950 69.784 0.166 18987 387 1 1 . 1 1 75 75 THR H H 75 7.620 7.620 7.487 0.133 18987 388 1 1 . 1 1 76 76 LEU N N 76 122.754 122.754 120.597 2.157 18987 389 1 1 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.527 -0.039 18987 390 1 1 . 1 1 76 76 LEU C C 76 177.234 177.234 176.194 1.040 18987 391 1 1 . 1 1 76 76 LEU CA C 76 54.190 54.190 54.287 -0.097 18987 392 1 1 . 1 1 76 76 LEU CB C 76 44.040 44.040 42.171 1.869 18987 393 1 1 . 1 1 76 76 LEU H H 76 7.191 7.191 7.709 -0.518 18987 394 1 1 . 1 1 77 77 SER N N 77 119.431 119.431 115.081 4.350 18987 395 1 1 . 1 1 77 77 SER HA H 77 4.465 4.465 4.525 -0.060 18987 396 1 1 . 1 1 77 77 SER C C 77 175.320 175.320 175.667 -0.347 18987 397 1 1 . 1 1 77 77 SER CA C 77 57.360 57.360 57.429 -0.069 18987 398 1 1 . 1 1 77 77 SER CB C 77 65.080 65.080 64.681 0.399 18987 399 1 1 . 1 1 77 77 SER H H 77 9.367 9.367 8.324 1.043 18987 400 1 1 . 1 1 78 78 ASP N N 78 122.766 122.766 123.421 -0.655 18987 401 1 1 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.352 -0.157 18987 402 1 1 . 1 1 78 78 ASP C C 78 178.211 178.211 177.806 0.405 18987 403 1 1 . 1 1 78 78 ASP CA C 78 58.470 58.470 58.333 0.137 18987 404 1 1 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.932 -1.472 18987 405 1 1 . 1 1 78 78 ASP H H 78 9.055 9.055 8.885 0.170 18987 406 1 1 . 1 1 79 79 ASP N N 79 117.917 117.917 119.820 -1.903 18987 407 1 1 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.340 -0.065 18987 408 1 1 . 1 1 79 79 ASP C C 79 179.179 179.179 178.051 1.128 18987 409 1 1 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.543 0.457 18987 410 1 1 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.859 -0.549 18987 411 1 1 . 1 1 79 79 ASP H H 79 8.245 8.245 8.771 -0.526 18987 412 1 1 . 1 1 80 80 GLU N N 80 120.229 120.229 118.602 1.627 18987 413 1 1 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.278 -0.361 18987 414 1 1 . 1 1 80 80 GLU C C 80 180.369 180.369 179.095 1.274 18987 415 1 1 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.747 0.553 18987 416 1 1 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.611 1.309 18987 417 1 1 . 1 1 80 80 GLU H H 80 7.732 7.732 7.687 0.045 18987 418 1 1 . 1 1 81 81 LYS N N 81 120.163 120.163 120.316 -0.153 18987 419 1 1 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.299 -0.453 18987 420 1 1 . 1 1 81 81 LYS C C 81 177.956 177.956 179.104 -1.148 18987 421 1 1 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.589 1.351 18987 422 1 1 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.517 1.103 18987 423 1 1 . 1 1 81 81 LYS H H 81 8.340 8.340 7.541 0.799 18987 424 1 1 . 1 1 82 82 LEU N N 82 117.478 117.478 119.481 -2.003 18987 425 1 1 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.597 0.076 18987 426 1 1 . 1 1 82 82 LEU C C 82 178.870 178.870 178.707 0.163 18987 427 1 1 . 1 1 82 82 LEU CA C 82 57.770 57.770 58.086 -0.316 18987 428 1 1 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.628 0.122 18987 429 1 1 . 1 1 82 82 LEU H H 82 8.161 8.161 7.809 0.352 18987 430 1 1 . 1 1 83 83 GLU N N 83 119.824 119.824 118.715 1.109 18987 431 1 1 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.990 -0.250 18987 432 1 1 . 1 1 83 83 GLU C C 83 179.009 179.009 179.364 -0.355 18987 433 1 1 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.356 0.124 18987 434 1 1 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.463 -0.123 18987 435 1 1 . 1 1 83 83 GLU H H 83 7.999 7.999 7.730 0.269 18987 436 1 1 . 1 1 84 84 LEU N N 84 119.684 119.684 120.036 -0.352 18987 437 1 1 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.999 -0.057 18987 438 1 1 . 1 1 84 84 LEU C C 84 179.264 179.264 179.093 0.171 18987 439 1 1 . 1 1 84 84 LEU CA C 84 58.090 58.090 57.860 0.230 18987 440 1 1 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.910 0.400 18987 441 1 1 . 1 1 84 84 LEU H H 84 7.470 7.470 7.782 -0.312 18987 442 1 1 . 1 1 85 85 LEU N N 85 119.086 119.086 118.393 0.693 18987 443 1 1 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.721 -0.337 18987 444 1 1 . 1 1 85 85 LEU C C 85 176.064 176.064 179.067 -3.003 18987 445 1 1 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.198 0.662 18987 446 1 1 . 1 1 85 85 LEU CB C 85 42.360 42.360 40.874 1.486 18987 447 1 1 . 1 1 85 85 LEU H H 85 7.726 7.726 7.672 0.054 18987 448 1 1 . 1 1 86 86 SER N N 86 105.708 105.708 113.290 -7.582 18987 449 1 1 . 1 1 86 86 SER HA H 86 4.283 4.283 4.753 -0.470 18987 450 1 1 . 1 1 86 86 SER C C 86 176.351 176.351 176.230 0.121 18987 451 1 1 . 1 1 86 86 SER CA C 86 60.380 60.380 60.426 -0.046 18987 452 1 1 . 1 1 86 86 SER CB C 86 64.400 64.400 63.262 1.138 18987 453 1 1 . 1 1 86 86 SER H H 86 7.617 7.617 7.851 -0.234 18987 454 1 1 . 1 1 87 87 SER N N 87 115.392 115.392 116.092 -0.700 18987 455 1 1 . 1 1 87 87 SER HA H 87 4.345 4.345 4.362 -0.017 18987 456 1 1 . 1 1 87 87 SER C C 87 174.534 174.534 174.527 0.007 18987 457 1 1 . 1 1 87 87 SER CA C 87 59.820 59.820 60.390 -0.570 18987 458 1 1 . 1 1 87 87 SER CB C 87 64.340 64.340 63.809 0.531 18987 459 1 1 . 1 1 87 87 SER H H 87 7.644 7.644 7.838 -0.194 18987 460 1 1 . 1 1 88 88 ASP N N 88 120.295 120.295 119.309 0.986 18987 461 1 1 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.744 -0.140 18987 462 1 1 . 1 1 88 88 ASP C C 88 175.618 175.618 175.954 -0.336 18987 463 1 1 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.800 0.209 18987 464 1 1 . 1 1 88 88 ASP CB C 88 41.020 41.020 43.184 -2.164 18987 465 1 1 . 1 1 88 88 ASP H H 88 7.104 7.104 7.568 -0.464 18987 466 1 1 . 1 1 89 89 GLY N N 89 111.841 111.841 111.775 0.066 18987 467 1 1 . 1 1 89 89 GLY C C 89 176.171 176.171 175.203 0.968 18987 468 1 1 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.625 1.055 18987 469 1 1 . 1 1 89 89 GLY H H 89 9.325 9.325 8.800 0.525 18987 470 1 1 . 1 1 90 90 MET N N 90 117.877 117.877 117.924 -0.047 18987 471 1 1 . 1 1 90 90 MET HA H 90 4.075 4.075 4.355 -0.280 18987 472 1 1 . 1 1 90 90 MET C C 90 178.456 178.456 178.342 0.114 18987 473 1 1 . 1 1 90 90 MET CA C 90 56.400 56.400 56.368 0.032 18987 474 1 1 . 1 1 90 90 MET CB C 90 30.540 30.540 32.361 -1.821 18987 475 1 1 . 1 1 90 90 MET H H 90 8.593 8.593 7.591 1.002 18987 476 1 1 . 1 1 91 91 LEU N N 91 118.027 118.027 118.819 -0.792 18987 477 1 1 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.221 0.058 18987 478 1 1 . 1 1 91 91 LEU C C 91 176.298 176.298 176.716 -0.418 18987 479 1 1 . 1 1 91 91 LEU CA C 91 55.460 55.460 56.180 -0.720 18987 480 1 1 . 1 1 91 91 LEU CB C 91 43.130 43.130 41.689 1.441 18987 481 1 1 . 1 1 91 91 LEU H H 91 8.224 8.224 7.916 0.308 18987 482 1 1 . 1 1 92 92 VAL N N 92 120.960 120.960 117.420 3.540 18987 483 1 1 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.212 -0.211 18987 484 1 1 . 1 1 92 92 VAL C C 92 175.990 175.990 176.231 -0.241 18987 485 1 1 . 1 1 92 92 VAL CA C 92 61.150 61.150 61.870 -0.719 18987 486 1 1 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.651 -0.381 18987 487 1 1 . 1 1 92 92 VAL H H 92 7.093 7.093 7.150 -0.057 18987 488 1 1 . 1 1 93 93 LYS N N 93 130.687 130.687 124.897 5.790 18987 489 1 1 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.181 -0.475 18987 490 1 1 . 1 1 93 93 LYS C C 93 171.855 171.855 177.031 -5.176 18987 491 1 1 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.231 1.689 18987 492 1 1 . 1 1 93 93 LYS CB C 93 32.800 32.800 31.336 1.464 18987 493 1 1 . 1 1 93 93 LYS H H 93 8.442 8.442 8.121 0.321 18987 494 1 1 . 1 1 94 94 ARG N N 94 115.791 115.791 123.772 -7.981 18987 495 1 1 . 1 1 94 94 ARG H H 94 7.676 7.676 8.343 -0.667 18987 496 1 1 . 1 1 95 95 PRO C C 95 175.108 175.108 175.451 -0.343 18987 497 1 1 . 1 1 96 96 LEU N N 96 128.494 128.494 126.246 2.248 18987 498 1 1 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.436 -0.455 18987 499 1 1 . 1 1 96 96 LEU C C 96 173.216 173.216 174.263 -1.047 18987 500 1 1 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.626 1.244 18987 501 1 1 . 1 1 96 96 LEU CB C 96 43.660 43.660 46.904 -3.244 18987 502 1 1 . 1 1 96 96 LEU H H 96 8.246 8.246 8.520 -0.273 18987 503 1 1 . 1 1 97 97 ALA N N 97 131.035 131.035 127.213 3.822 18987 504 1 1 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.431 0.439 18987 505 1 1 . 1 1 97 97 ALA C C 97 174.938 174.938 175.111 -0.173 18987 506 1 1 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.333 -1.483 18987 507 1 1 . 1 1 97 97 ALA CB C 97 20.070 20.070 21.798 -1.728 18987 508 1 1 . 1 1 97 97 ALA H H 97 8.839 8.839 8.979 -0.140 18987 509 1 1 . 1 1 98 98 VAL N N 98 119.830 119.830 124.731 -4.901 18987 510 1 1 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.322 0.234 18987 511 1 1 . 1 1 98 98 VAL C C 98 173.896 173.896 173.750 0.146 18987 512 1 1 . 1 1 98 98 VAL CA C 98 59.270 59.270 59.624 -0.354 18987 513 1 1 . 1 1 98 98 VAL CB C 98 35.970 35.970 35.720 0.250 18987 514 1 1 . 1 1 98 98 VAL H H 98 8.824 8.824 8.921 -0.097 18987 515 1 1 . 1 1 99 99 MET N N 99 127.537 127.537 127.412 0.125 18987 516 1 1 . 1 1 99 99 MET HA H 99 4.430 4.430 4.958 -0.528 18987 517 1 1 . 1 1 99 99 MET CA C 99 56.710 56.710 54.488 2.222 18987 518 1 1 . 1 1 99 99 MET CB C 99 31.050 31.050 33.021 -1.971 18987 519 1 1 . 1 1 99 99 MET H H 99 8.873 8.873 9.223 -0.350 18987 520 1 1 . 1 1 100 100 GLY C C 100 173.024 173.024 174.505 -1.481 18987 521 1 1 . 1 1 100 100 GLY CA C 100 47.970 47.970 47.180 0.790 18987 522 1 1 . 1 1 101 101 ASP N N 101 124.308 124.308 124.420 -0.112 18987 523 1 1 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.695 -0.496 18987 524 1 1 . 1 1 101 101 ASP C C 101 175.172 175.172 176.088 -0.916 18987 525 1 1 . 1 1 101 101 ASP CA C 101 53.310 53.310 53.477 -0.167 18987 526 1 1 . 1 1 101 101 ASP CB C 101 40.170 40.170 40.990 -0.820 18987 527 1 1 . 1 1 101 101 ASP H H 101 8.257 8.257 8.342 -0.085 18987 528 1 1 . 1 1 102 102 LYS N N 102 121.002 121.002 119.883 1.119 18987 529 1 1 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.734 -0.328 18987 530 1 1 . 1 1 102 102 LYS C C 102 174.257 174.257 174.017 0.240 18987 531 1 1 . 1 1 102 102 LYS CA C 102 55.370 55.370 55.008 0.361 18987 532 1 1 . 1 1 102 102 LYS CB C 102 36.230 36.230 35.446 0.784 18987 533 1 1 . 1 1 102 102 LYS H H 102 8.108 8.108 8.041 0.067 18987 534 1 1 . 1 1 103 103 ILE N N 103 118.488 118.488 122.101 -3.613 18987 535 1 1 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.343 0.516 18987 536 1 1 . 1 1 103 103 ILE C C 103 173.652 173.652 174.308 -0.656 18987 537 1 1 . 1 1 103 103 ILE CA C 103 58.620 58.620 59.750 -1.130 18987 538 1 1 . 1 1 103 103 ILE CB C 103 42.250 42.250 42.323 -0.073 18987 539 1 1 . 1 1 103 103 ILE H H 103 8.038 8.038 8.241 -0.203 18987 540 1 1 . 1 1 104 104 THR N N 104 115.441 115.441 118.587 -3.146 18987 541 1 1 . 1 1 104 104 THR HA H 104 4.524 4.524 4.694 -0.170 18987 542 1 1 . 1 1 104 104 THR C C 104 173.503 173.503 172.787 0.716 18987 543 1 1 . 1 1 104 104 THR CA C 104 60.660 60.660 60.685 -0.025 18987 544 1 1 . 1 1 104 104 THR CB C 104 72.460 72.460 71.653 0.807 18987 545 1 1 . 1 1 104 104 THR H H 104 9.360 9.360 9.141 0.219 18987 546 1 1 . 1 1 105 105 LEU N N 105 123.352 123.352 127.062 -3.710 18987 547 1 1 . 1 1 105 105 LEU HA H 105 5.023 5.023 4.863 0.160 18987 548 1 1 . 1 1 105 105 LEU C C 105 178.860 178.860 178.403 0.457 18987 549 1 1 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.533 -1.493 18987 550 1 1 . 1 1 105 105 LEU CB C 105 44.290 44.290 42.990 1.300 18987 551 1 1 . 1 1 105 105 LEU H H 105 8.857 8.857 8.604 0.253 18987 552 1 1 . 1 1 106 106 GLY N N 106 108.363 108.363 113.811 -5.448 18987 553 1 1 . 1 1 106 106 GLY C C 106 172.100 172.100 173.021 -0.921 18987 554 1 1 . 1 1 106 106 GLY CA C 106 44.870 44.870 45.097 -0.227 18987 555 1 1 . 1 1 106 106 GLY H H 106 8.241 8.241 8.579 -0.338 18987 556 1 1 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.920 -0.232 18987 557 1 1 . 1 1 107 107 PHE CA C 107 58.000 58.000 56.044 1.956 18987 558 1 1 . 1 1 107 107 PHE CB C 107 41.620 41.620 39.103 2.517 18987 559 1 1 . 1 1 108 108 LYS N N 108 129.677 129.677 128.367 1.310 18987 560 1 1 . 1 1 108 108 LYS HA H 108 3.902 3.902 3.853 0.049 18987 561 1 1 . 1 1 108 108 LYS CA C 108 54.650 54.650 54.691 -0.042 18987 562 1 1 . 1 1 108 108 LYS CB C 108 34.130 34.130 34.752 -0.622 18987 563 1 1 . 1 1 108 108 LYS H H 108 7.351 7.351 7.490 -0.139 18987 564 1 1 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.351 -0.391 18987 565 1 1 . 1 1 109 109 GLU C C 109 177.255 177.255 177.527 -0.272 18987 566 1 1 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.361 1.479 18987 567 1 1 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.595 -0.295 18987 568 1 1 . 1 1 110 110 ASP N N 110 115.831 115.831 118.777 -2.946 18987 569 1 1 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.253 -0.096 18987 570 1 1 . 1 1 110 110 ASP C C 110 178.456 178.456 178.417 0.039 18987 571 1 1 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.482 -0.572 18987 572 1 1 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.287 -1.077 18987 573 1 1 . 1 1 110 110 ASP H H 110 8.654 8.654 8.132 0.522 18987 574 1 1 . 1 1 111 111 GLN N N 111 119.458 119.458 116.935 2.523 18987 575 1 1 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.905 0.176 18987 576 1 1 . 1 1 111 111 GLN C C 111 179.189 179.189 178.409 0.780 18987 577 1 1 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.374 -0.234 18987 578 1 1 . 1 1 111 111 GLN CB C 111 28.850 28.850 28.034 0.817 18987 579 1 1 . 1 1 111 111 GLN H H 111 6.993 6.993 8.231 -1.238 18987 580 1 1 . 1 1 112 112 TYR N N 112 124.973 124.973 118.947 6.026 18987 581 1 1 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.056 -0.129 18987 582 1 1 . 1 1 112 112 TYR C C 112 178.254 178.254 177.835 0.419 18987 583 1 1 . 1 1 112 112 TYR CA C 112 62.690 62.690 59.835 2.855 18987 584 1 1 . 1 1 112 112 TYR CB C 112 36.660 36.660 37.536 -0.876 18987 585 1 1 . 1 1 112 112 TYR H H 112 8.289 8.289 7.729 0.560 18987 586 1 1 . 1 1 113 113 LYS N N 113 118.329 118.329 119.184 -0.855 18987 587 1 1 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.151 -0.238 18987 588 1 1 . 1 1 113 113 LYS C C 113 178.296 178.296 178.225 0.071 18987 589 1 1 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.736 1.344 18987 590 1 1 . 1 1 113 113 LYS CB C 113 32.810 32.810 31.929 0.881 18987 591 1 1 . 1 1 113 113 LYS H H 113 8.310 8.310 8.061 0.249 18987 592 1 1 . 1 1 114 114 GLU N N 114 115.605 115.605 118.856 -3.251 18987 593 1 1 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.174 -0.278 18987 594 1 1 . 1 1 114 114 GLU C C 114 177.308 177.308 177.514 -0.206 18987 595 1 1 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.708 -0.398 18987 596 1 1 . 1 1 114 114 GLU CB C 114 30.140 30.140 29.898 0.242 18987 597 1 1 . 1 1 114 114 GLU H H 114 7.603 7.603 7.819 -0.216 18987 598 1 1 . 1 1 115 115 THR N N 115 112.256 112.256 113.113 -0.857 18987 599 1 1 . 1 1 115 115 THR HA H 115 3.666 3.666 4.187 -0.521 18987 600 1 1 . 1 1 115 115 THR C C 115 174.672 174.672 175.648 -0.976 18987 601 1 1 . 1 1 115 115 THR CA C 115 65.710 65.710 64.112 1.598 18987 602 1 1 . 1 1 115 115 THR CB C 115 68.700 68.700 69.317 -0.617 18987 603 1 1 . 1 1 115 115 THR H H 115 7.591 7.591 7.617 -0.026 18987 604 1 1 . 1 1 116 116 TRP N N 116 116.495 116.495 121.421 -4.926 18987 605 1 1 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.599 0.704 18987 606 1 1 . 1 1 116 116 TRP C C 116 176.553 176.553 176.647 -0.094 18987 607 1 1 . 1 1 116 116 TRP CA C 116 55.620 55.620 57.682 -2.062 18987 608 1 1 . 1 1 116 116 TRP CB C 116 31.430 31.430 30.237 1.193 18987 609 1 1 . 1 1 116 116 TRP H H 116 7.661 7.661 7.651 0.010 18987 610 1 1 . 1 1 117 117 LEU N N 117 116.588 116.588 119.112 -2.524 18987 611 1 1 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.477 0.125 18987 612 1 1 . 1 1 117 117 LEU C C 117 175.788 175.788 177.819 -2.031 18987 613 1 1 . 1 1 117 117 LEU CA C 117 53.860 53.860 54.222 -0.362 18987 614 1 1 . 1 1 117 117 LEU CB C 117 40.880 40.880 42.225 -1.345 18987 615 1 1 . 1 1 117 117 LEU H H 117 6.922 6.922 7.725 -0.803 18987 616 1 2 . 1 1 2 2 ILE N N 2 124.348 124.348 122.388 1.960 18987 617 1 2 . 1 1 2 2 ILE HA H 2 3.576 3.576 3.694 -0.118 18987 618 1 2 . 1 1 2 2 ILE C C 2 175.884 175.884 176.156 -0.272 18987 619 1 2 . 1 1 2 2 ILE CA C 2 62.790 62.790 62.107 0.683 18987 620 1 2 . 1 1 2 2 ILE CB C 2 40.400 40.400 36.583 3.817 18987 621 1 2 . 1 1 2 2 ILE H H 2 7.539 7.539 8.058 -0.519 18987 622 1 2 . 1 1 3 3 LYS N N 3 128.600 128.600 128.160 0.440 18987 623 1 2 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.029 0.306 18987 624 1 2 . 1 1 3 3 LYS C C 3 173.322 173.322 175.867 -2.545 18987 625 1 2 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.941 1.689 18987 626 1 2 . 1 1 3 3 LYS CB C 3 32.800 32.800 30.331 2.469 18987 627 1 2 . 1 1 3 3 LYS H H 3 8.524 8.524 8.364 0.160 18987 628 1 2 . 1 1 4 4 PHE N N 4 128.560 128.560 127.143 1.417 18987 629 1 2 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.696 0.139 18987 630 1 2 . 1 1 4 4 PHE C C 4 172.546 172.546 173.929 -1.383 18987 631 1 2 . 1 1 4 4 PHE CA C 4 56.570 56.570 55.554 1.016 18987 632 1 2 . 1 1 4 4 PHE CB C 4 42.600 42.600 38.556 4.045 18987 633 1 2 . 1 1 4 4 PHE H H 4 8.412 8.412 7.921 0.491 18987 634 1 2 . 1 1 5 5 TYR N N 5 125.785 125.785 126.938 -1.153 18987 635 1 2 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.145 -0.019 18987 636 1 2 . 1 1 5 5 TYR C C 5 175.852 175.852 175.253 0.599 18987 637 1 2 . 1 1 5 5 TYR CA C 5 57.980 57.980 58.241 -0.261 18987 638 1 2 . 1 1 5 5 TYR CB C 5 38.550 38.550 39.066 -0.516 18987 639 1 2 . 1 1 5 5 TYR H H 5 9.313 9.313 8.440 0.873 18987 640 1 2 . 1 1 6 6 GLN N N 6 117.436 117.436 119.853 -2.417 18987 641 1 2 . 1 1 6 6 GLN HA H 6 4.622 4.622 5.067 -0.445 18987 642 1 2 . 1 1 6 6 GLN C C 6 171.951 171.951 173.795 -1.844 18987 643 1 2 . 1 1 6 6 GLN CA C 6 53.430 53.430 53.932 -0.502 18987 644 1 2 . 1 1 6 6 GLN CB C 6 30.490 30.490 31.704 -1.214 18987 645 1 2 . 1 1 6 6 GLN H H 6 9.110 9.110 8.774 0.336 18987 646 1 2 . 1 1 7 7 TYR N N 7 116.309 116.309 120.942 -4.633 18987 647 1 2 . 1 1 7 7 TYR HA H 7 4.953 4.953 5.086 -0.133 18987 648 1 2 . 1 1 7 7 TYR CA C 7 56.130 56.130 57.865 -1.735 18987 649 1 2 . 1 1 7 7 TYR CB C 7 42.860 42.860 39.551 3.309 18987 650 1 2 . 1 1 7 7 TYR H H 7 7.075 7.075 8.438 -1.363 18987 651 1 2 . 1 1 12 12 THR HA H 12 3.868 3.868 3.864 0.004 18987 652 1 2 . 1 1 12 12 THR C C 12 176.203 176.203 175.521 0.682 18987 653 1 2 . 1 1 12 12 THR CA C 12 65.930 65.930 65.494 0.436 18987 654 1 2 . 1 1 12 12 THR CB C 12 68.630 68.630 69.305 -0.675 18987 655 1 2 . 1 1 13 13 CYS N N 13 116.721 116.721 120.945 -4.224 18987 656 1 2 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.192 0.039 18987 657 1 2 . 1 1 13 13 CYS C C 13 174.938 174.938 176.326 -1.388 18987 658 1 2 . 1 1 13 13 CYS CA C 13 63.790 63.790 62.942 0.848 18987 659 1 2 . 1 1 13 13 CYS CB C 13 33.590 33.590 27.868 5.722 18987 660 1 2 . 1 1 13 13 CYS H H 13 8.441 8.441 8.419 0.022 18987 661 1 2 . 1 1 14 14 LYS N N 14 119.429 119.429 118.911 0.518 18987 662 1 2 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.116 -0.079 18987 663 1 2 . 1 1 14 14 LYS C C 14 179.370 179.370 179.151 0.219 18987 664 1 2 . 1 1 14 14 LYS CA C 14 59.150 59.150 58.838 0.312 18987 665 1 2 . 1 1 14 14 LYS CB C 14 32.270 32.270 31.879 0.391 18987 666 1 2 . 1 1 14 14 LYS H H 14 7.805 7.805 7.709 0.096 18987 667 1 2 . 1 1 15 15 LYS N N 15 119.379 119.379 119.788 -0.409 18987 668 1 2 . 1 1 15 15 LYS HA H 15 3.677 3.677 4.207 -0.530 18987 669 1 2 . 1 1 15 15 LYS C C 15 177.999 177.999 178.983 -0.984 18987 670 1 2 . 1 1 15 15 LYS CA C 15 59.270 59.270 59.231 0.039 18987 671 1 2 . 1 1 15 15 LYS CB C 15 32.630 32.630 32.421 0.209 18987 672 1 2 . 1 1 15 15 LYS H H 15 7.612 7.612 7.564 0.048 18987 673 1 2 . 1 1 16 16 ALA N N 16 122.940 122.940 121.989 0.951 18987 674 1 2 . 1 1 16 16 ALA HA H 16 2.906 2.906 4.212 -1.306 18987 675 1 2 . 1 1 16 16 ALA C C 16 177.999 177.999 179.240 -1.241 18987 676 1 2 . 1 1 16 16 ALA CA C 16 54.370 54.370 55.067 -0.697 18987 677 1 2 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.263 1.007 18987 678 1 2 . 1 1 16 16 ALA H H 16 7.346 7.346 8.224 -0.878 18987 679 1 2 . 1 1 17 17 ALA N N 17 120.093 120.093 120.337 -0.244 18987 680 1 2 . 1 1 17 17 ALA HA H 17 2.965 2.965 2.922 0.043 18987 681 1 2 . 1 1 17 17 ALA C C 17 178.466 178.466 178.753 -0.287 18987 682 1 2 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.529 0.341 18987 683 1 2 . 1 1 17 17 ALA CB C 17 17.270 17.270 18.080 -0.810 18987 684 1 2 . 1 1 17 17 ALA H H 17 7.959 7.959 8.067 -0.108 18987 685 1 2 . 1 1 18 18 LYS N N 18 115.894 115.894 119.714 -3.820 18987 686 1 2 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.054 -0.089 18987 687 1 2 . 1 1 18 18 LYS C C 18 178.647 178.647 178.552 0.095 18987 688 1 2 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.953 -0.043 18987 689 1 2 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.136 0.044 18987 690 1 2 . 1 1 18 18 LYS H H 18 7.565 7.565 7.741 -0.176 18987 691 1 2 . 1 1 19 19 PHE N N 19 120.854 120.854 120.701 0.153 18987 692 1 2 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.277 -0.038 18987 693 1 2 . 1 1 19 19 PHE C C 19 176.925 176.925 177.678 -0.753 18987 694 1 2 . 1 1 19 19 PHE CA C 19 61.730 61.730 61.100 0.630 18987 695 1 2 . 1 1 19 19 PHE CB C 19 39.140 39.140 38.822 0.319 18987 696 1 2 . 1 1 19 19 PHE H H 19 7.496 7.496 8.034 -0.538 18987 697 1 2 . 1 1 20 20 LEU N N 20 118.913 118.913 117.952 0.961 18987 698 1 2 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.595 0.303 18987 699 1 2 . 1 1 20 20 LEU C C 20 179.657 179.657 178.333 1.324 18987 700 1 2 . 1 1 20 20 LEU CA C 20 58.330 58.330 57.455 0.876 18987 701 1 2 . 1 1 20 20 LEU CB C 20 40.460 40.460 40.962 -0.502 18987 702 1 2 . 1 1 20 20 LEU H H 20 8.012 8.012 7.677 0.335 18987 703 1 2 . 1 1 21 21 ASP N N 21 118.448 118.448 119.209 -0.761 18987 704 1 2 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.492 -0.036 18987 705 1 2 . 1 1 21 21 ASP C C 21 180.358 180.358 178.374 1.984 18987 706 1 2 . 1 1 21 21 ASP CA C 21 57.680 57.680 57.387 0.293 18987 707 1 2 . 1 1 21 21 ASP CB C 21 40.520 40.520 41.136 -0.616 18987 708 1 2 . 1 1 21 21 ASP H H 21 8.814 8.814 7.987 0.827 18987 709 1 2 . 1 1 22 22 GLU N N 22 122.661 122.661 118.969 3.692 18987 710 1 2 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.095 -0.353 18987 711 1 2 . 1 1 22 22 GLU C C 22 178.371 178.371 178.340 0.031 18987 712 1 2 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.700 0.541 18987 713 1 2 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.838 -1.058 18987 714 1 2 . 1 1 22 22 GLU H H 22 8.544 8.544 7.849 0.695 18987 715 1 2 . 1 1 23 23 TYR N N 23 114.768 114.768 116.613 -1.845 18987 716 1 2 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.398 -0.148 18987 717 1 2 . 1 1 23 23 TYR C C 23 175.724 175.724 175.670 0.054 18987 718 1 2 . 1 1 23 23 TYR CA C 23 59.070 59.070 58.335 0.735 18987 719 1 2 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.550 0.470 18987 720 1 2 . 1 1 23 23 TYR H H 23 7.522 7.522 7.872 -0.350 18987 721 1 2 . 1 1 24 24 GLY N N 24 110.449 110.449 108.657 1.792 18987 722 1 2 . 1 1 24 24 GLY C C 24 174.534 174.534 174.566 -0.032 18987 723 1 2 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.438 1.682 18987 724 1 2 . 1 1 24 24 GLY H H 24 7.792 7.792 7.354 0.438 18987 725 1 2 . 1 1 25 25 VAL N N 25 122.714 122.714 120.035 2.679 18987 726 1 2 . 1 1 25 25 VAL HA H 25 3.959 3.959 4.142 -0.183 18987 727 1 2 . 1 1 25 25 VAL C C 25 176.266 176.266 176.057 0.209 18987 728 1 2 . 1 1 25 25 VAL CA C 25 62.000 62.000 61.578 0.423 18987 729 1 2 . 1 1 25 25 VAL CB C 25 32.480 32.480 32.775 -0.295 18987 730 1 2 . 1 1 25 25 VAL H H 25 8.393 8.393 7.925 0.468 18987 731 1 2 . 1 1 26 26 SER N N 26 123.498 123.498 124.583 -1.085 18987 732 1 2 . 1 1 26 26 SER HA H 26 4.351 4.351 4.390 -0.039 18987 733 1 2 . 1 1 26 26 SER C C 26 173.513 173.513 173.436 0.077 18987 734 1 2 . 1 1 26 26 SER CA C 26 59.040 59.040 58.941 0.099 18987 735 1 2 . 1 1 26 26 SER CB C 26 63.530 63.530 62.375 1.155 18987 736 1 2 . 1 1 26 26 SER H H 26 8.559 8.559 8.695 -0.136 18987 737 1 2 . 1 1 27 27 TYR N N 27 119.756 119.756 121.813 -2.057 18987 738 1 2 . 1 1 27 27 TYR HA H 27 4.983 4.983 4.879 0.104 18987 739 1 2 . 1 1 27 27 TYR C C 27 172.355 172.355 174.630 -2.275 18987 740 1 2 . 1 1 27 27 TYR CA C 27 55.750 55.750 54.639 1.111 18987 741 1 2 . 1 1 27 27 TYR CB C 27 40.730 40.730 40.812 -0.082 18987 742 1 2 . 1 1 27 27 TYR H H 27 7.838 7.838 7.876 -0.038 18987 743 1 2 . 1 1 28 28 GLU N N 28 123.126 123.126 120.702 2.424 18987 744 1 2 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.674 0.054 18987 745 1 2 . 1 1 28 28 GLU CA C 28 51.420 51.420 52.140 -0.720 18987 746 1 2 . 1 1 28 28 GLU CB C 28 31.790 31.790 30.965 0.825 18987 747 1 2 . 1 1 28 28 GLU H H 28 9.006 9.006 8.823 0.183 18987 748 1 2 . 1 1 29 29 PRO HA H 29 5.619 5.619 4.977 0.642 18987 749 1 2 . 1 1 29 29 PRO C C 29 177.276 177.276 176.130 1.146 18987 750 1 2 . 1 1 29 29 PRO CA C 29 61.820 61.820 62.698 -0.878 18987 751 1 2 . 1 1 29 29 PRO CB C 29 31.890 31.890 30.945 0.945 18987 752 1 2 . 1 1 30 30 ILE N N 30 127.043 127.043 118.315 8.728 18987 753 1 2 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.262 -0.158 18987 754 1 2 . 1 1 30 30 ILE C C 30 174.948 174.948 174.300 0.648 18987 755 1 2 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.380 1.980 18987 756 1 2 . 1 1 30 30 ILE CB C 30 42.210 42.210 40.350 1.860 18987 757 1 2 . 1 1 30 30 ILE H H 30 9.148 9.148 8.007 1.141 18987 758 1 2 . 1 1 31 31 ASP N N 31 128.946 128.946 122.654 6.292 18987 759 1 2 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.326 -0.434 18987 760 1 2 . 1 1 31 31 ASP C C 31 176.373 176.373 177.489 -1.116 18987 761 1 2 . 1 1 31 31 ASP CA C 31 54.600 54.600 55.844 -1.244 18987 762 1 2 . 1 1 31 31 ASP CB C 31 42.920 42.920 42.192 0.728 18987 763 1 2 . 1 1 31 31 ASP H H 31 9.092 9.092 8.648 0.444 18987 764 1 2 . 1 1 32 32 ILE N N 32 127.576 127.576 126.553 1.023 18987 765 1 2 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.239 -0.147 18987 766 1 2 . 1 1 32 32 ILE C C 32 174.013 174.013 176.507 -2.494 18987 767 1 2 . 1 1 32 32 ILE CA C 32 62.520 62.520 63.036 -0.516 18987 768 1 2 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.902 1.848 18987 769 1 2 . 1 1 32 32 ILE H H 32 9.362 9.362 8.876 0.486 18987 770 1 2 . 1 1 33 33 VAL N N 33 123.498 123.498 118.858 4.640 18987 771 1 2 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.878 -0.235 18987 772 1 2 . 1 1 33 33 VAL C C 33 176.819 176.819 177.680 -0.861 18987 773 1 2 . 1 1 33 33 VAL CA C 33 65.050 65.050 64.152 0.898 18987 774 1 2 . 1 1 33 33 VAL CB C 33 31.970 31.970 31.301 0.669 18987 775 1 2 . 1 1 33 33 VAL H H 33 8.445 8.445 8.190 0.255 18987 776 1 2 . 1 1 34 34 GLN N N 34 119.897 119.897 118.897 1.000 18987 777 1 2 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.146 -0.193 18987 778 1 2 . 1 1 34 34 GLN C C 34 176.734 176.734 176.586 0.148 18987 779 1 2 . 1 1 34 34 GLN CA C 34 57.540 57.540 58.139 -0.599 18987 780 1 2 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.080 0.780 18987 781 1 2 . 1 1 34 34 GLN H H 34 8.650 8.650 8.491 0.159 18987 782 1 2 . 1 1 35 35 HIS N N 35 118.090 118.090 119.335 -1.245 18987 783 1 2 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.849 0.115 18987 784 1 2 . 1 1 35 35 HIS C C 35 173.758 173.758 174.052 -0.294 18987 785 1 2 . 1 1 35 35 HIS CA C 35 53.660 53.660 54.124 -0.464 18987 786 1 2 . 1 1 35 35 HIS CB C 35 29.190 29.190 29.592 -0.402 18987 787 1 2 . 1 1 35 35 HIS H H 35 8.178 8.178 7.836 0.342 18987 788 1 2 . 1 1 36 36 THR N N 36 118.794 118.794 118.692 0.102 18987 789 1 2 . 1 1 36 36 THR HA H 36 4.142 4.142 4.657 -0.515 18987 790 1 2 . 1 1 36 36 THR CA C 36 62.080 62.080 60.853 1.227 18987 791 1 2 . 1 1 36 36 THR CB C 36 70.180 70.180 68.950 1.230 18987 792 1 2 . 1 1 36 36 THR H H 36 7.468 7.468 7.858 -0.390 18987 793 1 2 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.453 -0.178 18987 794 1 2 . 1 1 37 37 PRO C C 37 174.970 174.970 176.046 -1.076 18987 795 1 2 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.400 0.570 18987 796 1 2 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.718 -2.288 18987 797 1 2 . 1 1 38 38 THR N N 38 111.512 111.512 113.675 -2.163 18987 798 1 2 . 1 1 38 38 THR HA H 38 4.298 4.298 4.402 -0.104 18987 799 1 2 . 1 1 38 38 THR C C 38 175.756 175.756 176.386 -0.630 18987 800 1 2 . 1 1 38 38 THR CA C 38 60.700 60.700 61.547 -0.847 18987 801 1 2 . 1 1 38 38 THR CB C 38 71.560 71.560 70.038 1.522 18987 802 1 2 . 1 1 38 38 THR H H 38 8.220 8.220 7.920 0.300 18987 803 1 2 . 1 1 39 39 ILE N N 39 119.950 119.950 120.829 -0.879 18987 804 1 2 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.833 -0.156 18987 805 1 2 . 1 1 39 39 ILE C C 39 177.871 177.871 178.001 -0.130 18987 806 1 2 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.225 1.875 18987 807 1 2 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.752 0.388 18987 808 1 2 . 1 1 39 39 ILE H H 39 8.763 8.763 8.620 0.143 18987 809 1 2 . 1 1 40 40 ASN N N 40 116.189 116.189 117.536 -1.347 18987 810 1 2 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.447 -0.098 18987 811 1 2 . 1 1 40 40 ASN C C 40 178.445 178.445 177.752 0.693 18987 812 1 2 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.458 -0.128 18987 813 1 2 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.992 -0.052 18987 814 1 2 . 1 1 40 40 ASN H H 40 8.180 8.180 7.960 0.220 18987 815 1 2 . 1 1 41 41 GLU N N 41 121.970 121.970 120.596 1.374 18987 816 1 2 . 1 1 41 41 GLU HA H 41 3.915 3.915 4.098 -0.183 18987 817 1 2 . 1 1 41 41 GLU C C 41 180.093 180.093 178.856 1.237 18987 818 1 2 . 1 1 41 41 GLU CA C 41 59.590 59.590 58.857 0.733 18987 819 1 2 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.057 0.693 18987 820 1 2 . 1 1 41 41 GLU H H 41 7.782 7.782 7.916 -0.134 18987 821 1 2 . 1 1 42 42 PHE N N 42 118.929 118.929 119.420 -0.491 18987 822 1 2 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.147 0.023 18987 823 1 2 . 1 1 42 42 PHE C C 42 178.488 178.488 177.475 1.013 18987 824 1 2 . 1 1 42 42 PHE CA C 42 63.020 63.020 61.899 1.121 18987 825 1 2 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.657 0.573 18987 826 1 2 . 1 1 42 42 PHE H H 42 8.776 8.776 8.420 0.356 18987 827 1 2 . 1 1 43 43 LYS N N 43 118.820 118.820 118.008 0.812 18987 828 1 2 . 1 1 43 43 LYS HA H 43 3.795 3.795 3.972 -0.177 18987 829 1 2 . 1 1 43 43 LYS C C 43 179.816 179.816 178.957 0.859 18987 830 1 2 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.782 1.368 18987 831 1 2 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.839 0.401 18987 832 1 2 . 1 1 43 43 LYS H H 43 8.775 8.775 8.221 0.554 18987 833 1 2 . 1 1 44 44 THR N N 44 118.754 118.754 117.734 1.020 18987 834 1 2 . 1 1 44 44 THR HA H 44 3.894 3.894 4.053 -0.159 18987 835 1 2 . 1 1 44 44 THR C C 44 175.214 175.214 176.512 -1.298 18987 836 1 2 . 1 1 44 44 THR CA C 44 66.900 66.900 66.825 0.075 18987 837 1 2 . 1 1 44 44 THR CB C 44 68.920 68.920 68.927 -0.007 18987 838 1 2 . 1 1 44 44 THR H H 44 7.959 7.959 7.929 0.030 18987 839 1 2 . 1 1 45 45 ILE N N 45 122.671 122.671 120.092 2.579 18987 840 1 2 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.819 -0.012 18987 841 1 2 . 1 1 45 45 ILE C C 45 180.273 180.273 177.727 2.546 18987 842 1 2 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.979 1.071 18987 843 1 2 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.489 1.260 18987 844 1 2 . 1 1 45 45 ILE H H 45 8.100 8.100 7.770 0.330 18987 845 1 2 . 1 1 46 46 ILE N N 46 123.392 123.392 121.040 2.352 18987 846 1 2 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.977 -0.452 18987 847 1 2 . 1 1 46 46 ILE C C 46 178.509 178.509 178.633 -0.124 18987 848 1 2 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.685 1.125 18987 849 1 2 . 1 1 46 46 ILE CB C 46 38.110 38.110 37.829 0.281 18987 850 1 2 . 1 1 46 46 ILE H H 46 8.778 8.778 8.318 0.460 18987 851 1 2 . 1 1 47 47 ALA N N 47 123.336 123.336 122.928 0.408 18987 852 1 2 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.059 -0.011 18987 853 1 2 . 1 1 47 47 ALA C C 47 180.114 180.114 178.999 1.115 18987 854 1 2 . 1 1 47 47 ALA CA C 47 54.900 54.900 55.087 -0.187 18987 855 1 2 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.225 0.105 18987 856 1 2 . 1 1 47 47 ALA H H 47 8.232 8.232 7.769 0.463 18987 857 1 2 . 1 1 48 48 ASN N N 48 114.090 114.090 115.933 -1.843 18987 858 1 2 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.707 -0.217 18987 859 1 2 . 1 1 48 48 ASN C C 48 177.776 177.776 178.436 -0.660 18987 860 1 2 . 1 1 48 48 ASN CA C 48 55.070 55.070 55.660 -0.590 18987 861 1 2 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.282 -0.612 18987 862 1 2 . 1 1 48 48 ASN H H 48 8.464 8.464 7.955 0.509 18987 863 1 2 . 1 1 49 49 THR N N 49 106.742 106.742 110.654 -3.912 18987 864 1 2 . 1 1 49 49 THR HA H 49 4.471 4.471 4.453 0.018 18987 865 1 2 . 1 1 49 49 THR C C 49 176.968 176.968 176.077 0.891 18987 866 1 2 . 1 1 49 49 THR CA C 49 62.550 62.550 63.771 -1.221 18987 867 1 2 . 1 1 49 49 THR CB C 49 72.150 72.150 70.019 2.131 18987 868 1 2 . 1 1 49 49 THR H H 49 8.035 8.035 8.248 -0.213 18987 869 1 2 . 1 1 50 50 GLY N N 50 112.246 112.246 111.606 0.640 18987 870 1 2 . 1 1 50 50 GLY C C 50 174.055 174.055 174.468 -0.413 18987 871 1 2 . 1 1 50 50 GLY CA C 50 45.940 45.940 45.259 0.681 18987 872 1 2 . 1 1 50 50 GLY H H 50 8.323 8.323 7.880 0.443 18987 873 1 2 . 1 1 51 51 VAL N N 51 121.212 121.212 119.101 2.111 18987 874 1 2 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.129 -0.254 18987 875 1 2 . 1 1 51 51 VAL C C 51 173.120 173.120 175.500 -2.380 18987 876 1 2 . 1 1 51 51 VAL CA C 51 61.380 61.380 61.424 -0.044 18987 877 1 2 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.214 -1.324 18987 878 1 2 . 1 1 51 51 VAL H H 51 7.429 7.429 7.459 -0.030 18987 879 1 2 . 1 1 52 52 GLU N N 52 126.158 126.158 126.257 -0.099 18987 880 1 2 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.268 -0.159 18987 881 1 2 . 1 1 52 52 GLU C C 52 178.190 178.190 176.841 1.349 18987 882 1 2 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.951 -0.711 18987 883 1 2 . 1 1 52 52 GLU CB C 52 30.190 30.190 29.803 0.387 18987 884 1 2 . 1 1 52 52 GLU H H 52 7.881 7.881 8.538 -0.657 18987 885 1 2 . 1 1 53 53 ILE N N 53 125.807 125.807 124.205 1.602 18987 886 1 2 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.828 -0.404 18987 887 1 2 . 1 1 53 53 ILE C C 53 177.425 177.425 176.192 1.233 18987 888 1 2 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.527 2.253 18987 889 1 2 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.026 -0.066 18987 890 1 2 . 1 1 53 53 ILE H H 53 8.430 8.430 8.671 -0.241 18987 891 1 2 . 1 1 54 54 ASN N N 54 116.588 116.588 117.024 -0.436 18987 892 1 2 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.758 -0.302 18987 893 1 2 . 1 1 54 54 ASN C C 54 178.807 178.807 177.023 1.784 18987 894 1 2 . 1 1 54 54 ASN CA C 54 55.770 55.770 55.743 0.027 18987 895 1 2 . 1 1 54 54 ASN CB C 54 37.140 37.140 37.673 -0.533 18987 896 1 2 . 1 1 54 54 ASN H H 54 8.585 8.585 8.529 0.056 18987 897 1 2 . 1 1 55 55 LYS N N 55 117.013 117.013 118.446 -1.433 18987 898 1 2 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.166 -0.064 18987 899 1 2 . 1 1 55 55 LYS C C 55 176.819 176.819 177.137 -0.318 18987 900 1 2 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.234 -0.674 18987 901 1 2 . 1 1 55 55 LYS CB C 55 32.180 32.180 31.711 0.469 18987 902 1 2 . 1 1 55 55 LYS H H 55 7.661 7.661 8.208 -0.547 18987 903 1 2 . 1 1 56 56 LEU N N 56 114.768 114.768 118.165 -3.397 18987 904 1 2 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.269 -0.343 18987 905 1 2 . 1 1 56 56 LEU C C 56 176.702 176.702 176.942 -0.240 18987 906 1 2 . 1 1 56 56 LEU CA C 56 55.920 55.920 54.937 0.983 18987 907 1 2 . 1 1 56 56 LEU CB C 56 42.020 42.020 41.637 0.383 18987 908 1 2 . 1 1 56 56 LEU H H 56 7.690 7.690 7.216 0.474 18987 909 1 2 . 1 1 57 57 PHE N N 57 114.558 114.558 118.168 -3.610 18987 910 1 2 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.748 -0.300 18987 911 1 2 . 1 1 57 57 PHE C C 57 176.319 176.319 176.862 -0.543 18987 912 1 2 . 1 1 57 57 PHE CA C 57 58.470 58.470 58.911 -0.441 18987 913 1 2 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.744 0.956 18987 914 1 2 . 1 1 57 57 PHE H H 57 7.032 7.032 7.532 -0.500 18987 915 1 2 . 1 1 58 58 ASN N N 58 118.674 118.674 122.361 -3.687 18987 916 1 2 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.664 -0.178 18987 917 1 2 . 1 1 58 58 ASN CA C 58 51.540 51.540 53.279 -1.739 18987 918 1 2 . 1 1 58 58 ASN CB C 58 36.910 36.910 38.010 -1.099 18987 919 1 2 . 1 1 58 58 ASN H H 58 8.659 8.659 8.676 -0.017 18987 920 1 2 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.176 0.386 18987 921 1 2 . 1 1 60 60 HIS C C 60 176.309 176.309 175.742 0.567 18987 922 1 2 . 1 1 60 60 HIS CA C 60 55.920 55.920 56.699 -0.779 18987 923 1 2 . 1 1 60 60 HIS CB C 60 30.890 30.890 28.719 2.171 18987 924 1 2 . 1 1 61 61 GLY N N 61 106.925 106.925 106.020 0.905 18987 925 1 2 . 1 1 61 61 GLY CA C 61 45.180 45.180 45.165 0.015 18987 926 1 2 . 1 1 61 61 GLY H H 61 7.284 7.284 8.007 -0.723 18987 927 1 2 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.570 -0.522 18987 928 1 2 . 1 1 63 63 LYS C C 63 177.435 177.435 178.323 -0.888 18987 929 1 2 . 1 1 63 63 LYS CA C 63 58.300 58.300 57.159 1.141 18987 930 1 2 . 1 1 63 63 LYS CB C 63 31.160 31.160 33.636 -2.476 18987 931 1 2 . 1 1 64 64 TYR N N 64 119.737 119.737 121.038 -1.301 18987 932 1 2 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.017 -0.361 18987 933 1 2 . 1 1 64 64 TYR C C 64 178.339 178.339 176.601 1.738 18987 934 1 2 . 1 1 64 64 TYR CA C 64 61.610 61.610 62.635 -1.025 18987 935 1 2 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.627 0.273 18987 936 1 2 . 1 1 64 64 TYR H H 64 7.644 7.644 8.259 -0.615 18987 937 1 2 . 1 1 65 65 ARG N N 65 118.236 118.236 115.426 2.810 18987 938 1 2 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.201 0.009 18987 939 1 2 . 1 1 65 65 ARG C C 65 179.816 179.816 176.754 3.062 18987 940 1 2 . 1 1 65 65 ARG CA C 65 59.090 59.090 57.455 1.635 18987 941 1 2 . 1 1 65 65 ARG CB C 65 30.160 30.160 29.321 0.839 18987 942 1 2 . 1 1 65 65 ARG H H 65 7.358 7.358 8.272 -0.914 18987 943 1 2 . 1 1 66 66 GLU N N 66 123.063 123.063 120.937 2.126 18987 944 1 2 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.134 -0.217 18987 945 1 2 . 1 1 66 66 GLU C C 66 178.626 178.626 177.815 0.811 18987 946 1 2 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.699 0.751 18987 947 1 2 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.413 0.277 18987 948 1 2 . 1 1 66 66 GLU H H 66 8.789 8.789 7.949 0.840 18987 949 1 2 . 1 1 67 67 LEU N N 67 115.817 115.817 116.790 -0.973 18987 950 1 2 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.267 -0.137 18987 951 1 2 . 1 1 67 67 LEU C C 67 176.171 176.171 176.742 -0.571 18987 952 1 2 . 1 1 67 67 LEU CA C 67 54.750 54.750 55.171 -0.421 18987 953 1 2 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.610 -0.590 18987 954 1 2 . 1 1 67 67 LEU H H 67 7.907 7.907 7.801 0.106 18987 955 1 2 . 1 1 68 68 ASP N N 68 118.063 118.063 118.150 -0.087 18987 956 1 2 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.289 0.125 18987 957 1 2 . 1 1 68 68 ASP C C 68 177.521 177.521 176.376 1.145 18987 958 1 2 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.590 -0.190 18987 959 1 2 . 1 1 68 68 ASP CB C 68 39.640 39.640 39.370 0.270 18987 960 1 2 . 1 1 68 68 ASP H H 68 7.878 7.878 7.938 -0.060 18987 961 1 2 . 1 1 69 69 LEU N N 69 115.724 115.724 118.750 -3.026 18987 962 1 2 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.769 -0.330 18987 963 1 2 . 1 1 69 69 LEU C C 69 177.584 177.584 177.912 -0.328 18987 964 1 2 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.091 0.389 18987 965 1 2 . 1 1 69 69 LEU CB C 69 38.700 38.700 41.221 -2.521 18987 966 1 2 . 1 1 69 69 LEU H H 69 7.285 7.285 7.799 -0.514 18987 967 1 2 . 1 1 70 70 LYS N N 70 119.751 119.751 118.554 1.197 18987 968 1 2 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.724 0.237 18987 969 1 2 . 1 1 70 70 LYS C C 70 177.903 177.903 178.325 -0.422 18987 970 1 2 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.736 0.744 18987 971 1 2 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.624 0.356 18987 972 1 2 . 1 1 70 70 LYS H H 70 8.601 8.601 7.549 1.052 18987 973 1 2 . 1 1 71 71 ASN N N 71 113.386 113.386 116.872 -3.486 18987 974 1 2 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.426 0.300 18987 975 1 2 . 1 1 71 71 ASN C C 71 176.808 176.808 176.947 -0.139 18987 976 1 2 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.800 -1.430 18987 977 1 2 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.358 1.602 18987 978 1 2 . 1 1 71 71 ASN H H 71 6.965 6.965 7.913 -0.948 18987 979 1 2 . 1 1 72 72 LYS N N 72 118.475 118.475 118.754 -0.279 18987 980 1 2 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.216 -0.067 18987 981 1 2 . 1 1 72 72 LYS C C 72 178.849 178.849 178.308 0.541 18987 982 1 2 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.283 -0.363 18987 983 1 2 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.820 1.210 18987 984 1 2 . 1 1 72 72 LYS H H 72 8.113 8.113 7.446 0.667 18987 985 1 2 . 1 1 73 73 LEU N N 73 120.458 120.458 120.568 -0.110 18987 986 1 2 . 1 1 73 73 LEU HA H 73 3.599 3.599 3.973 -0.374 18987 987 1 2 . 1 1 73 73 LEU C C 73 178.126 178.126 178.455 -0.329 18987 988 1 2 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.231 1.599 18987 989 1 2 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.649 -0.749 18987 990 1 2 . 1 1 73 73 LEU H H 73 8.549 8.549 8.199 0.350 18987 991 1 2 . 1 1 74 74 GLN N N 74 112.719 112.719 115.067 -2.348 18987 992 1 2 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.130 0.048 18987 993 1 2 . 1 1 74 74 GLN C C 74 176.883 176.883 177.109 -0.226 18987 994 1 2 . 1 1 74 74 GLN CA C 74 57.250 57.250 58.034 -0.784 18987 995 1 2 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.617 -0.188 18987 996 1 2 . 1 1 74 74 GLN H H 74 7.918 7.918 7.815 0.103 18987 997 1 2 . 1 1 75 75 THR N N 75 108.336 108.336 114.304 -5.968 18987 998 1 2 . 1 1 75 75 THR HA H 75 4.410 4.410 4.456 -0.046 18987 999 1 2 . 1 1 75 75 THR C C 75 174.619 174.619 174.628 -0.009 18987 1000 1 2 . 1 1 75 75 THR CA C 75 61.760 61.760 62.045 -0.286 18987 1001 1 2 . 1 1 75 75 THR CB C 75 69.950 69.950 70.254 -0.304 18987 1002 1 2 . 1 1 75 75 THR H H 75 7.620 7.620 7.511 0.109 18987 1003 1 2 . 1 1 76 76 LEU N N 76 122.754 122.754 119.771 2.983 18987 1004 1 2 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.595 -0.107 18987 1005 1 2 . 1 1 76 76 LEU C C 76 177.234 177.234 176.492 0.742 18987 1006 1 2 . 1 1 76 76 LEU CA C 76 54.190 54.190 53.651 0.539 18987 1007 1 2 . 1 1 76 76 LEU CB C 76 44.040 44.040 42.155 1.885 18987 1008 1 2 . 1 1 76 76 LEU H H 76 7.191 7.191 7.751 -0.560 18987 1009 1 2 . 1 1 77 77 SER N N 77 119.431 119.431 115.329 4.102 18987 1010 1 2 . 1 1 77 77 SER HA H 77 4.465 4.465 4.577 -0.112 18987 1011 1 2 . 1 1 77 77 SER C C 77 175.320 175.320 175.475 -0.155 18987 1012 1 2 . 1 1 77 77 SER CA C 77 57.360 57.360 57.533 -0.173 18987 1013 1 2 . 1 1 77 77 SER CB C 77 65.080 65.080 64.662 0.418 18987 1014 1 2 . 1 1 77 77 SER H H 77 9.367 9.367 8.327 1.040 18987 1015 1 2 . 1 1 78 78 ASP N N 78 122.766 122.766 123.482 -0.716 18987 1016 1 2 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.392 -0.197 18987 1017 1 2 . 1 1 78 78 ASP C C 78 178.211 178.211 177.653 0.558 18987 1018 1 2 . 1 1 78 78 ASP CA C 78 58.470 58.470 58.032 0.438 18987 1019 1 2 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.959 -1.500 18987 1020 1 2 . 1 1 78 78 ASP H H 78 9.055 9.055 8.891 0.164 18987 1021 1 2 . 1 1 79 79 ASP N N 79 117.917 117.917 119.498 -1.581 18987 1022 1 2 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.403 -0.128 18987 1023 1 2 . 1 1 79 79 ASP C C 79 179.179 179.179 178.031 1.148 18987 1024 1 2 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.246 0.754 18987 1025 1 2 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.850 -0.540 18987 1026 1 2 . 1 1 79 79 ASP H H 79 8.245 8.245 8.730 -0.485 18987 1027 1 2 . 1 1 80 80 GLU N N 80 120.229 120.229 119.117 1.112 18987 1028 1 2 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.311 -0.394 18987 1029 1 2 . 1 1 80 80 GLU C C 80 180.369 180.369 179.029 1.340 18987 1030 1 2 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.908 0.392 18987 1031 1 2 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.626 1.294 18987 1032 1 2 . 1 1 80 80 GLU H H 80 7.732 7.732 7.656 0.076 18987 1033 1 2 . 1 1 81 81 LYS N N 81 120.163 120.163 120.096 0.067 18987 1034 1 2 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.315 -0.469 18987 1035 1 2 . 1 1 81 81 LYS C C 81 177.956 177.956 179.104 -1.148 18987 1036 1 2 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.555 1.385 18987 1037 1 2 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.493 1.127 18987 1038 1 2 . 1 1 81 81 LYS H H 81 8.340 8.340 7.587 0.753 18987 1039 1 2 . 1 1 82 82 LEU N N 82 117.478 117.478 119.429 -1.951 18987 1040 1 2 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.644 0.029 18987 1041 1 2 . 1 1 82 82 LEU C C 82 178.870 178.870 178.684 0.186 18987 1042 1 2 . 1 1 82 82 LEU CA C 82 57.770 57.770 58.074 -0.304 18987 1043 1 2 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.634 0.116 18987 1044 1 2 . 1 1 82 82 LEU H H 82 8.161 8.161 7.633 0.528 18987 1045 1 2 . 1 1 83 83 GLU N N 83 119.824 119.824 118.922 0.902 18987 1046 1 2 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.958 -0.218 18987 1047 1 2 . 1 1 83 83 GLU C C 83 179.009 179.009 179.375 -0.366 18987 1048 1 2 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.459 0.021 18987 1049 1 2 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.437 -0.097 18987 1050 1 2 . 1 1 83 83 GLU H H 83 7.999 7.999 7.686 0.313 18987 1051 1 2 . 1 1 84 84 LEU N N 84 119.684 119.684 119.936 -0.252 18987 1052 1 2 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.978 -0.036 18987 1053 1 2 . 1 1 84 84 LEU C C 84 179.264 179.264 179.178 0.086 18987 1054 1 2 . 1 1 84 84 LEU CA C 84 58.090 58.090 58.012 0.078 18987 1055 1 2 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.922 0.388 18987 1056 1 2 . 1 1 84 84 LEU H H 84 7.470 7.470 7.862 -0.392 18987 1057 1 2 . 1 1 85 85 LEU N N 85 119.086 119.086 118.588 0.498 18987 1058 1 2 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.730 -0.346 18987 1059 1 2 . 1 1 85 85 LEU C C 85 176.064 176.064 179.194 -3.130 18987 1060 1 2 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.257 0.603 18987 1061 1 2 . 1 1 85 85 LEU CB C 85 42.360 42.360 40.986 1.374 18987 1062 1 2 . 1 1 85 85 LEU H H 85 7.726 7.726 7.743 -0.017 18987 1063 1 2 . 1 1 86 86 SER N N 86 105.708 105.708 113.480 -7.772 18987 1064 1 2 . 1 1 86 86 SER HA H 86 4.283 4.283 4.758 -0.475 18987 1065 1 2 . 1 1 86 86 SER C C 86 176.351 176.351 176.139 0.212 18987 1066 1 2 . 1 1 86 86 SER CA C 86 60.380 60.380 60.616 -0.236 18987 1067 1 2 . 1 1 86 86 SER CB C 86 64.400 64.400 63.299 1.101 18987 1068 1 2 . 1 1 86 86 SER H H 86 7.617 7.617 7.903 -0.286 18987 1069 1 2 . 1 1 87 87 SER N N 87 115.392 115.392 116.822 -1.430 18987 1070 1 2 . 1 1 87 87 SER HA H 87 4.345 4.345 4.426 -0.081 18987 1071 1 2 . 1 1 87 87 SER C C 87 174.534 174.534 174.660 -0.126 18987 1072 1 2 . 1 1 87 87 SER CA C 87 59.820 59.820 60.657 -0.837 18987 1073 1 2 . 1 1 87 87 SER CB C 87 64.340 64.340 63.903 0.437 18987 1074 1 2 . 1 1 87 87 SER H H 87 7.644 7.644 7.870 -0.226 18987 1075 1 2 . 1 1 88 88 ASP N N 88 120.295 120.295 120.709 -0.414 18987 1076 1 2 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.818 -0.214 18987 1077 1 2 . 1 1 88 88 ASP C C 88 175.618 175.618 176.022 -0.404 18987 1078 1 2 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.891 0.119 18987 1079 1 2 . 1 1 88 88 ASP CB C 88 41.020 41.020 42.763 -1.743 18987 1080 1 2 . 1 1 88 88 ASP H H 88 7.104 7.104 7.728 -0.624 18987 1081 1 2 . 1 1 89 89 GLY N N 89 111.841 111.841 110.661 1.180 18987 1082 1 2 . 1 1 89 89 GLY C C 89 176.171 176.171 174.798 1.373 18987 1083 1 2 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.722 0.958 18987 1084 1 2 . 1 1 89 89 GLY H H 89 9.325 9.325 8.612 0.713 18987 1085 1 2 . 1 1 90 90 MET N N 90 117.877 117.877 117.424 0.453 18987 1086 1 2 . 1 1 90 90 MET HA H 90 4.075 4.075 4.303 -0.228 18987 1087 1 2 . 1 1 90 90 MET C C 90 178.456 178.456 178.145 0.311 18987 1088 1 2 . 1 1 90 90 MET CA C 90 56.400 56.400 56.731 -0.331 18987 1089 1 2 . 1 1 90 90 MET CB C 90 30.540 30.540 31.781 -1.241 18987 1090 1 2 . 1 1 90 90 MET H H 90 8.593 8.593 7.833 0.760 18987 1091 1 2 . 1 1 91 91 LEU N N 91 118.027 118.027 118.160 -0.133 18987 1092 1 2 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.157 0.122 18987 1093 1 2 . 1 1 91 91 LEU C C 91 176.298 176.298 176.846 -0.548 18987 1094 1 2 . 1 1 91 91 LEU CA C 91 55.460 55.460 55.875 -0.415 18987 1095 1 2 . 1 1 91 91 LEU CB C 91 43.130 43.130 41.831 1.299 18987 1096 1 2 . 1 1 91 91 LEU H H 91 8.224 8.224 7.245 0.979 18987 1097 1 2 . 1 1 92 92 VAL N N 92 120.960 120.960 117.208 3.752 18987 1098 1 2 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.345 -0.344 18987 1099 1 2 . 1 1 92 92 VAL C C 92 175.990 175.990 176.165 -0.175 18987 1100 1 2 . 1 1 92 92 VAL CA C 92 61.150 61.150 61.267 -0.117 18987 1101 1 2 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.848 -0.578 18987 1102 1 2 . 1 1 92 92 VAL H H 92 7.093 7.093 7.051 0.042 18987 1103 1 2 . 1 1 93 93 LYS N N 93 130.687 130.687 125.537 5.150 18987 1104 1 2 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.165 -0.459 18987 1105 1 2 . 1 1 93 93 LYS C C 93 171.855 171.855 176.921 -5.066 18987 1106 1 2 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.584 1.336 18987 1107 1 2 . 1 1 93 93 LYS CB C 93 32.800 32.800 31.508 1.292 18987 1108 1 2 . 1 1 93 93 LYS H H 93 8.442 8.442 8.217 0.225 18987 1109 1 2 . 1 1 94 94 ARG N N 94 115.791 115.791 123.900 -8.109 18987 1110 1 2 . 1 1 94 94 ARG H H 94 7.676 7.676 8.366 -0.690 18987 1111 1 2 . 1 1 95 95 PRO C C 95 175.108 175.108 175.306 -0.198 18987 1112 1 2 . 1 1 96 96 LEU N N 96 128.494 128.494 125.952 2.542 18987 1113 1 2 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.534 -0.553 18987 1114 1 2 . 1 1 96 96 LEU C C 96 173.216 173.216 174.330 -1.114 18987 1115 1 2 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.454 1.416 18987 1116 1 2 . 1 1 96 96 LEU CB C 96 43.660 43.660 46.928 -3.268 18987 1117 1 2 . 1 1 96 96 LEU H H 96 8.246 8.246 8.418 -0.172 18987 1118 1 2 . 1 1 97 97 ALA N N 97 131.035 131.035 125.678 5.357 18987 1119 1 2 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.553 0.317 18987 1120 1 2 . 1 1 97 97 ALA C C 97 174.938 174.938 174.987 -0.049 18987 1121 1 2 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.249 -1.399 18987 1122 1 2 . 1 1 97 97 ALA CB C 97 20.070 20.070 22.378 -2.308 18987 1123 1 2 . 1 1 97 97 ALA H H 97 8.839 8.839 8.958 -0.119 18987 1124 1 2 . 1 1 98 98 VAL N N 98 119.830 119.830 123.736 -3.906 18987 1125 1 2 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.313 0.243 18987 1126 1 2 . 1 1 98 98 VAL C C 98 173.896 173.896 173.541 0.355 18987 1127 1 2 . 1 1 98 98 VAL CA C 98 59.270 59.270 59.853 -0.583 18987 1128 1 2 . 1 1 98 98 VAL CB C 98 35.970 35.970 35.488 0.482 18987 1129 1 2 . 1 1 98 98 VAL H H 98 8.824 8.824 8.539 0.285 18987 1130 1 2 . 1 1 99 99 MET N N 99 127.537 127.537 123.292 4.245 18987 1131 1 2 . 1 1 99 99 MET HA H 99 4.430 4.430 4.946 -0.516 18987 1132 1 2 . 1 1 99 99 MET CA C 99 56.710 56.710 54.247 2.463 18987 1133 1 2 . 1 1 99 99 MET CB C 99 31.050 31.050 35.519 -4.469 18987 1134 1 2 . 1 1 99 99 MET H H 99 8.873 8.873 8.937 -0.064 18987 1135 1 2 . 1 1 100 100 GLY C C 100 173.024 173.024 174.704 -1.680 18987 1136 1 2 . 1 1 100 100 GLY CA C 100 47.970 47.970 46.700 1.270 18987 1137 1 2 . 1 1 101 101 ASP N N 101 124.308 124.308 118.361 5.947 18987 1138 1 2 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.803 -0.604 18987 1139 1 2 . 1 1 101 101 ASP C C 101 175.172 175.172 176.118 -0.946 18987 1140 1 2 . 1 1 101 101 ASP CA C 101 53.310 53.310 54.129 -0.819 18987 1141 1 2 . 1 1 101 101 ASP CB C 101 40.170 40.170 41.152 -0.982 18987 1142 1 2 . 1 1 101 101 ASP H H 101 8.257 8.257 8.542 -0.285 18987 1143 1 2 . 1 1 102 102 LYS N N 102 121.002 121.002 119.837 1.165 18987 1144 1 2 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.619 -0.213 18987 1145 1 2 . 1 1 102 102 LYS C C 102 174.257 174.257 174.465 -0.208 18987 1146 1 2 . 1 1 102 102 LYS CA C 102 55.370 55.370 55.425 -0.055 18987 1147 1 2 . 1 1 102 102 LYS CB C 102 36.230 36.230 33.911 2.319 18987 1148 1 2 . 1 1 102 102 LYS H H 102 8.108 8.108 7.868 0.240 18987 1149 1 2 . 1 1 103 103 ILE N N 103 118.488 118.488 121.647 -3.159 18987 1150 1 2 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.233 0.626 18987 1151 1 2 . 1 1 103 103 ILE C C 103 173.652 173.652 174.353 -0.701 18987 1152 1 2 . 1 1 103 103 ILE CA C 103 58.620 58.620 60.199 -1.579 18987 1153 1 2 . 1 1 103 103 ILE CB C 103 42.250 42.250 42.238 0.012 18987 1154 1 2 . 1 1 103 103 ILE H H 103 8.038 8.038 8.380 -0.342 18987 1155 1 2 . 1 1 104 104 THR N N 104 115.441 115.441 119.636 -4.195 18987 1156 1 2 . 1 1 104 104 THR HA H 104 4.524 4.524 4.793 -0.269 18987 1157 1 2 . 1 1 104 104 THR C C 104 173.503 173.503 173.171 0.332 18987 1158 1 2 . 1 1 104 104 THR CA C 104 60.660 60.660 60.889 -0.229 18987 1159 1 2 . 1 1 104 104 THR CB C 104 72.460 72.460 71.721 0.739 18987 1160 1 2 . 1 1 104 104 THR H H 104 9.360 9.360 9.354 0.006 18987 1161 1 2 . 1 1 105 105 LEU N N 105 123.352 123.352 127.064 -3.712 18987 1162 1 2 . 1 1 105 105 LEU HA H 105 5.023 5.023 4.943 0.080 18987 1163 1 2 . 1 1 105 105 LEU C C 105 178.860 178.860 177.517 1.343 18987 1164 1 2 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.135 -1.095 18987 1165 1 2 . 1 1 105 105 LEU CB C 105 44.290 44.290 44.555 -0.265 18987 1166 1 2 . 1 1 105 105 LEU H H 105 8.857 8.857 8.662 0.195 18987 1167 1 2 . 1 1 106 106 GLY N N 106 108.363 108.363 110.588 -2.225 18987 1168 1 2 . 1 1 106 106 GLY C C 106 172.100 172.100 173.889 -1.789 18987 1169 1 2 . 1 1 106 106 GLY CA C 106 44.870 44.870 44.634 0.236 18987 1170 1 2 . 1 1 106 106 GLY H H 106 8.241 8.241 8.389 -0.148 18987 1171 1 2 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.797 -0.109 18987 1172 1 2 . 1 1 107 107 PHE CA C 107 58.000 58.000 57.934 0.067 18987 1173 1 2 . 1 1 107 107 PHE CB C 107 41.620 41.620 38.708 2.912 18987 1174 1 2 . 1 1 108 108 LYS N N 108 129.677 129.677 128.372 1.305 18987 1175 1 2 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.231 -0.329 18987 1176 1 2 . 1 1 108 108 LYS CA C 108 54.650 54.650 54.868 -0.218 18987 1177 1 2 . 1 1 108 108 LYS CB C 108 34.130 34.130 33.641 0.489 18987 1178 1 2 . 1 1 108 108 LYS H H 108 7.351 7.351 7.219 0.132 18987 1179 1 2 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.605 -0.645 18987 1180 1 2 . 1 1 109 109 GLU C C 109 177.255 177.255 177.566 -0.311 18987 1181 1 2 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.655 1.185 18987 1182 1 2 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.319 -0.019 18987 1183 1 2 . 1 1 110 110 ASP N N 110 115.831 115.831 118.766 -2.935 18987 1184 1 2 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.228 -0.071 18987 1185 1 2 . 1 1 110 110 ASP C C 110 178.456 178.456 178.155 0.301 18987 1186 1 2 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.774 -0.864 18987 1187 1 2 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.403 -1.193 18987 1188 1 2 . 1 1 110 110 ASP H H 110 8.654 8.654 8.246 0.408 18987 1189 1 2 . 1 1 111 111 GLN N N 111 119.458 119.458 116.945 2.513 18987 1190 1 2 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.933 0.148 18987 1191 1 2 . 1 1 111 111 GLN C C 111 179.189 179.189 178.544 0.645 18987 1192 1 2 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.461 -0.321 18987 1193 1 2 . 1 1 111 111 GLN CB C 111 28.850 28.850 27.981 0.869 18987 1194 1 2 . 1 1 111 111 GLN H H 111 6.993 6.993 8.316 -1.323 18987 1195 1 2 . 1 1 112 112 TYR N N 112 124.973 124.973 118.743 6.230 18987 1196 1 2 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.338 -0.411 18987 1197 1 2 . 1 1 112 112 TYR C C 112 178.254 178.254 177.978 0.276 18987 1198 1 2 . 1 1 112 112 TYR CA C 112 62.690 62.690 60.078 2.612 18987 1199 1 2 . 1 1 112 112 TYR CB C 112 36.660 36.660 37.729 -1.069 18987 1200 1 2 . 1 1 112 112 TYR H H 112 8.289 8.289 7.791 0.498 18987 1201 1 2 . 1 1 113 113 LYS N N 113 118.329 118.329 118.973 -0.644 18987 1202 1 2 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.101 -0.188 18987 1203 1 2 . 1 1 113 113 LYS C C 113 178.296 178.296 178.125 0.171 18987 1204 1 2 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.564 1.516 18987 1205 1 2 . 1 1 113 113 LYS CB C 113 32.810 32.810 32.002 0.808 18987 1206 1 2 . 1 1 113 113 LYS H H 113 8.310 8.310 8.065 0.245 18987 1207 1 2 . 1 1 114 114 GLU N N 114 115.605 115.605 118.701 -3.096 18987 1208 1 2 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.215 -0.319 18987 1209 1 2 . 1 1 114 114 GLU C C 114 177.308 177.308 177.844 -0.536 18987 1210 1 2 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.740 -0.430 18987 1211 1 2 . 1 1 114 114 GLU CB C 114 30.140 30.140 29.975 0.165 18987 1212 1 2 . 1 1 114 114 GLU H H 114 7.603 7.603 7.916 -0.313 18987 1213 1 2 . 1 1 115 115 THR N N 115 112.256 112.256 113.221 -0.965 18987 1214 1 2 . 1 1 115 115 THR HA H 115 3.666 3.666 4.115 -0.449 18987 1215 1 2 . 1 1 115 115 THR C C 115 174.672 174.672 175.777 -1.105 18987 1216 1 2 . 1 1 115 115 THR CA C 115 65.710 65.710 64.144 1.566 18987 1217 1 2 . 1 1 115 115 THR CB C 115 68.700 68.700 69.162 -0.462 18987 1218 1 2 . 1 1 115 115 THR H H 115 7.591 7.591 7.726 -0.135 18987 1219 1 2 . 1 1 116 116 TRP N N 116 116.495 116.495 121.125 -4.630 18987 1220 1 2 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.494 0.809 18987 1221 1 2 . 1 1 116 116 TRP C C 116 176.553 176.553 177.117 -0.564 18987 1222 1 2 . 1 1 116 116 TRP CA C 116 55.620 55.620 58.096 -2.476 18987 1223 1 2 . 1 1 116 116 TRP CB C 116 31.430 31.430 29.807 1.623 18987 1224 1 2 . 1 1 116 116 TRP H H 116 7.661 7.661 7.635 0.026 18987 1225 1 2 . 1 1 117 117 LEU N N 117 116.588 116.588 118.859 -2.271 18987 1226 1 2 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.562 0.040 18987 1227 1 2 . 1 1 117 117 LEU C C 117 175.788 175.788 177.100 -1.312 18987 1228 1 2 . 1 1 117 117 LEU CA C 117 53.860 53.860 53.973 -0.113 18987 1229 1 2 . 1 1 117 117 LEU CB C 117 40.880 40.880 42.773 -1.893 18987 1230 1 2 . 1 1 117 117 LEU H H 117 6.922 6.922 7.372 -0.450 18987 1231 1 3 . 1 1 2 2 ILE N N 2 124.348 124.348 122.321 2.027 18987 1232 1 3 . 1 1 2 2 ILE HA H 2 3.576 3.576 3.959 -0.383 18987 1233 1 3 . 1 1 2 2 ILE C C 2 175.884 175.884 175.995 -0.111 18987 1234 1 3 . 1 1 2 2 ILE CA C 2 62.790 62.790 61.937 0.853 18987 1235 1 3 . 1 1 2 2 ILE CB C 2 40.400 40.400 37.159 3.241 18987 1236 1 3 . 1 1 2 2 ILE H H 2 7.539 7.539 8.223 -0.684 18987 1237 1 3 . 1 1 3 3 LYS N N 3 128.600 128.600 128.789 -0.189 18987 1238 1 3 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.138 0.197 18987 1239 1 3 . 1 1 3 3 LYS C C 3 173.322 173.322 175.795 -2.473 18987 1240 1 3 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.755 1.875 18987 1241 1 3 . 1 1 3 3 LYS CB C 3 32.800 32.800 30.554 2.246 18987 1242 1 3 . 1 1 3 3 LYS H H 3 8.524 8.524 8.465 0.059 18987 1243 1 3 . 1 1 4 4 PHE N N 4 128.560 128.560 127.732 0.828 18987 1244 1 3 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.700 0.135 18987 1245 1 3 . 1 1 4 4 PHE C C 4 172.546 172.546 173.944 -1.398 18987 1246 1 3 . 1 1 4 4 PHE CA C 4 56.570 56.570 55.850 0.720 18987 1247 1 3 . 1 1 4 4 PHE CB C 4 42.600 42.600 38.721 3.879 18987 1248 1 3 . 1 1 4 4 PHE H H 4 8.412 8.412 7.985 0.427 18987 1249 1 3 . 1 1 5 5 TYR N N 5 125.785 125.785 127.376 -1.591 18987 1250 1 3 . 1 1 5 5 TYR HA H 5 5.126 5.126 4.990 0.136 18987 1251 1 3 . 1 1 5 5 TYR C C 5 175.852 175.852 175.011 0.841 18987 1252 1 3 . 1 1 5 5 TYR CA C 5 57.980 57.980 58.353 -0.374 18987 1253 1 3 . 1 1 5 5 TYR CB C 5 38.550 38.550 39.051 -0.501 18987 1254 1 3 . 1 1 5 5 TYR H H 5 9.313 9.313 8.419 0.894 18987 1255 1 3 . 1 1 6 6 GLN N N 6 117.436 117.436 119.657 -2.221 18987 1256 1 3 . 1 1 6 6 GLN HA H 6 4.622 4.622 4.956 -0.334 18987 1257 1 3 . 1 1 6 6 GLN C C 6 171.951 171.951 173.671 -1.720 18987 1258 1 3 . 1 1 6 6 GLN CA C 6 53.430 53.430 53.424 0.006 18987 1259 1 3 . 1 1 6 6 GLN CB C 6 30.490 30.490 32.626 -2.136 18987 1260 1 3 . 1 1 6 6 GLN H H 6 9.110 9.110 8.739 0.371 18987 1261 1 3 . 1 1 7 7 TYR N N 7 116.309 116.309 121.083 -4.774 18987 1262 1 3 . 1 1 7 7 TYR HA H 7 4.953 4.953 4.951 0.002 18987 1263 1 3 . 1 1 7 7 TYR CA C 7 56.130 56.130 58.209 -2.079 18987 1264 1 3 . 1 1 7 7 TYR CB C 7 42.860 42.860 39.157 3.703 18987 1265 1 3 . 1 1 7 7 TYR H H 7 7.075 7.075 8.559 -1.484 18987 1266 1 3 . 1 1 12 12 THR HA H 12 3.868 3.868 4.044 -0.176 18987 1267 1 3 . 1 1 12 12 THR C C 12 176.203 176.203 176.534 -0.331 18987 1268 1 3 . 1 1 12 12 THR CA C 12 65.930 65.930 66.486 -0.556 18987 1269 1 3 . 1 1 12 12 THR CB C 12 68.630 68.630 68.428 0.202 18987 1270 1 3 . 1 1 13 13 CYS N N 13 116.721 116.721 120.999 -4.278 18987 1271 1 3 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.338 -0.107 18987 1272 1 3 . 1 1 13 13 CYS C C 13 174.938 174.938 176.398 -1.460 18987 1273 1 3 . 1 1 13 13 CYS CA C 13 63.790 63.790 62.243 1.547 18987 1274 1 3 . 1 1 13 13 CYS CB C 13 33.590 33.590 26.752 6.838 18987 1275 1 3 . 1 1 13 13 CYS H H 13 8.441 8.441 7.887 0.554 18987 1276 1 3 . 1 1 14 14 LYS N N 14 119.429 119.429 119.160 0.269 18987 1277 1 3 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.109 -0.072 18987 1278 1 3 . 1 1 14 14 LYS C C 14 179.370 179.370 179.222 0.148 18987 1279 1 3 . 1 1 14 14 LYS CA C 14 59.150 59.150 59.016 0.134 18987 1280 1 3 . 1 1 14 14 LYS CB C 14 32.270 32.270 31.986 0.284 18987 1281 1 3 . 1 1 14 14 LYS H H 14 7.805 7.805 8.287 -0.482 18987 1282 1 3 . 1 1 15 15 LYS N N 15 119.379 119.379 119.547 -0.168 18987 1283 1 3 . 1 1 15 15 LYS HA H 15 3.677 3.677 4.069 -0.392 18987 1284 1 3 . 1 1 15 15 LYS C C 15 177.999 177.999 179.046 -1.047 18987 1285 1 3 . 1 1 15 15 LYS CA C 15 59.270 59.270 59.041 0.229 18987 1286 1 3 . 1 1 15 15 LYS CB C 15 32.630 32.630 31.934 0.696 18987 1287 1 3 . 1 1 15 15 LYS H H 15 7.612 7.612 7.767 -0.155 18987 1288 1 3 . 1 1 16 16 ALA N N 16 122.940 122.940 121.213 1.727 18987 1289 1 3 . 1 1 16 16 ALA HA H 16 2.906 2.906 4.277 -1.371 18987 1290 1 3 . 1 1 16 16 ALA C C 16 177.999 177.999 179.386 -1.387 18987 1291 1 3 . 1 1 16 16 ALA CA C 16 54.370 54.370 55.099 -0.729 18987 1292 1 3 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.302 0.968 18987 1293 1 3 . 1 1 16 16 ALA H H 16 7.346 7.346 8.170 -0.824 18987 1294 1 3 . 1 1 17 17 ALA N N 17 120.093 120.093 119.991 0.102 18987 1295 1 3 . 1 1 17 17 ALA HA H 17 2.965 2.965 3.280 -0.315 18987 1296 1 3 . 1 1 17 17 ALA C C 17 178.466 178.466 179.358 -0.892 18987 1297 1 3 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.529 0.341 18987 1298 1 3 . 1 1 17 17 ALA CB C 17 17.270 17.270 18.306 -1.036 18987 1299 1 3 . 1 1 17 17 ALA H H 17 7.959 7.959 7.937 0.022 18987 1300 1 3 . 1 1 18 18 LYS N N 18 115.894 115.894 119.950 -4.056 18987 1301 1 3 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.103 -0.138 18987 1302 1 3 . 1 1 18 18 LYS C C 18 178.647 178.647 178.438 0.209 18987 1303 1 3 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.635 0.275 18987 1304 1 3 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.241 -0.061 18987 1305 1 3 . 1 1 18 18 LYS H H 18 7.565 7.565 7.857 -0.292 18987 1306 1 3 . 1 1 19 19 PHE N N 19 120.854 120.854 120.641 0.213 18987 1307 1 3 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.279 -0.040 18987 1308 1 3 . 1 1 19 19 PHE C C 19 176.925 176.925 177.314 -0.389 18987 1309 1 3 . 1 1 19 19 PHE CA C 19 61.730 61.730 61.663 0.067 18987 1310 1 3 . 1 1 19 19 PHE CB C 19 39.140 39.140 39.267 -0.127 18987 1311 1 3 . 1 1 19 19 PHE H H 19 7.496 7.496 7.943 -0.447 18987 1312 1 3 . 1 1 20 20 LEU N N 20 118.913 118.913 118.584 0.329 18987 1313 1 3 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.579 0.319 18987 1314 1 3 . 1 1 20 20 LEU C C 20 179.657 179.657 178.501 1.156 18987 1315 1 3 . 1 1 20 20 LEU CA C 20 58.330 58.330 57.798 0.532 18987 1316 1 3 . 1 1 20 20 LEU CB C 20 40.460 40.460 40.777 -0.317 18987 1317 1 3 . 1 1 20 20 LEU H H 20 8.012 8.012 7.808 0.204 18987 1318 1 3 . 1 1 21 21 ASP N N 21 118.448 118.448 118.151 0.297 18987 1319 1 3 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.457 -0.001 18987 1320 1 3 . 1 1 21 21 ASP C C 21 180.358 180.358 178.442 1.916 18987 1321 1 3 . 1 1 21 21 ASP CA C 21 57.680 57.680 56.982 0.698 18987 1322 1 3 . 1 1 21 21 ASP CB C 21 40.520 40.520 41.018 -0.498 18987 1323 1 3 . 1 1 21 21 ASP H H 21 8.814 8.814 7.970 0.844 18987 1324 1 3 . 1 1 22 22 GLU N N 22 122.661 122.661 119.674 2.987 18987 1325 1 3 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.023 -0.281 18987 1326 1 3 . 1 1 22 22 GLU C C 22 178.371 178.371 178.162 0.209 18987 1327 1 3 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.603 0.637 18987 1328 1 3 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.358 -0.578 18987 1329 1 3 . 1 1 22 22 GLU H H 22 8.544 8.544 7.718 0.826 18987 1330 1 3 . 1 1 23 23 TYR N N 23 114.768 114.768 115.943 -1.175 18987 1331 1 3 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.436 -0.186 18987 1332 1 3 . 1 1 23 23 TYR C C 23 175.724 175.724 175.405 0.319 18987 1333 1 3 . 1 1 23 23 TYR CA C 23 59.070 59.070 58.358 0.712 18987 1334 1 3 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.377 0.643 18987 1335 1 3 . 1 1 23 23 TYR H H 23 7.522 7.522 7.625 -0.103 18987 1336 1 3 . 1 1 24 24 GLY N N 24 110.449 110.449 108.414 2.035 18987 1337 1 3 . 1 1 24 24 GLY C C 24 174.534 174.534 174.861 -0.327 18987 1338 1 3 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.536 1.584 18987 1339 1 3 . 1 1 24 24 GLY H H 24 7.792 7.792 7.375 0.417 18987 1340 1 3 . 1 1 25 25 VAL N N 25 122.714 122.714 119.588 3.126 18987 1341 1 3 . 1 1 25 25 VAL HA H 25 3.959 3.959 4.173 -0.214 18987 1342 1 3 . 1 1 25 25 VAL C C 25 176.266 176.266 176.265 0.001 18987 1343 1 3 . 1 1 25 25 VAL CA C 25 62.000 62.000 61.495 0.505 18987 1344 1 3 . 1 1 25 25 VAL CB C 25 32.480 32.480 32.592 -0.112 18987 1345 1 3 . 1 1 25 25 VAL H H 25 8.393 8.393 8.124 0.269 18987 1346 1 3 . 1 1 26 26 SER N N 26 123.498 123.498 123.227 0.271 18987 1347 1 3 . 1 1 26 26 SER HA H 26 4.351 4.351 4.461 -0.110 18987 1348 1 3 . 1 1 26 26 SER C C 26 173.513 173.513 173.425 0.088 18987 1349 1 3 . 1 1 26 26 SER CA C 26 59.040 59.040 58.542 0.498 18987 1350 1 3 . 1 1 26 26 SER CB C 26 63.530 63.530 62.034 1.496 18987 1351 1 3 . 1 1 26 26 SER H H 26 8.559 8.559 8.622 -0.063 18987 1352 1 3 . 1 1 27 27 TYR N N 27 119.756 119.756 121.211 -1.455 18987 1353 1 3 . 1 1 27 27 TYR HA H 27 4.983 4.983 5.211 -0.228 18987 1354 1 3 . 1 1 27 27 TYR C C 27 172.355 172.355 174.369 -2.014 18987 1355 1 3 . 1 1 27 27 TYR CA C 27 55.750 55.750 54.905 0.845 18987 1356 1 3 . 1 1 27 27 TYR CB C 27 40.730 40.730 41.382 -0.652 18987 1357 1 3 . 1 1 27 27 TYR H H 27 7.838 7.838 7.874 -0.036 18987 1358 1 3 . 1 1 28 28 GLU N N 28 123.126 123.126 121.135 1.991 18987 1359 1 3 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.734 -0.006 18987 1360 1 3 . 1 1 28 28 GLU CA C 28 51.420 51.420 51.946 -0.526 18987 1361 1 3 . 1 1 28 28 GLU CB C 28 31.790 31.790 32.045 -0.255 18987 1362 1 3 . 1 1 28 28 GLU H H 28 9.006 9.006 9.127 -0.121 18987 1363 1 3 . 1 1 29 29 PRO HA H 29 5.619 5.619 4.983 0.636 18987 1364 1 3 . 1 1 29 29 PRO C C 29 177.276 177.276 176.058 1.218 18987 1365 1 3 . 1 1 29 29 PRO CA C 29 61.820 61.820 62.798 -0.978 18987 1366 1 3 . 1 1 29 29 PRO CB C 29 31.890 31.890 31.010 0.880 18987 1367 1 3 . 1 1 30 30 ILE N N 30 127.043 127.043 118.396 8.647 18987 1368 1 3 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.419 -0.315 18987 1369 1 3 . 1 1 30 30 ILE C C 30 174.948 174.948 174.512 0.436 18987 1370 1 3 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.528 1.832 18987 1371 1 3 . 1 1 30 30 ILE CB C 30 42.210 42.210 40.463 1.747 18987 1372 1 3 . 1 1 30 30 ILE H H 30 9.148 9.148 7.444 1.704 18987 1373 1 3 . 1 1 31 31 ASP N N 31 128.946 128.946 121.693 7.253 18987 1374 1 3 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.414 -0.522 18987 1375 1 3 . 1 1 31 31 ASP C C 31 176.373 176.373 177.342 -0.969 18987 1376 1 3 . 1 1 31 31 ASP CA C 31 54.600 54.600 55.688 -1.088 18987 1377 1 3 . 1 1 31 31 ASP CB C 31 42.920 42.920 42.372 0.548 18987 1378 1 3 . 1 1 31 31 ASP H H 31 9.092 9.092 8.828 0.264 18987 1379 1 3 . 1 1 32 32 ILE N N 32 127.576 127.576 125.642 1.934 18987 1380 1 3 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.241 -0.149 18987 1381 1 3 . 1 1 32 32 ILE C C 32 174.013 174.013 176.258 -2.245 18987 1382 1 3 . 1 1 32 32 ILE CA C 32 62.520 62.520 62.670 -0.150 18987 1383 1 3 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.882 1.868 18987 1384 1 3 . 1 1 32 32 ILE H H 32 9.362 9.362 8.891 0.471 18987 1385 1 3 . 1 1 33 33 VAL N N 33 123.498 123.498 118.647 4.851 18987 1386 1 3 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.872 -0.229 18987 1387 1 3 . 1 1 33 33 VAL C C 33 176.819 176.819 177.544 -0.725 18987 1388 1 3 . 1 1 33 33 VAL CA C 33 65.050 65.050 63.741 1.309 18987 1389 1 3 . 1 1 33 33 VAL CB C 33 31.970 31.970 31.229 0.741 18987 1390 1 3 . 1 1 33 33 VAL H H 33 8.445 8.445 8.011 0.434 18987 1391 1 3 . 1 1 34 34 GLN N N 34 119.897 119.897 118.621 1.276 18987 1392 1 3 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.082 -0.129 18987 1393 1 3 . 1 1 34 34 GLN C C 34 176.734 176.734 176.022 0.712 18987 1394 1 3 . 1 1 34 34 GLN CA C 34 57.540 57.540 57.579 -0.039 18987 1395 1 3 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.171 0.689 18987 1396 1 3 . 1 1 34 34 GLN H H 34 8.650 8.650 8.381 0.269 18987 1397 1 3 . 1 1 35 35 HIS N N 35 118.090 118.090 117.483 0.607 18987 1398 1 3 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.907 0.057 18987 1399 1 3 . 1 1 35 35 HIS C C 35 173.758 173.758 174.036 -0.278 18987 1400 1 3 . 1 1 35 35 HIS CA C 35 53.660 53.660 54.451 -0.791 18987 1401 1 3 . 1 1 35 35 HIS CB C 35 29.190 29.190 30.494 -1.304 18987 1402 1 3 . 1 1 35 35 HIS H H 35 8.178 8.178 7.660 0.518 18987 1403 1 3 . 1 1 36 36 THR N N 36 118.794 118.794 119.671 -0.877 18987 1404 1 3 . 1 1 36 36 THR HA H 36 4.142 4.142 4.507 -0.365 18987 1405 1 3 . 1 1 36 36 THR CA C 36 62.080 62.080 61.956 0.124 18987 1406 1 3 . 1 1 36 36 THR CB C 36 70.180 70.180 68.700 1.480 18987 1407 1 3 . 1 1 36 36 THR H H 36 7.468 7.468 7.849 -0.381 18987 1408 1 3 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.379 -0.104 18987 1409 1 3 . 1 1 37 37 PRO C C 37 174.970 174.970 176.039 -1.069 18987 1410 1 3 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.863 0.107 18987 1411 1 3 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.617 -2.187 18987 1412 1 3 . 1 1 38 38 THR N N 38 111.512 111.512 113.566 -2.054 18987 1413 1 3 . 1 1 38 38 THR HA H 38 4.298 4.298 4.328 -0.030 18987 1414 1 3 . 1 1 38 38 THR C C 38 175.756 175.756 176.720 -0.964 18987 1415 1 3 . 1 1 38 38 THR CA C 38 60.700 60.700 60.719 -0.019 18987 1416 1 3 . 1 1 38 38 THR CB C 38 71.560 71.560 69.686 1.874 18987 1417 1 3 . 1 1 38 38 THR H H 38 8.220 8.220 7.900 0.320 18987 1418 1 3 . 1 1 39 39 ILE N N 39 119.950 119.950 121.312 -1.362 18987 1419 1 3 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.828 -0.151 18987 1420 1 3 . 1 1 39 39 ILE C C 39 177.871 177.871 178.012 -0.141 18987 1421 1 3 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.669 1.431 18987 1422 1 3 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.772 0.368 18987 1423 1 3 . 1 1 39 39 ILE H H 39 8.763 8.763 8.554 0.209 18987 1424 1 3 . 1 1 40 40 ASN N N 40 116.189 116.189 117.243 -1.054 18987 1425 1 3 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.443 -0.094 18987 1426 1 3 . 1 1 40 40 ASN C C 40 178.445 178.445 177.369 1.076 18987 1427 1 3 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.821 -0.491 18987 1428 1 3 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.943 -0.003 18987 1429 1 3 . 1 1 40 40 ASN H H 40 8.180 8.180 8.488 -0.308 18987 1430 1 3 . 1 1 41 41 GLU N N 41 121.970 121.970 120.773 1.197 18987 1431 1 3 . 1 1 41 41 GLU HA H 41 3.915 3.915 3.995 -0.080 18987 1432 1 3 . 1 1 41 41 GLU C C 41 180.093 180.093 178.792 1.301 18987 1433 1 3 . 1 1 41 41 GLU CA C 41 59.590 59.590 59.177 0.413 18987 1434 1 3 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.148 0.602 18987 1435 1 3 . 1 1 41 41 GLU H H 41 7.782 7.782 7.475 0.307 18987 1436 1 3 . 1 1 42 42 PHE N N 42 118.929 118.929 118.997 -0.068 18987 1437 1 3 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.134 0.036 18987 1438 1 3 . 1 1 42 42 PHE C C 42 178.488 178.488 177.609 0.879 18987 1439 1 3 . 1 1 42 42 PHE CA C 42 63.020 63.020 61.870 1.150 18987 1440 1 3 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.633 0.597 18987 1441 1 3 . 1 1 42 42 PHE H H 42 8.776 8.776 8.334 0.442 18987 1442 1 3 . 1 1 43 43 LYS N N 43 118.820 118.820 117.971 0.849 18987 1443 1 3 . 1 1 43 43 LYS HA H 43 3.795 3.795 3.961 -0.166 18987 1444 1 3 . 1 1 43 43 LYS C C 43 179.816 179.816 178.944 0.872 18987 1445 1 3 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.863 1.287 18987 1446 1 3 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.843 0.397 18987 1447 1 3 . 1 1 43 43 LYS H H 43 8.775 8.775 8.249 0.526 18987 1448 1 3 . 1 1 44 44 THR N N 44 118.754 118.754 117.713 1.041 18987 1449 1 3 . 1 1 44 44 THR HA H 44 3.894 3.894 4.048 -0.154 18987 1450 1 3 . 1 1 44 44 THR C C 44 175.214 175.214 176.552 -1.338 18987 1451 1 3 . 1 1 44 44 THR CA C 44 66.900 66.900 66.821 0.079 18987 1452 1 3 . 1 1 44 44 THR CB C 44 68.920 68.920 68.912 0.008 18987 1453 1 3 . 1 1 44 44 THR H H 44 7.959 7.959 7.867 0.092 18987 1454 1 3 . 1 1 45 45 ILE N N 45 122.671 122.671 119.800 2.871 18987 1455 1 3 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.832 -0.025 18987 1456 1 3 . 1 1 45 45 ILE C C 45 180.273 180.273 177.693 2.580 18987 1457 1 3 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.997 1.053 18987 1458 1 3 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.465 1.285 18987 1459 1 3 . 1 1 45 45 ILE H H 45 8.100 8.100 7.822 0.278 18987 1460 1 3 . 1 1 46 46 ILE N N 46 123.392 123.392 120.969 2.423 18987 1461 1 3 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.928 -0.403 18987 1462 1 3 . 1 1 46 46 ILE C C 46 178.509 178.509 177.532 0.977 18987 1463 1 3 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.802 1.008 18987 1464 1 3 . 1 1 46 46 ILE CB C 46 38.110 38.110 38.006 0.104 18987 1465 1 3 . 1 1 46 46 ILE H H 46 8.778 8.778 8.279 0.499 18987 1466 1 3 . 1 1 47 47 ALA N N 47 123.336 123.336 121.115 2.221 18987 1467 1 3 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.117 -0.069 18987 1468 1 3 . 1 1 47 47 ALA C C 47 180.114 180.114 179.242 0.872 18987 1469 1 3 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.762 0.138 18987 1470 1 3 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.494 -0.164 18987 1471 1 3 . 1 1 47 47 ALA H H 47 8.232 8.232 7.844 0.388 18987 1472 1 3 . 1 1 48 48 ASN N N 48 114.090 114.090 115.520 -1.430 18987 1473 1 3 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.784 -0.293 18987 1474 1 3 . 1 1 48 48 ASN C C 48 177.776 177.776 177.555 0.221 18987 1475 1 3 . 1 1 48 48 ASN CA C 48 55.070 55.070 55.631 -0.561 18987 1476 1 3 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.466 -0.796 18987 1477 1 3 . 1 1 48 48 ASN H H 48 8.464 8.464 8.111 0.353 18987 1478 1 3 . 1 1 49 49 THR N N 49 106.742 106.742 109.547 -2.805 18987 1479 1 3 . 1 1 49 49 THR HA H 49 4.471 4.471 4.618 -0.147 18987 1480 1 3 . 1 1 49 49 THR C C 49 176.968 176.968 176.141 0.827 18987 1481 1 3 . 1 1 49 49 THR CA C 49 62.550 62.550 63.499 -0.949 18987 1482 1 3 . 1 1 49 49 THR CB C 49 72.150 72.150 70.414 1.736 18987 1483 1 3 . 1 1 49 49 THR H H 49 8.035 8.035 8.060 -0.025 18987 1484 1 3 . 1 1 50 50 GLY N N 50 112.246 112.246 111.516 0.730 18987 1485 1 3 . 1 1 50 50 GLY C C 50 174.055 174.055 174.548 -0.493 18987 1486 1 3 . 1 1 50 50 GLY CA C 50 45.940 45.940 45.199 0.741 18987 1487 1 3 . 1 1 50 50 GLY H H 50 8.323 8.323 7.754 0.569 18987 1488 1 3 . 1 1 51 51 VAL N N 51 121.212 121.212 120.250 0.962 18987 1489 1 3 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.195 -0.320 18987 1490 1 3 . 1 1 51 51 VAL C C 51 173.120 173.120 175.606 -2.486 18987 1491 1 3 . 1 1 51 51 VAL CA C 51 61.380 61.380 61.267 0.112 18987 1492 1 3 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.298 -1.408 18987 1493 1 3 . 1 1 51 51 VAL H H 51 7.429 7.429 7.465 -0.036 18987 1494 1 3 . 1 1 52 52 GLU N N 52 126.158 126.158 126.291 -0.133 18987 1495 1 3 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.260 -0.151 18987 1496 1 3 . 1 1 52 52 GLU C C 52 178.190 178.190 176.636 1.554 18987 1497 1 3 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.935 -0.695 18987 1498 1 3 . 1 1 52 52 GLU CB C 52 30.190 30.190 29.675 0.515 18987 1499 1 3 . 1 1 52 52 GLU H H 52 7.881 7.881 8.562 -0.681 18987 1500 1 3 . 1 1 53 53 ILE N N 53 125.807 125.807 125.237 0.570 18987 1501 1 3 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.886 -0.462 18987 1502 1 3 . 1 1 53 53 ILE C C 53 177.425 177.425 177.133 0.292 18987 1503 1 3 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.488 2.292 18987 1504 1 3 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.124 -0.164 18987 1505 1 3 . 1 1 53 53 ILE H H 53 8.430 8.430 8.658 -0.228 18987 1506 1 3 . 1 1 54 54 ASN N N 54 116.588 116.588 119.005 -2.417 18987 1507 1 3 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.626 -0.170 18987 1508 1 3 . 1 1 54 54 ASN C C 54 178.807 178.807 176.730 2.077 18987 1509 1 3 . 1 1 54 54 ASN CA C 54 55.770 55.770 56.575 -0.805 18987 1510 1 3 . 1 1 54 54 ASN CB C 54 37.140 37.140 38.340 -1.200 18987 1511 1 3 . 1 1 54 54 ASN H H 54 8.585 8.585 8.654 -0.069 18987 1512 1 3 . 1 1 55 55 LYS N N 55 117.013 117.013 116.885 0.128 18987 1513 1 3 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.165 -0.063 18987 1514 1 3 . 1 1 55 55 LYS C C 55 176.819 176.819 176.992 -0.173 18987 1515 1 3 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.044 -0.484 18987 1516 1 3 . 1 1 55 55 LYS CB C 55 32.180 32.180 31.662 0.518 18987 1517 1 3 . 1 1 55 55 LYS H H 55 7.661 7.661 7.585 0.076 18987 1518 1 3 . 1 1 56 56 LEU N N 56 114.768 114.768 118.969 -4.201 18987 1519 1 3 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.317 -0.390 18987 1520 1 3 . 1 1 56 56 LEU C C 56 176.702 176.702 176.659 0.043 18987 1521 1 3 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.187 0.733 18987 1522 1 3 . 1 1 56 56 LEU CB C 56 42.020 42.020 42.024 -0.004 18987 1523 1 3 . 1 1 56 56 LEU H H 56 7.690 7.690 7.282 0.408 18987 1524 1 3 . 1 1 57 57 PHE N N 57 114.558 114.558 118.307 -3.749 18987 1525 1 3 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.808 -0.360 18987 1526 1 3 . 1 1 57 57 PHE C C 57 176.319 176.319 176.771 -0.452 18987 1527 1 3 . 1 1 57 57 PHE CA C 57 58.470 58.470 58.863 -0.393 18987 1528 1 3 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.927 0.773 18987 1529 1 3 . 1 1 57 57 PHE H H 57 7.032 7.032 7.736 -0.704 18987 1530 1 3 . 1 1 58 58 ASN N N 58 118.674 118.674 121.728 -3.054 18987 1531 1 3 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.657 -0.171 18987 1532 1 3 . 1 1 58 58 ASN CA C 58 51.540 51.540 53.420 -1.880 18987 1533 1 3 . 1 1 58 58 ASN CB C 58 36.910 36.910 38.530 -1.620 18987 1534 1 3 . 1 1 58 58 ASN H H 58 8.659 8.659 8.740 -0.081 18987 1535 1 3 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.196 0.366 18987 1536 1 3 . 1 1 60 60 HIS C C 60 176.309 176.309 174.683 1.626 18987 1537 1 3 . 1 1 60 60 HIS CA C 60 55.920 55.920 56.045 -0.125 18987 1538 1 3 . 1 1 60 60 HIS CB C 60 30.890 30.890 28.308 2.582 18987 1539 1 3 . 1 1 61 61 GLY N N 61 106.925 106.925 104.728 2.197 18987 1540 1 3 . 1 1 61 61 GLY CA C 61 45.180 45.180 44.632 0.548 18987 1541 1 3 . 1 1 61 61 GLY H H 61 7.284 7.284 7.782 -0.498 18987 1542 1 3 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.567 -0.519 18987 1543 1 3 . 1 1 63 63 LYS C C 63 177.435 177.435 178.325 -0.890 18987 1544 1 3 . 1 1 63 63 LYS CA C 63 58.300 58.300 57.240 1.060 18987 1545 1 3 . 1 1 63 63 LYS CB C 63 31.160 31.160 33.622 -2.462 18987 1546 1 3 . 1 1 64 64 TYR N N 64 119.737 119.737 121.532 -1.795 18987 1547 1 3 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.051 -0.395 18987 1548 1 3 . 1 1 64 64 TYR C C 64 178.339 178.339 176.232 2.107 18987 1549 1 3 . 1 1 64 64 TYR CA C 64 61.610 61.610 62.748 -1.138 18987 1550 1 3 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.793 0.107 18987 1551 1 3 . 1 1 64 64 TYR H H 64 7.644 7.644 8.101 -0.457 18987 1552 1 3 . 1 1 65 65 ARG N N 65 118.236 118.236 116.754 1.482 18987 1553 1 3 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.244 -0.034 18987 1554 1 3 . 1 1 65 65 ARG C C 65 179.816 179.816 177.522 2.294 18987 1555 1 3 . 1 1 65 65 ARG CA C 65 59.090 59.090 57.797 1.293 18987 1556 1 3 . 1 1 65 65 ARG CB C 65 30.160 30.160 29.087 1.073 18987 1557 1 3 . 1 1 65 65 ARG H H 65 7.358 7.358 8.050 -0.692 18987 1558 1 3 . 1 1 66 66 GLU N N 66 123.063 123.063 120.383 2.680 18987 1559 1 3 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.187 -0.270 18987 1560 1 3 . 1 1 66 66 GLU C C 66 178.626 178.626 177.651 0.975 18987 1561 1 3 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.574 0.876 18987 1562 1 3 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.280 0.410 18987 1563 1 3 . 1 1 66 66 GLU H H 66 8.789 8.789 8.035 0.754 18987 1564 1 3 . 1 1 67 67 LEU N N 67 115.817 115.817 117.388 -1.571 18987 1565 1 3 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.369 -0.239 18987 1566 1 3 . 1 1 67 67 LEU C C 67 176.171 176.171 176.208 -0.037 18987 1567 1 3 . 1 1 67 67 LEU CA C 67 54.750 54.750 54.907 -0.157 18987 1568 1 3 . 1 1 67 67 LEU CB C 67 42.020 42.020 41.773 0.247 18987 1569 1 3 . 1 1 67 67 LEU H H 67 7.907 7.907 7.947 -0.040 18987 1570 1 3 . 1 1 68 68 ASP N N 68 118.063 118.063 116.027 2.036 18987 1571 1 3 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.239 0.175 18987 1572 1 3 . 1 1 68 68 ASP C C 68 177.521 177.521 176.657 0.864 18987 1573 1 3 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.971 -0.571 18987 1574 1 3 . 1 1 68 68 ASP CB C 68 39.640 39.640 38.943 0.697 18987 1575 1 3 . 1 1 68 68 ASP H H 68 7.878 7.878 7.965 -0.087 18987 1576 1 3 . 1 1 69 69 LEU N N 69 115.724 115.724 118.545 -2.821 18987 1577 1 3 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.706 -0.267 18987 1578 1 3 . 1 1 69 69 LEU C C 69 177.584 177.584 178.411 -0.827 18987 1579 1 3 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.354 0.126 18987 1580 1 3 . 1 1 69 69 LEU CB C 69 38.700 38.700 40.631 -1.931 18987 1581 1 3 . 1 1 69 69 LEU H H 69 7.285 7.285 7.644 -0.359 18987 1582 1 3 . 1 1 70 70 LYS N N 70 119.751 119.751 118.671 1.080 18987 1583 1 3 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.755 0.206 18987 1584 1 3 . 1 1 70 70 LYS C C 70 177.903 177.903 178.471 -0.568 18987 1585 1 3 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.736 0.744 18987 1586 1 3 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.727 0.253 18987 1587 1 3 . 1 1 70 70 LYS H H 70 8.601 8.601 7.766 0.835 18987 1588 1 3 . 1 1 71 71 ASN N N 71 113.386 113.386 116.954 -3.568 18987 1589 1 3 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.481 0.245 18987 1590 1 3 . 1 1 71 71 ASN C C 71 176.808 176.808 176.977 -0.169 18987 1591 1 3 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.774 -1.404 18987 1592 1 3 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.461 1.499 18987 1593 1 3 . 1 1 71 71 ASN H H 71 6.965 6.965 7.799 -0.834 18987 1594 1 3 . 1 1 72 72 LYS N N 72 118.475 118.475 118.780 -0.305 18987 1595 1 3 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.224 -0.075 18987 1596 1 3 . 1 1 72 72 LYS C C 72 178.849 178.849 178.168 0.681 18987 1597 1 3 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.261 -0.341 18987 1598 1 3 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.860 1.170 18987 1599 1 3 . 1 1 72 72 LYS H H 72 8.113 8.113 7.529 0.584 18987 1600 1 3 . 1 1 73 73 LEU N N 73 120.458 120.458 120.295 0.163 18987 1601 1 3 . 1 1 73 73 LEU HA H 73 3.599 3.599 3.952 -0.353 18987 1602 1 3 . 1 1 73 73 LEU C C 73 178.126 178.126 178.328 -0.202 18987 1603 1 3 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.245 1.585 18987 1604 1 3 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.610 -0.710 18987 1605 1 3 . 1 1 73 73 LEU H H 73 8.549 8.549 8.108 0.441 18987 1606 1 3 . 1 1 74 74 GLN N N 74 112.719 112.719 114.584 -1.865 18987 1607 1 3 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.185 -0.007 18987 1608 1 3 . 1 1 74 74 GLN C C 74 176.883 176.883 176.914 -0.031 18987 1609 1 3 . 1 1 74 74 GLN CA C 74 57.250 57.250 57.686 -0.436 18987 1610 1 3 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.144 0.286 18987 1611 1 3 . 1 1 74 74 GLN H H 74 7.918 7.918 7.773 0.145 18987 1612 1 3 . 1 1 75 75 THR N N 75 108.336 108.336 113.676 -5.340 18987 1613 1 3 . 1 1 75 75 THR HA H 75 4.410 4.410 4.448 -0.038 18987 1614 1 3 . 1 1 75 75 THR C C 75 174.619 174.619 174.862 -0.243 18987 1615 1 3 . 1 1 75 75 THR CA C 75 61.760 61.760 62.294 -0.534 18987 1616 1 3 . 1 1 75 75 THR CB C 75 69.950 69.950 69.736 0.214 18987 1617 1 3 . 1 1 75 75 THR H H 75 7.620 7.620 7.561 0.059 18987 1618 1 3 . 1 1 76 76 LEU N N 76 122.754 122.754 121.191 1.563 18987 1619 1 3 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.625 -0.137 18987 1620 1 3 . 1 1 76 76 LEU C C 76 177.234 177.234 176.009 1.225 18987 1621 1 3 . 1 1 76 76 LEU CA C 76 54.190 54.190 54.145 0.045 18987 1622 1 3 . 1 1 76 76 LEU CB C 76 44.040 44.040 42.386 1.653 18987 1623 1 3 . 1 1 76 76 LEU H H 76 7.191 7.191 7.596 -0.405 18987 1624 1 3 . 1 1 77 77 SER N N 77 119.431 119.431 113.167 6.264 18987 1625 1 3 . 1 1 77 77 SER HA H 77 4.465 4.465 4.658 -0.193 18987 1626 1 3 . 1 1 77 77 SER C C 77 175.320 175.320 174.903 0.417 18987 1627 1 3 . 1 1 77 77 SER CA C 77 57.360 57.360 57.170 0.190 18987 1628 1 3 . 1 1 77 77 SER CB C 77 65.080 65.080 64.912 0.168 18987 1629 1 3 . 1 1 77 77 SER H H 77 9.367 9.367 8.098 1.269 18987 1630 1 3 . 1 1 78 78 ASP N N 78 122.766 122.766 122.620 0.146 18987 1631 1 3 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.321 -0.126 18987 1632 1 3 . 1 1 78 78 ASP C C 78 178.211 178.211 178.084 0.127 18987 1633 1 3 . 1 1 78 78 ASP CA C 78 58.470 58.470 58.153 0.317 18987 1634 1 3 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.752 -1.292 18987 1635 1 3 . 1 1 78 78 ASP H H 78 9.055 9.055 8.852 0.203 18987 1636 1 3 . 1 1 79 79 ASP N N 79 117.917 117.917 119.264 -1.347 18987 1637 1 3 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.373 -0.098 18987 1638 1 3 . 1 1 79 79 ASP C C 79 179.179 179.179 177.938 1.241 18987 1639 1 3 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.431 0.569 18987 1640 1 3 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.816 -0.506 18987 1641 1 3 . 1 1 79 79 ASP H H 79 8.245 8.245 8.600 -0.355 18987 1642 1 3 . 1 1 80 80 GLU N N 80 120.229 120.229 119.354 0.875 18987 1643 1 3 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.287 -0.370 18987 1644 1 3 . 1 1 80 80 GLU C C 80 180.369 180.369 179.103 1.266 18987 1645 1 3 . 1 1 80 80 GLU CA C 80 59.300 59.300 59.003 0.297 18987 1646 1 3 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.409 1.511 18987 1647 1 3 . 1 1 80 80 GLU H H 80 7.732 7.732 7.652 0.080 18987 1648 1 3 . 1 1 81 81 LYS N N 81 120.163 120.163 119.697 0.466 18987 1649 1 3 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.308 -0.462 18987 1650 1 3 . 1 1 81 81 LYS C C 81 177.956 177.956 179.243 -1.287 18987 1651 1 3 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.471 1.469 18987 1652 1 3 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.593 1.027 18987 1653 1 3 . 1 1 81 81 LYS H H 81 8.340 8.340 7.455 0.885 18987 1654 1 3 . 1 1 82 82 LEU N N 82 117.478 117.478 119.635 -2.157 18987 1655 1 3 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.674 -0.001 18987 1656 1 3 . 1 1 82 82 LEU C C 82 178.870 178.870 178.804 0.066 18987 1657 1 3 . 1 1 82 82 LEU CA C 82 57.770 57.770 58.243 -0.473 18987 1658 1 3 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.544 0.206 18987 1659 1 3 . 1 1 82 82 LEU H H 82 8.161 8.161 8.067 0.094 18987 1660 1 3 . 1 1 83 83 GLU N N 83 119.824 119.824 119.490 0.334 18987 1661 1 3 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.978 -0.238 18987 1662 1 3 . 1 1 83 83 GLU C C 83 179.009 179.009 179.425 -0.416 18987 1663 1 3 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.489 -0.009 18987 1664 1 3 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.493 -0.153 18987 1665 1 3 . 1 1 83 83 GLU H H 83 7.999 7.999 7.925 0.074 18987 1666 1 3 . 1 1 84 84 LEU N N 84 119.684 119.684 119.945 -0.261 18987 1667 1 3 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.957 -0.015 18987 1668 1 3 . 1 1 84 84 LEU C C 84 179.264 179.264 179.157 0.107 18987 1669 1 3 . 1 1 84 84 LEU CA C 84 58.090 58.090 57.904 0.186 18987 1670 1 3 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.843 0.467 18987 1671 1 3 . 1 1 84 84 LEU H H 84 7.470 7.470 7.800 -0.330 18987 1672 1 3 . 1 1 85 85 LEU N N 85 119.086 119.086 118.537 0.549 18987 1673 1 3 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.705 -0.321 18987 1674 1 3 . 1 1 85 85 LEU C C 85 176.064 176.064 179.128 -3.064 18987 1675 1 3 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.202 0.658 18987 1676 1 3 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.051 1.308 18987 1677 1 3 . 1 1 85 85 LEU H H 85 7.726 7.726 7.691 0.035 18987 1678 1 3 . 1 1 86 86 SER N N 86 105.708 105.708 113.000 -7.292 18987 1679 1 3 . 1 1 86 86 SER HA H 86 4.283 4.283 4.786 -0.503 18987 1680 1 3 . 1 1 86 86 SER C C 86 176.351 176.351 175.907 0.444 18987 1681 1 3 . 1 1 86 86 SER CA C 86 60.380 60.380 60.352 0.028 18987 1682 1 3 . 1 1 86 86 SER CB C 86 64.400 64.400 63.333 1.067 18987 1683 1 3 . 1 1 86 86 SER H H 86 7.617 7.617 7.934 -0.317 18987 1684 1 3 . 1 1 87 87 SER N N 87 115.392 115.392 115.654 -0.262 18987 1685 1 3 . 1 1 87 87 SER HA H 87 4.345 4.345 4.394 -0.049 18987 1686 1 3 . 1 1 87 87 SER C C 87 174.534 174.534 174.347 0.187 18987 1687 1 3 . 1 1 87 87 SER CA C 87 59.820 59.820 60.734 -0.914 18987 1688 1 3 . 1 1 87 87 SER CB C 87 64.340 64.340 63.964 0.376 18987 1689 1 3 . 1 1 87 87 SER H H 87 7.644 7.644 7.918 -0.274 18987 1690 1 3 . 1 1 88 88 ASP N N 88 120.295 120.295 119.994 0.301 18987 1691 1 3 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.771 -0.167 18987 1692 1 3 . 1 1 88 88 ASP C C 88 175.618 175.618 176.026 -0.408 18987 1693 1 3 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.286 0.723 18987 1694 1 3 . 1 1 88 88 ASP CB C 88 41.020 41.020 42.848 -1.828 18987 1695 1 3 . 1 1 88 88 ASP H H 88 7.104 7.104 7.656 -0.552 18987 1696 1 3 . 1 1 89 89 GLY N N 89 111.841 111.841 111.839 0.002 18987 1697 1 3 . 1 1 89 89 GLY C C 89 176.171 176.171 175.049 1.122 18987 1698 1 3 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.450 1.230 18987 1699 1 3 . 1 1 89 89 GLY H H 89 9.325 9.325 8.843 0.482 18987 1700 1 3 . 1 1 90 90 MET N N 90 117.877 117.877 117.591 0.286 18987 1701 1 3 . 1 1 90 90 MET HA H 90 4.075 4.075 4.426 -0.351 18987 1702 1 3 . 1 1 90 90 MET C C 90 178.456 178.456 177.740 0.716 18987 1703 1 3 . 1 1 90 90 MET CA C 90 56.400 56.400 55.806 0.594 18987 1704 1 3 . 1 1 90 90 MET CB C 90 30.540 30.540 32.172 -1.632 18987 1705 1 3 . 1 1 90 90 MET H H 90 8.593 8.593 7.685 0.908 18987 1706 1 3 . 1 1 91 91 LEU N N 91 118.027 118.027 119.643 -1.616 18987 1707 1 3 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.140 0.139 18987 1708 1 3 . 1 1 91 91 LEU C C 91 176.298 176.298 176.538 -0.240 18987 1709 1 3 . 1 1 91 91 LEU CA C 91 55.460 55.460 56.419 -0.959 18987 1710 1 3 . 1 1 91 91 LEU CB C 91 43.130 43.130 42.213 0.917 18987 1711 1 3 . 1 1 91 91 LEU H H 91 8.224 8.224 7.632 0.592 18987 1712 1 3 . 1 1 92 92 VAL N N 92 120.960 120.960 117.039 3.921 18987 1713 1 3 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.280 -0.279 18987 1714 1 3 . 1 1 92 92 VAL C C 92 175.990 175.990 176.227 -0.237 18987 1715 1 3 . 1 1 92 92 VAL CA C 92 61.150 61.150 61.720 -0.570 18987 1716 1 3 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.658 -0.388 18987 1717 1 3 . 1 1 92 92 VAL H H 92 7.093 7.093 7.053 0.040 18987 1718 1 3 . 1 1 93 93 LYS N N 93 130.687 130.687 125.915 4.772 18987 1719 1 3 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.207 -0.501 18987 1720 1 3 . 1 1 93 93 LYS C C 93 171.855 171.855 177.123 -5.268 18987 1721 1 3 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.326 1.594 18987 1722 1 3 . 1 1 93 93 LYS CB C 93 32.800 32.800 31.262 1.538 18987 1723 1 3 . 1 1 93 93 LYS H H 93 8.442 8.442 8.240 0.202 18987 1724 1 3 . 1 1 94 94 ARG N N 94 115.791 115.791 123.920 -8.129 18987 1725 1 3 . 1 1 94 94 ARG H H 94 7.676 7.676 8.262 -0.586 18987 1726 1 3 . 1 1 95 95 PRO C C 95 175.108 175.108 175.454 -0.346 18987 1727 1 3 . 1 1 96 96 LEU N N 96 128.494 128.494 126.071 2.423 18987 1728 1 3 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.339 -0.358 18987 1729 1 3 . 1 1 96 96 LEU C C 96 173.216 173.216 174.127 -0.911 18987 1730 1 3 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.953 0.917 18987 1731 1 3 . 1 1 96 96 LEU CB C 96 43.660 43.660 46.842 -3.182 18987 1732 1 3 . 1 1 96 96 LEU H H 96 8.246 8.246 8.568 -0.322 18987 1733 1 3 . 1 1 97 97 ALA N N 97 131.035 131.035 127.298 3.737 18987 1734 1 3 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.340 0.530 18987 1735 1 3 . 1 1 97 97 ALA C C 97 174.938 174.938 174.893 0.045 18987 1736 1 3 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.128 -1.278 18987 1737 1 3 . 1 1 97 97 ALA CB C 97 20.070 20.070 22.335 -2.265 18987 1738 1 3 . 1 1 97 97 ALA H H 97 8.839 8.839 9.133 -0.294 18987 1739 1 3 . 1 1 98 98 VAL N N 98 119.830 119.830 124.233 -4.403 18987 1740 1 3 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.462 0.094 18987 1741 1 3 . 1 1 98 98 VAL C C 98 173.896 173.896 173.571 0.325 18987 1742 1 3 . 1 1 98 98 VAL CA C 98 59.270 59.270 59.730 -0.460 18987 1743 1 3 . 1 1 98 98 VAL CB C 98 35.970 35.970 36.673 -0.703 18987 1744 1 3 . 1 1 98 98 VAL H H 98 8.824 8.824 8.781 0.043 18987 1745 1 3 . 1 1 99 99 MET N N 99 127.537 127.537 123.297 4.240 18987 1746 1 3 . 1 1 99 99 MET HA H 99 4.430 4.430 4.976 -0.546 18987 1747 1 3 . 1 1 99 99 MET CA C 99 56.710 56.710 53.707 3.003 18987 1748 1 3 . 1 1 99 99 MET CB C 99 31.050 31.050 36.583 -5.532 18987 1749 1 3 . 1 1 99 99 MET H H 99 8.873 8.873 8.999 -0.126 18987 1750 1 3 . 1 1 100 100 GLY C C 100 173.024 173.024 174.789 -1.765 18987 1751 1 3 . 1 1 100 100 GLY CA C 100 47.970 47.970 47.120 0.850 18987 1752 1 3 . 1 1 101 101 ASP N N 101 124.308 124.308 118.210 6.098 18987 1753 1 3 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.724 -0.525 18987 1754 1 3 . 1 1 101 101 ASP C C 101 175.172 175.172 176.413 -1.241 18987 1755 1 3 . 1 1 101 101 ASP CA C 101 53.310 53.310 55.816 -2.506 18987 1756 1 3 . 1 1 101 101 ASP CB C 101 40.170 40.170 41.355 -1.185 18987 1757 1 3 . 1 1 101 101 ASP H H 101 8.257 8.257 8.326 -0.069 18987 1758 1 3 . 1 1 102 102 LYS N N 102 121.002 121.002 117.620 3.382 18987 1759 1 3 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.700 -0.294 18987 1760 1 3 . 1 1 102 102 LYS C C 102 174.257 174.257 174.589 -0.332 18987 1761 1 3 . 1 1 102 102 LYS CA C 102 55.370 55.370 54.752 0.618 18987 1762 1 3 . 1 1 102 102 LYS CB C 102 36.230 36.230 35.658 0.572 18987 1763 1 3 . 1 1 102 102 LYS H H 102 8.108 8.108 7.964 0.144 18987 1764 1 3 . 1 1 103 103 ILE N N 103 118.488 118.488 119.420 -0.932 18987 1765 1 3 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.235 0.624 18987 1766 1 3 . 1 1 103 103 ILE C C 103 173.652 173.652 174.102 -0.450 18987 1767 1 3 . 1 1 103 103 ILE CA C 103 58.620 58.620 60.146 -1.526 18987 1768 1 3 . 1 1 103 103 ILE CB C 103 42.250 42.250 41.773 0.477 18987 1769 1 3 . 1 1 103 103 ILE H H 103 8.038 8.038 8.251 -0.213 18987 1770 1 3 . 1 1 104 104 THR N N 104 115.441 115.441 116.100 -0.659 18987 1771 1 3 . 1 1 104 104 THR HA H 104 4.524 4.524 4.705 -0.181 18987 1772 1 3 . 1 1 104 104 THR C C 104 173.503 173.503 172.700 0.803 18987 1773 1 3 . 1 1 104 104 THR CA C 104 60.660 60.660 60.507 0.153 18987 1774 1 3 . 1 1 104 104 THR CB C 104 72.460 72.460 71.917 0.543 18987 1775 1 3 . 1 1 104 104 THR H H 104 9.360 9.360 9.281 0.079 18987 1776 1 3 . 1 1 105 105 LEU N N 105 123.352 123.352 126.946 -3.594 18987 1777 1 3 . 1 1 105 105 LEU HA H 105 5.023 5.023 4.657 0.366 18987 1778 1 3 . 1 1 105 105 LEU C C 105 178.860 178.860 178.292 0.568 18987 1779 1 3 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.931 -1.891 18987 1780 1 3 . 1 1 105 105 LEU CB C 105 44.290 44.290 43.245 1.045 18987 1781 1 3 . 1 1 105 105 LEU H H 105 8.857 8.857 8.551 0.306 18987 1782 1 3 . 1 1 106 106 GLY N N 106 108.363 108.363 113.169 -4.806 18987 1783 1 3 . 1 1 106 106 GLY C C 106 172.100 172.100 173.154 -1.054 18987 1784 1 3 . 1 1 106 106 GLY CA C 106 44.870 44.870 44.774 0.096 18987 1785 1 3 . 1 1 106 106 GLY H H 106 8.241 8.241 8.564 -0.323 18987 1786 1 3 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.576 0.112 18987 1787 1 3 . 1 1 107 107 PHE CA C 107 58.000 58.000 57.285 0.715 18987 1788 1 3 . 1 1 107 107 PHE CB C 107 41.620 41.620 38.984 2.636 18987 1789 1 3 . 1 1 108 108 LYS N N 108 129.677 129.677 128.240 1.437 18987 1790 1 3 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.145 -0.243 18987 1791 1 3 . 1 1 108 108 LYS CA C 108 54.650 54.650 54.056 0.594 18987 1792 1 3 . 1 1 108 108 LYS CB C 108 34.130 34.130 31.403 2.727 18987 1793 1 3 . 1 1 108 108 LYS H H 108 7.351 7.351 7.272 0.079 18987 1794 1 3 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.269 -0.309 18987 1795 1 3 . 1 1 109 109 GLU C C 109 177.255 177.255 176.613 0.642 18987 1796 1 3 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.905 0.935 18987 1797 1 3 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.227 0.073 18987 1798 1 3 . 1 1 110 110 ASP N N 110 115.831 115.831 118.481 -2.650 18987 1799 1 3 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.208 -0.051 18987 1800 1 3 . 1 1 110 110 ASP C C 110 178.456 178.456 178.497 -0.041 18987 1801 1 3 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.776 -0.866 18987 1802 1 3 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.358 -1.148 18987 1803 1 3 . 1 1 110 110 ASP H H 110 8.654 8.654 8.467 0.187 18987 1804 1 3 . 1 1 111 111 GLN N N 111 119.458 119.458 118.008 1.450 18987 1805 1 3 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.922 0.159 18987 1806 1 3 . 1 1 111 111 GLN C C 111 179.189 179.189 178.295 0.894 18987 1807 1 3 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.346 -0.206 18987 1808 1 3 . 1 1 111 111 GLN CB C 111 28.850 28.850 27.971 0.879 18987 1809 1 3 . 1 1 111 111 GLN H H 111 6.993 6.993 8.336 -1.343 18987 1810 1 3 . 1 1 112 112 TYR N N 112 124.973 124.973 119.145 5.828 18987 1811 1 3 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.219 -0.292 18987 1812 1 3 . 1 1 112 112 TYR C C 112 178.254 178.254 178.055 0.199 18987 1813 1 3 . 1 1 112 112 TYR CA C 112 62.690 62.690 59.903 2.788 18987 1814 1 3 . 1 1 112 112 TYR CB C 112 36.660 36.660 37.630 -0.970 18987 1815 1 3 . 1 1 112 112 TYR H H 112 8.289 8.289 8.103 0.186 18987 1816 1 3 . 1 1 113 113 LYS N N 113 118.329 118.329 118.794 -0.465 18987 1817 1 3 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.173 -0.260 18987 1818 1 3 . 1 1 113 113 LYS C C 113 178.296 178.296 178.240 0.056 18987 1819 1 3 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.756 1.324 18987 1820 1 3 . 1 1 113 113 LYS CB C 113 32.810 32.810 32.129 0.681 18987 1821 1 3 . 1 1 113 113 LYS H H 113 8.310 8.310 8.075 0.235 18987 1822 1 3 . 1 1 114 114 GLU N N 114 115.605 115.605 118.535 -2.930 18987 1823 1 3 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.266 -0.370 18987 1824 1 3 . 1 1 114 114 GLU C C 114 177.308 177.308 177.892 -0.584 18987 1825 1 3 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.577 -0.267 18987 1826 1 3 . 1 1 114 114 GLU CB C 114 30.140 30.140 30.042 0.098 18987 1827 1 3 . 1 1 114 114 GLU H H 114 7.603 7.603 7.907 -0.304 18987 1828 1 3 . 1 1 115 115 THR N N 115 112.256 112.256 114.223 -1.967 18987 1829 1 3 . 1 1 115 115 THR HA H 115 3.666 3.666 4.228 -0.562 18987 1830 1 3 . 1 1 115 115 THR C C 115 174.672 174.672 175.655 -0.983 18987 1831 1 3 . 1 1 115 115 THR CA C 115 65.710 65.710 64.047 1.663 18987 1832 1 3 . 1 1 115 115 THR CB C 115 68.700 68.700 69.192 -0.492 18987 1833 1 3 . 1 1 115 115 THR H H 115 7.591 7.591 8.012 -0.421 18987 1834 1 3 . 1 1 116 116 TRP N N 116 116.495 116.495 120.365 -3.870 18987 1835 1 3 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.413 0.890 18987 1836 1 3 . 1 1 116 116 TRP C C 116 176.553 176.553 176.811 -0.258 18987 1837 1 3 . 1 1 116 116 TRP CA C 116 55.620 55.620 58.037 -2.417 18987 1838 1 3 . 1 1 116 116 TRP CB C 116 31.430 31.430 29.592 1.838 18987 1839 1 3 . 1 1 116 116 TRP H H 116 7.661 7.661 7.537 0.124 18987 1840 1 3 . 1 1 117 117 LEU N N 117 116.588 116.588 116.349 0.239 18987 1841 1 3 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.398 0.204 18987 1842 1 3 . 1 1 117 117 LEU C C 117 175.788 175.788 176.907 -1.119 18987 1843 1 3 . 1 1 117 117 LEU CA C 117 53.860 53.860 54.581 -0.721 18987 1844 1 3 . 1 1 117 117 LEU CB C 117 40.880 40.880 42.286 -1.406 18987 1845 1 3 . 1 1 117 117 LEU H H 117 6.922 6.922 7.527 -0.605 18987 1846 1 4 . 1 1 2 2 ILE N N 2 124.348 124.348 121.962 2.386 18987 1847 1 4 . 1 1 2 2 ILE HA H 2 3.576 3.576 3.757 -0.181 18987 1848 1 4 . 1 1 2 2 ILE C C 2 175.884 175.884 175.521 0.363 18987 1849 1 4 . 1 1 2 2 ILE CA C 2 62.790 62.790 62.256 0.534 18987 1850 1 4 . 1 1 2 2 ILE CB C 2 40.400 40.400 36.424 3.976 18987 1851 1 4 . 1 1 2 2 ILE H H 2 7.539 7.539 8.259 -0.720 18987 1852 1 4 . 1 1 3 3 LYS N N 3 128.600 128.600 128.343 0.257 18987 1853 1 4 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.123 0.212 18987 1854 1 4 . 1 1 3 3 LYS C C 3 173.322 173.322 175.677 -2.355 18987 1855 1 4 . 1 1 3 3 LYS CA C 3 56.630 56.630 55.535 1.095 18987 1856 1 4 . 1 1 3 3 LYS CB C 3 32.800 32.800 31.202 1.598 18987 1857 1 4 . 1 1 3 3 LYS H H 3 8.524 8.524 8.360 0.164 18987 1858 1 4 . 1 1 4 4 PHE N N 4 128.560 128.560 127.425 1.135 18987 1859 1 4 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.792 0.043 18987 1860 1 4 . 1 1 4 4 PHE C C 4 172.546 172.546 174.309 -1.763 18987 1861 1 4 . 1 1 4 4 PHE CA C 4 56.570 56.570 55.775 0.795 18987 1862 1 4 . 1 1 4 4 PHE CB C 4 42.600 42.600 38.859 3.741 18987 1863 1 4 . 1 1 4 4 PHE H H 4 8.412 8.412 8.027 0.385 18987 1864 1 4 . 1 1 5 5 TYR N N 5 125.785 125.785 127.412 -1.627 18987 1865 1 4 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.052 0.074 18987 1866 1 4 . 1 1 5 5 TYR C C 5 175.852 175.852 175.138 0.714 18987 1867 1 4 . 1 1 5 5 TYR CA C 5 57.980 57.980 58.214 -0.234 18987 1868 1 4 . 1 1 5 5 TYR CB C 5 38.550 38.550 39.053 -0.503 18987 1869 1 4 . 1 1 5 5 TYR H H 5 9.313 9.313 8.535 0.778 18987 1870 1 4 . 1 1 6 6 GLN N N 6 117.436 117.436 118.204 -0.768 18987 1871 1 4 . 1 1 6 6 GLN HA H 6 4.622 4.622 4.783 -0.161 18987 1872 1 4 . 1 1 6 6 GLN C C 6 171.951 171.951 173.419 -1.468 18987 1873 1 4 . 1 1 6 6 GLN CA C 6 53.430 53.430 54.525 -1.095 18987 1874 1 4 . 1 1 6 6 GLN CB C 6 30.490 30.490 32.462 -1.972 18987 1875 1 4 . 1 1 6 6 GLN H H 6 9.110 9.110 8.789 0.321 18987 1876 1 4 . 1 1 7 7 TYR N N 7 116.309 116.309 120.685 -4.376 18987 1877 1 4 . 1 1 7 7 TYR HA H 7 4.953 4.953 4.665 0.288 18987 1878 1 4 . 1 1 7 7 TYR CA C 7 56.130 56.130 58.948 -2.818 18987 1879 1 4 . 1 1 7 7 TYR CB C 7 42.860 42.860 41.294 1.567 18987 1880 1 4 . 1 1 7 7 TYR H H 7 7.075 7.075 8.601 -1.526 18987 1881 1 4 . 1 1 12 12 THR HA H 12 3.868 3.868 4.106 -0.238 18987 1882 1 4 . 1 1 12 12 THR C C 12 176.203 176.203 176.086 0.117 18987 1883 1 4 . 1 1 12 12 THR CA C 12 65.930 65.930 66.761 -0.831 18987 1884 1 4 . 1 1 12 12 THR CB C 12 68.630 68.630 68.373 0.257 18987 1885 1 4 . 1 1 13 13 CYS N N 13 116.721 116.721 120.895 -4.174 18987 1886 1 4 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.394 -0.163 18987 1887 1 4 . 1 1 13 13 CYS C C 13 174.938 174.938 176.240 -1.302 18987 1888 1 4 . 1 1 13 13 CYS CA C 13 63.790 63.790 62.800 0.990 18987 1889 1 4 . 1 1 13 13 CYS CB C 13 33.590 33.590 27.383 6.207 18987 1890 1 4 . 1 1 13 13 CYS H H 13 8.441 8.441 8.586 -0.145 18987 1891 1 4 . 1 1 14 14 LYS N N 14 119.429 119.429 119.020 0.409 18987 1892 1 4 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.063 -0.026 18987 1893 1 4 . 1 1 14 14 LYS C C 14 179.370 179.370 179.175 0.195 18987 1894 1 4 . 1 1 14 14 LYS CA C 14 59.150 59.150 58.815 0.336 18987 1895 1 4 . 1 1 14 14 LYS CB C 14 32.270 32.270 31.887 0.383 18987 1896 1 4 . 1 1 14 14 LYS H H 14 7.805 7.805 8.242 -0.437 18987 1897 1 4 . 1 1 15 15 LYS N N 15 119.379 119.379 119.296 0.083 18987 1898 1 4 . 1 1 15 15 LYS HA H 15 3.677 3.677 4.024 -0.347 18987 1899 1 4 . 1 1 15 15 LYS C C 15 177.999 177.999 179.062 -1.063 18987 1900 1 4 . 1 1 15 15 LYS CA C 15 59.270 59.270 58.904 0.366 18987 1901 1 4 . 1 1 15 15 LYS CB C 15 32.630 32.630 31.772 0.858 18987 1902 1 4 . 1 1 15 15 LYS H H 15 7.612 7.612 7.329 0.283 18987 1903 1 4 . 1 1 16 16 ALA N N 16 122.940 122.940 121.232 1.708 18987 1904 1 4 . 1 1 16 16 ALA HA H 16 2.906 2.906 4.255 -1.349 18987 1905 1 4 . 1 1 16 16 ALA C C 16 177.999 177.999 179.295 -1.296 18987 1906 1 4 . 1 1 16 16 ALA CA C 16 54.370 54.370 54.912 -0.542 18987 1907 1 4 . 1 1 16 16 ALA CB C 16 19.270 19.270 17.875 1.395 18987 1908 1 4 . 1 1 16 16 ALA H H 16 7.346 7.346 8.075 -0.729 18987 1909 1 4 . 1 1 17 17 ALA N N 17 120.093 120.093 120.308 -0.215 18987 1910 1 4 . 1 1 17 17 ALA HA H 17 2.965 2.965 2.902 0.063 18987 1911 1 4 . 1 1 17 17 ALA C C 17 178.466 178.466 179.040 -0.574 18987 1912 1 4 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.629 0.241 18987 1913 1 4 . 1 1 17 17 ALA CB C 17 17.270 17.270 18.050 -0.780 18987 1914 1 4 . 1 1 17 17 ALA H H 17 7.959 7.959 7.777 0.182 18987 1915 1 4 . 1 1 18 18 LYS N N 18 115.894 115.894 119.361 -3.467 18987 1916 1 4 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.130 -0.165 18987 1917 1 4 . 1 1 18 18 LYS C C 18 178.647 178.647 178.621 0.026 18987 1918 1 4 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.501 0.409 18987 1919 1 4 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.206 -0.026 18987 1920 1 4 . 1 1 18 18 LYS H H 18 7.565 7.565 7.942 -0.377 18987 1921 1 4 . 1 1 19 19 PHE N N 19 120.854 120.854 120.788 0.066 18987 1922 1 4 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.391 -0.152 18987 1923 1 4 . 1 1 19 19 PHE C C 19 176.925 176.925 177.452 -0.527 18987 1924 1 4 . 1 1 19 19 PHE CA C 19 61.730 61.730 60.733 0.997 18987 1925 1 4 . 1 1 19 19 PHE CB C 19 39.140 39.140 39.259 -0.119 18987 1926 1 4 . 1 1 19 19 PHE H H 19 7.496 7.496 7.899 -0.403 18987 1927 1 4 . 1 1 20 20 LEU N N 20 118.913 118.913 119.076 -0.163 18987 1928 1 4 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.672 0.226 18987 1929 1 4 . 1 1 20 20 LEU C C 20 179.657 179.657 178.798 0.859 18987 1930 1 4 . 1 1 20 20 LEU CA C 20 58.330 58.330 58.021 0.309 18987 1931 1 4 . 1 1 20 20 LEU CB C 20 40.460 40.460 41.118 -0.658 18987 1932 1 4 . 1 1 20 20 LEU H H 20 8.012 8.012 8.045 -0.033 18987 1933 1 4 . 1 1 21 21 ASP N N 21 118.448 118.448 118.450 -0.002 18987 1934 1 4 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.409 0.047 18987 1935 1 4 . 1 1 21 21 ASP C C 21 180.358 180.358 178.490 1.868 18987 1936 1 4 . 1 1 21 21 ASP CA C 21 57.680 57.680 57.225 0.455 18987 1937 1 4 . 1 1 21 21 ASP CB C 21 40.520 40.520 41.032 -0.512 18987 1938 1 4 . 1 1 21 21 ASP H H 21 8.814 8.814 8.168 0.646 18987 1939 1 4 . 1 1 22 22 GLU N N 22 122.661 122.661 119.545 3.116 18987 1940 1 4 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.071 -0.329 18987 1941 1 4 . 1 1 22 22 GLU C C 22 178.371 178.371 177.965 0.406 18987 1942 1 4 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.660 0.580 18987 1943 1 4 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.595 -0.815 18987 1944 1 4 . 1 1 22 22 GLU H H 22 8.544 8.544 7.776 0.768 18987 1945 1 4 . 1 1 23 23 TYR N N 23 114.768 114.768 116.100 -1.332 18987 1946 1 4 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.550 -0.300 18987 1947 1 4 . 1 1 23 23 TYR C C 23 175.724 175.724 175.192 0.532 18987 1948 1 4 . 1 1 23 23 TYR CA C 23 59.070 59.070 57.867 1.203 18987 1949 1 4 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.226 0.794 18987 1950 1 4 . 1 1 23 23 TYR H H 23 7.522 7.522 7.648 -0.126 18987 1951 1 4 . 1 1 24 24 GLY N N 24 110.449 110.449 108.278 2.171 18987 1952 1 4 . 1 1 24 24 GLY C C 24 174.534 174.534 174.599 -0.065 18987 1953 1 4 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.757 1.363 18987 1954 1 4 . 1 1 24 24 GLY H H 24 7.792 7.792 7.392 0.400 18987 1955 1 4 . 1 1 25 25 VAL N N 25 122.714 122.714 119.577 3.137 18987 1956 1 4 . 1 1 25 25 VAL HA H 25 3.959 3.959 4.173 -0.214 18987 1957 1 4 . 1 1 25 25 VAL C C 25 176.266 176.266 175.654 0.612 18987 1958 1 4 . 1 1 25 25 VAL CA C 25 62.000 62.000 61.512 0.488 18987 1959 1 4 . 1 1 25 25 VAL CB C 25 32.480 32.480 33.406 -0.925 18987 1960 1 4 . 1 1 25 25 VAL H H 25 8.393 8.393 8.013 0.380 18987 1961 1 4 . 1 1 26 26 SER N N 26 123.498 123.498 124.690 -1.192 18987 1962 1 4 . 1 1 26 26 SER HA H 26 4.351 4.351 4.498 -0.147 18987 1963 1 4 . 1 1 26 26 SER C C 26 173.513 173.513 173.154 0.359 18987 1964 1 4 . 1 1 26 26 SER CA C 26 59.040 59.040 58.199 0.841 18987 1965 1 4 . 1 1 26 26 SER CB C 26 63.530 63.530 62.719 0.811 18987 1966 1 4 . 1 1 26 26 SER H H 26 8.559 8.559 8.668 -0.109 18987 1967 1 4 . 1 1 27 27 TYR N N 27 119.756 119.756 122.907 -3.151 18987 1968 1 4 . 1 1 27 27 TYR HA H 27 4.983 4.983 5.052 -0.069 18987 1969 1 4 . 1 1 27 27 TYR C C 27 172.355 172.355 175.057 -2.702 18987 1970 1 4 . 1 1 27 27 TYR CA C 27 55.750 55.750 54.712 1.038 18987 1971 1 4 . 1 1 27 27 TYR CB C 27 40.730 40.730 40.706 0.024 18987 1972 1 4 . 1 1 27 27 TYR H H 27 7.838 7.838 7.713 0.125 18987 1973 1 4 . 1 1 28 28 GLU N N 28 123.126 123.126 119.549 3.577 18987 1974 1 4 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.740 -0.012 18987 1975 1 4 . 1 1 28 28 GLU CA C 28 51.420 51.420 52.240 -0.820 18987 1976 1 4 . 1 1 28 28 GLU CB C 28 31.790 31.790 31.719 0.071 18987 1977 1 4 . 1 1 28 28 GLU H H 28 9.006 9.006 8.833 0.173 18987 1978 1 4 . 1 1 29 29 PRO HA H 29 5.619 5.619 4.925 0.694 18987 1979 1 4 . 1 1 29 29 PRO C C 29 177.276 177.276 176.183 1.093 18987 1980 1 4 . 1 1 29 29 PRO CA C 29 61.820 61.820 62.844 -1.024 18987 1981 1 4 . 1 1 29 29 PRO CB C 29 31.890 31.890 31.042 0.848 18987 1982 1 4 . 1 1 30 30 ILE N N 30 127.043 127.043 119.383 7.660 18987 1983 1 4 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.474 -0.370 18987 1984 1 4 . 1 1 30 30 ILE C C 30 174.948 174.948 174.226 0.722 18987 1985 1 4 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.704 1.656 18987 1986 1 4 . 1 1 30 30 ILE CB C 30 42.210 42.210 40.928 1.282 18987 1987 1 4 . 1 1 30 30 ILE H H 30 9.148 9.148 8.180 0.968 18987 1988 1 4 . 1 1 31 31 ASP N N 31 128.946 128.946 123.026 5.920 18987 1989 1 4 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.494 -0.602 18987 1990 1 4 . 1 1 31 31 ASP C C 31 176.373 176.373 177.460 -1.087 18987 1991 1 4 . 1 1 31 31 ASP CA C 31 54.600 54.600 55.538 -0.938 18987 1992 1 4 . 1 1 31 31 ASP CB C 31 42.920 42.920 41.448 1.472 18987 1993 1 4 . 1 1 31 31 ASP H H 31 9.092 9.092 8.912 0.180 18987 1994 1 4 . 1 1 32 32 ILE N N 32 127.576 127.576 127.856 -0.280 18987 1995 1 4 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.151 -0.059 18987 1996 1 4 . 1 1 32 32 ILE C C 32 174.013 174.013 176.309 -2.296 18987 1997 1 4 . 1 1 32 32 ILE CA C 32 62.520 62.520 63.759 -1.239 18987 1998 1 4 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.597 2.153 18987 1999 1 4 . 1 1 32 32 ILE H H 32 9.362 9.362 8.409 0.953 18987 2000 1 4 . 1 1 33 33 VAL N N 33 123.498 123.498 117.552 5.946 18987 2001 1 4 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.872 -0.229 18987 2002 1 4 . 1 1 33 33 VAL C C 33 176.819 176.819 177.579 -0.760 18987 2003 1 4 . 1 1 33 33 VAL CA C 33 65.050 65.050 64.094 0.956 18987 2004 1 4 . 1 1 33 33 VAL CB C 33 31.970 31.970 30.950 1.020 18987 2005 1 4 . 1 1 33 33 VAL H H 33 8.445 8.445 7.895 0.550 18987 2006 1 4 . 1 1 34 34 GLN N N 34 119.897 119.897 118.211 1.686 18987 2007 1 4 . 1 1 34 34 GLN HA H 34 3.953 3.953 3.965 -0.012 18987 2008 1 4 . 1 1 34 34 GLN C C 34 176.734 176.734 175.776 0.958 18987 2009 1 4 . 1 1 34 34 GLN CA C 34 57.540 57.540 57.710 -0.170 18987 2010 1 4 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.028 0.832 18987 2011 1 4 . 1 1 34 34 GLN H H 34 8.650 8.650 8.125 0.525 18987 2012 1 4 . 1 1 35 35 HIS N N 35 118.090 118.090 117.524 0.566 18987 2013 1 4 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.911 0.053 18987 2014 1 4 . 1 1 35 35 HIS C C 35 173.758 173.758 173.820 -0.062 18987 2015 1 4 . 1 1 35 35 HIS CA C 35 53.660 53.660 54.212 -0.551 18987 2016 1 4 . 1 1 35 35 HIS CB C 35 29.190 29.190 29.736 -0.546 18987 2017 1 4 . 1 1 35 35 HIS H H 35 8.178 8.178 7.698 0.480 18987 2018 1 4 . 1 1 36 36 THR N N 36 118.794 118.794 118.846 -0.052 18987 2019 1 4 . 1 1 36 36 THR HA H 36 4.142 4.142 4.642 -0.500 18987 2020 1 4 . 1 1 36 36 THR CA C 36 62.080 62.080 61.239 0.841 18987 2021 1 4 . 1 1 36 36 THR CB C 36 70.180 70.180 69.126 1.054 18987 2022 1 4 . 1 1 36 36 THR H H 36 7.468 7.468 7.801 -0.333 18987 2023 1 4 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.473 -0.198 18987 2024 1 4 . 1 1 37 37 PRO C C 37 174.970 174.970 176.696 -1.726 18987 2025 1 4 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.420 0.550 18987 2026 1 4 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.921 -2.490 18987 2027 1 4 . 1 1 38 38 THR N N 38 111.512 111.512 112.712 -1.200 18987 2028 1 4 . 1 1 38 38 THR HA H 38 4.298 4.298 4.395 -0.097 18987 2029 1 4 . 1 1 38 38 THR C C 38 175.756 175.756 176.804 -1.048 18987 2030 1 4 . 1 1 38 38 THR CA C 38 60.700 60.700 61.002 -0.302 18987 2031 1 4 . 1 1 38 38 THR CB C 38 71.560 71.560 69.780 1.780 18987 2032 1 4 . 1 1 38 38 THR H H 38 8.220 8.220 7.831 0.389 18987 2033 1 4 . 1 1 39 39 ILE N N 39 119.950 119.950 120.441 -0.491 18987 2034 1 4 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.921 -0.244 18987 2035 1 4 . 1 1 39 39 ILE C C 39 177.871 177.871 177.778 0.093 18987 2036 1 4 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.245 1.855 18987 2037 1 4 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.589 0.551 18987 2038 1 4 . 1 1 39 39 ILE H H 39 8.763 8.763 8.514 0.249 18987 2039 1 4 . 1 1 40 40 ASN N N 40 116.189 116.189 117.372 -1.183 18987 2040 1 4 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.445 -0.096 18987 2041 1 4 . 1 1 40 40 ASN C C 40 178.445 178.445 177.617 0.828 18987 2042 1 4 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.392 -0.062 18987 2043 1 4 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.469 0.471 18987 2044 1 4 . 1 1 40 40 ASN H H 40 8.180 8.180 8.621 -0.441 18987 2045 1 4 . 1 1 41 41 GLU N N 41 121.970 121.970 120.717 1.253 18987 2046 1 4 . 1 1 41 41 GLU HA H 41 3.915 3.915 4.034 -0.119 18987 2047 1 4 . 1 1 41 41 GLU C C 41 180.093 180.093 179.009 1.084 18987 2048 1 4 . 1 1 41 41 GLU CA C 41 59.590 59.590 59.075 0.515 18987 2049 1 4 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.242 0.508 18987 2050 1 4 . 1 1 41 41 GLU H H 41 7.782 7.782 7.657 0.125 18987 2051 1 4 . 1 1 42 42 PHE N N 42 118.929 118.929 119.251 -0.322 18987 2052 1 4 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.138 0.032 18987 2053 1 4 . 1 1 42 42 PHE C C 42 178.488 178.488 177.536 0.952 18987 2054 1 4 . 1 1 42 42 PHE CA C 42 63.020 63.020 62.052 0.968 18987 2055 1 4 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.819 0.411 18987 2056 1 4 . 1 1 42 42 PHE H H 42 8.776 8.776 8.320 0.456 18987 2057 1 4 . 1 1 43 43 LYS N N 43 118.820 118.820 118.216 0.604 18987 2058 1 4 . 1 1 43 43 LYS HA H 43 3.795 3.795 4.029 -0.234 18987 2059 1 4 . 1 1 43 43 LYS C C 43 179.816 179.816 179.346 0.470 18987 2060 1 4 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.512 1.638 18987 2061 1 4 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.885 0.355 18987 2062 1 4 . 1 1 43 43 LYS H H 43 8.775 8.775 8.233 0.542 18987 2063 1 4 . 1 1 44 44 THR N N 44 118.754 118.754 117.732 1.022 18987 2064 1 4 . 1 1 44 44 THR HA H 44 3.894 3.894 4.058 -0.164 18987 2065 1 4 . 1 1 44 44 THR C C 44 175.214 175.214 176.557 -1.343 18987 2066 1 4 . 1 1 44 44 THR CA C 44 66.900 66.900 66.748 0.152 18987 2067 1 4 . 1 1 44 44 THR CB C 44 68.920 68.920 68.925 -0.005 18987 2068 1 4 . 1 1 44 44 THR H H 44 7.959 7.959 7.888 0.071 18987 2069 1 4 . 1 1 45 45 ILE N N 45 122.671 122.671 119.530 3.141 18987 2070 1 4 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.781 0.026 18987 2071 1 4 . 1 1 45 45 ILE C C 45 180.273 180.273 177.620 2.653 18987 2072 1 4 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.983 1.067 18987 2073 1 4 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.349 1.401 18987 2074 1 4 . 1 1 45 45 ILE H H 45 8.100 8.100 7.811 0.289 18987 2075 1 4 . 1 1 46 46 ILE N N 46 123.392 123.392 121.332 2.060 18987 2076 1 4 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.980 -0.455 18987 2077 1 4 . 1 1 46 46 ILE C C 46 178.509 178.509 178.472 0.037 18987 2078 1 4 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.690 1.120 18987 2079 1 4 . 1 1 46 46 ILE CB C 46 38.110 38.110 38.007 0.103 18987 2080 1 4 . 1 1 46 46 ILE H H 46 8.778 8.778 8.188 0.590 18987 2081 1 4 . 1 1 47 47 ALA N N 47 123.336 123.336 122.005 1.331 18987 2082 1 4 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.116 -0.068 18987 2083 1 4 . 1 1 47 47 ALA C C 47 180.114 180.114 178.893 1.221 18987 2084 1 4 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.808 0.092 18987 2085 1 4 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.265 0.065 18987 2086 1 4 . 1 1 47 47 ALA H H 47 8.232 8.232 7.912 0.320 18987 2087 1 4 . 1 1 48 48 ASN N N 48 114.090 114.090 116.607 -2.517 18987 2088 1 4 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.614 -0.124 18987 2089 1 4 . 1 1 48 48 ASN C C 48 177.776 177.776 177.815 -0.039 18987 2090 1 4 . 1 1 48 48 ASN CA C 48 55.070 55.070 55.068 0.002 18987 2091 1 4 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.195 -0.525 18987 2092 1 4 . 1 1 48 48 ASN H H 48 8.464 8.464 8.302 0.162 18987 2093 1 4 . 1 1 49 49 THR N N 49 106.742 106.742 109.931 -3.189 18987 2094 1 4 . 1 1 49 49 THR HA H 49 4.471 4.471 4.444 0.027 18987 2095 1 4 . 1 1 49 49 THR C C 49 176.968 176.968 176.168 0.800 18987 2096 1 4 . 1 1 49 49 THR CA C 49 62.550 62.550 63.262 -0.712 18987 2097 1 4 . 1 1 49 49 THR CB C 49 72.150 72.150 70.202 1.948 18987 2098 1 4 . 1 1 49 49 THR H H 49 8.035 8.035 8.014 0.021 18987 2099 1 4 . 1 1 50 50 GLY N N 50 112.246 112.246 111.643 0.603 18987 2100 1 4 . 1 1 50 50 GLY C C 50 174.055 174.055 174.533 -0.478 18987 2101 1 4 . 1 1 50 50 GLY CA C 50 45.940 45.940 45.265 0.675 18987 2102 1 4 . 1 1 50 50 GLY H H 50 8.323 8.323 7.873 0.450 18987 2103 1 4 . 1 1 51 51 VAL N N 51 121.212 121.212 119.520 1.692 18987 2104 1 4 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.146 -0.271 18987 2105 1 4 . 1 1 51 51 VAL C C 51 173.120 173.120 175.696 -2.576 18987 2106 1 4 . 1 1 51 51 VAL CA C 51 61.380 61.380 61.271 0.109 18987 2107 1 4 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.868 -1.978 18987 2108 1 4 . 1 1 51 51 VAL H H 51 7.429 7.429 7.495 -0.066 18987 2109 1 4 . 1 1 52 52 GLU N N 52 126.158 126.158 126.249 -0.091 18987 2110 1 4 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.308 -0.199 18987 2111 1 4 . 1 1 52 52 GLU C C 52 178.190 178.190 176.753 1.437 18987 2112 1 4 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.428 -0.188 18987 2113 1 4 . 1 1 52 52 GLU CB C 52 30.190 30.190 30.377 -0.187 18987 2114 1 4 . 1 1 52 52 GLU H H 52 7.881 7.881 8.464 -0.583 18987 2115 1 4 . 1 1 53 53 ILE N N 53 125.807 125.807 126.287 -0.480 18987 2116 1 4 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.897 -0.473 18987 2117 1 4 . 1 1 53 53 ILE C C 53 177.425 177.425 176.333 1.092 18987 2118 1 4 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.567 2.213 18987 2119 1 4 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.034 -0.074 18987 2120 1 4 . 1 1 53 53 ILE H H 53 8.430 8.430 8.820 -0.390 18987 2121 1 4 . 1 1 54 54 ASN N N 54 116.588 116.588 117.748 -1.160 18987 2122 1 4 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.715 -0.259 18987 2123 1 4 . 1 1 54 54 ASN C C 54 178.807 178.807 177.025 1.782 18987 2124 1 4 . 1 1 54 54 ASN CA C 54 55.770 55.770 56.577 -0.806 18987 2125 1 4 . 1 1 54 54 ASN CB C 54 37.140 37.140 38.385 -1.245 18987 2126 1 4 . 1 1 54 54 ASN H H 54 8.585 8.585 8.570 0.015 18987 2127 1 4 . 1 1 55 55 LYS N N 55 117.013 117.013 117.343 -0.330 18987 2128 1 4 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.187 -0.085 18987 2129 1 4 . 1 1 55 55 LYS C C 55 176.819 176.819 177.359 -0.540 18987 2130 1 4 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.028 -0.468 18987 2131 1 4 . 1 1 55 55 LYS CB C 55 32.180 32.180 31.680 0.500 18987 2132 1 4 . 1 1 55 55 LYS H H 55 7.661 7.661 7.902 -0.241 18987 2133 1 4 . 1 1 56 56 LEU N N 56 114.768 114.768 119.817 -5.049 18987 2134 1 4 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.232 -0.305 18987 2135 1 4 . 1 1 56 56 LEU C C 56 176.702 176.702 177.113 -0.411 18987 2136 1 4 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.879 0.041 18987 2137 1 4 . 1 1 56 56 LEU CB C 56 42.020 42.020 41.826 0.194 18987 2138 1 4 . 1 1 56 56 LEU H H 56 7.690 7.690 7.274 0.416 18987 2139 1 4 . 1 1 57 57 PHE N N 57 114.558 114.558 117.927 -3.369 18987 2140 1 4 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.682 -0.234 18987 2141 1 4 . 1 1 57 57 PHE C C 57 176.319 176.319 176.657 -0.338 18987 2142 1 4 . 1 1 57 57 PHE CA C 57 58.470 58.470 59.028 -0.558 18987 2143 1 4 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.852 0.848 18987 2144 1 4 . 1 1 57 57 PHE H H 57 7.032 7.032 7.782 -0.750 18987 2145 1 4 . 1 1 58 58 ASN N N 58 118.674 118.674 118.310 0.364 18987 2146 1 4 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.714 -0.228 18987 2147 1 4 . 1 1 58 58 ASN CA C 58 51.540 51.540 53.274 -1.734 18987 2148 1 4 . 1 1 58 58 ASN CB C 58 36.910 36.910 37.279 -0.369 18987 2149 1 4 . 1 1 58 58 ASN H H 58 8.659 8.659 8.775 -0.116 18987 2150 1 4 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.348 0.214 18987 2151 1 4 . 1 1 60 60 HIS C C 60 176.309 176.309 175.616 0.693 18987 2152 1 4 . 1 1 60 60 HIS CA C 60 55.920 55.920 55.879 0.041 18987 2153 1 4 . 1 1 60 60 HIS CB C 60 30.890 30.890 28.133 2.757 18987 2154 1 4 . 1 1 61 61 GLY N N 61 106.925 106.925 112.376 -5.451 18987 2155 1 4 . 1 1 61 61 GLY CA C 61 45.180 45.180 45.130 0.050 18987 2156 1 4 . 1 1 61 61 GLY H H 61 7.284 7.284 8.034 -0.750 18987 2157 1 4 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.061 -0.013 18987 2158 1 4 . 1 1 63 63 LYS C C 63 177.435 177.435 178.899 -1.464 18987 2159 1 4 . 1 1 63 63 LYS CA C 63 58.300 58.300 59.102 -0.802 18987 2160 1 4 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.566 -1.406 18987 2161 1 4 . 1 1 64 64 TYR N N 64 119.737 119.737 120.690 -0.953 18987 2162 1 4 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.126 -0.470 18987 2163 1 4 . 1 1 64 64 TYR C C 64 178.339 178.339 176.474 1.865 18987 2164 1 4 . 1 1 64 64 TYR CA C 64 61.610 61.610 61.821 -0.211 18987 2165 1 4 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.667 0.233 18987 2166 1 4 . 1 1 64 64 TYR H H 64 7.644 7.644 8.109 -0.465 18987 2167 1 4 . 1 1 65 65 ARG N N 65 118.236 118.236 115.728 2.508 18987 2168 1 4 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.351 -0.141 18987 2169 1 4 . 1 1 65 65 ARG C C 65 179.816 179.816 177.677 2.139 18987 2170 1 4 . 1 1 65 65 ARG CA C 65 59.090 59.090 56.879 2.211 18987 2171 1 4 . 1 1 65 65 ARG CB C 65 30.160 30.160 29.653 0.507 18987 2172 1 4 . 1 1 65 65 ARG H H 65 7.358 7.358 7.629 -0.271 18987 2173 1 4 . 1 1 66 66 GLU N N 66 123.063 123.063 120.854 2.209 18987 2174 1 4 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.192 -0.275 18987 2175 1 4 . 1 1 66 66 GLU C C 66 178.626 178.626 177.793 0.833 18987 2176 1 4 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.657 0.792 18987 2177 1 4 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.669 0.021 18987 2178 1 4 . 1 1 66 66 GLU H H 66 8.789 8.789 7.750 1.039 18987 2179 1 4 . 1 1 67 67 LEU N N 67 115.817 115.817 117.128 -1.311 18987 2180 1 4 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.252 -0.122 18987 2181 1 4 . 1 1 67 67 LEU C C 67 176.171 176.171 176.732 -0.561 18987 2182 1 4 . 1 1 67 67 LEU CA C 67 54.750 54.750 54.998 -0.248 18987 2183 1 4 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.541 -0.521 18987 2184 1 4 . 1 1 67 67 LEU H H 67 7.907 7.907 7.689 0.218 18987 2185 1 4 . 1 1 68 68 ASP N N 68 118.063 118.063 117.053 1.010 18987 2186 1 4 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.214 0.200 18987 2187 1 4 . 1 1 68 68 ASP C C 68 177.521 177.521 176.834 0.687 18987 2188 1 4 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.599 -0.199 18987 2189 1 4 . 1 1 68 68 ASP CB C 68 39.640 39.640 39.633 0.007 18987 2190 1 4 . 1 1 68 68 ASP H H 68 7.878 7.878 7.908 -0.030 18987 2191 1 4 . 1 1 69 69 LEU N N 69 115.724 115.724 118.620 -2.896 18987 2192 1 4 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.695 -0.256 18987 2193 1 4 . 1 1 69 69 LEU C C 69 177.584 177.584 178.009 -0.425 18987 2194 1 4 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.435 0.045 18987 2195 1 4 . 1 1 69 69 LEU CB C 69 38.700 38.700 41.093 -2.393 18987 2196 1 4 . 1 1 69 69 LEU H H 69 7.285 7.285 7.781 -0.496 18987 2197 1 4 . 1 1 70 70 LYS N N 70 119.751 119.751 118.481 1.270 18987 2198 1 4 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.655 0.306 18987 2199 1 4 . 1 1 70 70 LYS C C 70 177.903 177.903 178.312 -0.409 18987 2200 1 4 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.720 0.760 18987 2201 1 4 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.541 0.439 18987 2202 1 4 . 1 1 70 70 LYS H H 70 8.601 8.601 7.509 1.092 18987 2203 1 4 . 1 1 71 71 ASN N N 71 113.386 113.386 115.411 -2.025 18987 2204 1 4 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.581 0.145 18987 2205 1 4 . 1 1 71 71 ASN C C 71 176.808 176.808 176.884 -0.076 18987 2206 1 4 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.599 -1.229 18987 2207 1 4 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.686 1.274 18987 2208 1 4 . 1 1 71 71 ASN H H 71 6.965 6.965 7.708 -0.743 18987 2209 1 4 . 1 1 72 72 LYS N N 72 118.475 118.475 119.304 -0.829 18987 2210 1 4 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.144 0.005 18987 2211 1 4 . 1 1 72 72 LYS C C 72 178.849 178.849 178.521 0.328 18987 2212 1 4 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.553 -0.633 18987 2213 1 4 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.355 1.675 18987 2214 1 4 . 1 1 72 72 LYS H H 72 8.113 8.113 7.503 0.610 18987 2215 1 4 . 1 1 73 73 LEU N N 73 120.458 120.458 119.961 0.497 18987 2216 1 4 . 1 1 73 73 LEU HA H 73 3.599 3.599 4.000 -0.401 18987 2217 1 4 . 1 1 73 73 LEU C C 73 178.126 178.126 178.598 -0.472 18987 2218 1 4 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.333 1.497 18987 2219 1 4 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.706 -0.806 18987 2220 1 4 . 1 1 73 73 LEU H H 73 8.549 8.549 8.027 0.522 18987 2221 1 4 . 1 1 74 74 GLN N N 74 112.719 112.719 113.686 -0.967 18987 2222 1 4 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.105 0.073 18987 2223 1 4 . 1 1 74 74 GLN C C 74 176.883 176.883 176.934 -0.051 18987 2224 1 4 . 1 1 74 74 GLN CA C 74 57.250 57.250 57.880 -0.630 18987 2225 1 4 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.593 -0.163 18987 2226 1 4 . 1 1 74 74 GLN H H 74 7.918 7.918 7.732 0.186 18987 2227 1 4 . 1 1 75 75 THR N N 75 108.336 108.336 114.147 -5.811 18987 2228 1 4 . 1 1 75 75 THR HA H 75 4.410 4.410 4.466 -0.056 18987 2229 1 4 . 1 1 75 75 THR C C 75 174.619 174.619 175.263 -0.644 18987 2230 1 4 . 1 1 75 75 THR CA C 75 61.760 61.760 62.953 -1.193 18987 2231 1 4 . 1 1 75 75 THR CB C 75 69.950 69.950 69.882 0.067 18987 2232 1 4 . 1 1 75 75 THR H H 75 7.620 7.620 7.378 0.242 18987 2233 1 4 . 1 1 76 76 LEU N N 76 122.754 122.754 119.354 3.400 18987 2234 1 4 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.635 -0.147 18987 2235 1 4 . 1 1 76 76 LEU C C 76 177.234 177.234 176.056 1.178 18987 2236 1 4 . 1 1 76 76 LEU CA C 76 54.190 54.190 53.777 0.413 18987 2237 1 4 . 1 1 76 76 LEU CB C 76 44.040 44.040 42.754 1.286 18987 2238 1 4 . 1 1 76 76 LEU H H 76 7.191 7.191 7.657 -0.466 18987 2239 1 4 . 1 1 77 77 SER N N 77 119.431 119.431 114.901 4.530 18987 2240 1 4 . 1 1 77 77 SER HA H 77 4.465 4.465 4.553 -0.088 18987 2241 1 4 . 1 1 77 77 SER C C 77 175.320 175.320 175.665 -0.345 18987 2242 1 4 . 1 1 77 77 SER CA C 77 57.360 57.360 57.416 -0.056 18987 2243 1 4 . 1 1 77 77 SER CB C 77 65.080 65.080 65.038 0.042 18987 2244 1 4 . 1 1 77 77 SER H H 77 9.367 9.367 8.350 1.017 18987 2245 1 4 . 1 1 78 78 ASP N N 78 122.766 122.766 122.955 -0.189 18987 2246 1 4 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.376 -0.181 18987 2247 1 4 . 1 1 78 78 ASP C C 78 178.211 178.211 178.039 0.172 18987 2248 1 4 . 1 1 78 78 ASP CA C 78 58.470 58.470 58.434 0.036 18987 2249 1 4 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.814 -1.354 18987 2250 1 4 . 1 1 78 78 ASP H H 78 9.055 9.055 8.885 0.170 18987 2251 1 4 . 1 1 79 79 ASP N N 79 117.917 117.917 118.251 -0.334 18987 2252 1 4 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.362 -0.087 18987 2253 1 4 . 1 1 79 79 ASP C C 79 179.179 179.179 178.109 1.070 18987 2254 1 4 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.234 0.765 18987 2255 1 4 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.709 -0.399 18987 2256 1 4 . 1 1 79 79 ASP H H 79 8.245 8.245 8.805 -0.560 18987 2257 1 4 . 1 1 80 80 GLU N N 80 120.229 120.229 118.775 1.454 18987 2258 1 4 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.352 -0.435 18987 2259 1 4 . 1 1 80 80 GLU C C 80 180.369 180.369 179.039 1.330 18987 2260 1 4 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.540 0.760 18987 2261 1 4 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.763 1.157 18987 2262 1 4 . 1 1 80 80 GLU H H 80 7.732 7.732 7.762 -0.030 18987 2263 1 4 . 1 1 81 81 LYS N N 81 120.163 120.163 120.716 -0.553 18987 2264 1 4 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.285 -0.439 18987 2265 1 4 . 1 1 81 81 LYS C C 81 177.956 177.956 179.088 -1.132 18987 2266 1 4 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.624 1.316 18987 2267 1 4 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.578 1.042 18987 2268 1 4 . 1 1 81 81 LYS H H 81 8.340 8.340 7.555 0.785 18987 2269 1 4 . 1 1 82 82 LEU N N 82 117.478 117.478 119.815 -2.337 18987 2270 1 4 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.638 0.035 18987 2271 1 4 . 1 1 82 82 LEU C C 82 178.870 178.870 178.619 0.251 18987 2272 1 4 . 1 1 82 82 LEU CA C 82 57.770 57.770 58.186 -0.416 18987 2273 1 4 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.717 0.033 18987 2274 1 4 . 1 1 82 82 LEU H H 82 8.161 8.161 8.085 0.076 18987 2275 1 4 . 1 1 83 83 GLU N N 83 119.824 119.824 118.752 1.072 18987 2276 1 4 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.922 -0.182 18987 2277 1 4 . 1 1 83 83 GLU C C 83 179.009 179.009 179.264 -0.255 18987 2278 1 4 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.365 0.115 18987 2279 1 4 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.464 -0.124 18987 2280 1 4 . 1 1 83 83 GLU H H 83 7.999 7.999 7.757 0.242 18987 2281 1 4 . 1 1 84 84 LEU N N 84 119.684 119.684 120.025 -0.341 18987 2282 1 4 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.902 0.040 18987 2283 1 4 . 1 1 84 84 LEU C C 84 179.264 179.264 178.957 0.307 18987 2284 1 4 . 1 1 84 84 LEU CA C 84 58.090 58.090 58.186 -0.096 18987 2285 1 4 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.938 0.372 18987 2286 1 4 . 1 1 84 84 LEU H H 84 7.470 7.470 7.732 -0.262 18987 2287 1 4 . 1 1 85 85 LEU N N 85 119.086 119.086 118.029 1.057 18987 2288 1 4 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.648 -0.264 18987 2289 1 4 . 1 1 85 85 LEU C C 85 176.064 176.064 179.122 -3.058 18987 2290 1 4 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.127 0.733 18987 2291 1 4 . 1 1 85 85 LEU CB C 85 42.360 42.360 40.889 1.471 18987 2292 1 4 . 1 1 85 85 LEU H H 85 7.726 7.726 7.603 0.123 18987 2293 1 4 . 1 1 86 86 SER N N 86 105.708 105.708 112.781 -7.073 18987 2294 1 4 . 1 1 86 86 SER HA H 86 4.283 4.283 4.816 -0.533 18987 2295 1 4 . 1 1 86 86 SER C C 86 176.351 176.351 176.360 -0.009 18987 2296 1 4 . 1 1 86 86 SER CA C 86 60.380 60.380 60.294 0.087 18987 2297 1 4 . 1 1 86 86 SER CB C 86 64.400 64.400 63.225 1.175 18987 2298 1 4 . 1 1 86 86 SER H H 86 7.617 7.617 7.841 -0.224 18987 2299 1 4 . 1 1 87 87 SER N N 87 115.392 115.392 116.857 -1.465 18987 2300 1 4 . 1 1 87 87 SER HA H 87 4.345 4.345 4.477 -0.132 18987 2301 1 4 . 1 1 87 87 SER C C 87 174.534 174.534 174.701 -0.167 18987 2302 1 4 . 1 1 87 87 SER CA C 87 59.820 59.820 60.669 -0.849 18987 2303 1 4 . 1 1 87 87 SER CB C 87 64.340 64.340 63.993 0.346 18987 2304 1 4 . 1 1 87 87 SER H H 87 7.644 7.644 7.757 -0.113 18987 2305 1 4 . 1 1 88 88 ASP N N 88 120.295 120.295 120.157 0.138 18987 2306 1 4 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.811 -0.207 18987 2307 1 4 . 1 1 88 88 ASP C C 88 175.618 175.618 176.146 -0.528 18987 2308 1 4 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.975 0.035 18987 2309 1 4 . 1 1 88 88 ASP CB C 88 41.020 41.020 43.148 -2.128 18987 2310 1 4 . 1 1 88 88 ASP H H 88 7.104 7.104 7.686 -0.582 18987 2311 1 4 . 1 1 89 89 GLY N N 89 111.841 111.841 110.730 1.111 18987 2312 1 4 . 1 1 89 89 GLY C C 89 176.171 176.171 174.903 1.268 18987 2313 1 4 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.608 1.072 18987 2314 1 4 . 1 1 89 89 GLY H H 89 9.325 9.325 8.369 0.956 18987 2315 1 4 . 1 1 90 90 MET N N 90 117.877 117.877 117.450 0.427 18987 2316 1 4 . 1 1 90 90 MET HA H 90 4.075 4.075 4.282 -0.207 18987 2317 1 4 . 1 1 90 90 MET C C 90 178.456 178.456 178.461 -0.005 18987 2318 1 4 . 1 1 90 90 MET CA C 90 56.400 56.400 56.974 -0.574 18987 2319 1 4 . 1 1 90 90 MET CB C 90 30.540 30.540 31.656 -1.116 18987 2320 1 4 . 1 1 90 90 MET H H 90 8.593 8.593 7.852 0.741 18987 2321 1 4 . 1 1 91 91 LEU N N 91 118.027 118.027 118.301 -0.274 18987 2322 1 4 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.226 0.053 18987 2323 1 4 . 1 1 91 91 LEU C C 91 176.298 176.298 176.767 -0.469 18987 2324 1 4 . 1 1 91 91 LEU CA C 91 55.460 55.460 56.428 -0.968 18987 2325 1 4 . 1 1 91 91 LEU CB C 91 43.130 43.130 41.903 1.227 18987 2326 1 4 . 1 1 91 91 LEU H H 91 8.224 8.224 7.260 0.964 18987 2327 1 4 . 1 1 92 92 VAL N N 92 120.960 120.960 116.958 4.002 18987 2328 1 4 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.197 -0.196 18987 2329 1 4 . 1 1 92 92 VAL C C 92 175.990 175.990 176.299 -0.309 18987 2330 1 4 . 1 1 92 92 VAL CA C 92 61.150 61.150 60.554 0.596 18987 2331 1 4 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.108 0.163 18987 2332 1 4 . 1 1 92 92 VAL H H 92 7.093 7.093 7.116 -0.023 18987 2333 1 4 . 1 1 93 93 LYS N N 93 130.687 130.687 126.459 4.228 18987 2334 1 4 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.176 -0.470 18987 2335 1 4 . 1 1 93 93 LYS C C 93 171.855 171.855 177.162 -5.307 18987 2336 1 4 . 1 1 93 93 LYS CA C 93 57.920 57.920 57.090 0.830 18987 2337 1 4 . 1 1 93 93 LYS CB C 93 32.800 32.800 32.380 0.420 18987 2338 1 4 . 1 1 93 93 LYS H H 93 8.442 8.442 8.324 0.118 18987 2339 1 4 . 1 1 94 94 ARG N N 94 115.791 115.791 123.494 -7.703 18987 2340 1 4 . 1 1 94 94 ARG H H 94 7.676 7.676 8.419 -0.743 18987 2341 1 4 . 1 1 95 95 PRO C C 95 175.108 175.108 175.570 -0.462 18987 2342 1 4 . 1 1 96 96 LEU N N 96 128.494 128.494 125.924 2.570 18987 2343 1 4 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.366 -0.385 18987 2344 1 4 . 1 1 96 96 LEU C C 96 173.216 173.216 174.245 -1.029 18987 2345 1 4 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.797 1.073 18987 2346 1 4 . 1 1 96 96 LEU CB C 96 43.660 43.660 46.979 -3.319 18987 2347 1 4 . 1 1 96 96 LEU H H 96 8.246 8.246 8.431 -0.185 18987 2348 1 4 . 1 1 97 97 ALA N N 97 131.035 131.035 125.681 5.354 18987 2349 1 4 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.538 0.332 18987 2350 1 4 . 1 1 97 97 ALA C C 97 174.938 174.938 174.975 -0.037 18987 2351 1 4 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.333 -1.483 18987 2352 1 4 . 1 1 97 97 ALA CB C 97 20.070 20.070 22.337 -2.267 18987 2353 1 4 . 1 1 97 97 ALA H H 97 8.839 8.839 8.986 -0.147 18987 2354 1 4 . 1 1 98 98 VAL N N 98 119.830 119.830 124.501 -4.671 18987 2355 1 4 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.483 0.073 18987 2356 1 4 . 1 1 98 98 VAL C C 98 173.896 173.896 173.656 0.240 18987 2357 1 4 . 1 1 98 98 VAL CA C 98 59.270 59.270 60.009 -0.739 18987 2358 1 4 . 1 1 98 98 VAL CB C 98 35.970 35.970 36.437 -0.467 18987 2359 1 4 . 1 1 98 98 VAL H H 98 8.824 8.824 8.798 0.026 18987 2360 1 4 . 1 1 99 99 MET N N 99 127.537 127.537 124.384 3.153 18987 2361 1 4 . 1 1 99 99 MET HA H 99 4.430 4.430 4.913 -0.483 18987 2362 1 4 . 1 1 99 99 MET CA C 99 56.710 56.710 54.133 2.578 18987 2363 1 4 . 1 1 99 99 MET CB C 99 31.050 31.050 36.986 -5.936 18987 2364 1 4 . 1 1 99 99 MET H H 99 8.873 8.873 9.221 -0.348 18987 2365 1 4 . 1 1 100 100 GLY C C 100 173.024 173.024 174.158 -1.134 18987 2366 1 4 . 1 1 100 100 GLY CA C 100 47.970 47.970 46.570 1.400 18987 2367 1 4 . 1 1 101 101 ASP N N 101 124.308 124.308 118.824 5.484 18987 2368 1 4 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.379 -0.180 18987 2369 1 4 . 1 1 101 101 ASP C C 101 175.172 175.172 175.402 -0.230 18987 2370 1 4 . 1 1 101 101 ASP CA C 101 53.310 53.310 55.399 -2.089 18987 2371 1 4 . 1 1 101 101 ASP CB C 101 40.170 40.170 39.635 0.535 18987 2372 1 4 . 1 1 101 101 ASP H H 101 8.257 8.257 8.481 -0.224 18987 2373 1 4 . 1 1 102 102 LYS N N 102 121.002 121.002 117.499 3.503 18987 2374 1 4 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.697 -0.291 18987 2375 1 4 . 1 1 102 102 LYS C C 102 174.257 174.257 174.162 0.095 18987 2376 1 4 . 1 1 102 102 LYS CA C 102 55.370 55.370 54.949 0.421 18987 2377 1 4 . 1 1 102 102 LYS CB C 102 36.230 36.230 35.507 0.723 18987 2378 1 4 . 1 1 102 102 LYS H H 102 8.108 8.108 7.567 0.541 18987 2379 1 4 . 1 1 103 103 ILE N N 103 118.488 118.488 121.373 -2.885 18987 2380 1 4 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.461 0.398 18987 2381 1 4 . 1 1 103 103 ILE C C 103 173.652 173.652 174.188 -0.536 18987 2382 1 4 . 1 1 103 103 ILE CA C 103 58.620 58.620 60.079 -1.459 18987 2383 1 4 . 1 1 103 103 ILE CB C 103 42.250 42.250 42.198 0.052 18987 2384 1 4 . 1 1 103 103 ILE H H 103 8.038 8.038 8.212 -0.174 18987 2385 1 4 . 1 1 104 104 THR N N 104 115.441 115.441 118.462 -3.021 18987 2386 1 4 . 1 1 104 104 THR HA H 104 4.524 4.524 4.720 -0.196 18987 2387 1 4 . 1 1 104 104 THR C C 104 173.503 173.503 172.284 1.219 18987 2388 1 4 . 1 1 104 104 THR CA C 104 60.660 60.660 60.946 -0.286 18987 2389 1 4 . 1 1 104 104 THR CB C 104 72.460 72.460 71.386 1.074 18987 2390 1 4 . 1 1 104 104 THR H H 104 9.360 9.360 9.468 -0.108 18987 2391 1 4 . 1 1 105 105 LEU N N 105 123.352 123.352 125.635 -2.283 18987 2392 1 4 . 1 1 105 105 LEU HA H 105 5.023 5.023 4.630 0.393 18987 2393 1 4 . 1 1 105 105 LEU C C 105 178.860 178.860 177.970 0.890 18987 2394 1 4 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.847 -1.807 18987 2395 1 4 . 1 1 105 105 LEU CB C 105 44.290 44.290 42.612 1.678 18987 2396 1 4 . 1 1 105 105 LEU H H 105 8.857 8.857 8.697 0.160 18987 2397 1 4 . 1 1 106 106 GLY N N 106 108.363 108.363 114.303 -5.940 18987 2398 1 4 . 1 1 106 106 GLY C C 106 172.100 172.100 173.613 -1.513 18987 2399 1 4 . 1 1 106 106 GLY CA C 106 44.870 44.870 44.936 -0.066 18987 2400 1 4 . 1 1 106 106 GLY H H 106 8.241 8.241 8.536 -0.295 18987 2401 1 4 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.681 0.007 18987 2402 1 4 . 1 1 107 107 PHE CA C 107 58.000 58.000 57.533 0.466 18987 2403 1 4 . 1 1 107 107 PHE CB C 107 41.620 41.620 38.672 2.948 18987 2404 1 4 . 1 1 108 108 LYS N N 108 129.677 129.677 128.752 0.925 18987 2405 1 4 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.113 -0.211 18987 2406 1 4 . 1 1 108 108 LYS CA C 108 54.650 54.650 54.244 0.406 18987 2407 1 4 . 1 1 108 108 LYS CB C 108 34.130 34.130 31.684 2.446 18987 2408 1 4 . 1 1 108 108 LYS H H 108 7.351 7.351 7.303 0.048 18987 2409 1 4 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.416 -0.456 18987 2410 1 4 . 1 1 109 109 GLU C C 109 177.255 177.255 176.717 0.538 18987 2411 1 4 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.806 1.034 18987 2412 1 4 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.129 0.171 18987 2413 1 4 . 1 1 110 110 ASP N N 110 115.831 115.831 118.562 -2.731 18987 2414 1 4 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.310 -0.153 18987 2415 1 4 . 1 1 110 110 ASP C C 110 178.456 178.456 178.560 -0.104 18987 2416 1 4 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.651 -0.741 18987 2417 1 4 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.188 -0.978 18987 2418 1 4 . 1 1 110 110 ASP H H 110 8.654 8.654 8.274 0.380 18987 2419 1 4 . 1 1 111 111 GLN N N 111 119.458 119.458 117.204 2.254 18987 2420 1 4 . 1 1 111 111 GLN HA H 111 4.081 4.081 4.041 0.040 18987 2421 1 4 . 1 1 111 111 GLN C C 111 179.189 179.189 178.142 1.047 18987 2422 1 4 . 1 1 111 111 GLN CA C 111 58.140 58.140 57.943 0.197 18987 2423 1 4 . 1 1 111 111 GLN CB C 111 28.850 28.850 28.025 0.825 18987 2424 1 4 . 1 1 111 111 GLN H H 111 6.993 6.993 8.446 -1.453 18987 2425 1 4 . 1 1 112 112 TYR N N 112 124.973 124.973 120.194 4.779 18987 2426 1 4 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.297 -0.370 18987 2427 1 4 . 1 1 112 112 TYR C C 112 178.254 178.254 177.623 0.631 18987 2428 1 4 . 1 1 112 112 TYR CA C 112 62.690 62.690 59.721 2.969 18987 2429 1 4 . 1 1 112 112 TYR CB C 112 36.660 36.660 37.843 -1.183 18987 2430 1 4 . 1 1 112 112 TYR H H 112 8.289 8.289 8.086 0.203 18987 2431 1 4 . 1 1 113 113 LYS N N 113 118.329 118.329 119.296 -0.967 18987 2432 1 4 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.083 -0.170 18987 2433 1 4 . 1 1 113 113 LYS C C 113 178.296 178.296 178.135 0.161 18987 2434 1 4 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.728 1.352 18987 2435 1 4 . 1 1 113 113 LYS CB C 113 32.810 32.810 31.972 0.838 18987 2436 1 4 . 1 1 113 113 LYS H H 113 8.310 8.310 7.998 0.312 18987 2437 1 4 . 1 1 114 114 GLU N N 114 115.605 115.605 118.772 -3.167 18987 2438 1 4 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.206 -0.310 18987 2439 1 4 . 1 1 114 114 GLU C C 114 177.308 177.308 177.968 -0.660 18987 2440 1 4 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.780 -0.470 18987 2441 1 4 . 1 1 114 114 GLU CB C 114 30.140 30.140 29.940 0.200 18987 2442 1 4 . 1 1 114 114 GLU H H 114 7.603 7.603 7.872 -0.269 18987 2443 1 4 . 1 1 115 115 THR N N 115 112.256 112.256 112.795 -0.539 18987 2444 1 4 . 1 1 115 115 THR HA H 115 3.666 3.666 4.096 -0.430 18987 2445 1 4 . 1 1 115 115 THR C C 115 174.672 174.672 175.480 -0.808 18987 2446 1 4 . 1 1 115 115 THR CA C 115 65.710 65.710 64.150 1.560 18987 2447 1 4 . 1 1 115 115 THR CB C 115 68.700 68.700 69.462 -0.762 18987 2448 1 4 . 1 1 115 115 THR H H 115 7.591 7.591 7.757 -0.166 18987 2449 1 4 . 1 1 116 116 TRP N N 116 116.495 116.495 120.278 -3.783 18987 2450 1 4 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.759 0.544 18987 2451 1 4 . 1 1 116 116 TRP C C 116 176.553 176.553 176.901 -0.348 18987 2452 1 4 . 1 1 116 116 TRP CA C 116 55.620 55.620 57.837 -2.217 18987 2453 1 4 . 1 1 116 116 TRP CB C 116 31.430 31.430 30.469 0.961 18987 2454 1 4 . 1 1 116 116 TRP H H 116 7.661 7.661 7.487 0.174 18987 2455 1 4 . 1 1 117 117 LEU N N 117 116.588 116.588 116.867 -0.279 18987 2456 1 4 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.279 0.323 18987 2457 1 4 . 1 1 117 117 LEU C C 117 175.788 175.788 177.160 -1.372 18987 2458 1 4 . 1 1 117 117 LEU CA C 117 53.860 53.860 54.615 -0.755 18987 2459 1 4 . 1 1 117 117 LEU CB C 117 40.880 40.880 41.915 -1.035 18987 2460 1 4 . 1 1 117 117 LEU H H 117 6.922 6.922 7.670 -0.748 18987 2461 1 5 . 1 1 2 2 ILE N N 2 124.348 124.348 122.549 1.799 18987 2462 1 5 . 1 1 2 2 ILE HA H 2 3.576 3.576 3.808 -0.232 18987 2463 1 5 . 1 1 2 2 ILE C C 2 175.884 175.884 176.065 -0.181 18987 2464 1 5 . 1 1 2 2 ILE CA C 2 62.790 62.790 62.176 0.614 18987 2465 1 5 . 1 1 2 2 ILE CB C 2 40.400 40.400 36.746 3.654 18987 2466 1 5 . 1 1 2 2 ILE H H 2 7.539 7.539 8.359 -0.820 18987 2467 1 5 . 1 1 3 3 LYS N N 3 128.600 128.600 128.382 0.218 18987 2468 1 5 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.116 0.219 18987 2469 1 5 . 1 1 3 3 LYS C C 3 173.322 173.322 175.847 -2.525 18987 2470 1 5 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.730 1.900 18987 2471 1 5 . 1 1 3 3 LYS CB C 3 32.800 32.800 30.517 2.284 18987 2472 1 5 . 1 1 3 3 LYS H H 3 8.524 8.524 8.481 0.043 18987 2473 1 5 . 1 1 4 4 PHE N N 4 128.560 128.560 127.428 1.132 18987 2474 1 5 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.725 0.110 18987 2475 1 5 . 1 1 4 4 PHE C C 4 172.546 172.546 174.119 -1.573 18987 2476 1 5 . 1 1 4 4 PHE CA C 4 56.570 56.570 55.919 0.651 18987 2477 1 5 . 1 1 4 4 PHE CB C 4 42.600 42.600 38.557 4.043 18987 2478 1 5 . 1 1 4 4 PHE H H 4 8.412 8.412 8.104 0.308 18987 2479 1 5 . 1 1 5 5 TYR N N 5 125.785 125.785 127.604 -1.819 18987 2480 1 5 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.075 0.051 18987 2481 1 5 . 1 1 5 5 TYR C C 5 175.852 175.852 175.022 0.830 18987 2482 1 5 . 1 1 5 5 TYR CA C 5 57.980 57.980 58.258 -0.278 18987 2483 1 5 . 1 1 5 5 TYR CB C 5 38.550 38.550 38.890 -0.340 18987 2484 1 5 . 1 1 5 5 TYR H H 5 9.313 9.313 8.523 0.790 18987 2485 1 5 . 1 1 6 6 GLN N N 6 117.436 117.436 120.593 -3.157 18987 2486 1 5 . 1 1 6 6 GLN HA H 6 4.622 4.622 5.161 -0.539 18987 2487 1 5 . 1 1 6 6 GLN C C 6 171.951 171.951 173.751 -1.800 18987 2488 1 5 . 1 1 6 6 GLN CA C 6 53.430 53.430 53.882 -0.452 18987 2489 1 5 . 1 1 6 6 GLN CB C 6 30.490 30.490 32.167 -1.677 18987 2490 1 5 . 1 1 6 6 GLN H H 6 9.110 9.110 8.948 0.162 18987 2491 1 5 . 1 1 7 7 TYR N N 7 116.309 116.309 121.108 -4.799 18987 2492 1 5 . 1 1 7 7 TYR HA H 7 4.953 4.953 4.653 0.300 18987 2493 1 5 . 1 1 7 7 TYR CA C 7 56.130 56.130 58.500 -2.370 18987 2494 1 5 . 1 1 7 7 TYR CB C 7 42.860 42.860 41.259 1.601 18987 2495 1 5 . 1 1 7 7 TYR H H 7 7.075 7.075 8.534 -1.459 18987 2496 1 5 . 1 1 12 12 THR HA H 12 3.868 3.868 3.855 0.013 18987 2497 1 5 . 1 1 12 12 THR C C 12 176.203 176.203 176.375 -0.172 18987 2498 1 5 . 1 1 12 12 THR CA C 12 65.930 65.930 67.181 -1.251 18987 2499 1 5 . 1 1 12 12 THR CB C 12 68.630 68.630 68.652 -0.022 18987 2500 1 5 . 1 1 13 13 CYS N N 13 116.721 116.721 117.381 -0.660 18987 2501 1 5 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.346 -0.115 18987 2502 1 5 . 1 1 13 13 CYS C C 13 174.938 174.938 176.692 -1.754 18987 2503 1 5 . 1 1 13 13 CYS CA C 13 63.790 63.790 62.338 1.452 18987 2504 1 5 . 1 1 13 13 CYS CB C 13 33.590 33.590 27.191 6.399 18987 2505 1 5 . 1 1 13 13 CYS H H 13 8.441 8.441 8.607 -0.166 18987 2506 1 5 . 1 1 14 14 LYS N N 14 119.429 119.429 120.667 -1.238 18987 2507 1 5 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.185 -0.148 18987 2508 1 5 . 1 1 14 14 LYS C C 14 179.370 179.370 179.133 0.237 18987 2509 1 5 . 1 1 14 14 LYS CA C 14 59.150 59.150 58.478 0.672 18987 2510 1 5 . 1 1 14 14 LYS CB C 14 32.270 32.270 32.005 0.265 18987 2511 1 5 . 1 1 14 14 LYS H H 14 7.805 7.805 7.616 0.189 18987 2512 1 5 . 1 1 15 15 LYS N N 15 119.379 119.379 119.799 -0.420 18987 2513 1 5 . 1 1 15 15 LYS HA H 15 3.677 3.677 3.996 -0.319 18987 2514 1 5 . 1 1 15 15 LYS C C 15 177.999 177.999 178.723 -0.724 18987 2515 1 5 . 1 1 15 15 LYS CA C 15 59.270 59.270 58.723 0.547 18987 2516 1 5 . 1 1 15 15 LYS CB C 15 32.630 32.630 31.629 1.001 18987 2517 1 5 . 1 1 15 15 LYS H H 15 7.612 7.612 8.135 -0.523 18987 2518 1 5 . 1 1 16 16 ALA N N 16 122.940 122.940 121.172 1.768 18987 2519 1 5 . 1 1 16 16 ALA HA H 16 2.906 2.906 4.286 -1.380 18987 2520 1 5 . 1 1 16 16 ALA C C 16 177.999 177.999 179.227 -1.228 18987 2521 1 5 . 1 1 16 16 ALA CA C 16 54.370 54.370 54.923 -0.554 18987 2522 1 5 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.318 0.952 18987 2523 1 5 . 1 1 16 16 ALA H H 16 7.346 7.346 7.904 -0.558 18987 2524 1 5 . 1 1 17 17 ALA N N 17 120.093 120.093 120.704 -0.611 18987 2525 1 5 . 1 1 17 17 ALA HA H 17 2.965 2.965 2.758 0.207 18987 2526 1 5 . 1 1 17 17 ALA C C 17 178.466 178.466 179.024 -0.558 18987 2527 1 5 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.602 0.268 18987 2528 1 5 . 1 1 17 17 ALA CB C 17 17.270 17.270 18.075 -0.805 18987 2529 1 5 . 1 1 17 17 ALA H H 17 7.959 7.959 7.875 0.084 18987 2530 1 5 . 1 1 18 18 LYS N N 18 115.894 115.894 119.681 -3.787 18987 2531 1 5 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.017 -0.052 18987 2532 1 5 . 1 1 18 18 LYS C C 18 178.647 178.647 178.428 0.219 18987 2533 1 5 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.558 0.352 18987 2534 1 5 . 1 1 18 18 LYS CB C 18 32.180 32.180 31.926 0.254 18987 2535 1 5 . 1 1 18 18 LYS H H 18 7.565 7.565 7.632 -0.067 18987 2536 1 5 . 1 1 19 19 PHE N N 19 120.854 120.854 119.940 0.914 18987 2537 1 5 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.188 0.051 18987 2538 1 5 . 1 1 19 19 PHE C C 19 176.925 176.925 177.461 -0.536 18987 2539 1 5 . 1 1 19 19 PHE CA C 19 61.730 61.730 61.823 -0.093 18987 2540 1 5 . 1 1 19 19 PHE CB C 19 39.140 39.140 39.171 -0.031 18987 2541 1 5 . 1 1 19 19 PHE H H 19 7.496 7.496 7.927 -0.431 18987 2542 1 5 . 1 1 20 20 LEU N N 20 118.913 118.913 118.460 0.453 18987 2543 1 5 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.676 0.222 18987 2544 1 5 . 1 1 20 20 LEU C C 20 179.657 179.657 178.505 1.152 18987 2545 1 5 . 1 1 20 20 LEU CA C 20 58.330 58.330 57.801 0.529 18987 2546 1 5 . 1 1 20 20 LEU CB C 20 40.460 40.460 41.092 -0.632 18987 2547 1 5 . 1 1 20 20 LEU H H 20 8.012 8.012 7.715 0.297 18987 2548 1 5 . 1 1 21 21 ASP N N 21 118.448 118.448 119.020 -0.572 18987 2549 1 5 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.383 0.073 18987 2550 1 5 . 1 1 21 21 ASP C C 21 180.358 180.358 178.390 1.968 18987 2551 1 5 . 1 1 21 21 ASP CA C 21 57.680 57.680 57.344 0.335 18987 2552 1 5 . 1 1 21 21 ASP CB C 21 40.520 40.520 41.119 -0.599 18987 2553 1 5 . 1 1 21 21 ASP H H 21 8.814 8.814 7.934 0.880 18987 2554 1 5 . 1 1 22 22 GLU N N 22 122.661 122.661 118.604 4.057 18987 2555 1 5 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.001 -0.259 18987 2556 1 5 . 1 1 22 22 GLU C C 22 178.371 178.371 178.349 0.022 18987 2557 1 5 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.781 0.459 18987 2558 1 5 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.691 -0.911 18987 2559 1 5 . 1 1 22 22 GLU H H 22 8.544 8.544 7.753 0.791 18987 2560 1 5 . 1 1 23 23 TYR N N 23 114.768 114.768 116.685 -1.917 18987 2561 1 5 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.325 -0.075 18987 2562 1 5 . 1 1 23 23 TYR C C 23 175.724 175.724 175.781 -0.057 18987 2563 1 5 . 1 1 23 23 TYR CA C 23 59.070 59.070 59.092 -0.022 18987 2564 1 5 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.656 0.364 18987 2565 1 5 . 1 1 23 23 TYR H H 23 7.522 7.522 7.826 -0.304 18987 2566 1 5 . 1 1 24 24 GLY N N 24 110.449 110.449 106.287 4.162 18987 2567 1 5 . 1 1 24 24 GLY C C 24 174.534 174.534 174.335 0.199 18987 2568 1 5 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.041 2.079 18987 2569 1 5 . 1 1 24 24 GLY H H 24 7.792 7.792 7.468 0.324 18987 2570 1 5 . 1 1 25 25 VAL N N 25 122.714 122.714 121.467 1.247 18987 2571 1 5 . 1 1 25 25 VAL HA H 25 3.959 3.959 4.017 -0.058 18987 2572 1 5 . 1 1 25 25 VAL C C 25 176.266 176.266 176.019 0.247 18987 2573 1 5 . 1 1 25 25 VAL CA C 25 62.000 62.000 62.502 -0.501 18987 2574 1 5 . 1 1 25 25 VAL CB C 25 32.480 32.480 32.103 0.377 18987 2575 1 5 . 1 1 25 25 VAL H H 25 8.393 8.393 7.924 0.469 18987 2576 1 5 . 1 1 26 26 SER N N 26 123.498 123.498 124.668 -1.170 18987 2577 1 5 . 1 1 26 26 SER HA H 26 4.351 4.351 4.409 -0.058 18987 2578 1 5 . 1 1 26 26 SER C C 26 173.513 173.513 173.537 -0.024 18987 2579 1 5 . 1 1 26 26 SER CA C 26 59.040 59.040 58.339 0.701 18987 2580 1 5 . 1 1 26 26 SER CB C 26 63.530 63.530 62.567 0.963 18987 2581 1 5 . 1 1 26 26 SER H H 26 8.559 8.559 8.732 -0.173 18987 2582 1 5 . 1 1 27 27 TYR N N 27 119.756 119.756 122.206 -2.450 18987 2583 1 5 . 1 1 27 27 TYR HA H 27 4.983 4.983 5.029 -0.046 18987 2584 1 5 . 1 1 27 27 TYR C C 27 172.355 172.355 174.942 -2.587 18987 2585 1 5 . 1 1 27 27 TYR CA C 27 55.750 55.750 54.620 1.130 18987 2586 1 5 . 1 1 27 27 TYR CB C 27 40.730 40.730 40.634 0.096 18987 2587 1 5 . 1 1 27 27 TYR H H 27 7.838 7.838 7.753 0.085 18987 2588 1 5 . 1 1 28 28 GLU N N 28 123.126 123.126 120.309 2.817 18987 2589 1 5 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.727 0.001 18987 2590 1 5 . 1 1 28 28 GLU CA C 28 51.420 51.420 52.038 -0.618 18987 2591 1 5 . 1 1 28 28 GLU CB C 28 31.790 31.790 32.067 -0.277 18987 2592 1 5 . 1 1 28 28 GLU H H 28 9.006 9.006 8.867 0.139 18987 2593 1 5 . 1 1 29 29 PRO HA H 29 5.619 5.619 4.862 0.757 18987 2594 1 5 . 1 1 29 29 PRO C C 29 177.276 177.276 176.269 1.007 18987 2595 1 5 . 1 1 29 29 PRO CA C 29 61.820 61.820 63.273 -1.453 18987 2596 1 5 . 1 1 29 29 PRO CB C 29 31.890 31.890 31.515 0.375 18987 2597 1 5 . 1 1 30 30 ILE N N 30 127.043 127.043 120.102 6.941 18987 2598 1 5 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.371 -0.267 18987 2599 1 5 . 1 1 30 30 ILE C C 30 174.948 174.948 173.842 1.106 18987 2600 1 5 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.206 2.154 18987 2601 1 5 . 1 1 30 30 ILE CB C 30 42.210 42.210 41.611 0.599 18987 2602 1 5 . 1 1 30 30 ILE H H 30 9.148 9.148 8.148 1.000 18987 2603 1 5 . 1 1 31 31 ASP N N 31 128.946 128.946 122.910 6.036 18987 2604 1 5 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.551 -0.659 18987 2605 1 5 . 1 1 31 31 ASP C C 31 176.373 176.373 177.460 -1.087 18987 2606 1 5 . 1 1 31 31 ASP CA C 31 54.600 54.600 55.295 -0.695 18987 2607 1 5 . 1 1 31 31 ASP CB C 31 42.920 42.920 41.548 1.372 18987 2608 1 5 . 1 1 31 31 ASP H H 31 9.092 9.092 8.473 0.619 18987 2609 1 5 . 1 1 32 32 ILE N N 32 127.576 127.576 126.846 0.730 18987 2610 1 5 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.000 0.092 18987 2611 1 5 . 1 1 32 32 ILE C C 32 174.013 174.013 176.391 -2.378 18987 2612 1 5 . 1 1 32 32 ILE CA C 32 62.520 62.520 64.075 -1.555 18987 2613 1 5 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.638 2.112 18987 2614 1 5 . 1 1 32 32 ILE H H 32 9.362 9.362 8.174 1.188 18987 2615 1 5 . 1 1 33 33 VAL N N 33 123.498 123.498 117.327 6.171 18987 2616 1 5 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.836 -0.193 18987 2617 1 5 . 1 1 33 33 VAL C C 33 176.819 176.819 177.214 -0.395 18987 2618 1 5 . 1 1 33 33 VAL CA C 33 65.050 65.050 63.629 1.421 18987 2619 1 5 . 1 1 33 33 VAL CB C 33 31.970 31.970 31.119 0.851 18987 2620 1 5 . 1 1 33 33 VAL H H 33 8.445 8.445 7.704 0.741 18987 2621 1 5 . 1 1 34 34 GLN N N 34 119.897 119.897 118.303 1.594 18987 2622 1 5 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.174 -0.221 18987 2623 1 5 . 1 1 34 34 GLN C C 34 176.734 176.734 176.592 0.142 18987 2624 1 5 . 1 1 34 34 GLN CA C 34 57.540 57.540 57.719 -0.179 18987 2625 1 5 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.253 0.607 18987 2626 1 5 . 1 1 34 34 GLN H H 34 8.650 8.650 8.253 0.397 18987 2627 1 5 . 1 1 35 35 HIS N N 35 118.090 118.090 117.124 0.966 18987 2628 1 5 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.951 0.013 18987 2629 1 5 . 1 1 35 35 HIS C C 35 173.758 173.758 174.204 -0.446 18987 2630 1 5 . 1 1 35 35 HIS CA C 35 53.660 53.660 55.230 -1.571 18987 2631 1 5 . 1 1 35 35 HIS CB C 35 29.190 29.190 30.626 -1.436 18987 2632 1 5 . 1 1 35 35 HIS H H 35 8.178 8.178 7.910 0.268 18987 2633 1 5 . 1 1 36 36 THR N N 36 118.794 118.794 119.048 -0.254 18987 2634 1 5 . 1 1 36 36 THR HA H 36 4.142 4.142 4.336 -0.194 18987 2635 1 5 . 1 1 36 36 THR CA C 36 62.080 62.080 62.008 0.072 18987 2636 1 5 . 1 1 36 36 THR CB C 36 70.180 70.180 69.169 1.011 18987 2637 1 5 . 1 1 36 36 THR H H 36 7.468 7.468 7.532 -0.064 18987 2638 1 5 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.487 -0.212 18987 2639 1 5 . 1 1 37 37 PRO C C 37 174.970 174.970 176.184 -1.214 18987 2640 1 5 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.158 0.812 18987 2641 1 5 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.974 -2.544 18987 2642 1 5 . 1 1 38 38 THR N N 38 111.512 111.512 111.268 0.244 18987 2643 1 5 . 1 1 38 38 THR HA H 38 4.298 4.298 4.452 -0.153 18987 2644 1 5 . 1 1 38 38 THR C C 38 175.756 175.756 176.414 -0.658 18987 2645 1 5 . 1 1 38 38 THR CA C 38 60.700 60.700 61.431 -0.731 18987 2646 1 5 . 1 1 38 38 THR CB C 38 71.560 71.560 69.847 1.713 18987 2647 1 5 . 1 1 38 38 THR H H 38 8.220 8.220 7.934 0.286 18987 2648 1 5 . 1 1 39 39 ILE N N 39 119.950 119.950 120.750 -0.800 18987 2649 1 5 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.826 -0.149 18987 2650 1 5 . 1 1 39 39 ILE C C 39 177.871 177.871 177.753 0.118 18987 2651 1 5 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.444 1.656 18987 2652 1 5 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.652 0.488 18987 2653 1 5 . 1 1 39 39 ILE H H 39 8.763 8.763 8.555 0.208 18987 2654 1 5 . 1 1 40 40 ASN N N 40 116.189 116.189 117.313 -1.124 18987 2655 1 5 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.477 -0.128 18987 2656 1 5 . 1 1 40 40 ASN C C 40 178.445 178.445 177.399 1.046 18987 2657 1 5 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.431 -0.101 18987 2658 1 5 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.684 0.256 18987 2659 1 5 . 1 1 40 40 ASN H H 40 8.180 8.180 8.572 -0.392 18987 2660 1 5 . 1 1 41 41 GLU N N 41 121.970 121.970 119.739 2.231 18987 2661 1 5 . 1 1 41 41 GLU HA H 41 3.915 3.915 4.188 -0.273 18987 2662 1 5 . 1 1 41 41 GLU C C 41 180.093 180.093 179.016 1.077 18987 2663 1 5 . 1 1 41 41 GLU CA C 41 59.590 59.590 58.258 1.331 18987 2664 1 5 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.029 0.721 18987 2665 1 5 . 1 1 41 41 GLU H H 41 7.782 7.782 7.567 0.215 18987 2666 1 5 . 1 1 42 42 PHE N N 42 118.929 118.929 120.555 -1.626 18987 2667 1 5 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.159 0.011 18987 2668 1 5 . 1 1 42 42 PHE C C 42 178.488 178.488 177.286 1.202 18987 2669 1 5 . 1 1 42 42 PHE CA C 42 63.020 63.020 62.177 0.843 18987 2670 1 5 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.965 0.265 18987 2671 1 5 . 1 1 42 42 PHE H H 42 8.776 8.776 8.543 0.233 18987 2672 1 5 . 1 1 43 43 LYS N N 43 118.820 118.820 118.231 0.589 18987 2673 1 5 . 1 1 43 43 LYS HA H 43 3.795 3.795 4.030 -0.235 18987 2674 1 5 . 1 1 43 43 LYS C C 43 179.816 179.816 179.167 0.649 18987 2675 1 5 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.505 1.645 18987 2676 1 5 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.927 0.313 18987 2677 1 5 . 1 1 43 43 LYS H H 43 8.775 8.775 8.267 0.508 18987 2678 1 5 . 1 1 44 44 THR N N 44 118.754 118.754 117.569 1.185 18987 2679 1 5 . 1 1 44 44 THR HA H 44 3.894 3.894 4.052 -0.158 18987 2680 1 5 . 1 1 44 44 THR C C 44 175.214 175.214 176.327 -1.113 18987 2681 1 5 . 1 1 44 44 THR CA C 44 66.900 66.900 67.096 -0.196 18987 2682 1 5 . 1 1 44 44 THR CB C 44 68.920 68.920 68.657 0.263 18987 2683 1 5 . 1 1 44 44 THR H H 44 7.959 7.959 7.943 0.016 18987 2684 1 5 . 1 1 45 45 ILE N N 45 122.671 122.671 119.116 3.555 18987 2685 1 5 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.799 0.008 18987 2686 1 5 . 1 1 45 45 ILE C C 45 180.273 180.273 177.593 2.680 18987 2687 1 5 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.797 1.253 18987 2688 1 5 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.291 1.459 18987 2689 1 5 . 1 1 45 45 ILE H H 45 8.100 8.100 7.698 0.402 18987 2690 1 5 . 1 1 46 46 ILE N N 46 123.392 123.392 120.883 2.509 18987 2691 1 5 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.949 -0.424 18987 2692 1 5 . 1 1 46 46 ILE C C 46 178.509 178.509 177.376 1.133 18987 2693 1 5 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.681 1.129 18987 2694 1 5 . 1 1 46 46 ILE CB C 46 38.110 38.110 38.069 0.041 18987 2695 1 5 . 1 1 46 46 ILE H H 46 8.778 8.778 8.009 0.769 18987 2696 1 5 . 1 1 47 47 ALA N N 47 123.336 123.336 120.906 2.430 18987 2697 1 5 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.153 -0.105 18987 2698 1 5 . 1 1 47 47 ALA C C 47 180.114 180.114 179.008 1.106 18987 2699 1 5 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.565 0.335 18987 2700 1 5 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.358 -0.028 18987 2701 1 5 . 1 1 47 47 ALA H H 47 8.232 8.232 7.811 0.421 18987 2702 1 5 . 1 1 48 48 ASN N N 48 114.090 114.090 116.036 -1.946 18987 2703 1 5 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.754 -0.264 18987 2704 1 5 . 1 1 48 48 ASN C C 48 177.776 177.776 177.635 0.141 18987 2705 1 5 . 1 1 48 48 ASN CA C 48 55.070 55.070 55.676 -0.606 18987 2706 1 5 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.620 -0.950 18987 2707 1 5 . 1 1 48 48 ASN H H 48 8.464 8.464 8.240 0.224 18987 2708 1 5 . 1 1 49 49 THR N N 49 106.742 106.742 110.340 -3.598 18987 2709 1 5 . 1 1 49 49 THR HA H 49 4.471 4.471 4.700 -0.229 18987 2710 1 5 . 1 1 49 49 THR C C 49 176.968 176.968 175.926 1.042 18987 2711 1 5 . 1 1 49 49 THR CA C 49 62.550 62.550 63.128 -0.578 18987 2712 1 5 . 1 1 49 49 THR CB C 49 72.150 72.150 70.837 1.313 18987 2713 1 5 . 1 1 49 49 THR H H 49 8.035 8.035 8.006 0.029 18987 2714 1 5 . 1 1 50 50 GLY N N 50 112.246 112.246 111.516 0.730 18987 2715 1 5 . 1 1 50 50 GLY C C 50 174.055 174.055 174.215 -0.160 18987 2716 1 5 . 1 1 50 50 GLY CA C 50 45.940 45.940 44.849 1.091 18987 2717 1 5 . 1 1 50 50 GLY H H 50 8.323 8.323 7.864 0.459 18987 2718 1 5 . 1 1 51 51 VAL N N 51 121.212 121.212 119.513 1.699 18987 2719 1 5 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.202 -0.327 18987 2720 1 5 . 1 1 51 51 VAL C C 51 173.120 173.120 175.374 -2.254 18987 2721 1 5 . 1 1 51 51 VAL CA C 51 61.380 61.380 60.762 0.618 18987 2722 1 5 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.476 -1.586 18987 2723 1 5 . 1 1 51 51 VAL H H 51 7.429 7.429 7.456 -0.027 18987 2724 1 5 . 1 1 52 52 GLU N N 52 126.158 126.158 124.885 1.273 18987 2725 1 5 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.270 -0.161 18987 2726 1 5 . 1 1 52 52 GLU C C 52 178.190 178.190 176.667 1.523 18987 2727 1 5 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.830 -0.589 18987 2728 1 5 . 1 1 52 52 GLU CB C 52 30.190 30.190 29.782 0.408 18987 2729 1 5 . 1 1 52 52 GLU H H 52 7.881 7.881 8.513 -0.632 18987 2730 1 5 . 1 1 53 53 ILE N N 53 125.807 125.807 125.095 0.712 18987 2731 1 5 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.880 -0.456 18987 2732 1 5 . 1 1 53 53 ILE C C 53 177.425 177.425 176.131 1.294 18987 2733 1 5 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.340 2.440 18987 2734 1 5 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.076 -0.116 18987 2735 1 5 . 1 1 53 53 ILE H H 53 8.430 8.430 8.673 -0.243 18987 2736 1 5 . 1 1 54 54 ASN N N 54 116.588 116.588 117.644 -1.056 18987 2737 1 5 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.794 -0.338 18987 2738 1 5 . 1 1 54 54 ASN C C 54 178.807 178.807 177.084 1.723 18987 2739 1 5 . 1 1 54 54 ASN CA C 54 55.770 55.770 56.174 -0.404 18987 2740 1 5 . 1 1 54 54 ASN CB C 54 37.140 37.140 38.274 -1.134 18987 2741 1 5 . 1 1 54 54 ASN H H 54 8.585 8.585 8.491 0.094 18987 2742 1 5 . 1 1 55 55 LYS N N 55 117.013 117.013 117.751 -0.738 18987 2743 1 5 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.165 -0.063 18987 2744 1 5 . 1 1 55 55 LYS C C 55 176.819 176.819 177.318 -0.499 18987 2745 1 5 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.305 -0.745 18987 2746 1 5 . 1 1 55 55 LYS CB C 55 32.180 32.180 31.529 0.651 18987 2747 1 5 . 1 1 55 55 LYS H H 55 7.661 7.661 8.274 -0.613 18987 2748 1 5 . 1 1 56 56 LEU N N 56 114.768 114.768 118.515 -3.747 18987 2749 1 5 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.339 -0.412 18987 2750 1 5 . 1 1 56 56 LEU C C 56 176.702 176.702 176.786 -0.084 18987 2751 1 5 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.299 0.621 18987 2752 1 5 . 1 1 56 56 LEU CB C 56 42.020 42.020 41.922 0.098 18987 2753 1 5 . 1 1 56 56 LEU H H 56 7.690 7.690 7.233 0.457 18987 2754 1 5 . 1 1 57 57 PHE N N 57 114.558 114.558 118.148 -3.590 18987 2755 1 5 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.647 -0.200 18987 2756 1 5 . 1 1 57 57 PHE C C 57 176.319 176.319 176.718 -0.399 18987 2757 1 5 . 1 1 57 57 PHE CA C 57 58.470 58.470 59.234 -0.764 18987 2758 1 5 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.623 1.077 18987 2759 1 5 . 1 1 57 57 PHE H H 57 7.032 7.032 7.724 -0.692 18987 2760 1 5 . 1 1 58 58 ASN N N 58 118.674 118.674 122.186 -3.512 18987 2761 1 5 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.744 -0.258 18987 2762 1 5 . 1 1 58 58 ASN CA C 58 51.540 51.540 53.574 -2.034 18987 2763 1 5 . 1 1 58 58 ASN CB C 58 36.910 36.910 38.426 -1.516 18987 2764 1 5 . 1 1 58 58 ASN H H 58 8.659 8.659 8.708 -0.049 18987 2765 1 5 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.735 -0.173 18987 2766 1 5 . 1 1 60 60 HIS C C 60 176.309 176.309 176.662 -0.353 18987 2767 1 5 . 1 1 60 60 HIS CA C 60 55.920 55.920 56.245 -0.325 18987 2768 1 5 . 1 1 60 60 HIS CB C 60 30.890 30.890 31.341 -0.451 18987 2769 1 5 . 1 1 61 61 GLY N N 61 106.925 106.925 108.535 -1.610 18987 2770 1 5 . 1 1 61 61 GLY CA C 61 45.180 45.180 46.059 -0.879 18987 2771 1 5 . 1 1 61 61 GLY H H 61 7.284 7.284 8.363 -1.079 18987 2772 1 5 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.047 0.001 18987 2773 1 5 . 1 1 63 63 LYS C C 63 177.435 177.435 179.089 -1.654 18987 2774 1 5 . 1 1 63 63 LYS CA C 63 58.300 58.300 59.338 -1.038 18987 2775 1 5 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.273 -1.113 18987 2776 1 5 . 1 1 64 64 TYR N N 64 119.737 119.737 120.351 -0.614 18987 2777 1 5 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.146 -0.490 18987 2778 1 5 . 1 1 64 64 TYR C C 64 178.339 178.339 176.302 2.037 18987 2779 1 5 . 1 1 64 64 TYR CA C 64 61.610 61.610 61.664 -0.054 18987 2780 1 5 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.559 0.341 18987 2781 1 5 . 1 1 64 64 TYR H H 64 7.644 7.644 8.562 -0.918 18987 2782 1 5 . 1 1 65 65 ARG N N 65 118.236 118.236 115.091 3.145 18987 2783 1 5 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.469 -0.259 18987 2784 1 5 . 1 1 65 65 ARG C C 65 179.816 179.816 177.326 2.490 18987 2785 1 5 . 1 1 65 65 ARG CA C 65 59.090 59.090 56.157 2.933 18987 2786 1 5 . 1 1 65 65 ARG CB C 65 30.160 30.160 29.835 0.324 18987 2787 1 5 . 1 1 65 65 ARG H H 65 7.358 7.358 7.848 -0.490 18987 2788 1 5 . 1 1 66 66 GLU N N 66 123.063 123.063 121.121 1.942 18987 2789 1 5 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.196 -0.279 18987 2790 1 5 . 1 1 66 66 GLU C C 66 178.626 178.626 177.901 0.725 18987 2791 1 5 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.759 0.691 18987 2792 1 5 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.653 0.037 18987 2793 1 5 . 1 1 66 66 GLU H H 66 8.789 8.789 7.972 0.817 18987 2794 1 5 . 1 1 67 67 LEU N N 67 115.817 115.817 117.220 -1.403 18987 2795 1 5 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.214 -0.084 18987 2796 1 5 . 1 1 67 67 LEU C C 67 176.171 176.171 177.265 -1.094 18987 2797 1 5 . 1 1 67 67 LEU CA C 67 54.750 54.750 55.389 -0.639 18987 2798 1 5 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.570 -0.550 18987 2799 1 5 . 1 1 67 67 LEU H H 67 7.907 7.907 7.775 0.132 18987 2800 1 5 . 1 1 68 68 ASP N N 68 118.063 118.063 117.649 0.414 18987 2801 1 5 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.402 0.012 18987 2802 1 5 . 1 1 68 68 ASP C C 68 177.521 177.521 177.263 0.258 18987 2803 1 5 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.585 -0.185 18987 2804 1 5 . 1 1 68 68 ASP CB C 68 39.640 39.640 39.941 -0.301 18987 2805 1 5 . 1 1 68 68 ASP H H 68 7.878 7.878 7.810 0.068 18987 2806 1 5 . 1 1 69 69 LEU N N 69 115.724 115.724 119.598 -3.874 18987 2807 1 5 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.838 -0.399 18987 2808 1 5 . 1 1 69 69 LEU C C 69 177.584 177.584 178.001 -0.417 18987 2809 1 5 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.225 0.255 18987 2810 1 5 . 1 1 69 69 LEU CB C 69 38.700 38.700 41.485 -2.785 18987 2811 1 5 . 1 1 69 69 LEU H H 69 7.285 7.285 7.569 -0.284 18987 2812 1 5 . 1 1 70 70 LYS N N 70 119.751 119.751 118.306 1.445 18987 2813 1 5 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.675 0.286 18987 2814 1 5 . 1 1 70 70 LYS C C 70 177.903 177.903 177.965 -0.062 18987 2815 1 5 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.324 1.157 18987 2816 1 5 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.426 0.554 18987 2817 1 5 . 1 1 70 70 LYS H H 70 8.601 8.601 7.573 1.028 18987 2818 1 5 . 1 1 71 71 ASN N N 71 113.386 113.386 116.937 -3.551 18987 2819 1 5 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.597 0.129 18987 2820 1 5 . 1 1 71 71 ASN C C 71 176.808 176.808 176.847 -0.039 18987 2821 1 5 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.706 -1.336 18987 2822 1 5 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.513 1.447 18987 2823 1 5 . 1 1 71 71 ASN H H 71 6.965 6.965 7.691 -0.726 18987 2824 1 5 . 1 1 72 72 LYS N N 72 118.475 118.475 118.889 -0.414 18987 2825 1 5 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.232 -0.083 18987 2826 1 5 . 1 1 72 72 LYS C C 72 178.849 178.849 178.780 0.069 18987 2827 1 5 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.181 -0.261 18987 2828 1 5 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.869 1.161 18987 2829 1 5 . 1 1 72 72 LYS H H 72 8.113 8.113 7.585 0.528 18987 2830 1 5 . 1 1 73 73 LEU N N 73 120.458 120.458 120.817 -0.359 18987 2831 1 5 . 1 1 73 73 LEU HA H 73 3.599 3.599 3.916 -0.317 18987 2832 1 5 . 1 1 73 73 LEU C C 73 178.126 178.126 178.194 -0.068 18987 2833 1 5 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.278 1.552 18987 2834 1 5 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.459 -0.559 18987 2835 1 5 . 1 1 73 73 LEU H H 73 8.549 8.549 8.090 0.459 18987 2836 1 5 . 1 1 74 74 GLN N N 74 112.719 112.719 115.802 -3.083 18987 2837 1 5 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.105 0.073 18987 2838 1 5 . 1 1 74 74 GLN C C 74 176.883 176.883 177.360 -0.477 18987 2839 1 5 . 1 1 74 74 GLN CA C 74 57.250 57.250 58.068 -0.818 18987 2840 1 5 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.710 -0.280 18987 2841 1 5 . 1 1 74 74 GLN H H 74 7.918 7.918 7.795 0.123 18987 2842 1 5 . 1 1 75 75 THR N N 75 108.336 108.336 112.904 -4.568 18987 2843 1 5 . 1 1 75 75 THR HA H 75 4.410 4.410 4.458 -0.048 18987 2844 1 5 . 1 1 75 75 THR C C 75 174.619 174.619 174.547 0.072 18987 2845 1 5 . 1 1 75 75 THR CA C 75 61.760 61.760 61.534 0.226 18987 2846 1 5 . 1 1 75 75 THR CB C 75 69.950 69.950 69.845 0.105 18987 2847 1 5 . 1 1 75 75 THR H H 75 7.620 7.620 7.651 -0.031 18987 2848 1 5 . 1 1 76 76 LEU N N 76 122.754 122.754 120.273 2.481 18987 2849 1 5 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.642 -0.154 18987 2850 1 5 . 1 1 76 76 LEU C C 76 177.234 177.234 176.052 1.182 18987 2851 1 5 . 1 1 76 76 LEU CA C 76 54.190 54.190 53.279 0.910 18987 2852 1 5 . 1 1 76 76 LEU CB C 76 44.040 44.040 42.102 1.938 18987 2853 1 5 . 1 1 76 76 LEU H H 76 7.191 7.191 7.588 -0.397 18987 2854 1 5 . 1 1 77 77 SER N N 77 119.431 119.431 113.557 5.874 18987 2855 1 5 . 1 1 77 77 SER HA H 77 4.465 4.465 4.597 -0.132 18987 2856 1 5 . 1 1 77 77 SER C C 77 175.320 175.320 175.416 -0.096 18987 2857 1 5 . 1 1 77 77 SER CA C 77 57.360 57.360 56.826 0.534 18987 2858 1 5 . 1 1 77 77 SER CB C 77 65.080 65.080 65.515 -0.435 18987 2859 1 5 . 1 1 77 77 SER H H 77 9.367 9.367 8.290 1.077 18987 2860 1 5 . 1 1 78 78 ASP N N 78 122.766 122.766 125.162 -2.396 18987 2861 1 5 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.359 -0.164 18987 2862 1 5 . 1 1 78 78 ASP C C 78 178.211 178.211 177.715 0.496 18987 2863 1 5 . 1 1 78 78 ASP CA C 78 58.470 58.470 57.684 0.786 18987 2864 1 5 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.688 -1.228 18987 2865 1 5 . 1 1 78 78 ASP H H 78 9.055 9.055 8.868 0.187 18987 2866 1 5 . 1 1 79 79 ASP N N 79 117.917 117.917 119.962 -2.045 18987 2867 1 5 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.368 -0.093 18987 2868 1 5 . 1 1 79 79 ASP C C 79 179.179 179.179 178.028 1.151 18987 2869 1 5 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.318 0.682 18987 2870 1 5 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.981 -0.671 18987 2871 1 5 . 1 1 79 79 ASP H H 79 8.245 8.245 7.813 0.432 18987 2872 1 5 . 1 1 80 80 GLU N N 80 120.229 120.229 118.924 1.305 18987 2873 1 5 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.278 -0.361 18987 2874 1 5 . 1 1 80 80 GLU C C 80 180.369 180.369 179.010 1.359 18987 2875 1 5 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.865 0.435 18987 2876 1 5 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.706 1.214 18987 2877 1 5 . 1 1 80 80 GLU H H 80 7.732 7.732 7.688 0.044 18987 2878 1 5 . 1 1 81 81 LYS N N 81 120.163 120.163 120.080 0.083 18987 2879 1 5 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.297 -0.451 18987 2880 1 5 . 1 1 81 81 LYS C C 81 177.956 177.956 179.167 -1.211 18987 2881 1 5 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.604 1.336 18987 2882 1 5 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.544 1.077 18987 2883 1 5 . 1 1 81 81 LYS H H 81 8.340 8.340 7.449 0.891 18987 2884 1 5 . 1 1 82 82 LEU N N 82 117.478 117.478 119.469 -1.991 18987 2885 1 5 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.627 0.046 18987 2886 1 5 . 1 1 82 82 LEU C C 82 178.870 178.870 178.669 0.201 18987 2887 1 5 . 1 1 82 82 LEU CA C 82 57.770 57.770 58.138 -0.368 18987 2888 1 5 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.589 0.161 18987 2889 1 5 . 1 1 82 82 LEU H H 82 8.161 8.161 7.950 0.211 18987 2890 1 5 . 1 1 83 83 GLU N N 83 119.824 119.824 119.363 0.461 18987 2891 1 5 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.924 -0.184 18987 2892 1 5 . 1 1 83 83 GLU C C 83 179.009 179.009 179.259 -0.250 18987 2893 1 5 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.481 -0.001 18987 2894 1 5 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.412 -0.072 18987 2895 1 5 . 1 1 83 83 GLU H H 83 7.999 7.999 7.753 0.246 18987 2896 1 5 . 1 1 84 84 LEU N N 84 119.684 119.684 119.753 -0.069 18987 2897 1 5 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.934 0.008 18987 2898 1 5 . 1 1 84 84 LEU C C 84 179.264 179.264 179.081 0.183 18987 2899 1 5 . 1 1 84 84 LEU CA C 84 58.090 58.090 57.944 0.146 18987 2900 1 5 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.779 0.531 18987 2901 1 5 . 1 1 84 84 LEU H H 84 7.470 7.470 7.780 -0.310 18987 2902 1 5 . 1 1 85 85 LEU N N 85 119.086 119.086 118.567 0.519 18987 2903 1 5 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.670 -0.286 18987 2904 1 5 . 1 1 85 85 LEU C C 85 176.064 176.064 179.178 -3.114 18987 2905 1 5 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.256 0.604 18987 2906 1 5 . 1 1 85 85 LEU CB C 85 42.360 42.360 40.992 1.368 18987 2907 1 5 . 1 1 85 85 LEU H H 85 7.726 7.726 7.629 0.097 18987 2908 1 5 . 1 1 86 86 SER N N 86 105.708 105.708 113.298 -7.590 18987 2909 1 5 . 1 1 86 86 SER HA H 86 4.283 4.283 4.674 -0.391 18987 2910 1 5 . 1 1 86 86 SER C C 86 176.351 176.351 176.067 0.284 18987 2911 1 5 . 1 1 86 86 SER CA C 86 60.380 60.380 60.651 -0.271 18987 2912 1 5 . 1 1 86 86 SER CB C 86 64.400 64.400 63.380 1.020 18987 2913 1 5 . 1 1 86 86 SER H H 86 7.617 7.617 7.893 -0.276 18987 2914 1 5 . 1 1 87 87 SER N N 87 115.392 115.392 116.052 -0.660 18987 2915 1 5 . 1 1 87 87 SER HA H 87 4.345 4.345 4.332 0.013 18987 2916 1 5 . 1 1 87 87 SER C C 87 174.534 174.534 174.623 -0.089 18987 2917 1 5 . 1 1 87 87 SER CA C 87 59.820 59.820 61.227 -1.407 18987 2918 1 5 . 1 1 87 87 SER CB C 87 64.340 64.340 63.870 0.470 18987 2919 1 5 . 1 1 87 87 SER H H 87 7.644 7.644 7.865 -0.221 18987 2920 1 5 . 1 1 88 88 ASP N N 88 120.295 120.295 120.020 0.275 18987 2921 1 5 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.807 -0.203 18987 2922 1 5 . 1 1 88 88 ASP C C 88 175.618 175.618 175.805 -0.187 18987 2923 1 5 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.617 0.393 18987 2924 1 5 . 1 1 88 88 ASP CB C 88 41.020 41.020 42.996 -1.976 18987 2925 1 5 . 1 1 88 88 ASP H H 88 7.104 7.104 7.706 -0.602 18987 2926 1 5 . 1 1 89 89 GLY N N 89 111.841 111.841 110.247 1.594 18987 2927 1 5 . 1 1 89 89 GLY C C 89 176.171 176.171 174.834 1.337 18987 2928 1 5 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.508 1.172 18987 2929 1 5 . 1 1 89 89 GLY H H 89 9.325 9.325 8.487 0.838 18987 2930 1 5 . 1 1 90 90 MET N N 90 117.877 117.877 117.271 0.606 18987 2931 1 5 . 1 1 90 90 MET HA H 90 4.075 4.075 4.281 -0.206 18987 2932 1 5 . 1 1 90 90 MET C C 90 178.456 178.456 178.011 0.445 18987 2933 1 5 . 1 1 90 90 MET CA C 90 56.400 56.400 56.655 -0.255 18987 2934 1 5 . 1 1 90 90 MET CB C 90 30.540 30.540 31.740 -1.200 18987 2935 1 5 . 1 1 90 90 MET H H 90 8.593 8.593 7.791 0.802 18987 2936 1 5 . 1 1 91 91 LEU N N 91 118.027 118.027 118.220 -0.193 18987 2937 1 5 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.197 0.082 18987 2938 1 5 . 1 1 91 91 LEU C C 91 176.298 176.298 176.511 -0.213 18987 2939 1 5 . 1 1 91 91 LEU CA C 91 55.460 55.460 55.654 -0.194 18987 2940 1 5 . 1 1 91 91 LEU CB C 91 43.130 43.130 41.907 1.223 18987 2941 1 5 . 1 1 91 91 LEU H H 91 8.224 8.224 7.279 0.945 18987 2942 1 5 . 1 1 92 92 VAL N N 92 120.960 120.960 117.467 3.493 18987 2943 1 5 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.402 -0.401 18987 2944 1 5 . 1 1 92 92 VAL C C 92 175.990 175.990 176.136 -0.146 18987 2945 1 5 . 1 1 92 92 VAL CA C 92 61.150 61.150 61.114 0.036 18987 2946 1 5 . 1 1 92 92 VAL CB C 92 32.270 32.270 33.024 -0.754 18987 2947 1 5 . 1 1 92 92 VAL H H 92 7.093 7.093 7.045 0.048 18987 2948 1 5 . 1 1 93 93 LYS N N 93 130.687 130.687 124.594 6.093 18987 2949 1 5 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.271 -0.565 18987 2950 1 5 . 1 1 93 93 LYS C C 93 171.855 171.855 177.035 -5.180 18987 2951 1 5 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.525 1.395 18987 2952 1 5 . 1 1 93 93 LYS CB C 93 32.800 32.800 31.561 1.239 18987 2953 1 5 . 1 1 93 93 LYS H H 93 8.442 8.442 8.131 0.311 18987 2954 1 5 . 1 1 94 94 ARG N N 94 115.791 115.791 123.605 -7.814 18987 2955 1 5 . 1 1 94 94 ARG H H 94 7.676 7.676 8.438 -0.762 18987 2956 1 5 . 1 1 95 95 PRO C C 95 175.108 175.108 175.430 -0.322 18987 2957 1 5 . 1 1 96 96 LEU N N 96 128.494 128.494 126.080 2.414 18987 2958 1 5 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.503 -0.522 18987 2959 1 5 . 1 1 96 96 LEU C C 96 173.216 173.216 174.272 -1.056 18987 2960 1 5 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.498 1.372 18987 2961 1 5 . 1 1 96 96 LEU CB C 96 43.660 43.660 46.956 -3.296 18987 2962 1 5 . 1 1 96 96 LEU H H 96 8.246 8.246 8.582 -0.336 18987 2963 1 5 . 1 1 97 97 ALA N N 97 131.035 131.035 126.599 4.436 18987 2964 1 5 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.492 0.378 18987 2965 1 5 . 1 1 97 97 ALA C C 97 174.938 174.938 175.140 -0.202 18987 2966 1 5 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.285 -1.435 18987 2967 1 5 . 1 1 97 97 ALA CB C 97 20.070 20.070 21.869 -1.798 18987 2968 1 5 . 1 1 97 97 ALA H H 97 8.839 8.839 9.052 -0.213 18987 2969 1 5 . 1 1 98 98 VAL N N 98 119.830 119.830 125.139 -5.309 18987 2970 1 5 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.041 0.515 18987 2971 1 5 . 1 1 98 98 VAL C C 98 173.896 173.896 173.849 0.047 18987 2972 1 5 . 1 1 98 98 VAL CA C 98 59.270 59.270 60.747 -1.477 18987 2973 1 5 . 1 1 98 98 VAL CB C 98 35.970 35.970 36.391 -0.421 18987 2974 1 5 . 1 1 98 98 VAL H H 98 8.824 8.824 8.807 0.017 18987 2975 1 5 . 1 1 99 99 MET N N 99 127.537 127.537 125.324 2.213 18987 2976 1 5 . 1 1 99 99 MET HA H 99 4.430 4.430 4.919 -0.489 18987 2977 1 5 . 1 1 99 99 MET CA C 99 56.710 56.710 53.628 3.082 18987 2978 1 5 . 1 1 99 99 MET CB C 99 31.050 31.050 36.731 -5.681 18987 2979 1 5 . 1 1 99 99 MET H H 99 8.873 8.873 8.656 0.217 18987 2980 1 5 . 1 1 100 100 GLY C C 100 173.024 173.024 174.832 -1.808 18987 2981 1 5 . 1 1 100 100 GLY CA C 100 47.970 47.970 47.100 0.870 18987 2982 1 5 . 1 1 101 101 ASP N N 101 124.308 124.308 115.384 8.924 18987 2983 1 5 . 1 1 101 101 ASP HA H 101 4.199 4.199 5.042 -0.843 18987 2984 1 5 . 1 1 101 101 ASP C C 101 175.172 175.172 176.164 -0.992 18987 2985 1 5 . 1 1 101 101 ASP CA C 101 53.310 53.310 53.525 -0.215 18987 2986 1 5 . 1 1 101 101 ASP CB C 101 40.170 40.170 42.145 -1.975 18987 2987 1 5 . 1 1 101 101 ASP H H 101 8.257 8.257 7.936 0.321 18987 2988 1 5 . 1 1 102 102 LYS N N 102 121.002 121.002 118.900 2.102 18987 2989 1 5 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.671 -0.265 18987 2990 1 5 . 1 1 102 102 LYS C C 102 174.257 174.257 174.020 0.237 18987 2991 1 5 . 1 1 102 102 LYS CA C 102 55.370 55.370 55.281 0.089 18987 2992 1 5 . 1 1 102 102 LYS CB C 102 36.230 36.230 35.429 0.801 18987 2993 1 5 . 1 1 102 102 LYS H H 102 8.108 8.108 7.947 0.161 18987 2994 1 5 . 1 1 103 103 ILE N N 103 118.488 118.488 120.117 -1.629 18987 2995 1 5 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.162 0.697 18987 2996 1 5 . 1 1 103 103 ILE C C 103 173.652 173.652 174.077 -0.425 18987 2997 1 5 . 1 1 103 103 ILE CA C 103 58.620 58.620 59.644 -1.024 18987 2998 1 5 . 1 1 103 103 ILE CB C 103 42.250 42.250 41.876 0.374 18987 2999 1 5 . 1 1 103 103 ILE H H 103 8.038 8.038 8.136 -0.098 18987 3000 1 5 . 1 1 104 104 THR N N 104 115.441 115.441 118.834 -3.393 18987 3001 1 5 . 1 1 104 104 THR HA H 104 4.524 4.524 4.659 -0.135 18987 3002 1 5 . 1 1 104 104 THR C C 104 173.503 173.503 172.759 0.744 18987 3003 1 5 . 1 1 104 104 THR CA C 104 60.660 60.660 60.635 0.025 18987 3004 1 5 . 1 1 104 104 THR CB C 104 72.460 72.460 71.646 0.814 18987 3005 1 5 . 1 1 104 104 THR H H 104 9.360 9.360 9.091 0.269 18987 3006 1 5 . 1 1 105 105 LEU N N 105 123.352 123.352 126.757 -3.405 18987 3007 1 5 . 1 1 105 105 LEU HA H 105 5.023 5.023 4.727 0.296 18987 3008 1 5 . 1 1 105 105 LEU C C 105 178.860 178.860 177.517 1.343 18987 3009 1 5 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.081 -1.041 18987 3010 1 5 . 1 1 105 105 LEU CB C 105 44.290 44.290 43.884 0.406 18987 3011 1 5 . 1 1 105 105 LEU H H 105 8.857 8.857 8.629 0.228 18987 3012 1 5 . 1 1 106 106 GLY N N 106 108.363 108.363 111.700 -3.337 18987 3013 1 5 . 1 1 106 106 GLY C C 106 172.100 172.100 173.397 -1.297 18987 3014 1 5 . 1 1 106 106 GLY CA C 106 44.870 44.870 44.553 0.316 18987 3015 1 5 . 1 1 106 106 GLY H H 106 8.241 8.241 8.434 -0.193 18987 3016 1 5 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.765 -0.077 18987 3017 1 5 . 1 1 107 107 PHE CA C 107 58.000 58.000 57.793 0.207 18987 3018 1 5 . 1 1 107 107 PHE CB C 107 41.620 41.620 39.229 2.391 18987 3019 1 5 . 1 1 108 108 LYS N N 108 129.677 129.677 128.351 1.326 18987 3020 1 5 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.219 -0.317 18987 3021 1 5 . 1 1 108 108 LYS CA C 108 54.650 54.650 54.777 -0.127 18987 3022 1 5 . 1 1 108 108 LYS CB C 108 34.130 34.130 33.837 0.293 18987 3023 1 5 . 1 1 108 108 LYS H H 108 7.351 7.351 7.186 0.165 18987 3024 1 5 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.335 -0.375 18987 3025 1 5 . 1 1 109 109 GLU C C 109 177.255 177.255 177.601 -0.346 18987 3026 1 5 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.950 0.890 18987 3027 1 5 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.509 -0.209 18987 3028 1 5 . 1 1 110 110 ASP N N 110 115.831 115.831 118.599 -2.768 18987 3029 1 5 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.218 -0.061 18987 3030 1 5 . 1 1 110 110 ASP C C 110 178.456 178.456 178.211 0.245 18987 3031 1 5 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.777 -0.867 18987 3032 1 5 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.305 -1.095 18987 3033 1 5 . 1 1 110 110 ASP H H 110 8.654 8.654 8.328 0.326 18987 3034 1 5 . 1 1 111 111 GLN N N 111 119.458 119.458 117.072 2.386 18987 3035 1 5 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.912 0.169 18987 3036 1 5 . 1 1 111 111 GLN C C 111 179.189 179.189 178.486 0.703 18987 3037 1 5 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.340 -0.200 18987 3038 1 5 . 1 1 111 111 GLN CB C 111 28.850 28.850 27.982 0.868 18987 3039 1 5 . 1 1 111 111 GLN H H 111 6.993 6.993 8.218 -1.225 18987 3040 1 5 . 1 1 112 112 TYR N N 112 124.973 124.973 119.171 5.802 18987 3041 1 5 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.125 -0.198 18987 3042 1 5 . 1 1 112 112 TYR C C 112 178.254 178.254 178.009 0.245 18987 3043 1 5 . 1 1 112 112 TYR CA C 112 62.690 62.690 60.886 1.804 18987 3044 1 5 . 1 1 112 112 TYR CB C 112 36.660 36.660 37.680 -1.020 18987 3045 1 5 . 1 1 112 112 TYR H H 112 8.289 8.289 7.866 0.423 18987 3046 1 5 . 1 1 113 113 LYS N N 113 118.329 118.329 118.725 -0.396 18987 3047 1 5 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.074 -0.161 18987 3048 1 5 . 1 1 113 113 LYS C C 113 178.296 178.296 178.405 -0.109 18987 3049 1 5 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.632 1.448 18987 3050 1 5 . 1 1 113 113 LYS CB C 113 32.810 32.810 31.761 1.049 18987 3051 1 5 . 1 1 113 113 LYS H H 113 8.310 8.310 8.105 0.205 18987 3052 1 5 . 1 1 114 114 GLU N N 114 115.605 115.605 117.305 -1.700 18987 3053 1 5 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.128 -0.232 18987 3054 1 5 . 1 1 114 114 GLU C C 114 177.308 177.308 177.945 -0.637 18987 3055 1 5 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.459 -0.149 18987 3056 1 5 . 1 1 114 114 GLU CB C 114 30.140 30.140 29.470 0.670 18987 3057 1 5 . 1 1 114 114 GLU H H 114 7.603 7.603 7.738 -0.135 18987 3058 1 5 . 1 1 115 115 THR N N 115 112.256 112.256 113.617 -1.361 18987 3059 1 5 . 1 1 115 115 THR HA H 115 3.666 3.666 4.190 -0.524 18987 3060 1 5 . 1 1 115 115 THR C C 115 174.672 174.672 175.069 -0.397 18987 3061 1 5 . 1 1 115 115 THR CA C 115 65.710 65.710 64.611 1.099 18987 3062 1 5 . 1 1 115 115 THR CB C 115 68.700 68.700 69.091 -0.391 18987 3063 1 5 . 1 1 115 115 THR H H 115 7.591 7.591 7.837 -0.246 18987 3064 1 5 . 1 1 116 116 TRP N N 116 116.495 116.495 121.178 -4.683 18987 3065 1 5 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.558 0.745 18987 3066 1 5 . 1 1 116 116 TRP C C 116 176.553 176.553 177.008 -0.455 18987 3067 1 5 . 1 1 116 116 TRP CA C 116 55.620 55.620 58.018 -2.398 18987 3068 1 5 . 1 1 116 116 TRP CB C 116 31.430 31.430 29.870 1.560 18987 3069 1 5 . 1 1 116 116 TRP H H 116 7.661 7.661 7.662 -0.001 18987 3070 1 5 . 1 1 117 117 LEU N N 117 116.588 116.588 119.060 -2.472 18987 3071 1 5 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.680 -0.078 18987 3072 1 5 . 1 1 117 117 LEU C C 117 175.788 175.788 176.927 -1.139 18987 3073 1 5 . 1 1 117 117 LEU CA C 117 53.860 53.860 54.309 -0.449 18987 3074 1 5 . 1 1 117 117 LEU CB C 117 40.880 40.880 42.962 -2.082 18987 3075 1 5 . 1 1 117 117 LEU H H 117 6.922 6.922 7.452 -0.530 18987 3076 1 6 . 1 1 2 2 ILE N N 2 124.348 124.348 122.102 2.246 18987 3077 1 6 . 1 1 2 2 ILE HA H 2 3.576 3.576 3.928 -0.352 18987 3078 1 6 . 1 1 2 2 ILE C C 2 175.884 175.884 175.992 -0.108 18987 3079 1 6 . 1 1 2 2 ILE CA C 2 62.790 62.790 61.985 0.805 18987 3080 1 6 . 1 1 2 2 ILE CB C 2 40.400 40.400 37.048 3.352 18987 3081 1 6 . 1 1 2 2 ILE H H 2 7.539 7.539 8.429 -0.890 18987 3082 1 6 . 1 1 3 3 LYS N N 3 128.600 128.600 128.294 0.306 18987 3083 1 6 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.130 0.205 18987 3084 1 6 . 1 1 3 3 LYS C C 3 173.322 173.322 175.838 -2.516 18987 3085 1 6 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.767 1.863 18987 3086 1 6 . 1 1 3 3 LYS CB C 3 32.800 32.800 30.557 2.243 18987 3087 1 6 . 1 1 3 3 LYS H H 3 8.524 8.524 8.540 -0.016 18987 3088 1 6 . 1 1 4 4 PHE N N 4 128.560 128.560 127.425 1.135 18987 3089 1 6 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.655 0.180 18987 3090 1 6 . 1 1 4 4 PHE C C 4 172.546 172.546 173.845 -1.299 18987 3091 1 6 . 1 1 4 4 PHE CA C 4 56.570 56.570 55.836 0.734 18987 3092 1 6 . 1 1 4 4 PHE CB C 4 42.600 42.600 38.716 3.884 18987 3093 1 6 . 1 1 4 4 PHE H H 4 8.412 8.412 8.059 0.353 18987 3094 1 6 . 1 1 5 5 TYR N N 5 125.785 125.785 127.442 -1.657 18987 3095 1 6 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.232 -0.106 18987 3096 1 6 . 1 1 5 5 TYR C C 5 175.852 175.852 174.971 0.881 18987 3097 1 6 . 1 1 5 5 TYR CA C 5 57.980 57.980 57.697 0.283 18987 3098 1 6 . 1 1 5 5 TYR CB C 5 38.550 38.550 39.214 -0.664 18987 3099 1 6 . 1 1 5 5 TYR H H 5 9.313 9.313 8.480 0.833 18987 3100 1 6 . 1 1 6 6 GLN N N 6 117.436 117.436 119.561 -2.125 18987 3101 1 6 . 1 1 6 6 GLN HA H 6 4.622 4.622 4.959 -0.337 18987 3102 1 6 . 1 1 6 6 GLN C C 6 171.951 171.951 173.658 -1.707 18987 3103 1 6 . 1 1 6 6 GLN CA C 6 53.430 53.430 54.115 -0.685 18987 3104 1 6 . 1 1 6 6 GLN CB C 6 30.490 30.490 31.916 -1.427 18987 3105 1 6 . 1 1 6 6 GLN H H 6 9.110 9.110 8.795 0.315 18987 3106 1 6 . 1 1 7 7 TYR N N 7 116.309 116.309 122.014 -5.705 18987 3107 1 6 . 1 1 7 7 TYR HA H 7 4.953 4.953 4.720 0.233 18987 3108 1 6 . 1 1 7 7 TYR CA C 7 56.130 56.130 57.391 -1.261 18987 3109 1 6 . 1 1 7 7 TYR CB C 7 42.860 42.860 39.562 3.298 18987 3110 1 6 . 1 1 7 7 TYR H H 7 7.075 7.075 8.569 -1.494 18987 3111 1 6 . 1 1 12 12 THR HA H 12 3.868 3.868 3.856 0.012 18987 3112 1 6 . 1 1 12 12 THR C C 12 176.203 176.203 175.681 0.522 18987 3113 1 6 . 1 1 12 12 THR CA C 12 65.930 65.930 64.573 1.357 18987 3114 1 6 . 1 1 12 12 THR CB C 12 68.630 68.630 69.288 -0.658 18987 3115 1 6 . 1 1 13 13 CYS N N 13 116.721 116.721 121.442 -4.721 18987 3116 1 6 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.232 -0.001 18987 3117 1 6 . 1 1 13 13 CYS C C 13 174.938 174.938 176.418 -1.480 18987 3118 1 6 . 1 1 13 13 CYS CA C 13 63.790 63.790 63.614 0.176 18987 3119 1 6 . 1 1 13 13 CYS CB C 13 33.590 33.590 27.946 5.644 18987 3120 1 6 . 1 1 13 13 CYS H H 13 8.441 8.441 8.634 -0.193 18987 3121 1 6 . 1 1 14 14 LYS N N 14 119.429 119.429 118.289 1.140 18987 3122 1 6 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.115 -0.078 18987 3123 1 6 . 1 1 14 14 LYS C C 14 179.370 179.370 179.077 0.293 18987 3124 1 6 . 1 1 14 14 LYS CA C 14 59.150 59.150 58.568 0.582 18987 3125 1 6 . 1 1 14 14 LYS CB C 14 32.270 32.270 31.859 0.411 18987 3126 1 6 . 1 1 14 14 LYS H H 14 7.805 7.805 7.747 0.058 18987 3127 1 6 . 1 1 15 15 LYS N N 15 119.379 119.379 119.664 -0.285 18987 3128 1 6 . 1 1 15 15 LYS HA H 15 3.677 3.677 4.184 -0.507 18987 3129 1 6 . 1 1 15 15 LYS C C 15 177.999 177.999 178.814 -0.815 18987 3130 1 6 . 1 1 15 15 LYS CA C 15 59.270 59.270 58.947 0.323 18987 3131 1 6 . 1 1 15 15 LYS CB C 15 32.630 32.630 32.074 0.556 18987 3132 1 6 . 1 1 15 15 LYS H H 15 7.612 7.612 7.457 0.155 18987 3133 1 6 . 1 1 16 16 ALA N N 16 122.940 122.940 121.617 1.323 18987 3134 1 6 . 1 1 16 16 ALA HA H 16 2.906 2.906 4.204 -1.298 18987 3135 1 6 . 1 1 16 16 ALA C C 16 177.999 177.999 179.277 -1.278 18987 3136 1 6 . 1 1 16 16 ALA CA C 16 54.370 54.370 54.959 -0.589 18987 3137 1 6 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.114 1.156 18987 3138 1 6 . 1 1 16 16 ALA H H 16 7.346 7.346 8.152 -0.806 18987 3139 1 6 . 1 1 17 17 ALA N N 17 120.093 120.093 120.595 -0.502 18987 3140 1 6 . 1 1 17 17 ALA HA H 17 2.965 2.965 2.734 0.231 18987 3141 1 6 . 1 1 17 17 ALA C C 17 178.466 178.466 178.897 -0.431 18987 3142 1 6 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.694 0.176 18987 3143 1 6 . 1 1 17 17 ALA CB C 17 17.270 17.270 18.022 -0.752 18987 3144 1 6 . 1 1 17 17 ALA H H 17 7.959 7.959 8.030 -0.071 18987 3145 1 6 . 1 1 18 18 LYS N N 18 115.894 115.894 119.499 -3.605 18987 3146 1 6 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.098 -0.133 18987 3147 1 6 . 1 1 18 18 LYS C C 18 178.647 178.647 178.537 0.110 18987 3148 1 6 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.613 0.297 18987 3149 1 6 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.102 0.078 18987 3150 1 6 . 1 1 18 18 LYS H H 18 7.565 7.565 7.801 -0.236 18987 3151 1 6 . 1 1 19 19 PHE N N 19 120.854 120.854 120.157 0.697 18987 3152 1 6 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.296 -0.057 18987 3153 1 6 . 1 1 19 19 PHE C C 19 176.925 176.925 177.458 -0.533 18987 3154 1 6 . 1 1 19 19 PHE CA C 19 61.730 61.730 60.540 1.190 18987 3155 1 6 . 1 1 19 19 PHE CB C 19 39.140 39.140 39.015 0.125 18987 3156 1 6 . 1 1 19 19 PHE H H 19 7.496 7.496 7.877 -0.381 18987 3157 1 6 . 1 1 20 20 LEU N N 20 118.913 118.913 119.397 -0.484 18987 3158 1 6 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.538 0.360 18987 3159 1 6 . 1 1 20 20 LEU C C 20 179.657 179.657 178.396 1.261 18987 3160 1 6 . 1 1 20 20 LEU CA C 20 58.330 58.330 57.964 0.366 18987 3161 1 6 . 1 1 20 20 LEU CB C 20 40.460 40.460 41.234 -0.774 18987 3162 1 6 . 1 1 20 20 LEU H H 20 8.012 8.012 7.751 0.261 18987 3163 1 6 . 1 1 21 21 ASP N N 21 118.448 118.448 117.757 0.691 18987 3164 1 6 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.387 0.069 18987 3165 1 6 . 1 1 21 21 ASP C C 21 180.358 180.358 178.725 1.633 18987 3166 1 6 . 1 1 21 21 ASP CA C 21 57.680 57.680 57.199 0.481 18987 3167 1 6 . 1 1 21 21 ASP CB C 21 40.520 40.520 41.004 -0.484 18987 3168 1 6 . 1 1 21 21 ASP H H 21 8.814 8.814 8.074 0.740 18987 3169 1 6 . 1 1 22 22 GLU N N 22 122.661 122.661 119.516 3.145 18987 3170 1 6 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.148 -0.406 18987 3171 1 6 . 1 1 22 22 GLU C C 22 178.371 178.371 178.263 0.108 18987 3172 1 6 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.664 0.576 18987 3173 1 6 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.624 -0.844 18987 3174 1 6 . 1 1 22 22 GLU H H 22 8.544 8.544 7.925 0.619 18987 3175 1 6 . 1 1 23 23 TYR N N 23 114.768 114.768 116.622 -1.854 18987 3176 1 6 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.485 -0.235 18987 3177 1 6 . 1 1 23 23 TYR C C 23 175.724 175.724 176.102 -0.378 18987 3178 1 6 . 1 1 23 23 TYR CA C 23 59.070 59.070 57.835 1.235 18987 3179 1 6 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.398 0.622 18987 3180 1 6 . 1 1 23 23 TYR H H 23 7.522 7.522 7.787 -0.265 18987 3181 1 6 . 1 1 24 24 GLY N N 24 110.449 110.449 107.437 3.012 18987 3182 1 6 . 1 1 24 24 GLY C C 24 174.534 174.534 174.697 -0.163 18987 3183 1 6 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.340 1.780 18987 3184 1 6 . 1 1 24 24 GLY H H 24 7.792 7.792 7.508 0.284 18987 3185 1 6 . 1 1 25 25 VAL N N 25 122.714 122.714 120.926 1.788 18987 3186 1 6 . 1 1 25 25 VAL HA H 25 3.959 3.959 4.072 -0.113 18987 3187 1 6 . 1 1 25 25 VAL C C 25 176.266 176.266 176.025 0.241 18987 3188 1 6 . 1 1 25 25 VAL CA C 25 62.000 62.000 62.660 -0.660 18987 3189 1 6 . 1 1 25 25 VAL CB C 25 32.480 32.480 32.179 0.301 18987 3190 1 6 . 1 1 25 25 VAL H H 25 8.393 8.393 7.721 0.672 18987 3191 1 6 . 1 1 26 26 SER N N 26 123.498 123.498 122.397 1.101 18987 3192 1 6 . 1 1 26 26 SER HA H 26 4.351 4.351 4.412 -0.061 18987 3193 1 6 . 1 1 26 26 SER C C 26 173.513 173.513 173.480 0.033 18987 3194 1 6 . 1 1 26 26 SER CA C 26 59.040 59.040 58.423 0.617 18987 3195 1 6 . 1 1 26 26 SER CB C 26 63.530 63.530 63.763 -0.233 18987 3196 1 6 . 1 1 26 26 SER H H 26 8.559 8.559 8.419 0.140 18987 3197 1 6 . 1 1 27 27 TYR N N 27 119.756 119.756 119.395 0.361 18987 3198 1 6 . 1 1 27 27 TYR HA H 27 4.983 4.983 4.920 0.063 18987 3199 1 6 . 1 1 27 27 TYR C C 27 172.355 172.355 173.604 -1.249 18987 3200 1 6 . 1 1 27 27 TYR CA C 27 55.750 55.750 55.386 0.364 18987 3201 1 6 . 1 1 27 27 TYR CB C 27 40.730 40.730 40.706 0.024 18987 3202 1 6 . 1 1 27 27 TYR H H 27 7.838 7.838 8.048 -0.210 18987 3203 1 6 . 1 1 28 28 GLU N N 28 123.126 123.126 120.002 3.124 18987 3204 1 6 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.763 -0.035 18987 3205 1 6 . 1 1 28 28 GLU CA C 28 51.420 51.420 52.092 -0.672 18987 3206 1 6 . 1 1 28 28 GLU CB C 28 31.790 31.790 32.332 -0.542 18987 3207 1 6 . 1 1 28 28 GLU H H 28 9.006 9.006 9.021 -0.015 18987 3208 1 6 . 1 1 29 29 PRO HA H 29 5.619 5.619 4.939 0.680 18987 3209 1 6 . 1 1 29 29 PRO C C 29 177.276 177.276 176.075 1.201 18987 3210 1 6 . 1 1 29 29 PRO CA C 29 61.820 61.820 62.792 -0.972 18987 3211 1 6 . 1 1 29 29 PRO CB C 29 31.890 31.890 30.788 1.102 18987 3212 1 6 . 1 1 30 30 ILE N N 30 127.043 127.043 119.319 7.724 18987 3213 1 6 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.125 -0.021 18987 3214 1 6 . 1 1 30 30 ILE C C 30 174.948 174.948 174.488 0.460 18987 3215 1 6 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.578 1.782 18987 3216 1 6 . 1 1 30 30 ILE CB C 30 42.210 42.210 39.677 2.533 18987 3217 1 6 . 1 1 30 30 ILE H H 30 9.148 9.148 7.977 1.171 18987 3218 1 6 . 1 1 31 31 ASP N N 31 128.946 128.946 124.265 4.681 18987 3219 1 6 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.397 -0.505 18987 3220 1 6 . 1 1 31 31 ASP C C 31 176.373 176.373 177.624 -1.251 18987 3221 1 6 . 1 1 31 31 ASP CA C 31 54.600 54.600 55.677 -1.077 18987 3222 1 6 . 1 1 31 31 ASP CB C 31 42.920 42.920 41.420 1.500 18987 3223 1 6 . 1 1 31 31 ASP H H 31 9.092 9.092 8.468 0.624 18987 3224 1 6 . 1 1 32 32 ILE N N 32 127.576 127.576 127.974 -0.398 18987 3225 1 6 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.161 -0.069 18987 3226 1 6 . 1 1 32 32 ILE C C 32 174.013 174.013 176.328 -2.315 18987 3227 1 6 . 1 1 32 32 ILE CA C 32 62.520 62.520 63.812 -1.292 18987 3228 1 6 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.525 2.225 18987 3229 1 6 . 1 1 32 32 ILE H H 32 9.362 9.362 8.362 1.000 18987 3230 1 6 . 1 1 33 33 VAL N N 33 123.498 123.498 117.565 5.933 18987 3231 1 6 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.905 -0.262 18987 3232 1 6 . 1 1 33 33 VAL C C 33 176.819 176.819 177.893 -1.074 18987 3233 1 6 . 1 1 33 33 VAL CA C 33 65.050 65.050 64.209 0.841 18987 3234 1 6 . 1 1 33 33 VAL CB C 33 31.970 31.970 30.850 1.120 18987 3235 1 6 . 1 1 33 33 VAL H H 33 8.445 8.445 8.038 0.407 18987 3236 1 6 . 1 1 34 34 GLN N N 34 119.897 119.897 118.490 1.407 18987 3237 1 6 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.130 -0.177 18987 3238 1 6 . 1 1 34 34 GLN C C 34 176.734 176.734 176.496 0.238 18987 3239 1 6 . 1 1 34 34 GLN CA C 34 57.540 57.540 58.062 -0.522 18987 3240 1 6 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.320 0.540 18987 3241 1 6 . 1 1 34 34 GLN H H 34 8.650 8.650 8.309 0.341 18987 3242 1 6 . 1 1 35 35 HIS N N 35 118.090 118.090 116.883 1.207 18987 3243 1 6 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.945 0.019 18987 3244 1 6 . 1 1 35 35 HIS C C 35 173.758 173.758 174.189 -0.431 18987 3245 1 6 . 1 1 35 35 HIS CA C 35 53.660 53.660 55.092 -1.432 18987 3246 1 6 . 1 1 35 35 HIS CB C 35 29.190 29.190 29.974 -0.784 18987 3247 1 6 . 1 1 35 35 HIS H H 35 8.178 8.178 7.987 0.191 18987 3248 1 6 . 1 1 36 36 THR N N 36 118.794 118.794 118.913 -0.119 18987 3249 1 6 . 1 1 36 36 THR HA H 36 4.142 4.142 4.388 -0.246 18987 3250 1 6 . 1 1 36 36 THR CA C 36 62.080 62.080 62.017 0.062 18987 3251 1 6 . 1 1 36 36 THR CB C 36 70.180 70.180 69.009 1.171 18987 3252 1 6 . 1 1 36 36 THR H H 36 7.468 7.468 7.520 -0.052 18987 3253 1 6 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.325 -0.050 18987 3254 1 6 . 1 1 37 37 PRO C C 37 174.970 174.970 176.255 -1.285 18987 3255 1 6 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.747 0.223 18987 3256 1 6 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.506 -2.075 18987 3257 1 6 . 1 1 38 38 THR N N 38 111.512 111.512 112.988 -1.476 18987 3258 1 6 . 1 1 38 38 THR HA H 38 4.298 4.298 4.293 0.005 18987 3259 1 6 . 1 1 38 38 THR C C 38 175.756 175.756 176.573 -0.817 18987 3260 1 6 . 1 1 38 38 THR CA C 38 60.700 60.700 61.206 -0.506 18987 3261 1 6 . 1 1 38 38 THR CB C 38 71.560 71.560 69.759 1.801 18987 3262 1 6 . 1 1 38 38 THR H H 38 8.220 8.220 7.914 0.306 18987 3263 1 6 . 1 1 39 39 ILE N N 39 119.950 119.950 120.690 -0.740 18987 3264 1 6 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.855 -0.178 18987 3265 1 6 . 1 1 39 39 ILE C C 39 177.871 177.871 177.627 0.244 18987 3266 1 6 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.455 1.645 18987 3267 1 6 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.743 0.397 18987 3268 1 6 . 1 1 39 39 ILE H H 39 8.763 8.763 8.581 0.182 18987 3269 1 6 . 1 1 40 40 ASN N N 40 116.189 116.189 117.966 -1.777 18987 3270 1 6 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.476 -0.127 18987 3271 1 6 . 1 1 40 40 ASN C C 40 178.445 178.445 177.643 0.802 18987 3272 1 6 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.314 0.016 18987 3273 1 6 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.482 0.458 18987 3274 1 6 . 1 1 40 40 ASN H H 40 8.180 8.180 8.449 -0.269 18987 3275 1 6 . 1 1 41 41 GLU N N 41 121.970 121.970 120.684 1.286 18987 3276 1 6 . 1 1 41 41 GLU HA H 41 3.915 3.915 4.105 -0.190 18987 3277 1 6 . 1 1 41 41 GLU C C 41 180.093 180.093 179.019 1.074 18987 3278 1 6 . 1 1 41 41 GLU CA C 41 59.590 59.590 59.107 0.483 18987 3279 1 6 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.242 0.508 18987 3280 1 6 . 1 1 41 41 GLU H H 41 7.782 7.782 8.008 -0.226 18987 3281 1 6 . 1 1 42 42 PHE N N 42 118.929 118.929 119.320 -0.391 18987 3282 1 6 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.144 0.026 18987 3283 1 6 . 1 1 42 42 PHE C C 42 178.488 178.488 177.497 0.991 18987 3284 1 6 . 1 1 42 42 PHE CA C 42 63.020 63.020 61.854 1.166 18987 3285 1 6 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.775 0.455 18987 3286 1 6 . 1 1 42 42 PHE H H 42 8.776 8.776 8.474 0.302 18987 3287 1 6 . 1 1 43 43 LYS N N 43 118.820 118.820 118.400 0.420 18987 3288 1 6 . 1 1 43 43 LYS HA H 43 3.795 3.795 4.037 -0.242 18987 3289 1 6 . 1 1 43 43 LYS C C 43 179.816 179.816 179.387 0.429 18987 3290 1 6 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.483 1.667 18987 3291 1 6 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.965 0.275 18987 3292 1 6 . 1 1 43 43 LYS H H 43 8.775 8.775 8.204 0.571 18987 3293 1 6 . 1 1 44 44 THR N N 44 118.754 118.754 117.750 1.004 18987 3294 1 6 . 1 1 44 44 THR HA H 44 3.894 3.894 4.072 -0.178 18987 3295 1 6 . 1 1 44 44 THR C C 44 175.214 175.214 176.486 -1.272 18987 3296 1 6 . 1 1 44 44 THR CA C 44 66.900 66.900 66.661 0.239 18987 3297 1 6 . 1 1 44 44 THR CB C 44 68.920 68.920 68.801 0.119 18987 3298 1 6 . 1 1 44 44 THR H H 44 7.959 7.959 8.027 -0.068 18987 3299 1 6 . 1 1 45 45 ILE N N 45 122.671 122.671 118.808 3.863 18987 3300 1 6 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.859 -0.052 18987 3301 1 6 . 1 1 45 45 ILE C C 45 180.273 180.273 178.024 2.249 18987 3302 1 6 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.877 1.173 18987 3303 1 6 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.317 1.433 18987 3304 1 6 . 1 1 45 45 ILE H H 45 8.100 8.100 7.749 0.351 18987 3305 1 6 . 1 1 46 46 ILE N N 46 123.392 123.392 121.072 2.320 18987 3306 1 6 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.934 -0.409 18987 3307 1 6 . 1 1 46 46 ILE C C 46 178.509 178.509 177.426 1.083 18987 3308 1 6 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.642 1.168 18987 3309 1 6 . 1 1 46 46 ILE CB C 46 38.110 38.110 38.005 0.105 18987 3310 1 6 . 1 1 46 46 ILE H H 46 8.778 8.778 8.116 0.662 18987 3311 1 6 . 1 1 47 47 ALA N N 47 123.336 123.336 121.277 2.059 18987 3312 1 6 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.108 -0.060 18987 3313 1 6 . 1 1 47 47 ALA C C 47 180.114 180.114 179.181 0.933 18987 3314 1 6 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.779 0.121 18987 3315 1 6 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.353 -0.023 18987 3316 1 6 . 1 1 47 47 ALA H H 47 8.232 8.232 7.851 0.381 18987 3317 1 6 . 1 1 48 48 ASN N N 48 114.090 114.090 115.436 -1.346 18987 3318 1 6 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.599 -0.109 18987 3319 1 6 . 1 1 48 48 ASN C C 48 177.776 177.776 177.117 0.659 18987 3320 1 6 . 1 1 48 48 ASN CA C 48 55.070 55.070 56.047 -0.977 18987 3321 1 6 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.407 -0.737 18987 3322 1 6 . 1 1 48 48 ASN H H 48 8.464 8.464 8.125 0.339 18987 3323 1 6 . 1 1 49 49 THR N N 49 106.742 106.742 108.683 -1.941 18987 3324 1 6 . 1 1 49 49 THR HA H 49 4.471 4.471 4.838 -0.367 18987 3325 1 6 . 1 1 49 49 THR C C 49 176.968 176.968 175.627 1.341 18987 3326 1 6 . 1 1 49 49 THR CA C 49 62.550 62.550 62.217 0.333 18987 3327 1 6 . 1 1 49 49 THR CB C 49 72.150 72.150 70.644 1.506 18987 3328 1 6 . 1 1 49 49 THR H H 49 8.035 8.035 7.993 0.042 18987 3329 1 6 . 1 1 50 50 GLY N N 50 112.246 112.246 112.242 0.004 18987 3330 1 6 . 1 1 50 50 GLY C C 50 174.055 174.055 174.548 -0.493 18987 3331 1 6 . 1 1 50 50 GLY CA C 50 45.940 45.940 45.828 0.112 18987 3332 1 6 . 1 1 50 50 GLY H H 50 8.323 8.323 7.794 0.529 18987 3333 1 6 . 1 1 51 51 VAL N N 51 121.212 121.212 118.979 2.233 18987 3334 1 6 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.160 -0.285 18987 3335 1 6 . 1 1 51 51 VAL C C 51 173.120 173.120 175.924 -2.804 18987 3336 1 6 . 1 1 51 51 VAL CA C 51 61.380 61.380 61.304 0.076 18987 3337 1 6 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.911 -2.021 18987 3338 1 6 . 1 1 51 51 VAL H H 51 7.429 7.429 7.413 0.016 18987 3339 1 6 . 1 1 52 52 GLU N N 52 126.158 126.158 125.338 0.820 18987 3340 1 6 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.281 -0.172 18987 3341 1 6 . 1 1 52 52 GLU C C 52 178.190 178.190 176.742 1.448 18987 3342 1 6 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.767 -0.527 18987 3343 1 6 . 1 1 52 52 GLU CB C 52 30.190 30.190 30.003 0.188 18987 3344 1 6 . 1 1 52 52 GLU H H 52 7.881 7.881 8.460 -0.579 18987 3345 1 6 . 1 1 53 53 ILE N N 53 125.807 125.807 126.360 -0.553 18987 3346 1 6 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.844 -0.420 18987 3347 1 6 . 1 1 53 53 ILE C C 53 177.425 177.425 177.028 0.397 18987 3348 1 6 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.405 2.375 18987 3349 1 6 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.218 -0.258 18987 3350 1 6 . 1 1 53 53 ILE H H 53 8.430 8.430 8.775 -0.345 18987 3351 1 6 . 1 1 54 54 ASN N N 54 116.588 116.588 117.768 -1.180 18987 3352 1 6 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.851 -0.395 18987 3353 1 6 . 1 1 54 54 ASN C C 54 178.807 178.807 177.202 1.605 18987 3354 1 6 . 1 1 54 54 ASN CA C 54 55.770 55.770 55.991 -0.221 18987 3355 1 6 . 1 1 54 54 ASN CB C 54 37.140 37.140 38.180 -1.040 18987 3356 1 6 . 1 1 54 54 ASN H H 54 8.585 8.585 8.355 0.230 18987 3357 1 6 . 1 1 55 55 LYS N N 55 117.013 117.013 117.478 -0.465 18987 3358 1 6 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.163 -0.061 18987 3359 1 6 . 1 1 55 55 LYS C C 55 176.819 176.819 177.014 -0.195 18987 3360 1 6 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.122 -0.562 18987 3361 1 6 . 1 1 55 55 LYS CB C 55 32.180 32.180 31.661 0.519 18987 3362 1 6 . 1 1 55 55 LYS H H 55 7.661 7.661 8.336 -0.675 18987 3363 1 6 . 1 1 56 56 LEU N N 56 114.768 114.768 118.802 -4.034 18987 3364 1 6 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.252 -0.325 18987 3365 1 6 . 1 1 56 56 LEU C C 56 176.702 176.702 176.678 0.024 18987 3366 1 6 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.688 0.232 18987 3367 1 6 . 1 1 56 56 LEU CB C 56 42.020 42.020 41.821 0.199 18987 3368 1 6 . 1 1 56 56 LEU H H 56 7.690 7.690 7.326 0.364 18987 3369 1 6 . 1 1 57 57 PHE N N 57 114.558 114.558 117.535 -2.977 18987 3370 1 6 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.726 -0.278 18987 3371 1 6 . 1 1 57 57 PHE C C 57 176.319 176.319 178.184 -1.865 18987 3372 1 6 . 1 1 57 57 PHE CA C 57 58.470 58.470 59.179 -0.709 18987 3373 1 6 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.477 1.223 18987 3374 1 6 . 1 1 57 57 PHE H H 57 7.032 7.032 7.623 -0.591 18987 3375 1 6 . 1 1 58 58 ASN N N 58 118.674 118.674 120.394 -1.720 18987 3376 1 6 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.333 0.153 18987 3377 1 6 . 1 1 58 58 ASN CA C 58 51.540 51.540 56.652 -5.112 18987 3378 1 6 . 1 1 58 58 ASN CB C 58 36.910 36.910 38.780 -1.870 18987 3379 1 6 . 1 1 58 58 ASN H H 58 8.659 8.659 8.859 -0.200 18987 3380 1 6 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.672 -0.110 18987 3381 1 6 . 1 1 60 60 HIS C C 60 176.309 176.309 173.741 2.568 18987 3382 1 6 . 1 1 60 60 HIS CA C 60 55.920 55.920 55.850 0.070 18987 3383 1 6 . 1 1 60 60 HIS CB C 60 30.890 30.890 31.356 -0.466 18987 3384 1 6 . 1 1 61 61 GLY N N 61 106.925 106.925 110.943 -4.018 18987 3385 1 6 . 1 1 61 61 GLY CA C 61 45.180 45.180 45.992 -0.812 18987 3386 1 6 . 1 1 61 61 GLY H H 61 7.284 7.284 8.290 -1.006 18987 3387 1 6 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.168 -0.120 18987 3388 1 6 . 1 1 63 63 LYS C C 63 177.435 177.435 178.752 -1.317 18987 3389 1 6 . 1 1 63 63 LYS CA C 63 58.300 58.300 58.923 -0.623 18987 3390 1 6 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.720 -1.560 18987 3391 1 6 . 1 1 64 64 TYR N N 64 119.737 119.737 120.085 -0.348 18987 3392 1 6 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.076 -0.420 18987 3393 1 6 . 1 1 64 64 TYR C C 64 178.339 178.339 176.438 1.901 18987 3394 1 6 . 1 1 64 64 TYR CA C 64 61.610 61.610 62.095 -0.485 18987 3395 1 6 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.803 0.097 18987 3396 1 6 . 1 1 64 64 TYR H H 64 7.644 7.644 8.230 -0.586 18987 3397 1 6 . 1 1 65 65 ARG N N 65 118.236 118.236 116.673 1.563 18987 3398 1 6 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.292 -0.082 18987 3399 1 6 . 1 1 65 65 ARG C C 65 179.816 179.816 177.529 2.287 18987 3400 1 6 . 1 1 65 65 ARG CA C 65 59.090 59.090 57.924 1.166 18987 3401 1 6 . 1 1 65 65 ARG CB C 65 30.160 30.160 29.884 0.277 18987 3402 1 6 . 1 1 65 65 ARG H H 65 7.358 7.358 7.721 -0.363 18987 3403 1 6 . 1 1 66 66 GLU N N 66 123.063 123.063 121.167 1.896 18987 3404 1 6 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.160 -0.243 18987 3405 1 6 . 1 1 66 66 GLU C C 66 178.626 178.626 177.825 0.801 18987 3406 1 6 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.844 0.606 18987 3407 1 6 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.786 -0.096 18987 3408 1 6 . 1 1 66 66 GLU H H 66 8.789 8.789 7.748 1.041 18987 3409 1 6 . 1 1 67 67 LEU N N 67 115.817 115.817 116.635 -0.818 18987 3410 1 6 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.346 -0.216 18987 3411 1 6 . 1 1 67 67 LEU C C 67 176.171 176.171 175.959 0.212 18987 3412 1 6 . 1 1 67 67 LEU CA C 67 54.750 54.750 54.649 0.101 18987 3413 1 6 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.339 -0.319 18987 3414 1 6 . 1 1 67 67 LEU H H 67 7.907 7.907 7.921 -0.014 18987 3415 1 6 . 1 1 68 68 ASP N N 68 118.063 118.063 114.540 3.523 18987 3416 1 6 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.211 0.203 18987 3417 1 6 . 1 1 68 68 ASP C C 68 177.521 177.521 176.883 0.638 18987 3418 1 6 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.574 -0.173 18987 3419 1 6 . 1 1 68 68 ASP CB C 68 39.640 39.640 38.128 1.512 18987 3420 1 6 . 1 1 68 68 ASP H H 68 7.878 7.878 7.795 0.083 18987 3421 1 6 . 1 1 69 69 LEU N N 69 115.724 115.724 117.710 -1.986 18987 3422 1 6 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.606 -0.167 18987 3423 1 6 . 1 1 69 69 LEU C C 69 177.584 177.584 178.237 -0.653 18987 3424 1 6 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.383 0.097 18987 3425 1 6 . 1 1 69 69 LEU CB C 69 38.700 38.700 40.510 -1.810 18987 3426 1 6 . 1 1 69 69 LEU H H 69 7.285 7.285 7.698 -0.413 18987 3427 1 6 . 1 1 70 70 LYS N N 70 119.751 119.751 118.882 0.869 18987 3428 1 6 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.813 0.148 18987 3429 1 6 . 1 1 70 70 LYS C C 70 177.903 177.903 178.702 -0.799 18987 3430 1 6 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.739 0.741 18987 3431 1 6 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.666 0.314 18987 3432 1 6 . 1 1 70 70 LYS H H 70 8.601 8.601 7.833 0.768 18987 3433 1 6 . 1 1 71 71 ASN N N 71 113.386 113.386 115.543 -2.157 18987 3434 1 6 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.451 0.275 18987 3435 1 6 . 1 1 71 71 ASN C C 71 176.808 176.808 176.683 0.125 18987 3436 1 6 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.543 -1.173 18987 3437 1 6 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.294 1.666 18987 3438 1 6 . 1 1 71 71 ASN H H 71 6.965 6.965 7.997 -1.032 18987 3439 1 6 . 1 1 72 72 LYS N N 72 118.475 118.475 117.860 0.615 18987 3440 1 6 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.225 -0.076 18987 3441 1 6 . 1 1 72 72 LYS C C 72 178.849 178.849 178.023 0.826 18987 3442 1 6 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.387 -0.467 18987 3443 1 6 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.865 1.165 18987 3444 1 6 . 1 1 72 72 LYS H H 72 8.113 8.113 7.431 0.682 18987 3445 1 6 . 1 1 73 73 LEU N N 73 120.458 120.458 120.468 -0.010 18987 3446 1 6 . 1 1 73 73 LEU HA H 73 3.599 3.599 3.971 -0.372 18987 3447 1 6 . 1 1 73 73 LEU C C 73 178.126 178.126 178.232 -0.106 18987 3448 1 6 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.261 1.569 18987 3449 1 6 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.660 -0.760 18987 3450 1 6 . 1 1 73 73 LEU H H 73 8.549 8.549 8.308 0.241 18987 3451 1 6 . 1 1 74 74 GLN N N 74 112.719 112.719 115.308 -2.589 18987 3452 1 6 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.104 0.074 18987 3453 1 6 . 1 1 74 74 GLN C C 74 176.883 176.883 177.393 -0.510 18987 3454 1 6 . 1 1 74 74 GLN CA C 74 57.250 57.250 58.247 -0.997 18987 3455 1 6 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.187 0.243 18987 3456 1 6 . 1 1 74 74 GLN H H 74 7.918 7.918 7.801 0.117 18987 3457 1 6 . 1 1 75 75 THR N N 75 108.336 108.336 113.611 -5.275 18987 3458 1 6 . 1 1 75 75 THR HA H 75 4.410 4.410 4.416 -0.006 18987 3459 1 6 . 1 1 75 75 THR C C 75 174.619 174.619 175.090 -0.471 18987 3460 1 6 . 1 1 75 75 THR CA C 75 61.760 61.760 62.524 -0.764 18987 3461 1 6 . 1 1 75 75 THR CB C 75 69.950 69.950 70.232 -0.282 18987 3462 1 6 . 1 1 75 75 THR H H 75 7.620 7.620 7.503 0.117 18987 3463 1 6 . 1 1 76 76 LEU N N 76 122.754 122.754 120.650 2.104 18987 3464 1 6 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.549 -0.061 18987 3465 1 6 . 1 1 76 76 LEU C C 76 177.234 177.234 175.811 1.423 18987 3466 1 6 . 1 1 76 76 LEU CA C 76 54.190 54.190 53.316 0.874 18987 3467 1 6 . 1 1 76 76 LEU CB C 76 44.040 44.040 42.224 1.816 18987 3468 1 6 . 1 1 76 76 LEU H H 76 7.191 7.191 7.796 -0.605 18987 3469 1 6 . 1 1 77 77 SER N N 77 119.431 119.431 114.610 4.821 18987 3470 1 6 . 1 1 77 77 SER HA H 77 4.465 4.465 4.361 0.104 18987 3471 1 6 . 1 1 77 77 SER C C 77 175.320 175.320 175.549 -0.229 18987 3472 1 6 . 1 1 77 77 SER CA C 77 57.360 57.360 59.150 -1.790 18987 3473 1 6 . 1 1 77 77 SER CB C 77 65.080 65.080 63.905 1.175 18987 3474 1 6 . 1 1 77 77 SER H H 77 9.367 9.367 8.465 0.902 18987 3475 1 6 . 1 1 78 78 ASP N N 78 122.766 122.766 122.464 0.302 18987 3476 1 6 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.388 -0.193 18987 3477 1 6 . 1 1 78 78 ASP C C 78 178.211 178.211 177.727 0.484 18987 3478 1 6 . 1 1 78 78 ASP CA C 78 58.470 58.470 57.693 0.777 18987 3479 1 6 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.464 -1.004 18987 3480 1 6 . 1 1 78 78 ASP H H 78 9.055 9.055 8.889 0.166 18987 3481 1 6 . 1 1 79 79 ASP N N 79 117.917 117.917 118.558 -0.641 18987 3482 1 6 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.418 -0.143 18987 3483 1 6 . 1 1 79 79 ASP C C 79 179.179 179.179 178.328 0.851 18987 3484 1 6 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.831 0.169 18987 3485 1 6 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.378 -0.068 18987 3486 1 6 . 1 1 79 79 ASP H H 79 8.245 8.245 8.844 -0.599 18987 3487 1 6 . 1 1 80 80 GLU N N 80 120.229 120.229 119.388 0.841 18987 3488 1 6 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.367 -0.450 18987 3489 1 6 . 1 1 80 80 GLU C C 80 180.369 180.369 178.876 1.493 18987 3490 1 6 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.798 0.502 18987 3491 1 6 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.672 1.248 18987 3492 1 6 . 1 1 80 80 GLU H H 80 7.732 7.732 7.578 0.154 18987 3493 1 6 . 1 1 81 81 LYS N N 81 120.163 120.163 120.717 -0.554 18987 3494 1 6 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.290 -0.444 18987 3495 1 6 . 1 1 81 81 LYS C C 81 177.956 177.956 179.115 -1.159 18987 3496 1 6 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.689 1.251 18987 3497 1 6 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.541 1.079 18987 3498 1 6 . 1 1 81 81 LYS H H 81 8.340 8.340 7.736 0.604 18987 3499 1 6 . 1 1 82 82 LEU N N 82 117.478 117.478 119.225 -1.747 18987 3500 1 6 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.653 0.020 18987 3501 1 6 . 1 1 82 82 LEU C C 82 178.870 178.870 178.859 0.011 18987 3502 1 6 . 1 1 82 82 LEU CA C 82 57.770 57.770 58.026 -0.257 18987 3503 1 6 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.537 0.213 18987 3504 1 6 . 1 1 82 82 LEU H H 82 8.161 8.161 7.930 0.231 18987 3505 1 6 . 1 1 83 83 GLU N N 83 119.824 119.824 119.469 0.355 18987 3506 1 6 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.957 -0.217 18987 3507 1 6 . 1 1 83 83 GLU C C 83 179.009 179.009 179.369 -0.360 18987 3508 1 6 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.419 0.061 18987 3509 1 6 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.457 -0.117 18987 3510 1 6 . 1 1 83 83 GLU H H 83 7.999 7.999 7.767 0.232 18987 3511 1 6 . 1 1 84 84 LEU N N 84 119.684 119.684 119.813 -0.129 18987 3512 1 6 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.965 -0.023 18987 3513 1 6 . 1 1 84 84 LEU C C 84 179.264 179.264 179.178 0.086 18987 3514 1 6 . 1 1 84 84 LEU CA C 84 58.090 58.090 57.828 0.262 18987 3515 1 6 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.918 0.392 18987 3516 1 6 . 1 1 84 84 LEU H H 84 7.470 7.470 7.703 -0.233 18987 3517 1 6 . 1 1 85 85 LEU N N 85 119.086 119.086 118.575 0.511 18987 3518 1 6 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.694 -0.310 18987 3519 1 6 . 1 1 85 85 LEU C C 85 176.064 176.064 179.184 -3.120 18987 3520 1 6 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.311 0.549 18987 3521 1 6 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.109 1.251 18987 3522 1 6 . 1 1 85 85 LEU H H 85 7.726 7.726 7.706 0.020 18987 3523 1 6 . 1 1 86 86 SER N N 86 105.708 105.708 112.742 -7.034 18987 3524 1 6 . 1 1 86 86 SER HA H 86 4.283 4.283 4.689 -0.406 18987 3525 1 6 . 1 1 86 86 SER C C 86 176.351 176.351 175.934 0.417 18987 3526 1 6 . 1 1 86 86 SER CA C 86 60.380 60.380 60.383 -0.003 18987 3527 1 6 . 1 1 86 86 SER CB C 86 64.400 64.400 63.340 1.060 18987 3528 1 6 . 1 1 86 86 SER H H 86 7.617 7.617 8.000 -0.383 18987 3529 1 6 . 1 1 87 87 SER N N 87 115.392 115.392 115.836 -0.444 18987 3530 1 6 . 1 1 87 87 SER HA H 87 4.345 4.345 4.459 -0.114 18987 3531 1 6 . 1 1 87 87 SER C C 87 174.534 174.534 174.360 0.174 18987 3532 1 6 . 1 1 87 87 SER CA C 87 59.820 59.820 60.231 -0.411 18987 3533 1 6 . 1 1 87 87 SER CB C 87 64.340 64.340 64.008 0.332 18987 3534 1 6 . 1 1 87 87 SER H H 87 7.644 7.644 7.824 -0.180 18987 3535 1 6 . 1 1 88 88 ASP N N 88 120.295 120.295 119.950 0.345 18987 3536 1 6 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.764 -0.160 18987 3537 1 6 . 1 1 88 88 ASP C C 88 175.618 175.618 176.219 -0.601 18987 3538 1 6 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.961 0.049 18987 3539 1 6 . 1 1 88 88 ASP CB C 88 41.020 41.020 43.104 -2.084 18987 3540 1 6 . 1 1 88 88 ASP H H 88 7.104 7.104 7.551 -0.447 18987 3541 1 6 . 1 1 89 89 GLY N N 89 111.841 111.841 112.244 -0.403 18987 3542 1 6 . 1 1 89 89 GLY C C 89 176.171 176.171 174.807 1.364 18987 3543 1 6 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.601 1.079 18987 3544 1 6 . 1 1 89 89 GLY H H 89 9.325 9.325 8.717 0.608 18987 3545 1 6 . 1 1 90 90 MET N N 90 117.877 117.877 117.364 0.513 18987 3546 1 6 . 1 1 90 90 MET HA H 90 4.075 4.075 4.375 -0.300 18987 3547 1 6 . 1 1 90 90 MET C C 90 178.456 178.456 178.366 0.090 18987 3548 1 6 . 1 1 90 90 MET CA C 90 56.400 56.400 56.224 0.176 18987 3549 1 6 . 1 1 90 90 MET CB C 90 30.540 30.540 31.722 -1.182 18987 3550 1 6 . 1 1 90 90 MET H H 90 8.593 8.593 7.791 0.802 18987 3551 1 6 . 1 1 91 91 LEU N N 91 118.027 118.027 119.820 -1.793 18987 3552 1 6 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.205 0.074 18987 3553 1 6 . 1 1 91 91 LEU C C 91 176.298 176.298 176.652 -0.354 18987 3554 1 6 . 1 1 91 91 LEU CA C 91 55.460 55.460 56.787 -1.327 18987 3555 1 6 . 1 1 91 91 LEU CB C 91 43.130 43.130 42.040 1.090 18987 3556 1 6 . 1 1 91 91 LEU H H 91 8.224 8.224 7.541 0.683 18987 3557 1 6 . 1 1 92 92 VAL N N 92 120.960 120.960 116.654 4.306 18987 3558 1 6 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.162 -0.161 18987 3559 1 6 . 1 1 92 92 VAL C C 92 175.990 175.990 176.275 -0.285 18987 3560 1 6 . 1 1 92 92 VAL CA C 92 61.150 61.150 62.039 -0.889 18987 3561 1 6 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.560 -0.291 18987 3562 1 6 . 1 1 92 92 VAL H H 92 7.093 7.093 7.101 -0.008 18987 3563 1 6 . 1 1 93 93 LYS N N 93 130.687 130.687 125.560 5.127 18987 3564 1 6 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.190 -0.484 18987 3565 1 6 . 1 1 93 93 LYS C C 93 171.855 171.855 176.945 -5.090 18987 3566 1 6 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.437 1.483 18987 3567 1 6 . 1 1 93 93 LYS CB C 93 32.800 32.800 31.473 1.327 18987 3568 1 6 . 1 1 93 93 LYS H H 93 8.442 8.442 8.213 0.229 18987 3569 1 6 . 1 1 94 94 ARG N N 94 115.791 115.791 123.926 -8.135 18987 3570 1 6 . 1 1 94 94 ARG H H 94 7.676 7.676 8.354 -0.678 18987 3571 1 6 . 1 1 95 95 PRO C C 95 175.108 175.108 175.222 -0.114 18987 3572 1 6 . 1 1 96 96 LEU N N 96 128.494 128.494 125.673 2.821 18987 3573 1 6 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.544 -0.563 18987 3574 1 6 . 1 1 96 96 LEU C C 96 173.216 173.216 174.263 -1.047 18987 3575 1 6 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.377 1.493 18987 3576 1 6 . 1 1 96 96 LEU CB C 96 43.660 43.660 46.916 -3.256 18987 3577 1 6 . 1 1 96 96 LEU H H 96 8.246 8.246 8.328 -0.082 18987 3578 1 6 . 1 1 97 97 ALA N N 97 131.035 131.035 126.789 4.246 18987 3579 1 6 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.436 0.434 18987 3580 1 6 . 1 1 97 97 ALA C C 97 174.938 174.938 174.938 0.000 18987 3581 1 6 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.207 -1.357 18987 3582 1 6 . 1 1 97 97 ALA CB C 97 20.070 20.070 22.853 -2.783 18987 3583 1 6 . 1 1 97 97 ALA H H 97 8.839 8.839 9.038 -0.199 18987 3584 1 6 . 1 1 98 98 VAL N N 98 119.830 119.830 123.867 -4.037 18987 3585 1 6 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.452 0.104 18987 3586 1 6 . 1 1 98 98 VAL C C 98 173.896 173.896 173.491 0.405 18987 3587 1 6 . 1 1 98 98 VAL CA C 98 59.270 59.270 60.050 -0.780 18987 3588 1 6 . 1 1 98 98 VAL CB C 98 35.970 35.970 36.500 -0.530 18987 3589 1 6 . 1 1 98 98 VAL H H 98 8.824 8.824 8.662 0.162 18987 3590 1 6 . 1 1 99 99 MET N N 99 127.537 127.537 124.609 2.928 18987 3591 1 6 . 1 1 99 99 MET HA H 99 4.430 4.430 5.026 -0.596 18987 3592 1 6 . 1 1 99 99 MET CA C 99 56.710 56.710 53.998 2.712 18987 3593 1 6 . 1 1 99 99 MET CB C 99 31.050 31.050 36.325 -5.275 18987 3594 1 6 . 1 1 99 99 MET H H 99 8.873 8.873 9.086 -0.213 18987 3595 1 6 . 1 1 100 100 GLY C C 100 173.024 173.024 173.879 -0.855 18987 3596 1 6 . 1 1 100 100 GLY CA C 100 47.970 47.970 46.099 1.871 18987 3597 1 6 . 1 1 101 101 ASP N N 101 124.308 124.308 117.345 6.963 18987 3598 1 6 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.948 -0.749 18987 3599 1 6 . 1 1 101 101 ASP C C 101 175.172 175.172 176.207 -1.035 18987 3600 1 6 . 1 1 101 101 ASP CA C 101 53.310 53.310 54.384 -1.074 18987 3601 1 6 . 1 1 101 101 ASP CB C 101 40.170 40.170 42.630 -2.460 18987 3602 1 6 . 1 1 101 101 ASP H H 101 8.257 8.257 8.266 -0.009 18987 3603 1 6 . 1 1 102 102 LYS N N 102 121.002 121.002 119.867 1.135 18987 3604 1 6 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.521 -0.115 18987 3605 1 6 . 1 1 102 102 LYS C C 102 174.257 174.257 174.603 -0.346 18987 3606 1 6 . 1 1 102 102 LYS CA C 102 55.370 55.370 55.313 0.057 18987 3607 1 6 . 1 1 102 102 LYS CB C 102 36.230 36.230 33.729 2.501 18987 3608 1 6 . 1 1 102 102 LYS H H 102 8.108 8.108 8.068 0.040 18987 3609 1 6 . 1 1 103 103 ILE N N 103 118.488 118.488 120.597 -2.109 18987 3610 1 6 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.073 0.786 18987 3611 1 6 . 1 1 103 103 ILE C C 103 173.652 173.652 174.266 -0.614 18987 3612 1 6 . 1 1 103 103 ILE CA C 103 58.620 58.620 59.896 -1.276 18987 3613 1 6 . 1 1 103 103 ILE CB C 103 42.250 42.250 42.011 0.239 18987 3614 1 6 . 1 1 103 103 ILE H H 103 8.038 8.038 8.182 -0.144 18987 3615 1 6 . 1 1 104 104 THR N N 104 115.441 115.441 119.011 -3.570 18987 3616 1 6 . 1 1 104 104 THR HA H 104 4.524 4.524 4.772 -0.248 18987 3617 1 6 . 1 1 104 104 THR C C 104 173.503 173.503 172.762 0.741 18987 3618 1 6 . 1 1 104 104 THR CA C 104 60.660 60.660 60.753 -0.093 18987 3619 1 6 . 1 1 104 104 THR CB C 104 72.460 72.460 71.780 0.680 18987 3620 1 6 . 1 1 104 104 THR H H 104 9.360 9.360 9.309 0.051 18987 3621 1 6 . 1 1 105 105 LEU N N 105 123.352 123.352 127.044 -3.692 18987 3622 1 6 . 1 1 105 105 LEU HA H 105 5.023 5.023 4.935 0.088 18987 3623 1 6 . 1 1 105 105 LEU C C 105 178.860 178.860 177.251 1.609 18987 3624 1 6 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.169 -1.129 18987 3625 1 6 . 1 1 105 105 LEU CB C 105 44.290 44.290 44.205 0.085 18987 3626 1 6 . 1 1 105 105 LEU H H 105 8.857 8.857 8.737 0.120 18987 3627 1 6 . 1 1 106 106 GLY N N 106 108.363 108.363 111.499 -3.136 18987 3628 1 6 . 1 1 106 106 GLY C C 106 172.100 172.100 173.917 -1.817 18987 3629 1 6 . 1 1 106 106 GLY CA C 106 44.870 44.870 44.688 0.182 18987 3630 1 6 . 1 1 106 106 GLY H H 106 8.241 8.241 8.321 -0.080 18987 3631 1 6 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.674 0.014 18987 3632 1 6 . 1 1 107 107 PHE CA C 107 58.000 58.000 58.105 -0.105 18987 3633 1 6 . 1 1 107 107 PHE CB C 107 41.620 41.620 38.706 2.914 18987 3634 1 6 . 1 1 108 108 LYS N N 108 129.677 129.677 128.178 1.499 18987 3635 1 6 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.189 -0.287 18987 3636 1 6 . 1 1 108 108 LYS CA C 108 54.650 54.650 54.717 -0.067 18987 3637 1 6 . 1 1 108 108 LYS CB C 108 34.130 34.130 33.471 0.659 18987 3638 1 6 . 1 1 108 108 LYS H H 108 7.351 7.351 7.228 0.123 18987 3639 1 6 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.657 -0.697 18987 3640 1 6 . 1 1 109 109 GLU C C 109 177.255 177.255 177.622 -0.367 18987 3641 1 6 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.699 1.141 18987 3642 1 6 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.375 -0.075 18987 3643 1 6 . 1 1 110 110 ASP N N 110 115.831 115.831 118.842 -3.011 18987 3644 1 6 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.348 -0.191 18987 3645 1 6 . 1 1 110 110 ASP C C 110 178.456 178.456 178.471 -0.015 18987 3646 1 6 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.434 -0.525 18987 3647 1 6 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.396 -1.186 18987 3648 1 6 . 1 1 110 110 ASP H H 110 8.654 8.654 8.184 0.470 18987 3649 1 6 . 1 1 111 111 GLN N N 111 119.458 119.458 117.250 2.208 18987 3650 1 6 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.976 0.105 18987 3651 1 6 . 1 1 111 111 GLN C C 111 179.189 179.189 178.601 0.588 18987 3652 1 6 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.517 -0.377 18987 3653 1 6 . 1 1 111 111 GLN CB C 111 28.850 28.850 28.066 0.784 18987 3654 1 6 . 1 1 111 111 GLN H H 111 6.993 6.993 8.371 -1.378 18987 3655 1 6 . 1 1 112 112 TYR N N 112 124.973 124.973 119.620 5.353 18987 3656 1 6 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.389 -0.462 18987 3657 1 6 . 1 1 112 112 TYR C C 112 178.254 178.254 177.791 0.463 18987 3658 1 6 . 1 1 112 112 TYR CA C 112 62.690 62.690 60.137 2.553 18987 3659 1 6 . 1 1 112 112 TYR CB C 112 36.660 36.660 37.895 -1.235 18987 3660 1 6 . 1 1 112 112 TYR H H 112 8.289 8.289 7.889 0.400 18987 3661 1 6 . 1 1 113 113 LYS N N 113 118.329 118.329 118.776 -0.447 18987 3662 1 6 . 1 1 113 113 LYS HA H 113 3.913 3.913 3.970 -0.057 18987 3663 1 6 . 1 1 113 113 LYS C C 113 178.296 178.296 179.126 -0.830 18987 3664 1 6 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.646 1.434 18987 3665 1 6 . 1 1 113 113 LYS CB C 113 32.810 32.810 31.688 1.122 18987 3666 1 6 . 1 1 113 113 LYS H H 113 8.310 8.310 8.204 0.106 18987 3667 1 6 . 1 1 114 114 GLU N N 114 115.605 115.605 120.203 -4.598 18987 3668 1 6 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.300 -0.404 18987 3669 1 6 . 1 1 114 114 GLU C C 114 177.308 177.308 178.208 -0.900 18987 3670 1 6 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.724 -0.414 18987 3671 1 6 . 1 1 114 114 GLU CB C 114 30.140 30.140 29.592 0.548 18987 3672 1 6 . 1 1 114 114 GLU H H 114 7.603 7.603 7.988 -0.385 18987 3673 1 6 . 1 1 115 115 THR N N 115 112.256 112.256 113.547 -1.291 18987 3674 1 6 . 1 1 115 115 THR HA H 115 3.666 3.666 4.027 -0.361 18987 3675 1 6 . 1 1 115 115 THR C C 115 174.672 174.672 175.660 -0.988 18987 3676 1 6 . 1 1 115 115 THR CA C 115 65.710 65.710 64.831 0.879 18987 3677 1 6 . 1 1 115 115 THR CB C 115 68.700 68.700 69.188 -0.488 18987 3678 1 6 . 1 1 115 115 THR H H 115 7.591 7.591 7.852 -0.261 18987 3679 1 6 . 1 1 116 116 TRP N N 116 116.495 116.495 119.920 -3.425 18987 3680 1 6 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.544 0.759 18987 3681 1 6 . 1 1 116 116 TRP C C 116 176.553 176.553 177.704 -1.151 18987 3682 1 6 . 1 1 116 116 TRP CA C 116 55.620 55.620 59.047 -3.427 18987 3683 1 6 . 1 1 116 116 TRP CB C 116 31.430 31.430 29.714 1.716 18987 3684 1 6 . 1 1 116 116 TRP H H 116 7.661 7.661 7.375 0.286 18987 3685 1 6 . 1 1 117 117 LEU N N 117 116.588 116.588 116.771 -0.183 18987 3686 1 6 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.146 0.456 18987 3687 1 6 . 1 1 117 117 LEU C C 117 175.788 175.788 177.858 -2.070 18987 3688 1 6 . 1 1 117 117 LEU CA C 117 53.860 53.860 55.862 -2.002 18987 3689 1 6 . 1 1 117 117 LEU CB C 117 40.880 40.880 41.927 -1.047 18987 3690 1 6 . 1 1 117 117 LEU H H 117 6.922 6.922 7.843 -0.921 18987 3691 1 7 . 1 1 2 2 ILE N N 2 124.348 124.348 122.079 2.269 18987 3692 1 7 . 1 1 2 2 ILE HA H 2 3.576 3.576 4.030 -0.454 18987 3693 1 7 . 1 1 2 2 ILE C C 2 175.884 175.884 175.938 -0.054 18987 3694 1 7 . 1 1 2 2 ILE CA C 2 62.790 62.790 61.582 1.208 18987 3695 1 7 . 1 1 2 2 ILE CB C 2 40.400 40.400 37.853 2.547 18987 3696 1 7 . 1 1 2 2 ILE H H 2 7.539 7.539 8.370 -0.831 18987 3697 1 7 . 1 1 3 3 LYS N N 3 128.600 128.600 127.463 1.137 18987 3698 1 7 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.257 0.078 18987 3699 1 7 . 1 1 3 3 LYS C C 3 173.322 173.322 175.821 -2.499 18987 3700 1 7 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.279 2.351 18987 3701 1 7 . 1 1 3 3 LYS CB C 3 32.800 32.800 30.685 2.115 18987 3702 1 7 . 1 1 3 3 LYS H H 3 8.524 8.524 8.709 -0.185 18987 3703 1 7 . 1 1 4 4 PHE N N 4 128.560 128.560 127.968 0.592 18987 3704 1 7 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.743 0.092 18987 3705 1 7 . 1 1 4 4 PHE C C 4 172.546 172.546 173.850 -1.304 18987 3706 1 7 . 1 1 4 4 PHE CA C 4 56.570 56.570 55.849 0.721 18987 3707 1 7 . 1 1 4 4 PHE CB C 4 42.600 42.600 38.883 3.717 18987 3708 1 7 . 1 1 4 4 PHE H H 4 8.412 8.412 8.151 0.261 18987 3709 1 7 . 1 1 5 5 TYR N N 5 125.785 125.785 127.542 -1.757 18987 3710 1 7 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.132 -0.006 18987 3711 1 7 . 1 1 5 5 TYR C C 5 175.852 175.852 175.064 0.788 18987 3712 1 7 . 1 1 5 5 TYR CA C 5 57.980 57.980 57.992 -0.012 18987 3713 1 7 . 1 1 5 5 TYR CB C 5 38.550 38.550 39.249 -0.699 18987 3714 1 7 . 1 1 5 5 TYR H H 5 9.313 9.313 8.558 0.755 18987 3715 1 7 . 1 1 6 6 GLN N N 6 117.436 117.436 119.625 -2.189 18987 3716 1 7 . 1 1 6 6 GLN HA H 6 4.622 4.622 4.964 -0.342 18987 3717 1 7 . 1 1 6 6 GLN C C 6 171.951 171.951 173.627 -1.676 18987 3718 1 7 . 1 1 6 6 GLN CA C 6 53.430 53.430 54.529 -1.099 18987 3719 1 7 . 1 1 6 6 GLN CB C 6 30.490 30.490 32.283 -1.794 18987 3720 1 7 . 1 1 6 6 GLN H H 6 9.110 9.110 8.909 0.201 18987 3721 1 7 . 1 1 7 7 TYR N N 7 116.309 116.309 120.945 -4.636 18987 3722 1 7 . 1 1 7 7 TYR HA H 7 4.953 4.953 4.671 0.282 18987 3723 1 7 . 1 1 7 7 TYR CA C 7 56.130 56.130 58.811 -2.681 18987 3724 1 7 . 1 1 7 7 TYR CB C 7 42.860 42.860 40.273 2.587 18987 3725 1 7 . 1 1 7 7 TYR H H 7 7.075 7.075 8.576 -1.501 18987 3726 1 7 . 1 1 12 12 THR HA H 12 3.868 3.868 3.693 0.175 18987 3727 1 7 . 1 1 12 12 THR C C 12 176.203 176.203 176.358 -0.155 18987 3728 1 7 . 1 1 12 12 THR CA C 12 65.930 65.930 66.910 -0.980 18987 3729 1 7 . 1 1 12 12 THR CB C 12 68.630 68.630 68.623 0.007 18987 3730 1 7 . 1 1 13 13 CYS N N 13 116.721 116.721 118.200 -1.479 18987 3731 1 7 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.363 -0.132 18987 3732 1 7 . 1 1 13 13 CYS C C 13 174.938 174.938 176.581 -1.643 18987 3733 1 7 . 1 1 13 13 CYS CA C 13 63.790 63.790 62.132 1.658 18987 3734 1 7 . 1 1 13 13 CYS CB C 13 33.590 33.590 27.341 6.249 18987 3735 1 7 . 1 1 13 13 CYS H H 13 8.441 8.441 8.558 -0.117 18987 3736 1 7 . 1 1 14 14 LYS N N 14 119.429 119.429 121.051 -1.622 18987 3737 1 7 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.093 -0.056 18987 3738 1 7 . 1 1 14 14 LYS C C 14 179.370 179.370 179.227 0.143 18987 3739 1 7 . 1 1 14 14 LYS CA C 14 59.150 59.150 58.889 0.262 18987 3740 1 7 . 1 1 14 14 LYS CB C 14 32.270 32.270 31.802 0.468 18987 3741 1 7 . 1 1 14 14 LYS H H 14 7.805 7.805 8.391 -0.586 18987 3742 1 7 . 1 1 15 15 LYS N N 15 119.379 119.379 119.370 0.009 18987 3743 1 7 . 1 1 15 15 LYS HA H 15 3.677 3.677 4.129 -0.452 18987 3744 1 7 . 1 1 15 15 LYS C C 15 177.999 177.999 179.016 -1.017 18987 3745 1 7 . 1 1 15 15 LYS CA C 15 59.270 59.270 59.060 0.210 18987 3746 1 7 . 1 1 15 15 LYS CB C 15 32.630 32.630 32.287 0.343 18987 3747 1 7 . 1 1 15 15 LYS H H 15 7.612 7.612 7.962 -0.350 18987 3748 1 7 . 1 1 16 16 ALA N N 16 122.940 122.940 121.889 1.051 18987 3749 1 7 . 1 1 16 16 ALA HA H 16 2.906 2.906 4.370 -1.464 18987 3750 1 7 . 1 1 16 16 ALA C C 16 177.999 177.999 179.225 -1.226 18987 3751 1 7 . 1 1 16 16 ALA CA C 16 54.370 54.370 55.072 -0.702 18987 3752 1 7 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.310 0.960 18987 3753 1 7 . 1 1 16 16 ALA H H 16 7.346 7.346 7.741 -0.395 18987 3754 1 7 . 1 1 17 17 ALA N N 17 120.093 120.093 120.161 -0.068 18987 3755 1 7 . 1 1 17 17 ALA HA H 17 2.965 2.965 2.983 -0.018 18987 3756 1 7 . 1 1 17 17 ALA C C 17 178.466 178.466 179.196 -0.730 18987 3757 1 7 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.411 0.459 18987 3758 1 7 . 1 1 17 17 ALA CB C 17 17.270 17.270 18.117 -0.847 18987 3759 1 7 . 1 1 17 17 ALA H H 17 7.959 7.959 8.010 -0.051 18987 3760 1 7 . 1 1 18 18 LYS N N 18 115.894 115.894 119.857 -3.963 18987 3761 1 7 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.066 -0.101 18987 3762 1 7 . 1 1 18 18 LYS C C 18 178.647 178.647 178.484 0.163 18987 3763 1 7 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.728 0.182 18987 3764 1 7 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.133 0.048 18987 3765 1 7 . 1 1 18 18 LYS H H 18 7.565 7.565 7.831 -0.266 18987 3766 1 7 . 1 1 19 19 PHE N N 19 120.854 120.854 120.052 0.802 18987 3767 1 7 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.373 -0.134 18987 3768 1 7 . 1 1 19 19 PHE C C 19 176.925 176.925 177.266 -0.341 18987 3769 1 7 . 1 1 19 19 PHE CA C 19 61.730 61.730 61.106 0.624 18987 3770 1 7 . 1 1 19 19 PHE CB C 19 39.140 39.140 39.306 -0.166 18987 3771 1 7 . 1 1 19 19 PHE H H 19 7.496 7.496 7.834 -0.338 18987 3772 1 7 . 1 1 20 20 LEU N N 20 118.913 118.913 119.367 -0.454 18987 3773 1 7 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.551 0.347 18987 3774 1 7 . 1 1 20 20 LEU C C 20 179.657 179.657 178.452 1.205 18987 3775 1 7 . 1 1 20 20 LEU CA C 20 58.330 58.330 57.928 0.402 18987 3776 1 7 . 1 1 20 20 LEU CB C 20 40.460 40.460 40.939 -0.479 18987 3777 1 7 . 1 1 20 20 LEU H H 20 8.012 8.012 7.807 0.205 18987 3778 1 7 . 1 1 21 21 ASP N N 21 118.448 118.448 118.425 0.023 18987 3779 1 7 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.411 0.045 18987 3780 1 7 . 1 1 21 21 ASP C C 21 180.358 180.358 178.490 1.868 18987 3781 1 7 . 1 1 21 21 ASP CA C 21 57.680 57.680 57.148 0.532 18987 3782 1 7 . 1 1 21 21 ASP CB C 21 40.520 40.520 40.996 -0.476 18987 3783 1 7 . 1 1 21 21 ASP H H 21 8.814 8.814 8.130 0.684 18987 3784 1 7 . 1 1 22 22 GLU N N 22 122.661 122.661 119.240 3.421 18987 3785 1 7 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.063 -0.321 18987 3786 1 7 . 1 1 22 22 GLU C C 22 178.371 178.371 178.282 0.089 18987 3787 1 7 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.683 0.557 18987 3788 1 7 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.558 -0.778 18987 3789 1 7 . 1 1 22 22 GLU H H 22 8.544 8.544 7.667 0.877 18987 3790 1 7 . 1 1 23 23 TYR N N 23 114.768 114.768 115.897 -1.129 18987 3791 1 7 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.437 -0.187 18987 3792 1 7 . 1 1 23 23 TYR C C 23 175.724 175.724 175.370 0.354 18987 3793 1 7 . 1 1 23 23 TYR CA C 23 59.070 59.070 58.377 0.693 18987 3794 1 7 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.428 0.592 18987 3795 1 7 . 1 1 23 23 TYR H H 23 7.522 7.522 7.643 -0.121 18987 3796 1 7 . 1 1 24 24 GLY N N 24 110.449 110.449 108.588 1.861 18987 3797 1 7 . 1 1 24 24 GLY C C 24 174.534 174.534 174.623 -0.089 18987 3798 1 7 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.494 1.626 18987 3799 1 7 . 1 1 24 24 GLY H H 24 7.792 7.792 7.416 0.376 18987 3800 1 7 . 1 1 25 25 VAL N N 25 122.714 122.714 119.711 3.003 18987 3801 1 7 . 1 1 25 25 VAL HA H 25 3.959 3.959 4.238 -0.279 18987 3802 1 7 . 1 1 25 25 VAL C C 25 176.266 176.266 175.885 0.381 18987 3803 1 7 . 1 1 25 25 VAL CA C 25 62.000 62.000 60.728 1.272 18987 3804 1 7 . 1 1 25 25 VAL CB C 25 32.480 32.480 32.770 -0.290 18987 3805 1 7 . 1 1 25 25 VAL H H 25 8.393 8.393 8.196 0.197 18987 3806 1 7 . 1 1 26 26 SER N N 26 123.498 123.498 123.927 -0.429 18987 3807 1 7 . 1 1 26 26 SER HA H 26 4.351 4.351 4.471 -0.120 18987 3808 1 7 . 1 1 26 26 SER C C 26 173.513 173.513 173.229 0.284 18987 3809 1 7 . 1 1 26 26 SER CA C 26 59.040 59.040 58.442 0.598 18987 3810 1 7 . 1 1 26 26 SER CB C 26 63.530 63.530 62.815 0.715 18987 3811 1 7 . 1 1 26 26 SER H H 26 8.559 8.559 8.666 -0.107 18987 3812 1 7 . 1 1 27 27 TYR N N 27 119.756 119.756 121.694 -1.938 18987 3813 1 7 . 1 1 27 27 TYR HA H 27 4.983 4.983 5.245 -0.262 18987 3814 1 7 . 1 1 27 27 TYR C C 27 172.355 172.355 174.330 -1.975 18987 3815 1 7 . 1 1 27 27 TYR CA C 27 55.750 55.750 55.039 0.711 18987 3816 1 7 . 1 1 27 27 TYR CB C 27 40.730 40.730 41.473 -0.743 18987 3817 1 7 . 1 1 27 27 TYR H H 27 7.838 7.838 7.972 -0.134 18987 3818 1 7 . 1 1 28 28 GLU N N 28 123.126 123.126 120.235 2.891 18987 3819 1 7 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.708 0.020 18987 3820 1 7 . 1 1 28 28 GLU CA C 28 51.420 51.420 52.153 -0.733 18987 3821 1 7 . 1 1 28 28 GLU CB C 28 31.790 31.790 31.708 0.082 18987 3822 1 7 . 1 1 28 28 GLU H H 28 9.006 9.006 8.701 0.305 18987 3823 1 7 . 1 1 29 29 PRO HA H 29 5.619 5.619 4.956 0.663 18987 3824 1 7 . 1 1 29 29 PRO C C 29 177.276 177.276 176.122 1.154 18987 3825 1 7 . 1 1 29 29 PRO CA C 29 61.820 61.820 62.948 -1.128 18987 3826 1 7 . 1 1 29 29 PRO CB C 29 31.890 31.890 31.047 0.844 18987 3827 1 7 . 1 1 30 30 ILE N N 30 127.043 127.043 118.789 8.254 18987 3828 1 7 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.366 -0.262 18987 3829 1 7 . 1 1 30 30 ILE C C 30 174.948 174.948 174.155 0.793 18987 3830 1 7 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.433 1.927 18987 3831 1 7 . 1 1 30 30 ILE CB C 30 42.210 42.210 40.560 1.650 18987 3832 1 7 . 1 1 30 30 ILE H H 30 9.148 9.148 8.223 0.925 18987 3833 1 7 . 1 1 31 31 ASP N N 31 128.946 128.946 123.229 5.717 18987 3834 1 7 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.451 -0.559 18987 3835 1 7 . 1 1 31 31 ASP C C 31 176.373 176.373 177.616 -1.243 18987 3836 1 7 . 1 1 31 31 ASP CA C 31 54.600 54.600 55.760 -1.160 18987 3837 1 7 . 1 1 31 31 ASP CB C 31 42.920 42.920 41.998 0.921 18987 3838 1 7 . 1 1 31 31 ASP H H 31 9.092 9.092 8.650 0.442 18987 3839 1 7 . 1 1 32 32 ILE N N 32 127.576 127.576 126.715 0.861 18987 3840 1 7 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.131 -0.039 18987 3841 1 7 . 1 1 32 32 ILE C C 32 174.013 174.013 176.488 -2.475 18987 3842 1 7 . 1 1 32 32 ILE CA C 32 62.520 62.520 63.525 -1.005 18987 3843 1 7 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.743 2.007 18987 3844 1 7 . 1 1 32 32 ILE H H 32 9.362 9.362 8.499 0.863 18987 3845 1 7 . 1 1 33 33 VAL N N 33 123.498 123.498 117.404 6.094 18987 3846 1 7 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.924 -0.281 18987 3847 1 7 . 1 1 33 33 VAL C C 33 176.819 176.819 177.359 -0.540 18987 3848 1 7 . 1 1 33 33 VAL CA C 33 65.050 65.050 63.533 1.517 18987 3849 1 7 . 1 1 33 33 VAL CB C 33 31.970 31.970 31.223 0.747 18987 3850 1 7 . 1 1 33 33 VAL H H 33 8.445 8.445 7.892 0.553 18987 3851 1 7 . 1 1 34 34 GLN N N 34 119.897 119.897 118.558 1.339 18987 3852 1 7 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.044 -0.091 18987 3853 1 7 . 1 1 34 34 GLN C C 34 176.734 176.734 176.298 0.436 18987 3854 1 7 . 1 1 34 34 GLN CA C 34 57.540 57.540 57.965 -0.424 18987 3855 1 7 . 1 1 34 34 GLN CB C 34 29.860 29.860 28.991 0.869 18987 3856 1 7 . 1 1 34 34 GLN H H 34 8.650 8.650 8.277 0.373 18987 3857 1 7 . 1 1 35 35 HIS N N 35 118.090 118.090 118.772 -0.682 18987 3858 1 7 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.883 0.081 18987 3859 1 7 . 1 1 35 35 HIS C C 35 173.758 173.758 173.860 -0.102 18987 3860 1 7 . 1 1 35 35 HIS CA C 35 53.660 53.660 54.153 -0.493 18987 3861 1 7 . 1 1 35 35 HIS CB C 35 29.190 29.190 29.683 -0.493 18987 3862 1 7 . 1 1 35 35 HIS H H 35 8.178 8.178 7.785 0.393 18987 3863 1 7 . 1 1 36 36 THR N N 36 118.794 118.794 118.707 0.087 18987 3864 1 7 . 1 1 36 36 THR HA H 36 4.142 4.142 4.733 -0.591 18987 3865 1 7 . 1 1 36 36 THR CA C 36 62.080 62.080 60.927 1.153 18987 3866 1 7 . 1 1 36 36 THR CB C 36 70.180 70.180 69.389 0.791 18987 3867 1 7 . 1 1 36 36 THR H H 36 7.468 7.468 7.918 -0.450 18987 3868 1 7 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.411 -0.136 18987 3869 1 7 . 1 1 37 37 PRO C C 37 174.970 174.970 176.633 -1.663 18987 3870 1 7 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.535 0.436 18987 3871 1 7 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.664 -2.234 18987 3872 1 7 . 1 1 38 38 THR N N 38 111.512 111.512 113.277 -1.765 18987 3873 1 7 . 1 1 38 38 THR HA H 38 4.298 4.298 4.497 -0.199 18987 3874 1 7 . 1 1 38 38 THR C C 38 175.756 175.756 176.690 -0.934 18987 3875 1 7 . 1 1 38 38 THR CA C 38 60.700 60.700 60.291 0.409 18987 3876 1 7 . 1 1 38 38 THR CB C 38 71.560 71.560 70.274 1.286 18987 3877 1 7 . 1 1 38 38 THR H H 38 8.220 8.220 8.221 -0.001 18987 3878 1 7 . 1 1 39 39 ILE N N 39 119.950 119.950 120.454 -0.504 18987 3879 1 7 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.858 -0.181 18987 3880 1 7 . 1 1 39 39 ILE C C 39 177.871 177.871 177.923 -0.052 18987 3881 1 7 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.205 1.895 18987 3882 1 7 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.588 0.552 18987 3883 1 7 . 1 1 39 39 ILE H H 39 8.763 8.763 8.652 0.111 18987 3884 1 7 . 1 1 40 40 ASN N N 40 116.189 116.189 117.898 -1.709 18987 3885 1 7 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.445 -0.096 18987 3886 1 7 . 1 1 40 40 ASN C C 40 178.445 178.445 177.763 0.682 18987 3887 1 7 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.567 -0.237 18987 3888 1 7 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.635 0.305 18987 3889 1 7 . 1 1 40 40 ASN H H 40 8.180 8.180 8.488 -0.308 18987 3890 1 7 . 1 1 41 41 GLU N N 41 121.970 121.970 120.751 1.219 18987 3891 1 7 . 1 1 41 41 GLU HA H 41 3.915 3.915 3.993 -0.078 18987 3892 1 7 . 1 1 41 41 GLU C C 41 180.093 180.093 179.171 0.922 18987 3893 1 7 . 1 1 41 41 GLU CA C 41 59.590 59.590 59.224 0.366 18987 3894 1 7 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.497 0.253 18987 3895 1 7 . 1 1 41 41 GLU H H 41 7.782 7.782 7.580 0.202 18987 3896 1 7 . 1 1 42 42 PHE N N 42 118.929 118.929 119.085 -0.156 18987 3897 1 7 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.123 0.047 18987 3898 1 7 . 1 1 42 42 PHE C C 42 178.488 178.488 177.372 1.116 18987 3899 1 7 . 1 1 42 42 PHE CA C 42 63.020 63.020 61.912 1.108 18987 3900 1 7 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.937 0.293 18987 3901 1 7 . 1 1 42 42 PHE H H 42 8.776 8.776 8.419 0.357 18987 3902 1 7 . 1 1 43 43 LYS N N 43 118.820 118.820 117.972 0.848 18987 3903 1 7 . 1 1 43 43 LYS HA H 43 3.795 3.795 3.959 -0.164 18987 3904 1 7 . 1 1 43 43 LYS C C 43 179.816 179.816 178.938 0.878 18987 3905 1 7 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.735 1.415 18987 3906 1 7 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.899 0.341 18987 3907 1 7 . 1 1 43 43 LYS H H 43 8.775 8.775 8.055 0.720 18987 3908 1 7 . 1 1 44 44 THR N N 44 118.754 118.754 117.556 1.198 18987 3909 1 7 . 1 1 44 44 THR HA H 44 3.894 3.894 4.120 -0.226 18987 3910 1 7 . 1 1 44 44 THR C C 44 175.214 175.214 176.487 -1.273 18987 3911 1 7 . 1 1 44 44 THR CA C 44 66.900 66.900 66.652 0.248 18987 3912 1 7 . 1 1 44 44 THR CB C 44 68.920 68.920 68.886 0.034 18987 3913 1 7 . 1 1 44 44 THR H H 44 7.959 7.959 8.146 -0.187 18987 3914 1 7 . 1 1 45 45 ILE N N 45 122.671 122.671 119.451 3.220 18987 3915 1 7 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.899 -0.092 18987 3916 1 7 . 1 1 45 45 ILE C C 45 180.273 180.273 178.016 2.257 18987 3917 1 7 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.825 1.225 18987 3918 1 7 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.386 1.364 18987 3919 1 7 . 1 1 45 45 ILE H H 45 8.100 8.100 7.757 0.343 18987 3920 1 7 . 1 1 46 46 ILE N N 46 123.392 123.392 121.493 1.899 18987 3921 1 7 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.885 -0.360 18987 3922 1 7 . 1 1 46 46 ILE C C 46 178.509 178.509 178.480 0.029 18987 3923 1 7 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.984 0.826 18987 3924 1 7 . 1 1 46 46 ILE CB C 46 38.110 38.110 37.895 0.215 18987 3925 1 7 . 1 1 46 46 ILE H H 46 8.778 8.778 8.092 0.686 18987 3926 1 7 . 1 1 47 47 ALA N N 47 123.336 123.336 121.709 1.627 18987 3927 1 7 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.113 -0.065 18987 3928 1 7 . 1 1 47 47 ALA C C 47 180.114 180.114 178.917 1.197 18987 3929 1 7 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.799 0.101 18987 3930 1 7 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.260 0.070 18987 3931 1 7 . 1 1 47 47 ALA H H 47 8.232 8.232 7.876 0.356 18987 3932 1 7 . 1 1 48 48 ASN N N 48 114.090 114.090 115.432 -1.342 18987 3933 1 7 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.717 -0.227 18987 3934 1 7 . 1 1 48 48 ASN C C 48 177.776 177.776 177.203 0.573 18987 3935 1 7 . 1 1 48 48 ASN CA C 48 55.070 55.070 55.453 -0.383 18987 3936 1 7 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.480 -0.810 18987 3937 1 7 . 1 1 48 48 ASN H H 48 8.464 8.464 8.131 0.333 18987 3938 1 7 . 1 1 49 49 THR N N 49 106.742 106.742 109.242 -2.500 18987 3939 1 7 . 1 1 49 49 THR HA H 49 4.471 4.471 4.471 -0.000 18987 3940 1 7 . 1 1 49 49 THR C C 49 176.968 176.968 175.987 0.981 18987 3941 1 7 . 1 1 49 49 THR CA C 49 62.550 62.550 63.078 -0.528 18987 3942 1 7 . 1 1 49 49 THR CB C 49 72.150 72.150 70.916 1.234 18987 3943 1 7 . 1 1 49 49 THR H H 49 8.035 8.035 7.933 0.102 18987 3944 1 7 . 1 1 50 50 GLY N N 50 112.246 112.246 110.984 1.262 18987 3945 1 7 . 1 1 50 50 GLY C C 50 174.055 174.055 174.393 -0.338 18987 3946 1 7 . 1 1 50 50 GLY CA C 50 45.940 45.940 44.926 1.014 18987 3947 1 7 . 1 1 50 50 GLY H H 50 8.323 8.323 7.913 0.410 18987 3948 1 7 . 1 1 51 51 VAL N N 51 121.212 121.212 119.654 1.558 18987 3949 1 7 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.170 -0.295 18987 3950 1 7 . 1 1 51 51 VAL C C 51 173.120 173.120 175.731 -2.611 18987 3951 1 7 . 1 1 51 51 VAL CA C 51 61.380 61.380 61.403 -0.023 18987 3952 1 7 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.376 -1.486 18987 3953 1 7 . 1 1 51 51 VAL H H 51 7.429 7.429 7.506 -0.077 18987 3954 1 7 . 1 1 52 52 GLU N N 52 126.158 126.158 126.208 -0.050 18987 3955 1 7 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.311 -0.202 18987 3956 1 7 . 1 1 52 52 GLU C C 52 178.190 178.190 176.819 1.371 18987 3957 1 7 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.789 -0.549 18987 3958 1 7 . 1 1 52 52 GLU CB C 52 30.190 30.190 30.002 0.188 18987 3959 1 7 . 1 1 52 52 GLU H H 52 7.881 7.881 8.505 -0.624 18987 3960 1 7 . 1 1 53 53 ILE N N 53 125.807 125.807 124.916 0.891 18987 3961 1 7 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.950 -0.526 18987 3962 1 7 . 1 1 53 53 ILE C C 53 177.425 177.425 176.437 0.988 18987 3963 1 7 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.194 2.586 18987 3964 1 7 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.105 -0.145 18987 3965 1 7 . 1 1 53 53 ILE H H 53 8.430 8.430 8.699 -0.269 18987 3966 1 7 . 1 1 54 54 ASN N N 54 116.588 116.588 118.497 -1.909 18987 3967 1 7 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.782 -0.326 18987 3968 1 7 . 1 1 54 54 ASN C C 54 178.807 178.807 176.960 1.847 18987 3969 1 7 . 1 1 54 54 ASN CA C 54 55.770 55.770 55.550 0.220 18987 3970 1 7 . 1 1 54 54 ASN CB C 54 37.140 37.140 36.989 0.151 18987 3971 1 7 . 1 1 54 54 ASN H H 54 8.585 8.585 8.609 -0.024 18987 3972 1 7 . 1 1 55 55 LYS N N 55 117.013 117.013 118.227 -1.214 18987 3973 1 7 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.171 -0.069 18987 3974 1 7 . 1 1 55 55 LYS C C 55 176.819 176.819 177.183 -0.364 18987 3975 1 7 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.317 -0.757 18987 3976 1 7 . 1 1 55 55 LYS CB C 55 32.180 32.180 31.673 0.507 18987 3977 1 7 . 1 1 55 55 LYS H H 55 7.661 7.661 8.212 -0.551 18987 3978 1 7 . 1 1 56 56 LEU N N 56 114.768 114.768 118.319 -3.551 18987 3979 1 7 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.259 -0.332 18987 3980 1 7 . 1 1 56 56 LEU C C 56 176.702 176.702 176.597 0.105 18987 3981 1 7 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.341 0.579 18987 3982 1 7 . 1 1 56 56 LEU CB C 56 42.020 42.020 41.890 0.130 18987 3983 1 7 . 1 1 56 56 LEU H H 56 7.690 7.690 7.219 0.471 18987 3984 1 7 . 1 1 57 57 PHE N N 57 114.558 114.558 117.564 -3.006 18987 3985 1 7 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.646 -0.198 18987 3986 1 7 . 1 1 57 57 PHE C C 57 176.319 176.319 176.076 0.243 18987 3987 1 7 . 1 1 57 57 PHE CA C 57 58.470 58.470 58.319 0.151 18987 3988 1 7 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.323 1.377 18987 3989 1 7 . 1 1 57 57 PHE H H 57 7.032 7.032 7.573 -0.541 18987 3990 1 7 . 1 1 58 58 ASN N N 58 118.674 118.674 123.384 -4.710 18987 3991 1 7 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.407 0.079 18987 3992 1 7 . 1 1 58 58 ASN CA C 58 51.540 51.540 54.150 -2.610 18987 3993 1 7 . 1 1 58 58 ASN CB C 58 36.910 36.910 39.131 -2.221 18987 3994 1 7 . 1 1 58 58 ASN H H 58 8.659 8.659 8.301 0.358 18987 3995 1 7 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.275 0.287 18987 3996 1 7 . 1 1 60 60 HIS C C 60 176.309 176.309 176.314 -0.005 18987 3997 1 7 . 1 1 60 60 HIS CA C 60 55.920 55.920 56.841 -0.921 18987 3998 1 7 . 1 1 60 60 HIS CB C 60 30.890 30.890 29.804 1.086 18987 3999 1 7 . 1 1 61 61 GLY N N 61 106.925 106.925 107.034 -0.109 18987 4000 1 7 . 1 1 61 61 GLY CA C 61 45.180 45.180 44.868 0.312 18987 4001 1 7 . 1 1 61 61 GLY H H 61 7.284 7.284 8.710 -1.426 18987 4002 1 7 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.180 -0.132 18987 4003 1 7 . 1 1 63 63 LYS C C 63 177.435 177.435 178.568 -1.133 18987 4004 1 7 . 1 1 63 63 LYS CA C 63 58.300 58.300 58.671 -0.371 18987 4005 1 7 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.784 -1.624 18987 4006 1 7 . 1 1 64 64 TYR N N 64 119.737 119.737 120.231 -0.494 18987 4007 1 7 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.011 -0.355 18987 4008 1 7 . 1 1 64 64 TYR C C 64 178.339 178.339 176.608 1.731 18987 4009 1 7 . 1 1 64 64 TYR CA C 64 61.610 61.610 62.207 -0.597 18987 4010 1 7 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.599 0.301 18987 4011 1 7 . 1 1 64 64 TYR H H 64 7.644 7.644 8.020 -0.376 18987 4012 1 7 . 1 1 65 65 ARG N N 65 118.236 118.236 116.006 2.230 18987 4013 1 7 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.182 0.028 18987 4014 1 7 . 1 1 65 65 ARG C C 65 179.816 179.816 177.725 2.091 18987 4015 1 7 . 1 1 65 65 ARG CA C 65 59.090 59.090 57.675 1.415 18987 4016 1 7 . 1 1 65 65 ARG CB C 65 30.160 30.160 29.885 0.275 18987 4017 1 7 . 1 1 65 65 ARG H H 65 7.358 7.358 7.926 -0.568 18987 4018 1 7 . 1 1 66 66 GLU N N 66 123.063 123.063 120.963 2.100 18987 4019 1 7 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.131 -0.214 18987 4020 1 7 . 1 1 66 66 GLU C C 66 178.626 178.626 178.066 0.560 18987 4021 1 7 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.780 0.670 18987 4022 1 7 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.646 0.044 18987 4023 1 7 . 1 1 66 66 GLU H H 66 8.789 8.789 7.915 0.874 18987 4024 1 7 . 1 1 67 67 LEU N N 67 115.817 115.817 117.113 -1.296 18987 4025 1 7 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.220 -0.090 18987 4026 1 7 . 1 1 67 67 LEU C C 67 176.171 176.171 176.820 -0.649 18987 4027 1 7 . 1 1 67 67 LEU CA C 67 54.750 54.750 55.474 -0.724 18987 4028 1 7 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.678 -0.658 18987 4029 1 7 . 1 1 67 67 LEU H H 67 7.907 7.907 7.865 0.042 18987 4030 1 7 . 1 1 68 68 ASP N N 68 118.063 118.063 117.824 0.239 18987 4031 1 7 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.212 0.202 18987 4032 1 7 . 1 1 68 68 ASP C C 68 177.521 177.521 176.974 0.547 18987 4033 1 7 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.531 -0.131 18987 4034 1 7 . 1 1 68 68 ASP CB C 68 39.640 39.640 39.379 0.261 18987 4035 1 7 . 1 1 68 68 ASP H H 68 7.878 7.878 7.648 0.230 18987 4036 1 7 . 1 1 69 69 LEU N N 69 115.724 115.724 118.776 -3.052 18987 4037 1 7 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.780 -0.341 18987 4038 1 7 . 1 1 69 69 LEU C C 69 177.584 177.584 177.890 -0.306 18987 4039 1 7 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.176 0.304 18987 4040 1 7 . 1 1 69 69 LEU CB C 69 38.700 38.700 41.222 -2.522 18987 4041 1 7 . 1 1 69 69 LEU H H 69 7.285 7.285 7.630 -0.345 18987 4042 1 7 . 1 1 70 70 LYS N N 70 119.751 119.751 118.834 0.917 18987 4043 1 7 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.756 0.205 18987 4044 1 7 . 1 1 70 70 LYS C C 70 177.903 177.903 178.184 -0.281 18987 4045 1 7 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.871 0.609 18987 4046 1 7 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.539 0.441 18987 4047 1 7 . 1 1 70 70 LYS H H 70 8.601 8.601 7.795 0.806 18987 4048 1 7 . 1 1 71 71 ASN N N 71 113.386 113.386 116.053 -2.667 18987 4049 1 7 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.603 0.123 18987 4050 1 7 . 1 1 71 71 ASN C C 71 176.808 176.808 176.888 -0.080 18987 4051 1 7 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.612 -1.242 18987 4052 1 7 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.487 1.473 18987 4053 1 7 . 1 1 71 71 ASN H H 71 6.965 6.965 7.729 -0.764 18987 4054 1 7 . 1 1 72 72 LYS N N 72 118.475 118.475 119.417 -0.942 18987 4055 1 7 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.167 -0.018 18987 4056 1 7 . 1 1 72 72 LYS C C 72 178.849 178.849 178.282 0.567 18987 4057 1 7 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.464 -0.544 18987 4058 1 7 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.622 1.408 18987 4059 1 7 . 1 1 72 72 LYS H H 72 8.113 8.113 7.529 0.584 18987 4060 1 7 . 1 1 73 73 LEU N N 73 120.458 120.458 120.273 0.185 18987 4061 1 7 . 1 1 73 73 LEU HA H 73 3.599 3.599 3.982 -0.383 18987 4062 1 7 . 1 1 73 73 LEU C C 73 178.126 178.126 178.456 -0.330 18987 4063 1 7 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.255 1.575 18987 4064 1 7 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.664 -0.764 18987 4065 1 7 . 1 1 73 73 LEU H H 73 8.549 8.549 8.236 0.313 18987 4066 1 7 . 1 1 74 74 GLN N N 74 112.719 112.719 115.039 -2.320 18987 4067 1 7 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.157 0.021 18987 4068 1 7 . 1 1 74 74 GLN C C 74 176.883 176.883 177.086 -0.203 18987 4069 1 7 . 1 1 74 74 GLN CA C 74 57.250 57.250 58.022 -0.772 18987 4070 1 7 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.609 -0.179 18987 4071 1 7 . 1 1 74 74 GLN H H 74 7.918 7.918 7.959 -0.041 18987 4072 1 7 . 1 1 75 75 THR N N 75 108.336 108.336 113.680 -5.344 18987 4073 1 7 . 1 1 75 75 THR HA H 75 4.410 4.410 4.442 -0.032 18987 4074 1 7 . 1 1 75 75 THR C C 75 174.619 174.619 174.612 0.007 18987 4075 1 7 . 1 1 75 75 THR CA C 75 61.760 61.760 61.780 -0.020 18987 4076 1 7 . 1 1 75 75 THR CB C 75 69.950 69.950 69.907 0.043 18987 4077 1 7 . 1 1 75 75 THR H H 75 7.620 7.620 7.569 0.051 18987 4078 1 7 . 1 1 76 76 LEU N N 76 122.754 122.754 119.963 2.791 18987 4079 1 7 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.622 -0.134 18987 4080 1 7 . 1 1 76 76 LEU C C 76 177.234 177.234 176.215 1.019 18987 4081 1 7 . 1 1 76 76 LEU CA C 76 54.190 54.190 53.848 0.342 18987 4082 1 7 . 1 1 76 76 LEU CB C 76 44.040 44.040 42.535 1.505 18987 4083 1 7 . 1 1 76 76 LEU H H 76 7.191 7.191 7.706 -0.515 18987 4084 1 7 . 1 1 77 77 SER N N 77 119.431 119.431 115.605 3.826 18987 4085 1 7 . 1 1 77 77 SER HA H 77 4.465 4.465 4.529 -0.064 18987 4086 1 7 . 1 1 77 77 SER C C 77 175.320 175.320 175.437 -0.117 18987 4087 1 7 . 1 1 77 77 SER CA C 77 57.360 57.360 58.245 -0.885 18987 4088 1 7 . 1 1 77 77 SER CB C 77 65.080 65.080 64.445 0.635 18987 4089 1 7 . 1 1 77 77 SER H H 77 9.367 9.367 8.375 0.992 18987 4090 1 7 . 1 1 78 78 ASP N N 78 122.766 122.766 124.108 -1.342 18987 4091 1 7 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.348 -0.153 18987 4092 1 7 . 1 1 78 78 ASP C C 78 178.211 178.211 177.701 0.510 18987 4093 1 7 . 1 1 78 78 ASP CA C 78 58.470 58.470 58.022 0.448 18987 4094 1 7 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.883 -1.423 18987 4095 1 7 . 1 1 78 78 ASP H H 78 9.055 9.055 8.935 0.120 18987 4096 1 7 . 1 1 79 79 ASP N N 79 117.917 117.917 119.799 -1.882 18987 4097 1 7 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.372 -0.097 18987 4098 1 7 . 1 1 79 79 ASP C C 79 179.179 179.179 178.013 1.166 18987 4099 1 7 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.327 0.673 18987 4100 1 7 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.827 -0.516 18987 4101 1 7 . 1 1 79 79 ASP H H 79 8.245 8.245 8.767 -0.522 18987 4102 1 7 . 1 1 80 80 GLU N N 80 120.229 120.229 119.106 1.123 18987 4103 1 7 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.248 -0.331 18987 4104 1 7 . 1 1 80 80 GLU C C 80 180.369 180.369 179.103 1.266 18987 4105 1 7 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.779 0.521 18987 4106 1 7 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.590 1.331 18987 4107 1 7 . 1 1 80 80 GLU H H 80 7.732 7.732 7.804 -0.072 18987 4108 1 7 . 1 1 81 81 LYS N N 81 120.163 120.163 120.149 0.014 18987 4109 1 7 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.305 -0.459 18987 4110 1 7 . 1 1 81 81 LYS C C 81 177.956 177.956 179.101 -1.145 18987 4111 1 7 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.724 1.216 18987 4112 1 7 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.524 1.096 18987 4113 1 7 . 1 1 81 81 LYS H H 81 8.340 8.340 7.620 0.720 18987 4114 1 7 . 1 1 82 82 LEU N N 82 117.478 117.478 119.345 -1.867 18987 4115 1 7 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.666 0.007 18987 4116 1 7 . 1 1 82 82 LEU C C 82 178.870 178.870 178.739 0.131 18987 4117 1 7 . 1 1 82 82 LEU CA C 82 57.770 57.770 58.014 -0.244 18987 4118 1 7 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.696 0.054 18987 4119 1 7 . 1 1 82 82 LEU H H 82 8.161 8.161 7.600 0.561 18987 4120 1 7 . 1 1 83 83 GLU N N 83 119.824 119.824 118.637 1.187 18987 4121 1 7 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.919 -0.179 18987 4122 1 7 . 1 1 83 83 GLU C C 83 179.009 179.009 179.205 -0.196 18987 4123 1 7 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.449 0.031 18987 4124 1 7 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.551 -0.211 18987 4125 1 7 . 1 1 83 83 GLU H H 83 7.999 7.999 7.835 0.164 18987 4126 1 7 . 1 1 84 84 LEU N N 84 119.684 119.684 119.932 -0.248 18987 4127 1 7 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.938 0.004 18987 4128 1 7 . 1 1 84 84 LEU C C 84 179.264 179.264 178.988 0.276 18987 4129 1 7 . 1 1 84 84 LEU CA C 84 58.090 58.090 58.005 0.085 18987 4130 1 7 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.853 0.457 18987 4131 1 7 . 1 1 84 84 LEU H H 84 7.470 7.470 7.738 -0.268 18987 4132 1 7 . 1 1 85 85 LEU N N 85 119.086 119.086 118.509 0.577 18987 4133 1 7 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.664 -0.280 18987 4134 1 7 . 1 1 85 85 LEU C C 85 176.064 176.064 179.175 -3.111 18987 4135 1 7 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.246 0.614 18987 4136 1 7 . 1 1 85 85 LEU CB C 85 42.360 42.360 40.919 1.441 18987 4137 1 7 . 1 1 85 85 LEU H H 85 7.726 7.726 7.744 -0.018 18987 4138 1 7 . 1 1 86 86 SER N N 86 105.708 105.708 112.794 -7.086 18987 4139 1 7 . 1 1 86 86 SER HA H 86 4.283 4.283 4.800 -0.517 18987 4140 1 7 . 1 1 86 86 SER C C 86 176.351 176.351 176.011 0.340 18987 4141 1 7 . 1 1 86 86 SER CA C 86 60.380 60.380 60.326 0.054 18987 4142 1 7 . 1 1 86 86 SER CB C 86 64.400 64.400 63.346 1.054 18987 4143 1 7 . 1 1 86 86 SER H H 86 7.617 7.617 7.913 -0.296 18987 4144 1 7 . 1 1 87 87 SER N N 87 115.392 115.392 117.177 -1.785 18987 4145 1 7 . 1 1 87 87 SER HA H 87 4.345 4.345 4.384 -0.039 18987 4146 1 7 . 1 1 87 87 SER C C 87 174.534 174.534 174.748 -0.214 18987 4147 1 7 . 1 1 87 87 SER CA C 87 59.820 59.820 60.843 -1.023 18987 4148 1 7 . 1 1 87 87 SER CB C 87 64.340 64.340 63.877 0.463 18987 4149 1 7 . 1 1 87 87 SER H H 87 7.644 7.644 7.840 -0.196 18987 4150 1 7 . 1 1 88 88 ASP N N 88 120.295 120.295 119.046 1.249 18987 4151 1 7 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.784 -0.180 18987 4152 1 7 . 1 1 88 88 ASP C C 88 175.618 175.618 176.527 -0.909 18987 4153 1 7 . 1 1 88 88 ASP CA C 88 54.010 54.010 54.119 -0.109 18987 4154 1 7 . 1 1 88 88 ASP CB C 88 41.020 41.020 43.420 -2.400 18987 4155 1 7 . 1 1 88 88 ASP H H 88 7.104 7.104 7.667 -0.563 18987 4156 1 7 . 1 1 89 89 GLY N N 89 111.841 111.841 111.183 0.658 18987 4157 1 7 . 1 1 89 89 GLY C C 89 176.171 176.171 174.700 1.471 18987 4158 1 7 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.590 1.090 18987 4159 1 7 . 1 1 89 89 GLY H H 89 9.325 9.325 8.388 0.937 18987 4160 1 7 . 1 1 90 90 MET N N 90 117.877 117.877 117.190 0.687 18987 4161 1 7 . 1 1 90 90 MET HA H 90 4.075 4.075 4.280 -0.205 18987 4162 1 7 . 1 1 90 90 MET C C 90 178.456 178.456 178.295 0.161 18987 4163 1 7 . 1 1 90 90 MET CA C 90 56.400 56.400 56.979 -0.579 18987 4164 1 7 . 1 1 90 90 MET CB C 90 30.540 30.540 31.659 -1.119 18987 4165 1 7 . 1 1 90 90 MET H H 90 8.593 8.593 7.924 0.669 18987 4166 1 7 . 1 1 91 91 LEU N N 91 118.027 118.027 118.118 -0.091 18987 4167 1 7 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.274 0.005 18987 4168 1 7 . 1 1 91 91 LEU C C 91 176.298 176.298 176.595 -0.297 18987 4169 1 7 . 1 1 91 91 LEU CA C 91 55.460 55.460 55.775 -0.315 18987 4170 1 7 . 1 1 91 91 LEU CB C 91 43.130 43.130 41.831 1.299 18987 4171 1 7 . 1 1 91 91 LEU H H 91 8.224 8.224 7.380 0.844 18987 4172 1 7 . 1 1 92 92 VAL N N 92 120.960 120.960 117.960 3.000 18987 4173 1 7 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.532 -0.531 18987 4174 1 7 . 1 1 92 92 VAL C C 92 175.990 175.990 176.420 -0.430 18987 4175 1 7 . 1 1 92 92 VAL CA C 92 61.150 61.150 59.315 1.835 18987 4176 1 7 . 1 1 92 92 VAL CB C 92 32.270 32.270 33.158 -0.888 18987 4177 1 7 . 1 1 92 92 VAL H H 92 7.093 7.093 7.055 0.038 18987 4178 1 7 . 1 1 93 93 LYS N N 93 130.687 130.687 124.223 6.464 18987 4179 1 7 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.124 -0.418 18987 4180 1 7 . 1 1 93 93 LYS C C 93 171.855 171.855 176.601 -4.746 18987 4181 1 7 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.291 1.629 18987 4182 1 7 . 1 1 93 93 LYS CB C 93 32.800 32.800 31.704 1.096 18987 4183 1 7 . 1 1 93 93 LYS H H 93 8.442 8.442 8.167 0.275 18987 4184 1 7 . 1 1 94 94 ARG N N 94 115.791 115.791 123.192 -7.401 18987 4185 1 7 . 1 1 94 94 ARG H H 94 7.676 7.676 8.445 -0.769 18987 4186 1 7 . 1 1 95 95 PRO C C 95 175.108 175.108 175.444 -0.336 18987 4187 1 7 . 1 1 96 96 LEU N N 96 128.494 128.494 126.139 2.355 18987 4188 1 7 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.343 -0.362 18987 4189 1 7 . 1 1 96 96 LEU C C 96 173.216 173.216 174.213 -0.997 18987 4190 1 7 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.795 1.075 18987 4191 1 7 . 1 1 96 96 LEU CB C 96 43.660 43.660 46.880 -3.220 18987 4192 1 7 . 1 1 96 96 LEU H H 96 8.246 8.246 8.471 -0.225 18987 4193 1 7 . 1 1 97 97 ALA N N 97 131.035 131.035 126.094 4.941 18987 4194 1 7 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.445 0.425 18987 4195 1 7 . 1 1 97 97 ALA C C 97 174.938 174.938 174.846 0.092 18987 4196 1 7 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.381 -1.531 18987 4197 1 7 . 1 1 97 97 ALA CB C 97 20.070 20.070 22.566 -2.496 18987 4198 1 7 . 1 1 97 97 ALA H H 97 8.839 8.839 9.000 -0.161 18987 4199 1 7 . 1 1 98 98 VAL N N 98 119.830 119.830 124.379 -4.549 18987 4200 1 7 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.366 0.190 18987 4201 1 7 . 1 1 98 98 VAL C C 98 173.896 173.896 173.429 0.467 18987 4202 1 7 . 1 1 98 98 VAL CA C 98 59.270 59.270 60.517 -1.247 18987 4203 1 7 . 1 1 98 98 VAL CB C 98 35.970 35.970 36.540 -0.570 18987 4204 1 7 . 1 1 98 98 VAL H H 98 8.824 8.824 8.624 0.200 18987 4205 1 7 . 1 1 99 99 MET N N 99 127.537 127.537 124.838 2.699 18987 4206 1 7 . 1 1 99 99 MET HA H 99 4.430 4.430 5.095 -0.664 18987 4207 1 7 . 1 1 99 99 MET CA C 99 56.710 56.710 53.999 2.711 18987 4208 1 7 . 1 1 99 99 MET CB C 99 31.050 31.050 35.689 -4.639 18987 4209 1 7 . 1 1 99 99 MET H H 99 8.873 8.873 9.006 -0.133 18987 4210 1 7 . 1 1 100 100 GLY C C 100 173.024 173.024 174.339 -1.315 18987 4211 1 7 . 1 1 100 100 GLY CA C 100 47.970 47.970 46.650 1.320 18987 4212 1 7 . 1 1 101 101 ASP N N 101 124.308 124.308 117.300 7.008 18987 4213 1 7 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.719 -0.520 18987 4214 1 7 . 1 1 101 101 ASP C C 101 175.172 175.172 175.708 -0.536 18987 4215 1 7 . 1 1 101 101 ASP CA C 101 53.310 53.310 53.165 0.145 18987 4216 1 7 . 1 1 101 101 ASP CB C 101 40.170 40.170 41.279 -1.109 18987 4217 1 7 . 1 1 101 101 ASP H H 101 8.257 8.257 8.551 -0.294 18987 4218 1 7 . 1 1 102 102 LYS N N 102 121.002 121.002 119.875 1.127 18987 4219 1 7 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.673 -0.267 18987 4220 1 7 . 1 1 102 102 LYS C C 102 174.257 174.257 174.298 -0.041 18987 4221 1 7 . 1 1 102 102 LYS CA C 102 55.370 55.370 55.334 0.036 18987 4222 1 7 . 1 1 102 102 LYS CB C 102 36.230 36.230 34.688 1.542 18987 4223 1 7 . 1 1 102 102 LYS H H 102 8.108 8.108 7.868 0.240 18987 4224 1 7 . 1 1 103 103 ILE N N 103 118.488 118.488 121.260 -2.772 18987 4225 1 7 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.134 0.725 18987 4226 1 7 . 1 1 103 103 ILE C C 103 173.652 173.652 173.943 -0.291 18987 4227 1 7 . 1 1 103 103 ILE CA C 103 58.620 58.620 59.910 -1.290 18987 4228 1 7 . 1 1 103 103 ILE CB C 103 42.250 42.250 42.341 -0.091 18987 4229 1 7 . 1 1 103 103 ILE H H 103 8.038 8.038 8.220 -0.182 18987 4230 1 7 . 1 1 104 104 THR N N 104 115.441 115.441 118.626 -3.185 18987 4231 1 7 . 1 1 104 104 THR HA H 104 4.524 4.524 4.674 -0.150 18987 4232 1 7 . 1 1 104 104 THR C C 104 173.503 173.503 172.671 0.832 18987 4233 1 7 . 1 1 104 104 THR CA C 104 60.660 60.660 60.738 -0.078 18987 4234 1 7 . 1 1 104 104 THR CB C 104 72.460 72.460 71.592 0.868 18987 4235 1 7 . 1 1 104 104 THR H H 104 9.360 9.360 9.284 0.076 18987 4236 1 7 . 1 1 105 105 LEU N N 105 123.352 123.352 127.047 -3.695 18987 4237 1 7 . 1 1 105 105 LEU HA H 105 5.023 5.023 4.658 0.365 18987 4238 1 7 . 1 1 105 105 LEU C C 105 178.860 178.860 177.386 1.474 18987 4239 1 7 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.582 -1.542 18987 4240 1 7 . 1 1 105 105 LEU CB C 105 44.290 44.290 43.563 0.727 18987 4241 1 7 . 1 1 105 105 LEU H H 105 8.857 8.857 8.772 0.085 18987 4242 1 7 . 1 1 106 106 GLY N N 106 108.363 108.363 111.645 -3.282 18987 4243 1 7 . 1 1 106 106 GLY C C 106 172.100 172.100 173.913 -1.813 18987 4244 1 7 . 1 1 106 106 GLY CA C 106 44.870 44.870 44.456 0.414 18987 4245 1 7 . 1 1 106 106 GLY H H 106 8.241 8.241 8.318 -0.077 18987 4246 1 7 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.687 0.001 18987 4247 1 7 . 1 1 107 107 PHE CA C 107 58.000 58.000 57.628 0.372 18987 4248 1 7 . 1 1 107 107 PHE CB C 107 41.620 41.620 38.865 2.755 18987 4249 1 7 . 1 1 108 108 LYS N N 108 129.677 129.677 128.236 1.441 18987 4250 1 7 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.171 -0.269 18987 4251 1 7 . 1 1 108 108 LYS CA C 108 54.650 54.650 54.648 0.002 18987 4252 1 7 . 1 1 108 108 LYS CB C 108 34.130 34.130 33.475 0.655 18987 4253 1 7 . 1 1 108 108 LYS H H 108 7.351 7.351 7.154 0.197 18987 4254 1 7 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.475 -0.515 18987 4255 1 7 . 1 1 109 109 GLU C C 109 177.255 177.255 177.537 -0.282 18987 4256 1 7 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.663 1.177 18987 4257 1 7 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.318 -0.018 18987 4258 1 7 . 1 1 110 110 ASP N N 110 115.831 115.831 119.006 -3.175 18987 4259 1 7 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.185 -0.028 18987 4260 1 7 . 1 1 110 110 ASP C C 110 178.456 178.456 177.901 0.555 18987 4261 1 7 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.145 -0.235 18987 4262 1 7 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.468 -1.258 18987 4263 1 7 . 1 1 110 110 ASP H H 110 8.654 8.654 8.068 0.586 18987 4264 1 7 . 1 1 111 111 GLN N N 111 119.458 119.458 118.292 1.166 18987 4265 1 7 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.910 0.171 18987 4266 1 7 . 1 1 111 111 GLN C C 111 179.189 179.189 178.293 0.896 18987 4267 1 7 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.705 -0.565 18987 4268 1 7 . 1 1 111 111 GLN CB C 111 28.850 28.850 27.838 1.012 18987 4269 1 7 . 1 1 111 111 GLN H H 111 6.993 6.993 8.257 -1.264 18987 4270 1 7 . 1 1 112 112 TYR N N 112 124.973 124.973 119.680 5.293 18987 4271 1 7 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.258 -0.331 18987 4272 1 7 . 1 1 112 112 TYR C C 112 178.254 178.254 178.036 0.218 18987 4273 1 7 . 1 1 112 112 TYR CA C 112 62.690 62.690 59.993 2.697 18987 4274 1 7 . 1 1 112 112 TYR CB C 112 36.660 36.660 37.912 -1.252 18987 4275 1 7 . 1 1 112 112 TYR H H 112 8.289 8.289 7.689 0.600 18987 4276 1 7 . 1 1 113 113 LYS N N 113 118.329 118.329 118.955 -0.626 18987 4277 1 7 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.135 -0.222 18987 4278 1 7 . 1 1 113 113 LYS C C 113 178.296 178.296 178.169 0.127 18987 4279 1 7 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.573 1.507 18987 4280 1 7 . 1 1 113 113 LYS CB C 113 32.810 32.810 31.924 0.886 18987 4281 1 7 . 1 1 113 113 LYS H H 113 8.310 8.310 8.214 0.096 18987 4282 1 7 . 1 1 114 114 GLU N N 114 115.605 115.605 119.360 -3.755 18987 4283 1 7 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.276 -0.380 18987 4284 1 7 . 1 1 114 114 GLU C C 114 177.308 177.308 178.142 -0.834 18987 4285 1 7 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.637 -0.327 18987 4286 1 7 . 1 1 114 114 GLU CB C 114 30.140 30.140 29.861 0.279 18987 4287 1 7 . 1 1 114 114 GLU H H 114 7.603 7.603 8.012 -0.409 18987 4288 1 7 . 1 1 115 115 THR N N 115 112.256 112.256 113.701 -1.445 18987 4289 1 7 . 1 1 115 115 THR HA H 115 3.666 3.666 4.104 -0.438 18987 4290 1 7 . 1 1 115 115 THR C C 115 174.672 174.672 175.677 -1.005 18987 4291 1 7 . 1 1 115 115 THR CA C 115 65.710 65.710 64.937 0.773 18987 4292 1 7 . 1 1 115 115 THR CB C 115 68.700 68.700 68.835 -0.135 18987 4293 1 7 . 1 1 115 115 THR H H 115 7.591 7.591 7.772 -0.181 18987 4294 1 7 . 1 1 116 116 TRP N N 116 116.495 116.495 120.616 -4.121 18987 4295 1 7 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.511 0.792 18987 4296 1 7 . 1 1 116 116 TRP C C 116 176.553 176.553 177.038 -0.485 18987 4297 1 7 . 1 1 116 116 TRP CA C 116 55.620 55.620 58.425 -2.805 18987 4298 1 7 . 1 1 116 116 TRP CB C 116 31.430 31.430 29.916 1.514 18987 4299 1 7 . 1 1 116 116 TRP H H 116 7.661 7.661 7.610 0.051 18987 4300 1 7 . 1 1 117 117 LEU N N 117 116.588 116.588 117.257 -0.669 18987 4301 1 7 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.501 0.101 18987 4302 1 7 . 1 1 117 117 LEU C C 117 175.788 175.788 176.602 -0.814 18987 4303 1 7 . 1 1 117 117 LEU CA C 117 53.860 53.860 53.824 0.036 18987 4304 1 7 . 1 1 117 117 LEU CB C 117 40.880 40.880 42.837 -1.957 18987 4305 1 7 . 1 1 117 117 LEU H H 117 6.922 6.922 7.502 -0.580 18987 4306 1 8 . 1 1 2 2 ILE N N 2 124.348 124.348 122.807 1.541 18987 4307 1 8 . 1 1 2 2 ILE HA H 2 3.576 3.576 3.911 -0.335 18987 4308 1 8 . 1 1 2 2 ILE C C 2 175.884 175.884 175.802 0.082 18987 4309 1 8 . 1 1 2 2 ILE CA C 2 62.790 62.790 62.089 0.701 18987 4310 1 8 . 1 1 2 2 ILE CB C 2 40.400 40.400 36.946 3.454 18987 4311 1 8 . 1 1 2 2 ILE H H 2 7.539 7.539 8.095 -0.556 18987 4312 1 8 . 1 1 3 3 LYS N N 3 128.600 128.600 128.193 0.407 18987 4313 1 8 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.228 0.107 18987 4314 1 8 . 1 1 3 3 LYS C C 3 173.322 173.322 175.954 -2.632 18987 4315 1 8 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.887 1.743 18987 4316 1 8 . 1 1 3 3 LYS CB C 3 32.800 32.800 30.735 2.065 18987 4317 1 8 . 1 1 3 3 LYS H H 3 8.524 8.524 8.490 0.034 18987 4318 1 8 . 1 1 4 4 PHE N N 4 128.560 128.560 128.220 0.340 18987 4319 1 8 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.796 0.039 18987 4320 1 8 . 1 1 4 4 PHE C C 4 172.546 172.546 173.870 -1.324 18987 4321 1 8 . 1 1 4 4 PHE CA C 4 56.570 56.570 55.762 0.808 18987 4322 1 8 . 1 1 4 4 PHE CB C 4 42.600 42.600 39.237 3.363 18987 4323 1 8 . 1 1 4 4 PHE H H 4 8.412 8.412 8.185 0.227 18987 4324 1 8 . 1 1 5 5 TYR N N 5 125.785 125.785 128.405 -2.620 18987 4325 1 8 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.531 -0.405 18987 4326 1 8 . 1 1 5 5 TYR C C 5 175.852 175.852 174.970 0.882 18987 4327 1 8 . 1 1 5 5 TYR CA C 5 57.980 57.980 57.321 0.659 18987 4328 1 8 . 1 1 5 5 TYR CB C 5 38.550 38.550 38.926 -0.376 18987 4329 1 8 . 1 1 5 5 TYR H H 5 9.313 9.313 8.537 0.776 18987 4330 1 8 . 1 1 6 6 GLN N N 6 117.436 117.436 121.554 -4.118 18987 4331 1 8 . 1 1 6 6 GLN HA H 6 4.622 4.622 5.001 -0.379 18987 4332 1 8 . 1 1 6 6 GLN C C 6 171.951 171.951 173.721 -1.770 18987 4333 1 8 . 1 1 6 6 GLN CA C 6 53.430 53.430 53.595 -0.165 18987 4334 1 8 . 1 1 6 6 GLN CB C 6 30.490 30.490 32.696 -2.206 18987 4335 1 8 . 1 1 6 6 GLN H H 6 9.110 9.110 8.516 0.594 18987 4336 1 8 . 1 1 7 7 TYR N N 7 116.309 116.309 120.906 -4.597 18987 4337 1 8 . 1 1 7 7 TYR HA H 7 4.953 4.953 4.675 0.278 18987 4338 1 8 . 1 1 7 7 TYR CA C 7 56.130 56.130 58.273 -2.143 18987 4339 1 8 . 1 1 7 7 TYR CB C 7 42.860 42.860 40.686 2.174 18987 4340 1 8 . 1 1 7 7 TYR H H 7 7.075 7.075 8.487 -1.412 18987 4341 1 8 . 1 1 12 12 THR HA H 12 3.868 3.868 3.973 -0.105 18987 4342 1 8 . 1 1 12 12 THR C C 12 176.203 176.203 176.212 -0.009 18987 4343 1 8 . 1 1 12 12 THR CA C 12 65.930 65.930 65.653 0.277 18987 4344 1 8 . 1 1 12 12 THR CB C 12 68.630 68.630 68.388 0.242 18987 4345 1 8 . 1 1 13 13 CYS N N 13 116.721 116.721 120.844 -4.123 18987 4346 1 8 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.029 0.202 18987 4347 1 8 . 1 1 13 13 CYS C C 13 174.938 174.938 176.344 -1.406 18987 4348 1 8 . 1 1 13 13 CYS CA C 13 63.790 63.790 62.936 0.854 18987 4349 1 8 . 1 1 13 13 CYS CB C 13 33.590 33.590 27.616 5.974 18987 4350 1 8 . 1 1 13 13 CYS H H 13 8.441 8.441 8.693 -0.252 18987 4351 1 8 . 1 1 14 14 LYS N N 14 119.429 119.429 118.102 1.327 18987 4352 1 8 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.129 -0.092 18987 4353 1 8 . 1 1 14 14 LYS C C 14 179.370 179.370 179.323 0.047 18987 4354 1 8 . 1 1 14 14 LYS CA C 14 59.150 59.150 58.629 0.521 18987 4355 1 8 . 1 1 14 14 LYS CB C 14 32.270 32.270 31.749 0.521 18987 4356 1 8 . 1 1 14 14 LYS H H 14 7.805 7.805 7.702 0.103 18987 4357 1 8 . 1 1 15 15 LYS N N 15 119.379 119.379 119.709 -0.330 18987 4358 1 8 . 1 1 15 15 LYS HA H 15 3.677 3.677 4.125 -0.448 18987 4359 1 8 . 1 1 15 15 LYS C C 15 177.999 177.999 179.227 -1.228 18987 4360 1 8 . 1 1 15 15 LYS CA C 15 59.270 59.270 58.809 0.461 18987 4361 1 8 . 1 1 15 15 LYS CB C 15 32.630 32.630 31.895 0.735 18987 4362 1 8 . 1 1 15 15 LYS H H 15 7.612 7.612 7.859 -0.247 18987 4363 1 8 . 1 1 16 16 ALA N N 16 122.940 122.940 121.002 1.938 18987 4364 1 8 . 1 1 16 16 ALA HA H 16 2.906 2.906 4.170 -1.264 18987 4365 1 8 . 1 1 16 16 ALA C C 16 177.999 177.999 179.290 -1.291 18987 4366 1 8 . 1 1 16 16 ALA CA C 16 54.370 54.370 54.939 -0.569 18987 4367 1 8 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.266 1.004 18987 4368 1 8 . 1 1 16 16 ALA H H 16 7.346 7.346 8.548 -1.202 18987 4369 1 8 . 1 1 17 17 ALA N N 17 120.093 120.093 120.991 -0.898 18987 4370 1 8 . 1 1 17 17 ALA HA H 17 2.965 2.965 2.883 0.082 18987 4371 1 8 . 1 1 17 17 ALA C C 17 178.466 178.466 178.945 -0.479 18987 4372 1 8 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.813 0.057 18987 4373 1 8 . 1 1 17 17 ALA CB C 17 17.270 17.270 18.235 -0.965 18987 4374 1 8 . 1 1 17 17 ALA H H 17 7.959 7.959 7.771 0.188 18987 4375 1 8 . 1 1 18 18 LYS N N 18 115.894 115.894 119.461 -3.567 18987 4376 1 8 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.070 -0.105 18987 4377 1 8 . 1 1 18 18 LYS C C 18 178.647 178.647 178.499 0.148 18987 4378 1 8 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.504 0.406 18987 4379 1 8 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.118 0.062 18987 4380 1 8 . 1 1 18 18 LYS H H 18 7.565 7.565 7.883 -0.318 18987 4381 1 8 . 1 1 19 19 PHE N N 19 120.854 120.854 120.673 0.181 18987 4382 1 8 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.330 -0.091 18987 4383 1 8 . 1 1 19 19 PHE C C 19 176.925 176.925 177.557 -0.632 18987 4384 1 8 . 1 1 19 19 PHE CA C 19 61.730 61.730 61.745 -0.015 18987 4385 1 8 . 1 1 19 19 PHE CB C 19 39.140 39.140 39.144 -0.004 18987 4386 1 8 . 1 1 19 19 PHE H H 19 7.496 7.496 7.886 -0.390 18987 4387 1 8 . 1 1 20 20 LEU N N 20 118.913 118.913 118.487 0.426 18987 4388 1 8 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.672 0.226 18987 4389 1 8 . 1 1 20 20 LEU C C 20 179.657 179.657 178.337 1.320 18987 4390 1 8 . 1 1 20 20 LEU CA C 20 58.330 58.330 57.657 0.673 18987 4391 1 8 . 1 1 20 20 LEU CB C 20 40.460 40.460 40.958 -0.498 18987 4392 1 8 . 1 1 20 20 LEU H H 20 8.012 8.012 7.821 0.191 18987 4393 1 8 . 1 1 21 21 ASP N N 21 118.448 118.448 118.793 -0.345 18987 4394 1 8 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.447 0.009 18987 4395 1 8 . 1 1 21 21 ASP C C 21 180.358 180.358 178.429 1.929 18987 4396 1 8 . 1 1 21 21 ASP CA C 21 57.680 57.680 57.145 0.534 18987 4397 1 8 . 1 1 21 21 ASP CB C 21 40.520 40.520 41.104 -0.584 18987 4398 1 8 . 1 1 21 21 ASP H H 21 8.814 8.814 7.943 0.871 18987 4399 1 8 . 1 1 22 22 GLU N N 22 122.661 122.661 119.137 3.524 18987 4400 1 8 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.008 -0.266 18987 4401 1 8 . 1 1 22 22 GLU C C 22 178.371 178.371 178.156 0.215 18987 4402 1 8 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.833 0.407 18987 4403 1 8 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.695 -0.915 18987 4404 1 8 . 1 1 22 22 GLU H H 22 8.544 8.544 7.796 0.748 18987 4405 1 8 . 1 1 23 23 TYR N N 23 114.768 114.768 116.889 -2.121 18987 4406 1 8 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.374 -0.124 18987 4407 1 8 . 1 1 23 23 TYR C C 23 175.724 175.724 175.414 0.310 18987 4408 1 8 . 1 1 23 23 TYR CA C 23 59.070 59.070 58.765 0.305 18987 4409 1 8 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.535 0.485 18987 4410 1 8 . 1 1 23 23 TYR H H 23 7.522 7.522 7.710 -0.188 18987 4411 1 8 . 1 1 24 24 GLY N N 24 110.449 110.449 107.420 3.029 18987 4412 1 8 . 1 1 24 24 GLY C C 24 174.534 174.534 174.935 -0.401 18987 4413 1 8 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.486 1.634 18987 4414 1 8 . 1 1 24 24 GLY H H 24 7.792 7.792 7.222 0.570 18987 4415 1 8 . 1 1 25 25 VAL N N 25 122.714 122.714 119.489 3.225 18987 4416 1 8 . 1 1 25 25 VAL HA H 25 3.959 3.959 3.975 -0.016 18987 4417 1 8 . 1 1 25 25 VAL C C 25 176.266 176.266 176.381 -0.115 18987 4418 1 8 . 1 1 25 25 VAL CA C 25 62.000 62.000 62.836 -0.836 18987 4419 1 8 . 1 1 25 25 VAL CB C 25 32.480 32.480 32.204 0.276 18987 4420 1 8 . 1 1 25 25 VAL H H 25 8.393 8.393 8.008 0.385 18987 4421 1 8 . 1 1 26 26 SER N N 26 123.498 123.498 124.553 -1.055 18987 4422 1 8 . 1 1 26 26 SER HA H 26 4.351 4.351 4.470 -0.119 18987 4423 1 8 . 1 1 26 26 SER C C 26 173.513 173.513 173.437 0.076 18987 4424 1 8 . 1 1 26 26 SER CA C 26 59.040 59.040 58.752 0.288 18987 4425 1 8 . 1 1 26 26 SER CB C 26 63.530 63.530 61.919 1.611 18987 4426 1 8 . 1 1 26 26 SER H H 26 8.559 8.559 8.705 -0.146 18987 4427 1 8 . 1 1 27 27 TYR N N 27 119.756 119.756 121.510 -1.754 18987 4428 1 8 . 1 1 27 27 TYR HA H 27 4.983 4.983 5.156 -0.173 18987 4429 1 8 . 1 1 27 27 TYR C C 27 172.355 172.355 174.872 -2.517 18987 4430 1 8 . 1 1 27 27 TYR CA C 27 55.750 55.750 54.485 1.265 18987 4431 1 8 . 1 1 27 27 TYR CB C 27 40.730 40.730 40.855 -0.125 18987 4432 1 8 . 1 1 27 27 TYR H H 27 7.838 7.838 7.881 -0.043 18987 4433 1 8 . 1 1 28 28 GLU N N 28 123.126 123.126 120.773 2.353 18987 4434 1 8 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.707 0.021 18987 4435 1 8 . 1 1 28 28 GLU CA C 28 51.420 51.420 52.123 -0.703 18987 4436 1 8 . 1 1 28 28 GLU CB C 28 31.790 31.790 31.524 0.266 18987 4437 1 8 . 1 1 28 28 GLU H H 28 9.006 9.006 8.880 0.126 18987 4438 1 8 . 1 1 29 29 PRO HA H 29 5.619 5.619 4.969 0.650 18987 4439 1 8 . 1 1 29 29 PRO C C 29 177.276 177.276 176.296 0.980 18987 4440 1 8 . 1 1 29 29 PRO CA C 29 61.820 61.820 63.512 -1.692 18987 4441 1 8 . 1 1 29 29 PRO CB C 29 31.890 31.890 31.360 0.530 18987 4442 1 8 . 1 1 30 30 ILE N N 30 127.043 127.043 119.621 7.422 18987 4443 1 8 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.367 -0.263 18987 4444 1 8 . 1 1 30 30 ILE C C 30 174.948 174.948 173.983 0.965 18987 4445 1 8 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.342 2.018 18987 4446 1 8 . 1 1 30 30 ILE CB C 30 42.210 42.210 41.390 0.820 18987 4447 1 8 . 1 1 30 30 ILE H H 30 9.148 9.148 8.227 0.921 18987 4448 1 8 . 1 1 31 31 ASP N N 31 128.946 128.946 124.700 4.246 18987 4449 1 8 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.361 -0.469 18987 4450 1 8 . 1 1 31 31 ASP C C 31 176.373 176.373 176.873 -0.500 18987 4451 1 8 . 1 1 31 31 ASP CA C 31 54.600 54.600 55.675 -1.075 18987 4452 1 8 . 1 1 31 31 ASP CB C 31 42.920 42.920 41.761 1.159 18987 4453 1 8 . 1 1 31 31 ASP H H 31 9.092 9.092 8.615 0.477 18987 4454 1 8 . 1 1 32 32 ILE N N 32 127.576 127.576 124.537 3.039 18987 4455 1 8 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.279 -0.187 18987 4456 1 8 . 1 1 32 32 ILE C C 32 174.013 174.013 176.079 -2.066 18987 4457 1 8 . 1 1 32 32 ILE CA C 32 62.520 62.520 62.702 -0.182 18987 4458 1 8 . 1 1 32 32 ILE CB C 32 40.750 40.750 39.052 1.698 18987 4459 1 8 . 1 1 32 32 ILE H H 32 9.362 9.362 8.434 0.928 18987 4460 1 8 . 1 1 33 33 VAL N N 33 123.498 123.498 117.634 5.864 18987 4461 1 8 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.901 -0.258 18987 4462 1 8 . 1 1 33 33 VAL C C 33 176.819 176.819 176.969 -0.150 18987 4463 1 8 . 1 1 33 33 VAL CA C 33 65.050 65.050 63.142 1.908 18987 4464 1 8 . 1 1 33 33 VAL CB C 33 31.970 31.970 31.492 0.478 18987 4465 1 8 . 1 1 33 33 VAL H H 33 8.445 8.445 7.900 0.545 18987 4466 1 8 . 1 1 34 34 GLN N N 34 119.897 119.897 119.126 0.771 18987 4467 1 8 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.017 -0.064 18987 4468 1 8 . 1 1 34 34 GLN C C 34 176.734 176.734 175.892 0.842 18987 4469 1 8 . 1 1 34 34 GLN CA C 34 57.540 57.540 57.817 -0.277 18987 4470 1 8 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.043 0.817 18987 4471 1 8 . 1 1 34 34 GLN H H 34 8.650 8.650 8.384 0.266 18987 4472 1 8 . 1 1 35 35 HIS N N 35 118.090 118.090 116.933 1.157 18987 4473 1 8 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.814 0.150 18987 4474 1 8 . 1 1 35 35 HIS C C 35 173.758 173.758 173.830 -0.072 18987 4475 1 8 . 1 1 35 35 HIS CA C 35 53.660 53.660 54.100 -0.440 18987 4476 1 8 . 1 1 35 35 HIS CB C 35 29.190 29.190 29.921 -0.731 18987 4477 1 8 . 1 1 35 35 HIS H H 35 8.178 8.178 7.635 0.543 18987 4478 1 8 . 1 1 36 36 THR N N 36 118.794 118.794 119.102 -0.308 18987 4479 1 8 . 1 1 36 36 THR HA H 36 4.142 4.142 4.686 -0.544 18987 4480 1 8 . 1 1 36 36 THR CA C 36 62.080 62.080 61.593 0.487 18987 4481 1 8 . 1 1 36 36 THR CB C 36 70.180 70.180 68.886 1.294 18987 4482 1 8 . 1 1 36 36 THR H H 36 7.468 7.468 7.700 -0.232 18987 4483 1 8 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.509 -0.234 18987 4484 1 8 . 1 1 37 37 PRO C C 37 174.970 174.970 176.393 -1.423 18987 4485 1 8 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.273 0.697 18987 4486 1 8 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.978 -2.548 18987 4487 1 8 . 1 1 38 38 THR N N 38 111.512 111.512 113.541 -2.029 18987 4488 1 8 . 1 1 38 38 THR HA H 38 4.298 4.298 4.449 -0.151 18987 4489 1 8 . 1 1 38 38 THR C C 38 175.756 175.756 176.671 -0.915 18987 4490 1 8 . 1 1 38 38 THR CA C 38 60.700 60.700 60.451 0.249 18987 4491 1 8 . 1 1 38 38 THR CB C 38 71.560 71.560 69.981 1.579 18987 4492 1 8 . 1 1 38 38 THR H H 38 8.220 8.220 7.779 0.441 18987 4493 1 8 . 1 1 39 39 ILE N N 39 119.950 119.950 120.792 -0.842 18987 4494 1 8 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.784 -0.107 18987 4495 1 8 . 1 1 39 39 ILE C C 39 177.871 177.871 177.885 -0.014 18987 4496 1 8 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.920 1.180 18987 4497 1 8 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.702 0.438 18987 4498 1 8 . 1 1 39 39 ILE H H 39 8.763 8.763 8.589 0.174 18987 4499 1 8 . 1 1 40 40 ASN N N 40 116.189 116.189 116.892 -0.703 18987 4500 1 8 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.485 -0.136 18987 4501 1 8 . 1 1 40 40 ASN C C 40 178.445 178.445 177.491 0.954 18987 4502 1 8 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.422 -0.092 18987 4503 1 8 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.596 0.344 18987 4504 1 8 . 1 1 40 40 ASN H H 40 8.180 8.180 8.549 -0.369 18987 4505 1 8 . 1 1 41 41 GLU N N 41 121.970 121.970 121.053 0.917 18987 4506 1 8 . 1 1 41 41 GLU HA H 41 3.915 3.915 4.053 -0.138 18987 4507 1 8 . 1 1 41 41 GLU C C 41 180.093 180.093 178.889 1.204 18987 4508 1 8 . 1 1 41 41 GLU CA C 41 59.590 59.590 59.264 0.326 18987 4509 1 8 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.283 0.467 18987 4510 1 8 . 1 1 41 41 GLU H H 41 7.782 7.782 7.593 0.189 18987 4511 1 8 . 1 1 42 42 PHE N N 42 118.929 118.929 119.199 -0.270 18987 4512 1 8 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.116 0.054 18987 4513 1 8 . 1 1 42 42 PHE C C 42 178.488 178.488 177.583 0.905 18987 4514 1 8 . 1 1 42 42 PHE CA C 42 63.020 63.020 61.872 1.148 18987 4515 1 8 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.748 0.482 18987 4516 1 8 . 1 1 42 42 PHE H H 42 8.776 8.776 8.464 0.312 18987 4517 1 8 . 1 1 43 43 LYS N N 43 118.820 118.820 117.549 1.271 18987 4518 1 8 . 1 1 43 43 LYS HA H 43 3.795 3.795 3.973 -0.178 18987 4519 1 8 . 1 1 43 43 LYS C C 43 179.816 179.816 178.878 0.938 18987 4520 1 8 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.698 1.452 18987 4521 1 8 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.903 0.337 18987 4522 1 8 . 1 1 43 43 LYS H H 43 8.775 8.775 8.310 0.465 18987 4523 1 8 . 1 1 44 44 THR N N 44 118.754 118.754 117.971 0.783 18987 4524 1 8 . 1 1 44 44 THR HA H 44 3.894 3.894 4.030 -0.136 18987 4525 1 8 . 1 1 44 44 THR C C 44 175.214 175.214 176.275 -1.061 18987 4526 1 8 . 1 1 44 44 THR CA C 44 66.900 66.900 67.379 -0.479 18987 4527 1 8 . 1 1 44 44 THR CB C 44 68.920 68.920 68.635 0.285 18987 4528 1 8 . 1 1 44 44 THR H H 44 7.959 7.959 8.019 -0.060 18987 4529 1 8 . 1 1 45 45 ILE N N 45 122.671 122.671 119.589 3.082 18987 4530 1 8 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.869 -0.062 18987 4531 1 8 . 1 1 45 45 ILE C C 45 180.273 180.273 177.544 2.729 18987 4532 1 8 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.852 1.198 18987 4533 1 8 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.391 1.359 18987 4534 1 8 . 1 1 45 45 ILE H H 45 8.100 8.100 7.645 0.455 18987 4535 1 8 . 1 1 46 46 ILE N N 46 123.392 123.392 121.008 2.384 18987 4536 1 8 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.967 -0.442 18987 4537 1 8 . 1 1 46 46 ILE C C 46 178.509 178.509 177.412 1.097 18987 4538 1 8 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.479 1.331 18987 4539 1 8 . 1 1 46 46 ILE CB C 46 38.110 38.110 37.969 0.141 18987 4540 1 8 . 1 1 46 46 ILE H H 46 8.778 8.778 8.268 0.510 18987 4541 1 8 . 1 1 47 47 ALA N N 47 123.336 123.336 122.117 1.219 18987 4542 1 8 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.054 -0.006 18987 4543 1 8 . 1 1 47 47 ALA C C 47 180.114 180.114 178.936 1.178 18987 4544 1 8 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.925 -0.025 18987 4545 1 8 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.460 -0.130 18987 4546 1 8 . 1 1 47 47 ALA H H 47 8.232 8.232 7.856 0.376 18987 4547 1 8 . 1 1 48 48 ASN N N 48 114.090 114.090 115.962 -1.872 18987 4548 1 8 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.622 -0.132 18987 4549 1 8 . 1 1 48 48 ASN C C 48 177.776 177.776 178.359 -0.583 18987 4550 1 8 . 1 1 48 48 ASN CA C 48 55.070 55.070 55.702 -0.632 18987 4551 1 8 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.120 -0.450 18987 4552 1 8 . 1 1 48 48 ASN H H 48 8.464 8.464 8.098 0.366 18987 4553 1 8 . 1 1 49 49 THR N N 49 106.742 106.742 109.508 -2.766 18987 4554 1 8 . 1 1 49 49 THR HA H 49 4.471 4.471 4.440 0.031 18987 4555 1 8 . 1 1 49 49 THR C C 49 176.968 176.968 175.961 1.007 18987 4556 1 8 . 1 1 49 49 THR CA C 49 62.550 62.550 63.624 -1.074 18987 4557 1 8 . 1 1 49 49 THR CB C 49 72.150 72.150 70.034 2.116 18987 4558 1 8 . 1 1 49 49 THR H H 49 8.035 8.035 8.098 -0.064 18987 4559 1 8 . 1 1 50 50 GLY N N 50 112.246 112.246 111.597 0.649 18987 4560 1 8 . 1 1 50 50 GLY C C 50 174.055 174.055 174.762 -0.707 18987 4561 1 8 . 1 1 50 50 GLY CA C 50 45.940 45.940 45.337 0.603 18987 4562 1 8 . 1 1 50 50 GLY H H 50 8.323 8.323 7.759 0.564 18987 4563 1 8 . 1 1 51 51 VAL N N 51 121.212 121.212 119.737 1.475 18987 4564 1 8 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.118 -0.243 18987 4565 1 8 . 1 1 51 51 VAL C C 51 173.120 173.120 175.837 -2.717 18987 4566 1 8 . 1 1 51 51 VAL CA C 51 61.380 61.380 61.591 -0.211 18987 4567 1 8 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.570 -1.680 18987 4568 1 8 . 1 1 51 51 VAL H H 51 7.429 7.429 7.460 -0.031 18987 4569 1 8 . 1 1 52 52 GLU N N 52 126.158 126.158 126.458 -0.300 18987 4570 1 8 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.246 -0.137 18987 4571 1 8 . 1 1 52 52 GLU C C 52 178.190 178.190 176.831 1.359 18987 4572 1 8 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.707 -0.467 18987 4573 1 8 . 1 1 52 52 GLU CB C 52 30.190 30.190 29.788 0.402 18987 4574 1 8 . 1 1 52 52 GLU H H 52 7.881 7.881 8.469 -0.588 18987 4575 1 8 . 1 1 53 53 ILE N N 53 125.807 125.807 126.731 -0.924 18987 4576 1 8 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.776 -0.352 18987 4577 1 8 . 1 1 53 53 ILE C C 53 177.425 177.425 177.238 0.187 18987 4578 1 8 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.471 2.309 18987 4579 1 8 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.139 -0.179 18987 4580 1 8 . 1 1 53 53 ILE H H 53 8.430 8.430 8.836 -0.406 18987 4581 1 8 . 1 1 54 54 ASN N N 54 116.588 116.588 117.816 -1.228 18987 4582 1 8 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.653 -0.197 18987 4583 1 8 . 1 1 54 54 ASN C C 54 178.807 178.807 177.347 1.460 18987 4584 1 8 . 1 1 54 54 ASN CA C 54 55.770 55.770 56.615 -0.845 18987 4585 1 8 . 1 1 54 54 ASN CB C 54 37.140 37.140 38.286 -1.146 18987 4586 1 8 . 1 1 54 54 ASN H H 54 8.585 8.585 8.550 0.035 18987 4587 1 8 . 1 1 55 55 LYS N N 55 117.013 117.013 118.256 -1.243 18987 4588 1 8 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.117 -0.015 18987 4589 1 8 . 1 1 55 55 LYS C C 55 176.819 176.819 177.887 -1.068 18987 4590 1 8 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.465 -0.905 18987 4591 1 8 . 1 1 55 55 LYS CB C 55 32.180 32.180 31.810 0.370 18987 4592 1 8 . 1 1 55 55 LYS H H 55 7.661 7.661 7.531 0.130 18987 4593 1 8 . 1 1 56 56 LEU N N 56 114.768 114.768 119.438 -4.670 18987 4594 1 8 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.163 -0.236 18987 4595 1 8 . 1 1 56 56 LEU C C 56 176.702 176.702 177.034 -0.332 18987 4596 1 8 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.937 -0.017 18987 4597 1 8 . 1 1 56 56 LEU CB C 56 42.020 42.020 41.706 0.314 18987 4598 1 8 . 1 1 56 56 LEU H H 56 7.690 7.690 7.180 0.510 18987 4599 1 8 . 1 1 57 57 PHE N N 57 114.558 114.558 117.052 -2.494 18987 4600 1 8 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.554 -0.106 18987 4601 1 8 . 1 1 57 57 PHE C C 57 176.319 176.319 177.150 -0.831 18987 4602 1 8 . 1 1 57 57 PHE CA C 57 58.470 58.470 59.271 -0.801 18987 4603 1 8 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.231 1.469 18987 4604 1 8 . 1 1 57 57 PHE H H 57 7.032 7.032 7.540 -0.508 18987 4605 1 8 . 1 1 58 58 ASN N N 58 118.674 118.674 120.820 -2.146 18987 4606 1 8 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.714 -0.228 18987 4607 1 8 . 1 1 58 58 ASN CA C 58 51.540 51.540 52.888 -1.348 18987 4608 1 8 . 1 1 58 58 ASN CB C 58 36.910 36.910 37.556 -0.646 18987 4609 1 8 . 1 1 58 58 ASN H H 58 8.659 8.659 8.560 0.099 18987 4610 1 8 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.268 0.294 18987 4611 1 8 . 1 1 60 60 HIS C C 60 176.309 176.309 175.712 0.597 18987 4612 1 8 . 1 1 60 60 HIS CA C 60 55.920 55.920 56.315 -0.395 18987 4613 1 8 . 1 1 60 60 HIS CB C 60 30.890 30.890 28.663 2.227 18987 4614 1 8 . 1 1 61 61 GLY N N 61 106.925 106.925 106.149 0.776 18987 4615 1 8 . 1 1 61 61 GLY CA C 61 45.180 45.180 44.889 0.291 18987 4616 1 8 . 1 1 61 61 GLY H H 61 7.284 7.284 8.168 -0.884 18987 4617 1 8 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.056 -0.008 18987 4618 1 8 . 1 1 63 63 LYS C C 63 177.435 177.435 178.741 -1.306 18987 4619 1 8 . 1 1 63 63 LYS CA C 63 58.300 58.300 59.318 -1.018 18987 4620 1 8 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.506 -1.346 18987 4621 1 8 . 1 1 64 64 TYR N N 64 119.737 119.737 120.304 -0.567 18987 4622 1 8 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.165 -0.509 18987 4623 1 8 . 1 1 64 64 TYR C C 64 178.339 178.339 176.543 1.796 18987 4624 1 8 . 1 1 64 64 TYR CA C 64 61.610 61.610 61.486 0.124 18987 4625 1 8 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.579 0.321 18987 4626 1 8 . 1 1 64 64 TYR H H 64 7.644 7.644 8.005 -0.361 18987 4627 1 8 . 1 1 65 65 ARG N N 65 118.236 118.236 117.161 1.075 18987 4628 1 8 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.296 -0.086 18987 4629 1 8 . 1 1 65 65 ARG C C 65 179.816 179.816 177.706 2.110 18987 4630 1 8 . 1 1 65 65 ARG CA C 65 59.090 59.090 56.859 2.231 18987 4631 1 8 . 1 1 65 65 ARG CB C 65 30.160 30.160 29.868 0.292 18987 4632 1 8 . 1 1 65 65 ARG H H 65 7.358 7.358 7.618 -0.260 18987 4633 1 8 . 1 1 66 66 GLU N N 66 123.063 123.063 120.530 2.533 18987 4634 1 8 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.153 -0.236 18987 4635 1 8 . 1 1 66 66 GLU C C 66 178.626 178.626 178.022 0.604 18987 4636 1 8 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.958 0.492 18987 4637 1 8 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.767 -0.077 18987 4638 1 8 . 1 1 66 66 GLU H H 66 8.789 8.789 7.782 1.007 18987 4639 1 8 . 1 1 67 67 LEU N N 67 115.817 115.817 116.568 -0.751 18987 4640 1 8 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.273 -0.143 18987 4641 1 8 . 1 1 67 67 LEU C C 67 176.171 176.171 176.883 -0.712 18987 4642 1 8 . 1 1 67 67 LEU CA C 67 54.750 54.750 55.158 -0.408 18987 4643 1 8 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.741 -0.721 18987 4644 1 8 . 1 1 67 67 LEU H H 67 7.907 7.907 7.811 0.096 18987 4645 1 8 . 1 1 68 68 ASP N N 68 118.063 118.063 117.573 0.490 18987 4646 1 8 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.299 0.115 18987 4647 1 8 . 1 1 68 68 ASP C C 68 177.521 177.521 176.964 0.557 18987 4648 1 8 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.589 -0.189 18987 4649 1 8 . 1 1 68 68 ASP CB C 68 39.640 39.640 39.574 0.066 18987 4650 1 8 . 1 1 68 68 ASP H H 68 7.878 7.878 7.884 -0.006 18987 4651 1 8 . 1 1 69 69 LEU N N 69 115.724 115.724 118.817 -3.093 18987 4652 1 8 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.804 -0.365 18987 4653 1 8 . 1 1 69 69 LEU C C 69 177.584 177.584 177.948 -0.364 18987 4654 1 8 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.135 0.345 18987 4655 1 8 . 1 1 69 69 LEU CB C 69 38.700 38.700 41.391 -2.691 18987 4656 1 8 . 1 1 69 69 LEU H H 69 7.285 7.285 7.621 -0.336 18987 4657 1 8 . 1 1 70 70 LYS N N 70 119.751 119.751 118.805 0.946 18987 4658 1 8 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.628 0.333 18987 4659 1 8 . 1 1 70 70 LYS C C 70 177.903 177.903 178.119 -0.216 18987 4660 1 8 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.765 0.715 18987 4661 1 8 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.463 0.517 18987 4662 1 8 . 1 1 70 70 LYS H H 70 8.601 8.601 7.537 1.064 18987 4663 1 8 . 1 1 71 71 ASN N N 71 113.386 113.386 115.991 -2.605 18987 4664 1 8 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.422 0.304 18987 4665 1 8 . 1 1 71 71 ASN C C 71 176.808 176.808 177.002 -0.194 18987 4666 1 8 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.855 -1.485 18987 4667 1 8 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.591 1.369 18987 4668 1 8 . 1 1 71 71 ASN H H 71 6.965 6.965 7.750 -0.785 18987 4669 1 8 . 1 1 72 72 LYS N N 72 118.475 118.475 118.726 -0.251 18987 4670 1 8 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.197 -0.048 18987 4671 1 8 . 1 1 72 72 LYS C C 72 178.849 178.849 178.103 0.746 18987 4672 1 8 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.386 -0.466 18987 4673 1 8 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.917 1.113 18987 4674 1 8 . 1 1 72 72 LYS H H 72 8.113 8.113 7.511 0.602 18987 4675 1 8 . 1 1 73 73 LEU N N 73 120.458 120.458 120.833 -0.375 18987 4676 1 8 . 1 1 73 73 LEU HA H 73 3.599 3.599 3.938 -0.339 18987 4677 1 8 . 1 1 73 73 LEU C C 73 178.126 178.126 178.555 -0.429 18987 4678 1 8 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.586 1.244 18987 4679 1 8 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.701 -0.801 18987 4680 1 8 . 1 1 73 73 LEU H H 73 8.549 8.549 8.156 0.393 18987 4681 1 8 . 1 1 74 74 GLN N N 74 112.719 112.719 114.987 -2.268 18987 4682 1 8 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.154 0.024 18987 4683 1 8 . 1 1 74 74 GLN C C 74 176.883 176.883 177.280 -0.397 18987 4684 1 8 . 1 1 74 74 GLN CA C 74 57.250 57.250 57.899 -0.649 18987 4685 1 8 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.032 0.398 18987 4686 1 8 . 1 1 74 74 GLN H H 74 7.918 7.918 7.940 -0.022 18987 4687 1 8 . 1 1 75 75 THR N N 75 108.336 108.336 113.959 -5.623 18987 4688 1 8 . 1 1 75 75 THR HA H 75 4.410 4.410 4.418 -0.008 18987 4689 1 8 . 1 1 75 75 THR C C 75 174.619 174.619 174.645 -0.026 18987 4690 1 8 . 1 1 75 75 THR CA C 75 61.760 61.760 62.121 -0.361 18987 4691 1 8 . 1 1 75 75 THR CB C 75 69.950 69.950 69.990 -0.040 18987 4692 1 8 . 1 1 75 75 THR H H 75 7.620 7.620 7.516 0.104 18987 4693 1 8 . 1 1 76 76 LEU N N 76 122.754 122.754 118.896 3.858 18987 4694 1 8 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.617 -0.129 18987 4695 1 8 . 1 1 76 76 LEU C C 76 177.234 177.234 176.107 1.127 18987 4696 1 8 . 1 1 76 76 LEU CA C 76 54.190 54.190 53.393 0.797 18987 4697 1 8 . 1 1 76 76 LEU CB C 76 44.040 44.040 42.340 1.700 18987 4698 1 8 . 1 1 76 76 LEU H H 76 7.191 7.191 7.689 -0.498 18987 4699 1 8 . 1 1 77 77 SER N N 77 119.431 119.431 115.660 3.771 18987 4700 1 8 . 1 1 77 77 SER HA H 77 4.465 4.465 4.516 -0.051 18987 4701 1 8 . 1 1 77 77 SER C C 77 175.320 175.320 175.680 -0.360 18987 4702 1 8 . 1 1 77 77 SER CA C 77 57.360 57.360 57.800 -0.440 18987 4703 1 8 . 1 1 77 77 SER CB C 77 65.080 65.080 64.308 0.772 18987 4704 1 8 . 1 1 77 77 SER H H 77 9.367 9.367 8.330 1.037 18987 4705 1 8 . 1 1 78 78 ASP N N 78 122.766 122.766 123.350 -0.584 18987 4706 1 8 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.429 -0.234 18987 4707 1 8 . 1 1 78 78 ASP C C 78 178.211 178.211 177.448 0.763 18987 4708 1 8 . 1 1 78 78 ASP CA C 78 58.470 58.470 57.787 0.683 18987 4709 1 8 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.661 -1.201 18987 4710 1 8 . 1 1 78 78 ASP H H 78 9.055 9.055 8.896 0.159 18987 4711 1 8 . 1 1 79 79 ASP N N 79 117.917 117.917 119.098 -1.181 18987 4712 1 8 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.377 -0.102 18987 4713 1 8 . 1 1 79 79 ASP C C 79 179.179 179.179 178.383 0.796 18987 4714 1 8 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.920 0.080 18987 4715 1 8 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.449 -0.139 18987 4716 1 8 . 1 1 79 79 ASP H H 79 8.245 8.245 8.835 -0.590 18987 4717 1 8 . 1 1 80 80 GLU N N 80 120.229 120.229 119.376 0.853 18987 4718 1 8 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.426 -0.509 18987 4719 1 8 . 1 1 80 80 GLU C C 80 180.369 180.369 179.073 1.296 18987 4720 1 8 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.558 0.742 18987 4721 1 8 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.754 1.166 18987 4722 1 8 . 1 1 80 80 GLU H H 80 7.732 7.732 7.780 -0.048 18987 4723 1 8 . 1 1 81 81 LYS N N 81 120.163 120.163 120.593 -0.430 18987 4724 1 8 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.277 -0.431 18987 4725 1 8 . 1 1 81 81 LYS C C 81 177.956 177.956 179.171 -1.215 18987 4726 1 8 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.696 1.244 18987 4727 1 8 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.495 1.125 18987 4728 1 8 . 1 1 81 81 LYS H H 81 8.340 8.340 7.621 0.719 18987 4729 1 8 . 1 1 82 82 LEU N N 82 117.478 117.478 119.300 -1.822 18987 4730 1 8 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.614 0.059 18987 4731 1 8 . 1 1 82 82 LEU C C 82 178.870 178.870 178.867 0.003 18987 4732 1 8 . 1 1 82 82 LEU CA C 82 57.770 57.770 58.003 -0.233 18987 4733 1 8 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.552 0.198 18987 4734 1 8 . 1 1 82 82 LEU H H 82 8.161 8.161 7.983 0.178 18987 4735 1 8 . 1 1 83 83 GLU N N 83 119.824 119.824 119.365 0.459 18987 4736 1 8 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.958 -0.218 18987 4737 1 8 . 1 1 83 83 GLU C C 83 179.009 179.009 179.320 -0.311 18987 4738 1 8 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.515 -0.035 18987 4739 1 8 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.466 -0.126 18987 4740 1 8 . 1 1 83 83 GLU H H 83 7.999 7.999 7.769 0.230 18987 4741 1 8 . 1 1 84 84 LEU N N 84 119.684 119.684 119.593 0.091 18987 4742 1 8 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.986 -0.044 18987 4743 1 8 . 1 1 84 84 LEU C C 84 179.264 179.264 179.244 0.020 18987 4744 1 8 . 1 1 84 84 LEU CA C 84 58.090 58.090 57.976 0.114 18987 4745 1 8 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.876 0.434 18987 4746 1 8 . 1 1 84 84 LEU H H 84 7.470 7.470 7.728 -0.258 18987 4747 1 8 . 1 1 85 85 LEU N N 85 119.086 119.086 118.641 0.445 18987 4748 1 8 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.817 -0.433 18987 4749 1 8 . 1 1 85 85 LEU C C 85 176.064 176.064 179.197 -3.133 18987 4750 1 8 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.285 0.576 18987 4751 1 8 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.128 1.232 18987 4752 1 8 . 1 1 85 85 LEU H H 85 7.726 7.726 7.699 0.027 18987 4753 1 8 . 1 1 86 86 SER N N 86 105.708 105.708 112.934 -7.226 18987 4754 1 8 . 1 1 86 86 SER HA H 86 4.283 4.283 4.823 -0.540 18987 4755 1 8 . 1 1 86 86 SER C C 86 176.351 176.351 175.927 0.424 18987 4756 1 8 . 1 1 86 86 SER CA C 86 60.380 60.380 60.293 0.087 18987 4757 1 8 . 1 1 86 86 SER CB C 86 64.400 64.400 63.442 0.958 18987 4758 1 8 . 1 1 86 86 SER H H 86 7.617 7.617 8.039 -0.422 18987 4759 1 8 . 1 1 87 87 SER N N 87 115.392 115.392 116.872 -1.480 18987 4760 1 8 . 1 1 87 87 SER HA H 87 4.345 4.345 4.433 -0.088 18987 4761 1 8 . 1 1 87 87 SER C C 87 174.534 174.534 174.489 0.045 18987 4762 1 8 . 1 1 87 87 SER CA C 87 59.820 59.820 60.877 -1.057 18987 4763 1 8 . 1 1 87 87 SER CB C 87 64.340 64.340 64.061 0.279 18987 4764 1 8 . 1 1 87 87 SER H H 87 7.644 7.644 7.807 -0.163 18987 4765 1 8 . 1 1 88 88 ASP N N 88 120.295 120.295 120.737 -0.442 18987 4766 1 8 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.822 -0.218 18987 4767 1 8 . 1 1 88 88 ASP C C 88 175.618 175.618 175.973 -0.355 18987 4768 1 8 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.937 0.073 18987 4769 1 8 . 1 1 88 88 ASP CB C 88 41.020 41.020 42.821 -1.801 18987 4770 1 8 . 1 1 88 88 ASP H H 88 7.104 7.104 7.679 -0.575 18987 4771 1 8 . 1 1 89 89 GLY N N 89 111.841 111.841 110.857 0.984 18987 4772 1 8 . 1 1 89 89 GLY C C 89 176.171 176.171 174.770 1.401 18987 4773 1 8 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.691 0.989 18987 4774 1 8 . 1 1 89 89 GLY H H 89 9.325 9.325 8.556 0.769 18987 4775 1 8 . 1 1 90 90 MET N N 90 117.877 117.877 116.999 0.878 18987 4776 1 8 . 1 1 90 90 MET HA H 90 4.075 4.075 4.359 -0.284 18987 4777 1 8 . 1 1 90 90 MET C C 90 178.456 178.456 178.243 0.213 18987 4778 1 8 . 1 1 90 90 MET CA C 90 56.400 56.400 56.396 0.004 18987 4779 1 8 . 1 1 90 90 MET CB C 90 30.540 30.540 31.712 -1.172 18987 4780 1 8 . 1 1 90 90 MET H H 90 8.593 8.593 7.778 0.815 18987 4781 1 8 . 1 1 91 91 LEU N N 91 118.027 118.027 119.220 -1.193 18987 4782 1 8 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.219 0.060 18987 4783 1 8 . 1 1 91 91 LEU C C 91 176.298 176.298 176.577 -0.279 18987 4784 1 8 . 1 1 91 91 LEU CA C 91 55.460 55.460 56.526 -1.066 18987 4785 1 8 . 1 1 91 91 LEU CB C 91 43.130 43.130 42.069 1.061 18987 4786 1 8 . 1 1 91 91 LEU H H 91 8.224 8.224 7.280 0.944 18987 4787 1 8 . 1 1 92 92 VAL N N 92 120.960 120.960 116.754 4.206 18987 4788 1 8 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.128 -0.127 18987 4789 1 8 . 1 1 92 92 VAL C C 92 175.990 175.990 175.951 0.039 18987 4790 1 8 . 1 1 92 92 VAL CA C 92 61.150 61.150 61.869 -0.719 18987 4791 1 8 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.512 -0.242 18987 4792 1 8 . 1 1 92 92 VAL H H 92 7.093 7.093 7.138 -0.045 18987 4793 1 8 . 1 1 93 93 LYS N N 93 130.687 130.687 126.348 4.339 18987 4794 1 8 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.201 -0.495 18987 4795 1 8 . 1 1 93 93 LYS C C 93 171.855 171.855 176.999 -5.144 18987 4796 1 8 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.975 0.945 18987 4797 1 8 . 1 1 93 93 LYS CB C 93 32.800 32.800 32.442 0.358 18987 4798 1 8 . 1 1 93 93 LYS H H 93 8.442 8.442 8.128 0.314 18987 4799 1 8 . 1 1 94 94 ARG N N 94 115.791 115.791 122.989 -7.198 18987 4800 1 8 . 1 1 94 94 ARG H H 94 7.676 7.676 8.487 -0.811 18987 4801 1 8 . 1 1 95 95 PRO C C 95 175.108 175.108 175.358 -0.250 18987 4802 1 8 . 1 1 96 96 LEU N N 96 128.494 128.494 125.970 2.524 18987 4803 1 8 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.530 -0.549 18987 4804 1 8 . 1 1 96 96 LEU C C 96 173.216 173.216 174.325 -1.109 18987 4805 1 8 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.441 1.429 18987 4806 1 8 . 1 1 96 96 LEU CB C 96 43.660 43.660 46.958 -3.297 18987 4807 1 8 . 1 1 96 96 LEU H H 96 8.246 8.246 8.399 -0.153 18987 4808 1 8 . 1 1 97 97 ALA N N 97 131.035 131.035 126.076 4.959 18987 4809 1 8 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.522 0.348 18987 4810 1 8 . 1 1 97 97 ALA C C 97 174.938 174.938 174.822 0.116 18987 4811 1 8 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.260 -1.409 18987 4812 1 8 . 1 1 97 97 ALA CB C 97 20.070 20.070 22.820 -2.750 18987 4813 1 8 . 1 1 97 97 ALA H H 97 8.839 8.839 8.935 -0.096 18987 4814 1 8 . 1 1 98 98 VAL N N 98 119.830 119.830 123.659 -3.829 18987 4815 1 8 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.346 0.210 18987 4816 1 8 . 1 1 98 98 VAL C C 98 173.896 173.896 173.476 0.420 18987 4817 1 8 . 1 1 98 98 VAL CA C 98 59.270 59.270 60.526 -1.256 18987 4818 1 8 . 1 1 98 98 VAL CB C 98 35.970 35.970 36.584 -0.614 18987 4819 1 8 . 1 1 98 98 VAL H H 98 8.824 8.824 8.681 0.143 18987 4820 1 8 . 1 1 99 99 MET N N 99 127.537 127.537 123.309 4.228 18987 4821 1 8 . 1 1 99 99 MET HA H 99 4.430 4.430 5.029 -0.599 18987 4822 1 8 . 1 1 99 99 MET CA C 99 56.710 56.710 54.096 2.614 18987 4823 1 8 . 1 1 99 99 MET CB C 99 31.050 31.050 35.878 -4.828 18987 4824 1 8 . 1 1 99 99 MET H H 99 8.873 8.873 8.839 0.034 18987 4825 1 8 . 1 1 100 100 GLY C C 100 173.024 173.024 174.602 -1.578 18987 4826 1 8 . 1 1 100 100 GLY CA C 100 47.970 47.970 46.527 1.443 18987 4827 1 8 . 1 1 101 101 ASP N N 101 124.308 124.308 118.018 6.290 18987 4828 1 8 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.796 -0.597 18987 4829 1 8 . 1 1 101 101 ASP C C 101 175.172 175.172 175.756 -0.584 18987 4830 1 8 . 1 1 101 101 ASP CA C 101 53.310 53.310 53.951 -0.641 18987 4831 1 8 . 1 1 101 101 ASP CB C 101 40.170 40.170 41.090 -0.920 18987 4832 1 8 . 1 1 101 101 ASP H H 101 8.257 8.257 8.466 -0.209 18987 4833 1 8 . 1 1 102 102 LYS N N 102 121.002 121.002 119.458 1.544 18987 4834 1 8 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.483 -0.077 18987 4835 1 8 . 1 1 102 102 LYS C C 102 174.257 174.257 174.331 -0.074 18987 4836 1 8 . 1 1 102 102 LYS CA C 102 55.370 55.370 55.061 0.309 18987 4837 1 8 . 1 1 102 102 LYS CB C 102 36.230 36.230 33.439 2.791 18987 4838 1 8 . 1 1 102 102 LYS H H 102 8.108 8.108 7.729 0.379 18987 4839 1 8 . 1 1 103 103 ILE N N 103 118.488 118.488 121.394 -2.906 18987 4840 1 8 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.234 0.625 18987 4841 1 8 . 1 1 103 103 ILE C C 103 173.652 173.652 174.194 -0.542 18987 4842 1 8 . 1 1 103 103 ILE CA C 103 58.620 58.620 59.996 -1.376 18987 4843 1 8 . 1 1 103 103 ILE CB C 103 42.250 42.250 42.137 0.113 18987 4844 1 8 . 1 1 103 103 ILE H H 103 8.038 8.038 8.159 -0.121 18987 4845 1 8 . 1 1 104 104 THR N N 104 115.441 115.441 117.696 -2.255 18987 4846 1 8 . 1 1 104 104 THR HA H 104 4.524 4.524 4.682 -0.158 18987 4847 1 8 . 1 1 104 104 THR C C 104 173.503 173.503 172.450 1.053 18987 4848 1 8 . 1 1 104 104 THR CA C 104 60.660 60.660 60.818 -0.158 18987 4849 1 8 . 1 1 104 104 THR CB C 104 72.460 72.460 71.630 0.830 18987 4850 1 8 . 1 1 104 104 THR H H 104 9.360 9.360 9.239 0.121 18987 4851 1 8 . 1 1 105 105 LEU N N 105 123.352 123.352 126.365 -3.013 18987 4852 1 8 . 1 1 105 105 LEU HA H 105 5.023 5.023 4.970 0.053 18987 4853 1 8 . 1 1 105 105 LEU C C 105 178.860 178.860 177.957 0.903 18987 4854 1 8 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.495 -1.455 18987 4855 1 8 . 1 1 105 105 LEU CB C 105 44.290 44.290 44.703 -0.413 18987 4856 1 8 . 1 1 105 105 LEU H H 105 8.857 8.857 8.453 0.404 18987 4857 1 8 . 1 1 106 106 GLY N N 106 108.363 108.363 112.068 -3.705 18987 4858 1 8 . 1 1 106 106 GLY C C 106 172.100 172.100 173.936 -1.836 18987 4859 1 8 . 1 1 106 106 GLY CA C 106 44.870 44.870 44.679 0.191 18987 4860 1 8 . 1 1 106 106 GLY H H 106 8.241 8.241 8.580 -0.339 18987 4861 1 8 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.602 0.086 18987 4862 1 8 . 1 1 107 107 PHE CA C 107 58.000 58.000 57.414 0.586 18987 4863 1 8 . 1 1 107 107 PHE CB C 107 41.620 41.620 38.739 2.881 18987 4864 1 8 . 1 1 108 108 LYS N N 108 129.677 129.677 128.432 1.245 18987 4865 1 8 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.142 -0.240 18987 4866 1 8 . 1 1 108 108 LYS CA C 108 54.650 54.650 53.993 0.657 18987 4867 1 8 . 1 1 108 108 LYS CB C 108 34.130 34.130 31.474 2.656 18987 4868 1 8 . 1 1 108 108 LYS H H 108 7.351 7.351 7.122 0.229 18987 4869 1 8 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.196 -0.236 18987 4870 1 8 . 1 1 109 109 GLU C C 109 177.255 177.255 176.663 0.592 18987 4871 1 8 . 1 1 109 109 GLU CA C 109 60.840 60.840 60.144 0.696 18987 4872 1 8 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.274 0.026 18987 4873 1 8 . 1 1 110 110 ASP N N 110 115.831 115.831 118.236 -2.405 18987 4874 1 8 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.262 -0.105 18987 4875 1 8 . 1 1 110 110 ASP C C 110 178.456 178.456 178.352 0.104 18987 4876 1 8 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.920 -1.010 18987 4877 1 8 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.232 -1.022 18987 4878 1 8 . 1 1 110 110 ASP H H 110 8.654 8.654 8.359 0.295 18987 4879 1 8 . 1 1 111 111 GLN N N 111 119.458 119.458 116.694 2.764 18987 4880 1 8 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.949 0.132 18987 4881 1 8 . 1 1 111 111 GLN C C 111 179.189 179.189 178.361 0.828 18987 4882 1 8 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.226 -0.086 18987 4883 1 8 . 1 1 111 111 GLN CB C 111 28.850 28.850 28.026 0.824 18987 4884 1 8 . 1 1 111 111 GLN H H 111 6.993 6.993 8.285 -1.292 18987 4885 1 8 . 1 1 112 112 TYR N N 112 124.973 124.973 119.587 5.386 18987 4886 1 8 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.186 -0.259 18987 4887 1 8 . 1 1 112 112 TYR C C 112 178.254 178.254 177.898 0.356 18987 4888 1 8 . 1 1 112 112 TYR CA C 112 62.690 62.690 59.947 2.744 18987 4889 1 8 . 1 1 112 112 TYR CB C 112 36.660 36.660 37.677 -1.017 18987 4890 1 8 . 1 1 112 112 TYR H H 112 8.289 8.289 8.013 0.276 18987 4891 1 8 . 1 1 113 113 LYS N N 113 118.329 118.329 118.647 -0.318 18987 4892 1 8 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.104 -0.191 18987 4893 1 8 . 1 1 113 113 LYS C C 113 178.296 178.296 178.483 -0.187 18987 4894 1 8 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.246 1.834 18987 4895 1 8 . 1 1 113 113 LYS CB C 113 32.810 32.810 31.635 1.175 18987 4896 1 8 . 1 1 113 113 LYS H H 113 8.310 8.310 7.931 0.379 18987 4897 1 8 . 1 1 114 114 GLU N N 114 115.605 115.605 118.522 -2.917 18987 4898 1 8 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.215 -0.319 18987 4899 1 8 . 1 1 114 114 GLU C C 114 177.308 177.308 178.108 -0.800 18987 4900 1 8 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.520 -0.210 18987 4901 1 8 . 1 1 114 114 GLU CB C 114 30.140 30.140 29.527 0.613 18987 4902 1 8 . 1 1 114 114 GLU H H 114 7.603 7.603 7.832 -0.229 18987 4903 1 8 . 1 1 115 115 THR N N 115 112.256 112.256 113.487 -1.231 18987 4904 1 8 . 1 1 115 115 THR HA H 115 3.666 3.666 4.119 -0.453 18987 4905 1 8 . 1 1 115 115 THR C C 115 174.672 174.672 175.431 -0.759 18987 4906 1 8 . 1 1 115 115 THR CA C 115 65.710 65.710 65.107 0.603 18987 4907 1 8 . 1 1 115 115 THR CB C 115 68.700 68.700 69.124 -0.424 18987 4908 1 8 . 1 1 115 115 THR H H 115 7.591 7.591 7.848 -0.257 18987 4909 1 8 . 1 1 116 116 TRP N N 116 116.495 116.495 120.093 -3.598 18987 4910 1 8 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.626 0.677 18987 4911 1 8 . 1 1 116 116 TRP C C 116 176.553 176.553 176.898 -0.345 18987 4912 1 8 . 1 1 116 116 TRP CA C 116 55.620 55.620 58.367 -2.747 18987 4913 1 8 . 1 1 116 116 TRP CB C 116 31.430 31.430 29.940 1.490 18987 4914 1 8 . 1 1 116 116 TRP H H 116 7.661 7.661 7.394 0.267 18987 4915 1 8 . 1 1 117 117 LEU N N 117 116.588 116.588 117.259 -0.671 18987 4916 1 8 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.438 0.164 18987 4917 1 8 . 1 1 117 117 LEU C C 117 175.788 175.788 176.427 -0.639 18987 4918 1 8 . 1 1 117 117 LEU CA C 117 53.860 53.860 54.210 -0.350 18987 4919 1 8 . 1 1 117 117 LEU CB C 117 40.880 40.880 42.925 -2.045 18987 4920 1 8 . 1 1 117 117 LEU H H 117 6.922 6.922 7.523 -0.601 18987 4921 1 9 . 1 1 2 2 ILE N N 2 124.348 124.348 122.098 2.250 18987 4922 1 9 . 1 1 2 2 ILE HA H 2 3.576 3.576 4.049 -0.473 18987 4923 1 9 . 1 1 2 2 ILE C C 2 175.884 175.884 176.200 -0.316 18987 4924 1 9 . 1 1 2 2 ILE CA C 2 62.790 62.790 61.807 0.983 18987 4925 1 9 . 1 1 2 2 ILE CB C 2 40.400 40.400 37.705 2.695 18987 4926 1 9 . 1 1 2 2 ILE H H 2 7.539 7.539 8.335 -0.796 18987 4927 1 9 . 1 1 3 3 LYS N N 3 128.600 128.600 128.446 0.154 18987 4928 1 9 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.249 0.086 18987 4929 1 9 . 1 1 3 3 LYS C C 3 173.322 173.322 175.898 -2.576 18987 4930 1 9 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.774 1.856 18987 4931 1 9 . 1 1 3 3 LYS CB C 3 32.800 32.800 30.485 2.315 18987 4932 1 9 . 1 1 3 3 LYS H H 3 8.524 8.524 8.594 -0.070 18987 4933 1 9 . 1 1 4 4 PHE N N 4 128.560 128.560 127.404 1.156 18987 4934 1 9 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.817 0.018 18987 4935 1 9 . 1 1 4 4 PHE C C 4 172.546 172.546 174.211 -1.665 18987 4936 1 9 . 1 1 4 4 PHE CA C 4 56.570 56.570 55.953 0.617 18987 4937 1 9 . 1 1 4 4 PHE CB C 4 42.600 42.600 38.822 3.778 18987 4938 1 9 . 1 1 4 4 PHE H H 4 8.412 8.412 8.114 0.298 18987 4939 1 9 . 1 1 5 5 TYR N N 5 125.785 125.785 127.435 -1.650 18987 4940 1 9 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.026 0.100 18987 4941 1 9 . 1 1 5 5 TYR C C 5 175.852 175.852 175.250 0.602 18987 4942 1 9 . 1 1 5 5 TYR CA C 5 57.980 57.980 58.755 -0.775 18987 4943 1 9 . 1 1 5 5 TYR CB C 5 38.550 38.550 38.984 -0.434 18987 4944 1 9 . 1 1 5 5 TYR H H 5 9.313 9.313 8.462 0.851 18987 4945 1 9 . 1 1 6 6 GLN N N 6 117.436 117.436 119.735 -2.299 18987 4946 1 9 . 1 1 6 6 GLN HA H 6 4.622 4.622 4.877 -0.255 18987 4947 1 9 . 1 1 6 6 GLN C C 6 171.951 171.951 173.774 -1.823 18987 4948 1 9 . 1 1 6 6 GLN CA C 6 53.430 53.430 54.105 -0.675 18987 4949 1 9 . 1 1 6 6 GLN CB C 6 30.490 30.490 32.283 -1.793 18987 4950 1 9 . 1 1 6 6 GLN H H 6 9.110 9.110 8.978 0.132 18987 4951 1 9 . 1 1 7 7 TYR N N 7 116.309 116.309 120.462 -4.153 18987 4952 1 9 . 1 1 7 7 TYR HA H 7 4.953 4.953 4.537 0.416 18987 4953 1 9 . 1 1 7 7 TYR CA C 7 56.130 56.130 59.320 -3.190 18987 4954 1 9 . 1 1 7 7 TYR CB C 7 42.860 42.860 40.894 1.966 18987 4955 1 9 . 1 1 7 7 TYR H H 7 7.075 7.075 8.542 -1.467 18987 4956 1 9 . 1 1 12 12 THR HA H 12 3.868 3.868 4.106 -0.238 18987 4957 1 9 . 1 1 12 12 THR C C 12 176.203 176.203 176.652 -0.449 18987 4958 1 9 . 1 1 12 12 THR CA C 12 65.930 65.930 65.956 -0.026 18987 4959 1 9 . 1 1 12 12 THR CB C 12 68.630 68.630 68.639 -0.009 18987 4960 1 9 . 1 1 13 13 CYS N N 13 116.721 116.721 121.012 -4.291 18987 4961 1 9 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.313 -0.082 18987 4962 1 9 . 1 1 13 13 CYS C C 13 174.938 174.938 176.509 -1.571 18987 4963 1 9 . 1 1 13 13 CYS CA C 13 63.790 63.790 61.880 1.911 18987 4964 1 9 . 1 1 13 13 CYS CB C 13 33.590 33.590 26.747 6.843 18987 4965 1 9 . 1 1 13 13 CYS H H 13 8.441 8.441 7.984 0.457 18987 4966 1 9 . 1 1 14 14 LYS N N 14 119.429 119.429 119.488 -0.059 18987 4967 1 9 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.040 -0.003 18987 4968 1 9 . 1 1 14 14 LYS C C 14 179.370 179.370 179.285 0.085 18987 4969 1 9 . 1 1 14 14 LYS CA C 14 59.150 59.150 58.866 0.284 18987 4970 1 9 . 1 1 14 14 LYS CB C 14 32.270 32.270 31.756 0.514 18987 4971 1 9 . 1 1 14 14 LYS H H 14 7.805 7.805 8.100 -0.295 18987 4972 1 9 . 1 1 15 15 LYS N N 15 119.379 119.379 119.142 0.237 18987 4973 1 9 . 1 1 15 15 LYS HA H 15 3.677 3.677 3.725 -0.048 18987 4974 1 9 . 1 1 15 15 LYS C C 15 177.999 177.999 178.282 -0.283 18987 4975 1 9 . 1 1 15 15 LYS CA C 15 59.270 59.270 58.652 0.618 18987 4976 1 9 . 1 1 15 15 LYS CB C 15 32.630 32.630 31.527 1.103 18987 4977 1 9 . 1 1 15 15 LYS H H 15 7.612 7.612 7.909 -0.297 18987 4978 1 9 . 1 1 16 16 ALA N N 16 122.940 122.940 120.809 2.131 18987 4979 1 9 . 1 1 16 16 ALA HA H 16 2.906 2.906 3.733 -0.827 18987 4980 1 9 . 1 1 16 16 ALA C C 16 177.999 177.999 179.204 -1.205 18987 4981 1 9 . 1 1 16 16 ALA CA C 16 54.370 54.370 54.710 -0.340 18987 4982 1 9 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.094 1.176 18987 4983 1 9 . 1 1 16 16 ALA H H 16 7.346 7.346 7.621 -0.275 18987 4984 1 9 . 1 1 17 17 ALA N N 17 120.093 120.093 120.162 -0.069 18987 4985 1 9 . 1 1 17 17 ALA HA H 17 2.965 2.965 2.749 0.216 18987 4986 1 9 . 1 1 17 17 ALA C C 17 178.466 178.466 178.883 -0.417 18987 4987 1 9 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.547 0.323 18987 4988 1 9 . 1 1 17 17 ALA CB C 17 17.270 17.270 17.993 -0.723 18987 4989 1 9 . 1 1 17 17 ALA H H 17 7.959 7.959 7.700 0.259 18987 4990 1 9 . 1 1 18 18 LYS N N 18 115.894 115.894 119.764 -3.870 18987 4991 1 9 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.024 -0.059 18987 4992 1 9 . 1 1 18 18 LYS C C 18 178.647 178.647 178.357 0.290 18987 4993 1 9 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.751 0.159 18987 4994 1 9 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.007 0.173 18987 4995 1 9 . 1 1 18 18 LYS H H 18 7.565 7.565 7.647 -0.082 18987 4996 1 9 . 1 1 19 19 PHE N N 19 120.854 120.854 119.855 0.999 18987 4997 1 9 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.296 -0.057 18987 4998 1 9 . 1 1 19 19 PHE C C 19 176.925 176.925 177.666 -0.741 18987 4999 1 9 . 1 1 19 19 PHE CA C 19 61.730 61.730 61.355 0.375 18987 5000 1 9 . 1 1 19 19 PHE CB C 19 39.140 39.140 39.106 0.034 18987 5001 1 9 . 1 1 19 19 PHE H H 19 7.496 7.496 7.765 -0.269 18987 5002 1 9 . 1 1 20 20 LEU N N 20 118.913 118.913 119.103 -0.190 18987 5003 1 9 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.679 0.219 18987 5004 1 9 . 1 1 20 20 LEU C C 20 179.657 179.657 178.655 1.002 18987 5005 1 9 . 1 1 20 20 LEU CA C 20 58.330 58.330 58.178 0.152 18987 5006 1 9 . 1 1 20 20 LEU CB C 20 40.460 40.460 41.238 -0.778 18987 5007 1 9 . 1 1 20 20 LEU H H 20 8.012 8.012 7.893 0.119 18987 5008 1 9 . 1 1 21 21 ASP N N 21 118.448 118.448 118.490 -0.042 18987 5009 1 9 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.412 0.044 18987 5010 1 9 . 1 1 21 21 ASP C C 21 180.358 180.358 178.513 1.845 18987 5011 1 9 . 1 1 21 21 ASP CA C 21 57.680 57.680 57.224 0.456 18987 5012 1 9 . 1 1 21 21 ASP CB C 21 40.520 40.520 41.169 -0.649 18987 5013 1 9 . 1 1 21 21 ASP H H 21 8.814 8.814 7.905 0.909 18987 5014 1 9 . 1 1 22 22 GLU N N 22 122.661 122.661 118.830 3.831 18987 5015 1 9 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.059 -0.317 18987 5016 1 9 . 1 1 22 22 GLU C C 22 178.371 178.371 178.444 -0.073 18987 5017 1 9 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.948 0.292 18987 5018 1 9 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.829 -1.049 18987 5019 1 9 . 1 1 22 22 GLU H H 22 8.544 8.544 7.975 0.569 18987 5020 1 9 . 1 1 23 23 TYR N N 23 114.768 114.768 116.303 -1.535 18987 5021 1 9 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.356 -0.106 18987 5022 1 9 . 1 1 23 23 TYR C C 23 175.724 175.724 175.829 -0.105 18987 5023 1 9 . 1 1 23 23 TYR CA C 23 59.070 59.070 58.498 0.572 18987 5024 1 9 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.464 0.556 18987 5025 1 9 . 1 1 23 23 TYR H H 23 7.522 7.522 7.868 -0.346 18987 5026 1 9 . 1 1 24 24 GLY N N 24 110.449 110.449 107.332 3.117 18987 5027 1 9 . 1 1 24 24 GLY C C 24 174.534 174.534 174.397 0.137 18987 5028 1 9 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.056 2.064 18987 5029 1 9 . 1 1 24 24 GLY H H 24 7.792 7.792 7.492 0.300 18987 5030 1 9 . 1 1 25 25 VAL N N 25 122.714 122.714 121.739 0.975 18987 5031 1 9 . 1 1 25 25 VAL HA H 25 3.959 3.959 3.993 -0.034 18987 5032 1 9 . 1 1 25 25 VAL C C 25 176.266 176.266 175.678 0.588 18987 5033 1 9 . 1 1 25 25 VAL CA C 25 62.000 62.000 62.203 -0.203 18987 5034 1 9 . 1 1 25 25 VAL CB C 25 32.480 32.480 31.835 0.645 18987 5035 1 9 . 1 1 25 25 VAL H H 25 8.393 8.393 7.922 0.471 18987 5036 1 9 . 1 1 26 26 SER N N 26 123.498 123.498 123.651 -0.153 18987 5037 1 9 . 1 1 26 26 SER HA H 26 4.351 4.351 4.433 -0.082 18987 5038 1 9 . 1 1 26 26 SER C C 26 173.513 173.513 173.449 0.064 18987 5039 1 9 . 1 1 26 26 SER CA C 26 59.040 59.040 58.962 0.078 18987 5040 1 9 . 1 1 26 26 SER CB C 26 63.530 63.530 63.558 -0.028 18987 5041 1 9 . 1 1 26 26 SER H H 26 8.559 8.559 8.746 -0.187 18987 5042 1 9 . 1 1 27 27 TYR N N 27 119.756 119.756 121.358 -1.602 18987 5043 1 9 . 1 1 27 27 TYR HA H 27 4.983 4.983 5.005 -0.022 18987 5044 1 9 . 1 1 27 27 TYR C C 27 172.355 172.355 174.724 -2.369 18987 5045 1 9 . 1 1 27 27 TYR CA C 27 55.750 55.750 54.557 1.193 18987 5046 1 9 . 1 1 27 27 TYR CB C 27 40.730 40.730 40.509 0.221 18987 5047 1 9 . 1 1 27 27 TYR H H 27 7.838 7.838 8.054 -0.216 18987 5048 1 9 . 1 1 28 28 GLU N N 28 123.126 123.126 123.828 -0.702 18987 5049 1 9 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.633 0.095 18987 5050 1 9 . 1 1 28 28 GLU CA C 28 51.420 51.420 52.800 -1.380 18987 5051 1 9 . 1 1 28 28 GLU CB C 28 31.790 31.790 30.629 1.161 18987 5052 1 9 . 1 1 28 28 GLU H H 28 9.006 9.006 9.051 -0.045 18987 5053 1 9 . 1 1 29 29 PRO HA H 29 5.619 5.619 5.017 0.602 18987 5054 1 9 . 1 1 29 29 PRO C C 29 177.276 177.276 176.084 1.192 18987 5055 1 9 . 1 1 29 29 PRO CA C 29 61.820 61.820 62.588 -0.768 18987 5056 1 9 . 1 1 29 29 PRO CB C 29 31.890 31.890 31.129 0.761 18987 5057 1 9 . 1 1 30 30 ILE N N 30 127.043 127.043 119.531 7.512 18987 5058 1 9 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.356 -0.252 18987 5059 1 9 . 1 1 30 30 ILE C C 30 174.948 174.948 174.374 0.574 18987 5060 1 9 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.784 1.576 18987 5061 1 9 . 1 1 30 30 ILE CB C 30 42.210 42.210 40.079 2.131 18987 5062 1 9 . 1 1 30 30 ILE H H 30 9.148 9.148 8.210 0.938 18987 5063 1 9 . 1 1 31 31 ASP N N 31 128.946 128.946 123.478 5.468 18987 5064 1 9 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.447 -0.555 18987 5065 1 9 . 1 1 31 31 ASP C C 31 176.373 176.373 177.369 -0.996 18987 5066 1 9 . 1 1 31 31 ASP CA C 31 54.600 54.600 55.535 -0.935 18987 5067 1 9 . 1 1 31 31 ASP CB C 31 42.920 42.920 41.755 1.165 18987 5068 1 9 . 1 1 31 31 ASP H H 31 9.092 9.092 8.790 0.302 18987 5069 1 9 . 1 1 32 32 ILE N N 32 127.576 127.576 127.379 0.197 18987 5070 1 9 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.209 -0.117 18987 5071 1 9 . 1 1 32 32 ILE C C 32 174.013 174.013 176.463 -2.450 18987 5072 1 9 . 1 1 32 32 ILE CA C 32 62.520 62.520 63.171 -0.651 18987 5073 1 9 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.747 2.003 18987 5074 1 9 . 1 1 32 32 ILE H H 32 9.362 9.362 8.676 0.686 18987 5075 1 9 . 1 1 33 33 VAL N N 33 123.498 123.498 118.542 4.956 18987 5076 1 9 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.912 -0.269 18987 5077 1 9 . 1 1 33 33 VAL C C 33 176.819 176.819 177.293 -0.474 18987 5078 1 9 . 1 1 33 33 VAL CA C 33 65.050 65.050 63.891 1.159 18987 5079 1 9 . 1 1 33 33 VAL CB C 33 31.970 31.970 31.601 0.369 18987 5080 1 9 . 1 1 33 33 VAL H H 33 8.445 8.445 8.008 0.437 18987 5081 1 9 . 1 1 34 34 GLN N N 34 119.897 119.897 118.726 1.171 18987 5082 1 9 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.062 -0.109 18987 5083 1 9 . 1 1 34 34 GLN C C 34 176.734 176.734 176.108 0.626 18987 5084 1 9 . 1 1 34 34 GLN CA C 34 57.540 57.540 57.756 -0.216 18987 5085 1 9 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.070 0.790 18987 5086 1 9 . 1 1 34 34 GLN H H 34 8.650 8.650 8.395 0.255 18987 5087 1 9 . 1 1 35 35 HIS N N 35 118.090 118.090 118.136 -0.046 18987 5088 1 9 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.911 0.053 18987 5089 1 9 . 1 1 35 35 HIS C C 35 173.758 173.758 173.965 -0.207 18987 5090 1 9 . 1 1 35 35 HIS CA C 35 53.660 53.660 54.272 -0.612 18987 5091 1 9 . 1 1 35 35 HIS CB C 35 29.190 29.190 30.083 -0.893 18987 5092 1 9 . 1 1 35 35 HIS H H 35 8.178 8.178 7.721 0.457 18987 5093 1 9 . 1 1 36 36 THR N N 36 118.794 118.794 119.512 -0.718 18987 5094 1 9 . 1 1 36 36 THR HA H 36 4.142 4.142 4.674 -0.532 18987 5095 1 9 . 1 1 36 36 THR CA C 36 62.080 62.080 61.238 0.842 18987 5096 1 9 . 1 1 36 36 THR CB C 36 70.180 70.180 68.973 1.207 18987 5097 1 9 . 1 1 36 36 THR H H 36 7.468 7.468 7.941 -0.473 18987 5098 1 9 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.248 0.027 18987 5099 1 9 . 1 1 37 37 PRO C C 37 174.970 174.970 176.679 -1.709 18987 5100 1 9 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.697 0.273 18987 5101 1 9 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.699 -2.269 18987 5102 1 9 . 1 1 38 38 THR N N 38 111.512 111.512 113.565 -2.053 18987 5103 1 9 . 1 1 38 38 THR HA H 38 4.298 4.298 4.531 -0.233 18987 5104 1 9 . 1 1 38 38 THR C C 38 175.756 175.756 176.621 -0.865 18987 5105 1 9 . 1 1 38 38 THR CA C 38 60.700 60.700 60.525 0.175 18987 5106 1 9 . 1 1 38 38 THR CB C 38 71.560 71.560 70.728 0.832 18987 5107 1 9 . 1 1 38 38 THR H H 38 8.220 8.220 8.234 -0.014 18987 5108 1 9 . 1 1 39 39 ILE N N 39 119.950 119.950 119.671 0.279 18987 5109 1 9 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.818 -0.141 18987 5110 1 9 . 1 1 39 39 ILE C C 39 177.871 177.871 177.904 -0.033 18987 5111 1 9 . 1 1 39 39 ILE CA C 39 67.100 67.100 64.993 2.107 18987 5112 1 9 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.611 0.529 18987 5113 1 9 . 1 1 39 39 ILE H H 39 8.763 8.763 8.695 0.068 18987 5114 1 9 . 1 1 40 40 ASN N N 40 116.189 116.189 118.503 -2.314 18987 5115 1 9 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.517 -0.168 18987 5116 1 9 . 1 1 40 40 ASN C C 40 178.445 178.445 177.775 0.670 18987 5117 1 9 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.054 0.276 18987 5118 1 9 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.937 0.003 18987 5119 1 9 . 1 1 40 40 ASN H H 40 8.180 8.180 7.861 0.319 18987 5120 1 9 . 1 1 41 41 GLU N N 41 121.970 121.970 121.135 0.835 18987 5121 1 9 . 1 1 41 41 GLU HA H 41 3.915 3.915 4.073 -0.158 18987 5122 1 9 . 1 1 41 41 GLU C C 41 180.093 180.093 179.019 1.074 18987 5123 1 9 . 1 1 41 41 GLU CA C 41 59.590 59.590 59.481 0.109 18987 5124 1 9 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.110 0.640 18987 5125 1 9 . 1 1 41 41 GLU H H 41 7.782 7.782 7.604 0.178 18987 5126 1 9 . 1 1 42 42 PHE N N 42 118.929 118.929 119.022 -0.093 18987 5127 1 9 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.126 0.044 18987 5128 1 9 . 1 1 42 42 PHE C C 42 178.488 178.488 177.384 1.104 18987 5129 1 9 . 1 1 42 42 PHE CA C 42 63.020 63.020 61.874 1.146 18987 5130 1 9 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.880 0.350 18987 5131 1 9 . 1 1 42 42 PHE H H 42 8.776 8.776 8.183 0.593 18987 5132 1 9 . 1 1 43 43 LYS N N 43 118.820 118.820 118.106 0.714 18987 5133 1 9 . 1 1 43 43 LYS HA H 43 3.795 3.795 3.980 -0.185 18987 5134 1 9 . 1 1 43 43 LYS C C 43 179.816 179.816 178.870 0.946 18987 5135 1 9 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.747 1.403 18987 5136 1 9 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.839 0.401 18987 5137 1 9 . 1 1 43 43 LYS H H 43 8.775 8.775 8.155 0.620 18987 5138 1 9 . 1 1 44 44 THR N N 44 118.754 118.754 117.812 0.942 18987 5139 1 9 . 1 1 44 44 THR HA H 44 3.894 3.894 4.041 -0.147 18987 5140 1 9 . 1 1 44 44 THR C C 44 175.214 175.214 176.508 -1.294 18987 5141 1 9 . 1 1 44 44 THR CA C 44 66.900 66.900 66.874 0.026 18987 5142 1 9 . 1 1 44 44 THR CB C 44 68.920 68.920 68.907 0.013 18987 5143 1 9 . 1 1 44 44 THR H H 44 7.959 7.959 7.993 -0.034 18987 5144 1 9 . 1 1 45 45 ILE N N 45 122.671 122.671 119.437 3.234 18987 5145 1 9 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.835 -0.028 18987 5146 1 9 . 1 1 45 45 ILE C C 45 180.273 180.273 177.691 2.582 18987 5147 1 9 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.855 1.195 18987 5148 1 9 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.404 1.347 18987 5149 1 9 . 1 1 45 45 ILE H H 45 8.100 8.100 7.782 0.318 18987 5150 1 9 . 1 1 46 46 ILE N N 46 123.392 123.392 121.158 2.234 18987 5151 1 9 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.887 -0.362 18987 5152 1 9 . 1 1 46 46 ILE C C 46 178.509 178.509 177.461 1.048 18987 5153 1 9 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.859 0.951 18987 5154 1 9 . 1 1 46 46 ILE CB C 46 38.110 38.110 38.012 0.098 18987 5155 1 9 . 1 1 46 46 ILE H H 46 8.778 8.778 8.040 0.738 18987 5156 1 9 . 1 1 47 47 ALA N N 47 123.336 123.336 121.013 2.323 18987 5157 1 9 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.119 -0.071 18987 5158 1 9 . 1 1 47 47 ALA C C 47 180.114 180.114 179.097 1.017 18987 5159 1 9 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.684 0.216 18987 5160 1 9 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.374 -0.044 18987 5161 1 9 . 1 1 47 47 ALA H H 47 8.232 8.232 7.798 0.434 18987 5162 1 9 . 1 1 48 48 ASN N N 48 114.090 114.090 115.349 -1.259 18987 5163 1 9 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.591 -0.101 18987 5164 1 9 . 1 1 48 48 ASN C C 48 177.776 177.776 177.500 0.276 18987 5165 1 9 . 1 1 48 48 ASN CA C 48 55.070 55.070 55.733 -0.663 18987 5166 1 9 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.355 -0.685 18987 5167 1 9 . 1 1 48 48 ASN H H 48 8.464 8.464 8.116 0.348 18987 5168 1 9 . 1 1 49 49 THR N N 49 106.742 106.742 110.742 -4.000 18987 5169 1 9 . 1 1 49 49 THR HA H 49 4.471 4.471 4.566 -0.095 18987 5170 1 9 . 1 1 49 49 THR C C 49 176.968 176.968 176.101 0.867 18987 5171 1 9 . 1 1 49 49 THR CA C 49 62.550 62.550 63.650 -1.100 18987 5172 1 9 . 1 1 49 49 THR CB C 49 72.150 72.150 70.304 1.846 18987 5173 1 9 . 1 1 49 49 THR H H 49 8.035 8.035 8.120 -0.085 18987 5174 1 9 . 1 1 50 50 GLY N N 50 112.246 112.246 111.730 0.516 18987 5175 1 9 . 1 1 50 50 GLY C C 50 174.055 174.055 174.549 -0.494 18987 5176 1 9 . 1 1 50 50 GLY CA C 50 45.940 45.940 45.149 0.791 18987 5177 1 9 . 1 1 50 50 GLY H H 50 8.323 8.323 7.792 0.531 18987 5178 1 9 . 1 1 51 51 VAL N N 51 121.212 121.212 119.894 1.318 18987 5179 1 9 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.050 -0.175 18987 5180 1 9 . 1 1 51 51 VAL C C 51 173.120 173.120 175.829 -2.709 18987 5181 1 9 . 1 1 51 51 VAL CA C 51 61.380 61.380 62.291 -0.911 18987 5182 1 9 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.294 -1.404 18987 5183 1 9 . 1 1 51 51 VAL H H 51 7.429 7.429 7.476 -0.047 18987 5184 1 9 . 1 1 52 52 GLU N N 52 126.158 126.158 126.135 0.023 18987 5185 1 9 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.291 -0.182 18987 5186 1 9 . 1 1 52 52 GLU C C 52 178.190 178.190 177.168 1.022 18987 5187 1 9 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.855 -0.615 18987 5188 1 9 . 1 1 52 52 GLU CB C 52 30.190 30.190 29.845 0.345 18987 5189 1 9 . 1 1 52 52 GLU H H 52 7.881 7.881 8.391 -0.510 18987 5190 1 9 . 1 1 53 53 ILE N N 53 125.807 125.807 125.107 0.700 18987 5191 1 9 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.863 -0.439 18987 5192 1 9 . 1 1 53 53 ILE C C 53 177.425 177.425 176.510 0.915 18987 5193 1 9 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.500 2.280 18987 5194 1 9 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.091 -0.131 18987 5195 1 9 . 1 1 53 53 ILE H H 53 8.430 8.430 8.687 -0.257 18987 5196 1 9 . 1 1 54 54 ASN N N 54 116.588 116.588 117.813 -1.225 18987 5197 1 9 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.870 -0.414 18987 5198 1 9 . 1 1 54 54 ASN C C 54 178.807 178.807 176.303 2.504 18987 5199 1 9 . 1 1 54 54 ASN CA C 54 55.770 55.770 55.530 0.240 18987 5200 1 9 . 1 1 54 54 ASN CB C 54 37.140 37.140 37.422 -0.282 18987 5201 1 9 . 1 1 54 54 ASN H H 54 8.585 8.585 8.558 0.027 18987 5202 1 9 . 1 1 55 55 LYS N N 55 117.013 117.013 117.975 -0.962 18987 5203 1 9 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.251 -0.149 18987 5204 1 9 . 1 1 55 55 LYS C C 55 176.819 176.819 177.627 -0.808 18987 5205 1 9 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.076 -0.516 18987 5206 1 9 . 1 1 55 55 LYS CB C 55 32.180 32.180 32.072 0.108 18987 5207 1 9 . 1 1 55 55 LYS H H 55 7.661 7.661 8.103 -0.442 18987 5208 1 9 . 1 1 56 56 LEU N N 56 114.768 114.768 119.241 -4.473 18987 5209 1 9 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.234 -0.307 18987 5210 1 9 . 1 1 56 56 LEU C C 56 176.702 176.702 176.893 -0.191 18987 5211 1 9 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.500 0.420 18987 5212 1 9 . 1 1 56 56 LEU CB C 56 42.020 42.020 41.774 0.246 18987 5213 1 9 . 1 1 56 56 LEU H H 56 7.690 7.690 7.222 0.468 18987 5214 1 9 . 1 1 57 57 PHE N N 57 114.558 114.558 116.603 -2.045 18987 5215 1 9 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.772 -0.324 18987 5216 1 9 . 1 1 57 57 PHE C C 57 176.319 176.319 177.176 -0.857 18987 5217 1 9 . 1 1 57 57 PHE CA C 57 58.470 58.470 59.055 -0.585 18987 5218 1 9 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.716 0.984 18987 5219 1 9 . 1 1 57 57 PHE H H 57 7.032 7.032 7.344 -0.312 18987 5220 1 9 . 1 1 58 58 ASN N N 58 118.674 118.674 122.250 -3.576 18987 5221 1 9 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.571 -0.085 18987 5222 1 9 . 1 1 58 58 ASN CA C 58 51.540 51.540 53.842 -2.302 18987 5223 1 9 . 1 1 58 58 ASN CB C 58 36.910 36.910 37.791 -0.881 18987 5224 1 9 . 1 1 58 58 ASN H H 58 8.659 8.659 8.641 0.018 18987 5225 1 9 . 1 1 60 60 HIS HA H 60 4.562 4.562 3.610 0.952 18987 5226 1 9 . 1 1 60 60 HIS C C 60 176.309 176.309 174.936 1.373 18987 5227 1 9 . 1 1 60 60 HIS CA C 60 55.920 55.920 55.971 -0.051 18987 5228 1 9 . 1 1 60 60 HIS CB C 60 30.890 30.890 30.415 0.475 18987 5229 1 9 . 1 1 61 61 GLY N N 61 106.925 106.925 106.672 0.253 18987 5230 1 9 . 1 1 61 61 GLY CA C 61 45.180 45.180 44.146 1.034 18987 5231 1 9 . 1 1 61 61 GLY H H 61 7.284 7.284 7.399 -0.115 18987 5232 1 9 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.180 -0.132 18987 5233 1 9 . 1 1 63 63 LYS C C 63 177.435 177.435 178.650 -1.215 18987 5234 1 9 . 1 1 63 63 LYS CA C 63 58.300 58.300 58.983 -0.684 18987 5235 1 9 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.599 -1.439 18987 5236 1 9 . 1 1 64 64 TYR N N 64 119.737 119.737 120.480 -0.743 18987 5237 1 9 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.108 -0.452 18987 5238 1 9 . 1 1 64 64 TYR C C 64 178.339 178.339 176.322 2.017 18987 5239 1 9 . 1 1 64 64 TYR CA C 64 61.610 61.610 61.922 -0.312 18987 5240 1 9 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.760 0.140 18987 5241 1 9 . 1 1 64 64 TYR H H 64 7.644 7.644 8.021 -0.377 18987 5242 1 9 . 1 1 65 65 ARG N N 65 118.236 118.236 116.174 2.062 18987 5243 1 9 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.442 -0.232 18987 5244 1 9 . 1 1 65 65 ARG C C 65 179.816 179.816 177.470 2.346 18987 5245 1 9 . 1 1 65 65 ARG CA C 65 59.090 59.090 56.437 2.653 18987 5246 1 9 . 1 1 65 65 ARG CB C 65 30.160 30.160 29.913 0.247 18987 5247 1 9 . 1 1 65 65 ARG H H 65 7.358 7.358 7.558 -0.200 18987 5248 1 9 . 1 1 66 66 GLU N N 66 123.063 123.063 121.158 1.905 18987 5249 1 9 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.178 -0.261 18987 5250 1 9 . 1 1 66 66 GLU C C 66 178.626 178.626 177.924 0.702 18987 5251 1 9 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.758 0.692 18987 5252 1 9 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.604 0.086 18987 5253 1 9 . 1 1 66 66 GLU H H 66 8.789 8.789 7.748 1.041 18987 5254 1 9 . 1 1 67 67 LEU N N 67 115.817 115.817 117.138 -1.321 18987 5255 1 9 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.230 -0.100 18987 5256 1 9 . 1 1 67 67 LEU C C 67 176.171 176.171 176.881 -0.710 18987 5257 1 9 . 1 1 67 67 LEU CA C 67 54.750 54.750 55.275 -0.525 18987 5258 1 9 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.499 -0.479 18987 5259 1 9 . 1 1 67 67 LEU H H 67 7.907 7.907 7.822 0.085 18987 5260 1 9 . 1 1 68 68 ASP N N 68 118.063 118.063 117.328 0.735 18987 5261 1 9 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.342 0.072 18987 5262 1 9 . 1 1 68 68 ASP C C 68 177.521 177.521 177.067 0.454 18987 5263 1 9 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.669 -0.268 18987 5264 1 9 . 1 1 68 68 ASP CB C 68 39.640 39.640 39.550 0.090 18987 5265 1 9 . 1 1 68 68 ASP H H 68 7.878 7.878 7.955 -0.077 18987 5266 1 9 . 1 1 69 69 LEU N N 69 115.724 115.724 118.808 -3.084 18987 5267 1 9 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.689 -0.250 18987 5268 1 9 . 1 1 69 69 LEU C C 69 177.584 177.584 177.827 -0.243 18987 5269 1 9 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.214 0.266 18987 5270 1 9 . 1 1 69 69 LEU CB C 69 38.700 38.700 41.023 -2.323 18987 5271 1 9 . 1 1 69 69 LEU H H 69 7.285 7.285 7.900 -0.615 18987 5272 1 9 . 1 1 70 70 LYS N N 70 119.751 119.751 118.917 0.834 18987 5273 1 9 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.704 0.257 18987 5274 1 9 . 1 1 70 70 LYS C C 70 177.903 177.903 178.265 -0.362 18987 5275 1 9 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.919 0.561 18987 5276 1 9 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.742 0.238 18987 5277 1 9 . 1 1 70 70 LYS H H 70 8.601 8.601 7.397 1.204 18987 5278 1 9 . 1 1 71 71 ASN N N 71 113.386 113.386 116.141 -2.755 18987 5279 1 9 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.465 0.261 18987 5280 1 9 . 1 1 71 71 ASN C C 71 176.808 176.808 176.877 -0.069 18987 5281 1 9 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.744 -1.374 18987 5282 1 9 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.624 1.336 18987 5283 1 9 . 1 1 71 71 ASN H H 71 6.965 6.965 7.739 -0.774 18987 5284 1 9 . 1 1 72 72 LYS N N 72 118.475 118.475 117.747 0.728 18987 5285 1 9 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.233 -0.084 18987 5286 1 9 . 1 1 72 72 LYS C C 72 178.849 178.849 178.128 0.721 18987 5287 1 9 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.654 -0.735 18987 5288 1 9 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.999 1.031 18987 5289 1 9 . 1 1 72 72 LYS H H 72 8.113 8.113 7.462 0.651 18987 5290 1 9 . 1 1 73 73 LEU N N 73 120.458 120.458 120.212 0.246 18987 5291 1 9 . 1 1 73 73 LEU HA H 73 3.599 3.599 4.044 -0.445 18987 5292 1 9 . 1 1 73 73 LEU C C 73 178.126 178.126 178.265 -0.139 18987 5293 1 9 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.048 1.782 18987 5294 1 9 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.681 -0.781 18987 5295 1 9 . 1 1 73 73 LEU H H 73 8.549 8.549 8.178 0.371 18987 5296 1 9 . 1 1 74 74 GLN N N 74 112.719 112.719 115.377 -2.658 18987 5297 1 9 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.142 0.036 18987 5298 1 9 . 1 1 74 74 GLN C C 74 176.883 176.883 177.209 -0.326 18987 5299 1 9 . 1 1 74 74 GLN CA C 74 57.250 57.250 57.916 -0.666 18987 5300 1 9 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.194 0.236 18987 5301 1 9 . 1 1 74 74 GLN H H 74 7.918 7.918 7.821 0.097 18987 5302 1 9 . 1 1 75 75 THR N N 75 108.336 108.336 114.091 -5.755 18987 5303 1 9 . 1 1 75 75 THR HA H 75 4.410 4.410 4.442 -0.032 18987 5304 1 9 . 1 1 75 75 THR C C 75 174.619 174.619 174.688 -0.069 18987 5305 1 9 . 1 1 75 75 THR CA C 75 61.760 61.760 62.171 -0.411 18987 5306 1 9 . 1 1 75 75 THR CB C 75 69.950 69.950 70.062 -0.112 18987 5307 1 9 . 1 1 75 75 THR H H 75 7.620 7.620 7.464 0.156 18987 5308 1 9 . 1 1 76 76 LEU N N 76 122.754 122.754 119.424 3.330 18987 5309 1 9 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.621 -0.133 18987 5310 1 9 . 1 1 76 76 LEU C C 76 177.234 177.234 175.988 1.246 18987 5311 1 9 . 1 1 76 76 LEU CA C 76 54.190 54.190 53.730 0.460 18987 5312 1 9 . 1 1 76 76 LEU CB C 76 44.040 44.040 42.420 1.620 18987 5313 1 9 . 1 1 76 76 LEU H H 76 7.191 7.191 7.704 -0.513 18987 5314 1 9 . 1 1 77 77 SER N N 77 119.431 119.431 115.220 4.211 18987 5315 1 9 . 1 1 77 77 SER HA H 77 4.465 4.465 4.545 -0.080 18987 5316 1 9 . 1 1 77 77 SER C C 77 175.320 175.320 175.800 -0.480 18987 5317 1 9 . 1 1 77 77 SER CA C 77 57.360 57.360 57.631 -0.271 18987 5318 1 9 . 1 1 77 77 SER CB C 77 65.080 65.080 64.495 0.585 18987 5319 1 9 . 1 1 77 77 SER H H 77 9.367 9.367 8.301 1.066 18987 5320 1 9 . 1 1 78 78 ASP N N 78 122.766 122.766 123.301 -0.535 18987 5321 1 9 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.375 -0.180 18987 5322 1 9 . 1 1 78 78 ASP C C 78 178.211 178.211 177.806 0.405 18987 5323 1 9 . 1 1 78 78 ASP CA C 78 58.470 58.470 58.221 0.249 18987 5324 1 9 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.848 -1.388 18987 5325 1 9 . 1 1 78 78 ASP H H 78 9.055 9.055 8.877 0.178 18987 5326 1 9 . 1 1 79 79 ASP N N 79 117.917 117.917 118.761 -0.844 18987 5327 1 9 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.400 -0.125 18987 5328 1 9 . 1 1 79 79 ASP C C 79 179.179 179.179 178.045 1.134 18987 5329 1 9 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.218 0.783 18987 5330 1 9 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.778 -0.468 18987 5331 1 9 . 1 1 79 79 ASP H H 79 8.245 8.245 8.831 -0.586 18987 5332 1 9 . 1 1 80 80 GLU N N 80 120.229 120.229 118.938 1.291 18987 5333 1 9 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.368 -0.451 18987 5334 1 9 . 1 1 80 80 GLU C C 80 180.369 180.369 178.887 1.482 18987 5335 1 9 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.529 0.771 18987 5336 1 9 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.851 1.069 18987 5337 1 9 . 1 1 80 80 GLU H H 80 7.732 7.732 7.665 0.067 18987 5338 1 9 . 1 1 81 81 LYS N N 81 120.163 120.163 120.796 -0.633 18987 5339 1 9 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.284 -0.438 18987 5340 1 9 . 1 1 81 81 LYS C C 81 177.956 177.956 179.133 -1.177 18987 5341 1 9 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.666 1.274 18987 5342 1 9 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.518 1.102 18987 5343 1 9 . 1 1 81 81 LYS H H 81 8.340 8.340 7.601 0.739 18987 5344 1 9 . 1 1 82 82 LEU N N 82 117.478 117.478 119.438 -1.960 18987 5345 1 9 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.664 0.009 18987 5346 1 9 . 1 1 82 82 LEU C C 82 178.870 178.870 178.778 0.092 18987 5347 1 9 . 1 1 82 82 LEU CA C 82 57.770 57.770 58.102 -0.333 18987 5348 1 9 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.549 0.201 18987 5349 1 9 . 1 1 82 82 LEU H H 82 8.161 8.161 8.056 0.105 18987 5350 1 9 . 1 1 83 83 GLU N N 83 119.824 119.824 119.374 0.450 18987 5351 1 9 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.929 -0.189 18987 5352 1 9 . 1 1 83 83 GLU C C 83 179.009 179.009 179.318 -0.309 18987 5353 1 9 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.429 0.051 18987 5354 1 9 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.452 -0.112 18987 5355 1 9 . 1 1 83 83 GLU H H 83 7.999 7.999 7.709 0.290 18987 5356 1 9 . 1 1 84 84 LEU N N 84 119.684 119.684 119.695 -0.011 18987 5357 1 9 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.950 -0.008 18987 5358 1 9 . 1 1 84 84 LEU C C 84 179.264 179.264 179.129 0.135 18987 5359 1 9 . 1 1 84 84 LEU CA C 84 58.090 58.090 57.795 0.295 18987 5360 1 9 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.870 0.440 18987 5361 1 9 . 1 1 84 84 LEU H H 84 7.470 7.470 7.714 -0.244 18987 5362 1 9 . 1 1 85 85 LEU N N 85 119.086 119.086 118.434 0.652 18987 5363 1 9 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.650 -0.266 18987 5364 1 9 . 1 1 85 85 LEU C C 85 176.064 176.064 179.088 -3.024 18987 5365 1 9 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.240 0.620 18987 5366 1 9 . 1 1 85 85 LEU CB C 85 42.360 42.360 40.997 1.363 18987 5367 1 9 . 1 1 85 85 LEU H H 85 7.726 7.726 7.613 0.113 18987 5368 1 9 . 1 1 86 86 SER N N 86 105.708 105.708 112.504 -6.796 18987 5369 1 9 . 1 1 86 86 SER HA H 86 4.283 4.283 4.775 -0.492 18987 5370 1 9 . 1 1 86 86 SER C C 86 176.351 176.351 176.182 0.169 18987 5371 1 9 . 1 1 86 86 SER CA C 86 60.380 60.380 60.263 0.117 18987 5372 1 9 . 1 1 86 86 SER CB C 86 64.400 64.400 63.277 1.123 18987 5373 1 9 . 1 1 86 86 SER H H 86 7.617 7.617 7.956 -0.339 18987 5374 1 9 . 1 1 87 87 SER N N 87 115.392 115.392 114.944 0.448 18987 5375 1 9 . 1 1 87 87 SER HA H 87 4.345 4.345 4.504 -0.159 18987 5376 1 9 . 1 1 87 87 SER C C 87 174.534 174.534 174.308 0.226 18987 5377 1 9 . 1 1 87 87 SER CA C 87 59.820 59.820 60.293 -0.473 18987 5378 1 9 . 1 1 87 87 SER CB C 87 64.340 64.340 64.171 0.169 18987 5379 1 9 . 1 1 87 87 SER H H 87 7.644 7.644 7.736 -0.092 18987 5380 1 9 . 1 1 88 88 ASP N N 88 120.295 120.295 120.135 0.160 18987 5381 1 9 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.765 -0.161 18987 5382 1 9 . 1 1 88 88 ASP C C 88 175.618 175.618 175.973 -0.355 18987 5383 1 9 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.320 0.690 18987 5384 1 9 . 1 1 88 88 ASP CB C 88 41.020 41.020 43.247 -2.227 18987 5385 1 9 . 1 1 88 88 ASP H H 88 7.104 7.104 7.647 -0.543 18987 5386 1 9 . 1 1 89 89 GLY N N 89 111.841 111.841 111.593 0.248 18987 5387 1 9 . 1 1 89 89 GLY C C 89 176.171 176.171 175.255 0.916 18987 5388 1 9 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.538 1.142 18987 5389 1 9 . 1 1 89 89 GLY H H 89 9.325 9.325 8.838 0.487 18987 5390 1 9 . 1 1 90 90 MET N N 90 117.877 117.877 118.210 -0.333 18987 5391 1 9 . 1 1 90 90 MET HA H 90 4.075 4.075 4.433 -0.358 18987 5392 1 9 . 1 1 90 90 MET C C 90 178.456 178.456 178.303 0.153 18987 5393 1 9 . 1 1 90 90 MET CA C 90 56.400 56.400 55.927 0.473 18987 5394 1 9 . 1 1 90 90 MET CB C 90 30.540 30.540 32.004 -1.464 18987 5395 1 9 . 1 1 90 90 MET H H 90 8.593 8.593 7.656 0.937 18987 5396 1 9 . 1 1 91 91 LEU N N 91 118.027 118.027 119.599 -1.572 18987 5397 1 9 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.190 0.089 18987 5398 1 9 . 1 1 91 91 LEU C C 91 176.298 176.298 176.521 -0.223 18987 5399 1 9 . 1 1 91 91 LEU CA C 91 55.460 55.460 56.924 -1.464 18987 5400 1 9 . 1 1 91 91 LEU CB C 91 43.130 43.130 41.898 1.232 18987 5401 1 9 . 1 1 91 91 LEU H H 91 8.224 8.224 7.804 0.420 18987 5402 1 9 . 1 1 92 92 VAL N N 92 120.960 120.960 116.673 4.287 18987 5403 1 9 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.358 -0.357 18987 5404 1 9 . 1 1 92 92 VAL C C 92 175.990 175.990 176.200 -0.210 18987 5405 1 9 . 1 1 92 92 VAL CA C 92 61.150 61.150 61.458 -0.307 18987 5406 1 9 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.732 -0.462 18987 5407 1 9 . 1 1 92 92 VAL H H 92 7.093 7.093 7.116 -0.023 18987 5408 1 9 . 1 1 93 93 LYS N N 93 130.687 130.687 125.260 5.427 18987 5409 1 9 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.189 -0.483 18987 5410 1 9 . 1 1 93 93 LYS C C 93 171.855 171.855 177.004 -5.149 18987 5411 1 9 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.413 1.508 18987 5412 1 9 . 1 1 93 93 LYS CB C 93 32.800 32.800 31.525 1.275 18987 5413 1 9 . 1 1 93 93 LYS H H 93 8.442 8.442 8.168 0.274 18987 5414 1 9 . 1 1 94 94 ARG N N 94 115.791 115.791 123.971 -8.180 18987 5415 1 9 . 1 1 94 94 ARG H H 94 7.676 7.676 8.402 -0.726 18987 5416 1 9 . 1 1 95 95 PRO C C 95 175.108 175.108 175.289 -0.181 18987 5417 1 9 . 1 1 96 96 LEU N N 96 128.494 128.494 125.761 2.733 18987 5418 1 9 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.233 -0.252 18987 5419 1 9 . 1 1 96 96 LEU C C 96 173.216 173.216 174.161 -0.945 18987 5420 1 9 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.623 1.247 18987 5421 1 9 . 1 1 96 96 LEU CB C 96 43.660 43.660 46.783 -3.123 18987 5422 1 9 . 1 1 96 96 LEU H H 96 8.246 8.246 8.469 -0.223 18987 5423 1 9 . 1 1 97 97 ALA N N 97 131.035 131.035 126.591 4.444 18987 5424 1 9 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.297 0.573 18987 5425 1 9 . 1 1 97 97 ALA C C 97 174.938 174.938 174.823 0.115 18987 5426 1 9 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.255 -1.405 18987 5427 1 9 . 1 1 97 97 ALA CB C 97 20.070 20.070 22.068 -1.998 18987 5428 1 9 . 1 1 97 97 ALA H H 97 8.839 8.839 9.008 -0.169 18987 5429 1 9 . 1 1 98 98 VAL N N 98 119.830 119.830 124.379 -4.549 18987 5430 1 9 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.277 0.279 18987 5431 1 9 . 1 1 98 98 VAL C C 98 173.896 173.896 173.666 0.230 18987 5432 1 9 . 1 1 98 98 VAL CA C 98 59.270 59.270 59.881 -0.611 18987 5433 1 9 . 1 1 98 98 VAL CB C 98 35.970 35.970 36.408 -0.438 18987 5434 1 9 . 1 1 98 98 VAL H H 98 8.824 8.824 8.551 0.273 18987 5435 1 9 . 1 1 99 99 MET N N 99 127.537 127.537 123.079 4.458 18987 5436 1 9 . 1 1 99 99 MET HA H 99 4.430 4.430 4.974 -0.544 18987 5437 1 9 . 1 1 99 99 MET CA C 99 56.710 56.710 54.510 2.200 18987 5438 1 9 . 1 1 99 99 MET CB C 99 31.050 31.050 36.130 -5.080 18987 5439 1 9 . 1 1 99 99 MET H H 99 8.873 8.873 9.059 -0.186 18987 5440 1 9 . 1 1 100 100 GLY C C 100 173.024 173.024 173.478 -0.454 18987 5441 1 9 . 1 1 100 100 GLY CA C 100 47.970 47.970 45.353 2.617 18987 5442 1 9 . 1 1 101 101 ASP N N 101 124.308 124.308 114.362 9.946 18987 5443 1 9 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.642 -0.443 18987 5444 1 9 . 1 1 101 101 ASP C C 101 175.172 175.172 175.573 -0.401 18987 5445 1 9 . 1 1 101 101 ASP CA C 101 53.310 53.310 54.279 -0.969 18987 5446 1 9 . 1 1 101 101 ASP CB C 101 40.170 40.170 41.032 -0.862 18987 5447 1 9 . 1 1 101 101 ASP H H 101 8.257 8.257 7.528 0.729 18987 5448 1 9 . 1 1 102 102 LYS N N 102 121.002 121.002 120.713 0.289 18987 5449 1 9 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.634 -0.228 18987 5450 1 9 . 1 1 102 102 LYS C C 102 174.257 174.257 174.362 -0.105 18987 5451 1 9 . 1 1 102 102 LYS CA C 102 55.370 55.370 55.398 -0.028 18987 5452 1 9 . 1 1 102 102 LYS CB C 102 36.230 36.230 34.810 1.420 18987 5453 1 9 . 1 1 102 102 LYS H H 102 8.108 8.108 7.940 0.168 18987 5454 1 9 . 1 1 103 103 ILE N N 103 118.488 118.488 120.143 -1.655 18987 5455 1 9 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.153 0.706 18987 5456 1 9 . 1 1 103 103 ILE C C 103 173.652 173.652 173.822 -0.170 18987 5457 1 9 . 1 1 103 103 ILE CA C 103 58.620 58.620 59.965 -1.345 18987 5458 1 9 . 1 1 103 103 ILE CB C 103 42.250 42.250 42.163 0.087 18987 5459 1 9 . 1 1 103 103 ILE H H 103 8.038 8.038 7.997 0.041 18987 5460 1 9 . 1 1 104 104 THR N N 104 115.441 115.441 117.963 -2.522 18987 5461 1 9 . 1 1 104 104 THR HA H 104 4.524 4.524 4.574 -0.050 18987 5462 1 9 . 1 1 104 104 THR C C 104 173.503 173.503 172.347 1.156 18987 5463 1 9 . 1 1 104 104 THR CA C 104 60.660 60.660 60.393 0.267 18987 5464 1 9 . 1 1 104 104 THR CB C 104 72.460 72.460 71.237 1.224 18987 5465 1 9 . 1 1 104 104 THR H H 104 9.360 9.360 9.160 0.200 18987 5466 1 9 . 1 1 105 105 LEU N N 105 123.352 123.352 126.339 -2.987 18987 5467 1 9 . 1 1 105 105 LEU HA H 105 5.023 5.023 4.666 0.357 18987 5468 1 9 . 1 1 105 105 LEU C C 105 178.860 178.860 178.393 0.467 18987 5469 1 9 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.728 -1.688 18987 5470 1 9 . 1 1 105 105 LEU CB C 105 44.290 44.290 44.698 -0.408 18987 5471 1 9 . 1 1 105 105 LEU H H 105 8.857 8.857 8.453 0.404 18987 5472 1 9 . 1 1 106 106 GLY N N 106 108.363 108.363 112.693 -4.330 18987 5473 1 9 . 1 1 106 106 GLY C C 106 172.100 172.100 172.952 -0.852 18987 5474 1 9 . 1 1 106 106 GLY CA C 106 44.870 44.870 46.203 -1.333 18987 5475 1 9 . 1 1 106 106 GLY H H 106 8.241 8.241 8.655 -0.414 18987 5476 1 9 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.912 -0.224 18987 5477 1 9 . 1 1 107 107 PHE CA C 107 58.000 58.000 55.849 2.151 18987 5478 1 9 . 1 1 107 107 PHE CB C 107 41.620 41.620 39.063 2.557 18987 5479 1 9 . 1 1 108 108 LYS N N 108 129.677 129.677 127.213 2.464 18987 5480 1 9 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.270 -0.368 18987 5481 1 9 . 1 1 108 108 LYS CA C 108 54.650 54.650 54.840 -0.190 18987 5482 1 9 . 1 1 108 108 LYS CB C 108 34.130 34.130 31.068 3.062 18987 5483 1 9 . 1 1 108 108 LYS H H 108 7.351 7.351 8.215 -0.864 18987 5484 1 9 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.168 -0.208 18987 5485 1 9 . 1 1 109 109 GLU C C 109 177.255 177.255 176.944 0.311 18987 5486 1 9 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.829 1.011 18987 5487 1 9 . 1 1 109 109 GLU CB C 109 29.300 29.300 28.951 0.349 18987 5488 1 9 . 1 1 110 110 ASP N N 110 115.831 115.831 119.256 -3.425 18987 5489 1 9 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.233 -0.076 18987 5490 1 9 . 1 1 110 110 ASP C C 110 178.456 178.456 178.280 0.176 18987 5491 1 9 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.343 -0.433 18987 5492 1 9 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.070 -0.860 18987 5493 1 9 . 1 1 110 110 ASP H H 110 8.654 8.654 8.503 0.151 18987 5494 1 9 . 1 1 111 111 GLN N N 111 119.458 119.458 118.730 0.728 18987 5495 1 9 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.919 0.162 18987 5496 1 9 . 1 1 111 111 GLN C C 111 179.189 179.189 178.327 0.862 18987 5497 1 9 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.794 -0.654 18987 5498 1 9 . 1 1 111 111 GLN CB C 111 28.850 28.850 28.072 0.778 18987 5499 1 9 . 1 1 111 111 GLN H H 111 6.993 6.993 8.174 -1.181 18987 5500 1 9 . 1 1 112 112 TYR N N 112 124.973 124.973 119.712 5.261 18987 5501 1 9 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.151 -0.224 18987 5502 1 9 . 1 1 112 112 TYR C C 112 178.254 178.254 178.047 0.207 18987 5503 1 9 . 1 1 112 112 TYR CA C 112 62.690 62.690 62.450 0.240 18987 5504 1 9 . 1 1 112 112 TYR CB C 112 36.660 36.660 38.510 -1.850 18987 5505 1 9 . 1 1 112 112 TYR H H 112 8.289 8.289 8.502 -0.213 18987 5506 1 9 . 1 1 113 113 LYS N N 113 118.329 118.329 118.648 -0.319 18987 5507 1 9 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.210 -0.297 18987 5508 1 9 . 1 1 113 113 LYS C C 113 178.296 178.296 177.972 0.324 18987 5509 1 9 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.797 1.283 18987 5510 1 9 . 1 1 113 113 LYS CB C 113 32.810 32.810 32.037 0.773 18987 5511 1 9 . 1 1 113 113 LYS H H 113 8.310 8.310 8.175 0.135 18987 5512 1 9 . 1 1 114 114 GLU N N 114 115.605 115.605 119.257 -3.652 18987 5513 1 9 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.257 -0.361 18987 5514 1 9 . 1 1 114 114 GLU C C 114 177.308 177.308 177.990 -0.682 18987 5515 1 9 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.514 -0.204 18987 5516 1 9 . 1 1 114 114 GLU CB C 114 30.140 30.140 29.754 0.386 18987 5517 1 9 . 1 1 114 114 GLU H H 114 7.603 7.603 7.890 -0.287 18987 5518 1 9 . 1 1 115 115 THR N N 115 112.256 112.256 113.510 -1.254 18987 5519 1 9 . 1 1 115 115 THR HA H 115 3.666 3.666 4.058 -0.392 18987 5520 1 9 . 1 1 115 115 THR C C 115 174.672 174.672 175.308 -0.636 18987 5521 1 9 . 1 1 115 115 THR CA C 115 65.710 65.710 64.811 0.899 18987 5522 1 9 . 1 1 115 115 THR CB C 115 68.700 68.700 68.790 -0.090 18987 5523 1 9 . 1 1 115 115 THR H H 115 7.591 7.591 7.894 -0.303 18987 5524 1 9 . 1 1 116 116 TRP N N 116 116.495 116.495 120.378 -3.883 18987 5525 1 9 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.547 0.756 18987 5526 1 9 . 1 1 116 116 TRP C C 116 176.553 176.553 177.017 -0.464 18987 5527 1 9 . 1 1 116 116 TRP CA C 116 55.620 55.620 58.571 -2.951 18987 5528 1 9 . 1 1 116 116 TRP CB C 116 31.430 31.430 29.919 1.511 18987 5529 1 9 . 1 1 116 116 TRP H H 116 7.661 7.661 7.538 0.123 18987 5530 1 9 . 1 1 117 117 LEU N N 117 116.588 116.588 117.757 -1.169 18987 5531 1 9 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.523 0.079 18987 5532 1 9 . 1 1 117 117 LEU C C 117 175.788 175.788 176.917 -1.129 18987 5533 1 9 . 1 1 117 117 LEU CA C 117 53.860 53.860 53.819 0.041 18987 5534 1 9 . 1 1 117 117 LEU CB C 117 40.880 40.880 42.561 -1.681 18987 5535 1 9 . 1 1 117 117 LEU H H 117 6.922 6.922 7.474 -0.552 18987 5536 1 10 . 1 1 2 2 ILE N N 2 124.348 124.348 122.314 2.034 18987 5537 1 10 . 1 1 2 2 ILE HA H 2 3.576 3.576 3.846 -0.270 18987 5538 1 10 . 1 1 2 2 ILE C C 2 175.884 175.884 175.940 -0.056 18987 5539 1 10 . 1 1 2 2 ILE CA C 2 62.790 62.790 62.126 0.664 18987 5540 1 10 . 1 1 2 2 ILE CB C 2 40.400 40.400 36.920 3.480 18987 5541 1 10 . 1 1 2 2 ILE H H 2 7.539 7.539 8.143 -0.604 18987 5542 1 10 . 1 1 3 3 LYS N N 3 128.600 128.600 128.078 0.522 18987 5543 1 10 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.099 0.236 18987 5544 1 10 . 1 1 3 3 LYS C C 3 173.322 173.322 175.647 -2.325 18987 5545 1 10 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.881 1.749 18987 5546 1 10 . 1 1 3 3 LYS CB C 3 32.800 32.800 30.585 2.215 18987 5547 1 10 . 1 1 3 3 LYS H H 3 8.524 8.524 8.422 0.102 18987 5548 1 10 . 1 1 4 4 PHE N N 4 128.560 128.560 127.633 0.927 18987 5549 1 10 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.703 0.132 18987 5550 1 10 . 1 1 4 4 PHE C C 4 172.546 172.546 173.738 -1.192 18987 5551 1 10 . 1 1 4 4 PHE CA C 4 56.570 56.570 56.112 0.458 18987 5552 1 10 . 1 1 4 4 PHE CB C 4 42.600 42.600 39.295 3.305 18987 5553 1 10 . 1 1 4 4 PHE H H 4 8.412 8.412 8.071 0.341 18987 5554 1 10 . 1 1 5 5 TYR N N 5 125.785 125.785 128.367 -2.582 18987 5555 1 10 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.260 -0.134 18987 5556 1 10 . 1 1 5 5 TYR C C 5 175.852 175.852 174.614 1.238 18987 5557 1 10 . 1 1 5 5 TYR CA C 5 57.980 57.980 57.663 0.318 18987 5558 1 10 . 1 1 5 5 TYR CB C 5 38.550 38.550 39.084 -0.534 18987 5559 1 10 . 1 1 5 5 TYR H H 5 9.313 9.313 8.447 0.866 18987 5560 1 10 . 1 1 6 6 GLN N N 6 117.436 117.436 122.292 -4.856 18987 5561 1 10 . 1 1 6 6 GLN HA H 6 4.622 4.622 5.338 -0.716 18987 5562 1 10 . 1 1 6 6 GLN C C 6 171.951 171.951 173.798 -1.847 18987 5563 1 10 . 1 1 6 6 GLN CA C 6 53.430 53.430 53.271 0.159 18987 5564 1 10 . 1 1 6 6 GLN CB C 6 30.490 30.490 32.831 -2.341 18987 5565 1 10 . 1 1 6 6 GLN H H 6 9.110 9.110 8.688 0.422 18987 5566 1 10 . 1 1 7 7 TYR N N 7 116.309 116.309 121.122 -4.813 18987 5567 1 10 . 1 1 7 7 TYR HA H 7 4.953 4.953 5.360 -0.407 18987 5568 1 10 . 1 1 7 7 TYR CA C 7 56.130 56.130 57.225 -1.095 18987 5569 1 10 . 1 1 7 7 TYR CB C 7 42.860 42.860 40.413 2.447 18987 5570 1 10 . 1 1 7 7 TYR H H 7 7.075 7.075 8.593 -1.518 18987 5571 1 10 . 1 1 12 12 THR HA H 12 3.868 3.868 4.036 -0.168 18987 5572 1 10 . 1 1 12 12 THR C C 12 176.203 176.203 176.105 0.098 18987 5573 1 10 . 1 1 12 12 THR CA C 12 65.930 65.930 65.565 0.365 18987 5574 1 10 . 1 1 12 12 THR CB C 12 68.630 68.630 68.401 0.229 18987 5575 1 10 . 1 1 13 13 CYS N N 13 116.721 116.721 118.602 -1.881 18987 5576 1 10 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.203 0.028 18987 5577 1 10 . 1 1 13 13 CYS C C 13 174.938 174.938 176.541 -1.603 18987 5578 1 10 . 1 1 13 13 CYS CA C 13 63.790 63.790 62.551 1.239 18987 5579 1 10 . 1 1 13 13 CYS CB C 13 33.590 33.590 27.250 6.340 18987 5580 1 10 . 1 1 13 13 CYS H H 13 8.441 8.441 8.462 -0.021 18987 5581 1 10 . 1 1 14 14 LYS N N 14 119.429 119.429 119.975 -0.546 18987 5582 1 10 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.128 -0.091 18987 5583 1 10 . 1 1 14 14 LYS C C 14 179.370 179.370 179.294 0.076 18987 5584 1 10 . 1 1 14 14 LYS CA C 14 59.150 59.150 58.501 0.649 18987 5585 1 10 . 1 1 14 14 LYS CB C 14 32.270 32.270 32.021 0.249 18987 5586 1 10 . 1 1 14 14 LYS H H 14 7.805 7.805 7.590 0.215 18987 5587 1 10 . 1 1 15 15 LYS N N 15 119.379 119.379 119.850 -0.471 18987 5588 1 10 . 1 1 15 15 LYS HA H 15 3.677 3.677 4.031 -0.354 18987 5589 1 10 . 1 1 15 15 LYS C C 15 177.999 177.999 178.966 -0.967 18987 5590 1 10 . 1 1 15 15 LYS CA C 15 59.270 59.270 59.125 0.145 18987 5591 1 10 . 1 1 15 15 LYS CB C 15 32.630 32.630 31.995 0.635 18987 5592 1 10 . 1 1 15 15 LYS H H 15 7.612 7.612 7.401 0.211 18987 5593 1 10 . 1 1 16 16 ALA N N 16 122.940 122.940 121.028 1.912 18987 5594 1 10 . 1 1 16 16 ALA HA H 16 2.906 2.906 3.906 -1.000 18987 5595 1 10 . 1 1 16 16 ALA C C 16 177.999 177.999 179.262 -1.263 18987 5596 1 10 . 1 1 16 16 ALA CA C 16 54.370 54.370 54.783 -0.413 18987 5597 1 10 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.141 1.129 18987 5598 1 10 . 1 1 16 16 ALA H H 16 7.346 7.346 8.275 -0.929 18987 5599 1 10 . 1 1 17 17 ALA N N 17 120.093 120.093 120.551 -0.458 18987 5600 1 10 . 1 1 17 17 ALA HA H 17 2.965 2.965 2.675 0.290 18987 5601 1 10 . 1 1 17 17 ALA C C 17 178.466 178.466 179.032 -0.566 18987 5602 1 10 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.521 0.349 18987 5603 1 10 . 1 1 17 17 ALA CB C 17 17.270 17.270 17.575 -0.305 18987 5604 1 10 . 1 1 17 17 ALA H H 17 7.959 7.959 7.651 0.308 18987 5605 1 10 . 1 1 18 18 LYS N N 18 115.894 115.894 119.328 -3.434 18987 5606 1 10 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.000 -0.035 18987 5607 1 10 . 1 1 18 18 LYS C C 18 178.647 178.647 178.483 0.164 18987 5608 1 10 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.913 -0.004 18987 5609 1 10 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.176 0.004 18987 5610 1 10 . 1 1 18 18 LYS H H 18 7.565 7.565 7.581 -0.016 18987 5611 1 10 . 1 1 19 19 PHE N N 19 120.854 120.854 120.495 0.359 18987 5612 1 10 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.280 -0.041 18987 5613 1 10 . 1 1 19 19 PHE C C 19 176.925 176.925 178.039 -1.114 18987 5614 1 10 . 1 1 19 19 PHE CA C 19 61.730 61.730 61.552 0.178 18987 5615 1 10 . 1 1 19 19 PHE CB C 19 39.140 39.140 38.945 0.195 18987 5616 1 10 . 1 1 19 19 PHE H H 19 7.496 7.496 7.796 -0.300 18987 5617 1 10 . 1 1 20 20 LEU N N 20 118.913 118.913 118.736 0.177 18987 5618 1 10 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.673 0.225 18987 5619 1 10 . 1 1 20 20 LEU C C 20 179.657 179.657 178.404 1.253 18987 5620 1 10 . 1 1 20 20 LEU CA C 20 58.330 58.330 57.840 0.490 18987 5621 1 10 . 1 1 20 20 LEU CB C 20 40.460 40.460 41.196 -0.736 18987 5622 1 10 . 1 1 20 20 LEU H H 20 8.012 8.012 8.034 -0.022 18987 5623 1 10 . 1 1 21 21 ASP N N 21 118.448 118.448 119.176 -0.728 18987 5624 1 10 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.400 0.056 18987 5625 1 10 . 1 1 21 21 ASP C C 21 180.358 180.358 178.497 1.861 18987 5626 1 10 . 1 1 21 21 ASP CA C 21 57.680 57.680 57.375 0.305 18987 5627 1 10 . 1 1 21 21 ASP CB C 21 40.520 40.520 41.134 -0.614 18987 5628 1 10 . 1 1 21 21 ASP H H 21 8.814 8.814 7.943 0.871 18987 5629 1 10 . 1 1 22 22 GLU N N 22 122.661 122.661 118.768 3.893 18987 5630 1 10 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.015 -0.273 18987 5631 1 10 . 1 1 22 22 GLU C C 22 178.371 178.371 178.310 0.061 18987 5632 1 10 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.867 0.373 18987 5633 1 10 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.732 -0.952 18987 5634 1 10 . 1 1 22 22 GLU H H 22 8.544 8.544 7.929 0.615 18987 5635 1 10 . 1 1 23 23 TYR N N 23 114.768 114.768 116.487 -1.719 18987 5636 1 10 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.380 -0.130 18987 5637 1 10 . 1 1 23 23 TYR C C 23 175.724 175.724 175.781 -0.057 18987 5638 1 10 . 1 1 23 23 TYR CA C 23 59.070 59.070 58.316 0.754 18987 5639 1 10 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.665 0.355 18987 5640 1 10 . 1 1 23 23 TYR H H 23 7.522 7.522 7.724 -0.202 18987 5641 1 10 . 1 1 24 24 GLY N N 24 110.449 110.449 107.278 3.171 18987 5642 1 10 . 1 1 24 24 GLY C C 24 174.534 174.534 174.535 -0.001 18987 5643 1 10 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.083 2.037 18987 5644 1 10 . 1 1 24 24 GLY H H 24 7.792 7.792 7.453 0.339 18987 5645 1 10 . 1 1 25 25 VAL N N 25 122.714 122.714 120.199 2.515 18987 5646 1 10 . 1 1 25 25 VAL HA H 25 3.959 3.959 4.032 -0.073 18987 5647 1 10 . 1 1 25 25 VAL C C 25 176.266 176.266 176.014 0.252 18987 5648 1 10 . 1 1 25 25 VAL CA C 25 62.000 62.000 62.430 -0.430 18987 5649 1 10 . 1 1 25 25 VAL CB C 25 32.480 32.480 32.540 -0.060 18987 5650 1 10 . 1 1 25 25 VAL H H 25 8.393 8.393 7.832 0.561 18987 5651 1 10 . 1 1 26 26 SER N N 26 123.498 123.498 124.051 -0.553 18987 5652 1 10 . 1 1 26 26 SER HA H 26 4.351 4.351 4.346 0.005 18987 5653 1 10 . 1 1 26 26 SER C C 26 173.513 173.513 173.563 -0.050 18987 5654 1 10 . 1 1 26 26 SER CA C 26 59.040 59.040 58.641 0.399 18987 5655 1 10 . 1 1 26 26 SER CB C 26 63.530 63.530 61.292 2.238 18987 5656 1 10 . 1 1 26 26 SER H H 26 8.559 8.559 8.506 0.053 18987 5657 1 10 . 1 1 27 27 TYR N N 27 119.756 119.756 121.355 -1.599 18987 5658 1 10 . 1 1 27 27 TYR HA H 27 4.983 4.983 5.034 -0.051 18987 5659 1 10 . 1 1 27 27 TYR C C 27 172.355 172.355 175.238 -2.883 18987 5660 1 10 . 1 1 27 27 TYR CA C 27 55.750 55.750 54.630 1.120 18987 5661 1 10 . 1 1 27 27 TYR CB C 27 40.730 40.730 40.353 0.377 18987 5662 1 10 . 1 1 27 27 TYR H H 27 7.838 7.838 7.687 0.151 18987 5663 1 10 . 1 1 28 28 GLU N N 28 123.126 123.126 121.093 2.033 18987 5664 1 10 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.720 0.008 18987 5665 1 10 . 1 1 28 28 GLU CA C 28 51.420 51.420 51.937 -0.517 18987 5666 1 10 . 1 1 28 28 GLU CB C 28 31.790 31.790 31.675 0.115 18987 5667 1 10 . 1 1 28 28 GLU H H 28 9.006 9.006 8.852 0.154 18987 5668 1 10 . 1 1 29 29 PRO HA H 29 5.619 5.619 5.058 0.561 18987 5669 1 10 . 1 1 29 29 PRO C C 29 177.276 177.276 176.063 1.213 18987 5670 1 10 . 1 1 29 29 PRO CA C 29 61.820 61.820 63.020 -1.200 18987 5671 1 10 . 1 1 29 29 PRO CB C 29 31.890 31.890 31.016 0.874 18987 5672 1 10 . 1 1 30 30 ILE N N 30 127.043 127.043 119.554 7.489 18987 5673 1 10 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.284 -0.180 18987 5674 1 10 . 1 1 30 30 ILE C C 30 174.948 174.948 174.162 0.786 18987 5675 1 10 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.900 1.460 18987 5676 1 10 . 1 1 30 30 ILE CB C 30 42.210 42.210 40.559 1.651 18987 5677 1 10 . 1 1 30 30 ILE H H 30 9.148 9.148 8.578 0.570 18987 5678 1 10 . 1 1 31 31 ASP N N 31 128.946 128.946 127.284 1.662 18987 5679 1 10 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.137 -0.245 18987 5680 1 10 . 1 1 31 31 ASP C C 31 176.373 176.373 177.319 -0.946 18987 5681 1 10 . 1 1 31 31 ASP CA C 31 54.600 54.600 56.159 -1.559 18987 5682 1 10 . 1 1 31 31 ASP CB C 31 42.920 42.920 40.966 1.954 18987 5683 1 10 . 1 1 31 31 ASP H H 31 9.092 9.092 8.818 0.274 18987 5684 1 10 . 1 1 32 32 ILE N N 32 127.576 127.576 127.769 -0.193 18987 5685 1 10 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.142 -0.050 18987 5686 1 10 . 1 1 32 32 ILE C C 32 174.013 174.013 176.651 -2.638 18987 5687 1 10 . 1 1 32 32 ILE CA C 32 62.520 62.520 64.525 -2.005 18987 5688 1 10 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.584 2.166 18987 5689 1 10 . 1 1 32 32 ILE H H 32 9.362 9.362 8.897 0.465 18987 5690 1 10 . 1 1 33 33 VAL N N 33 123.498 123.498 117.148 6.350 18987 5691 1 10 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.869 -0.226 18987 5692 1 10 . 1 1 33 33 VAL C C 33 176.819 176.819 177.349 -0.530 18987 5693 1 10 . 1 1 33 33 VAL CA C 33 65.050 65.050 64.349 0.701 18987 5694 1 10 . 1 1 33 33 VAL CB C 33 31.970 31.970 30.934 1.036 18987 5695 1 10 . 1 1 33 33 VAL H H 33 8.445 8.445 8.156 0.289 18987 5696 1 10 . 1 1 34 34 GLN N N 34 119.897 119.897 118.309 1.588 18987 5697 1 10 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.200 -0.247 18987 5698 1 10 . 1 1 34 34 GLN C C 34 176.734 176.734 176.356 0.378 18987 5699 1 10 . 1 1 34 34 GLN CA C 34 57.540 57.540 57.106 0.434 18987 5700 1 10 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.768 0.092 18987 5701 1 10 . 1 1 34 34 GLN H H 34 8.650 8.650 7.495 1.155 18987 5702 1 10 . 1 1 35 35 HIS N N 35 118.090 118.090 118.718 -0.628 18987 5703 1 10 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.888 0.076 18987 5704 1 10 . 1 1 35 35 HIS C C 35 173.758 173.758 174.004 -0.246 18987 5705 1 10 . 1 1 35 35 HIS CA C 35 53.660 53.660 54.660 -1.000 18987 5706 1 10 . 1 1 35 35 HIS CB C 35 29.190 29.190 30.258 -1.068 18987 5707 1 10 . 1 1 35 35 HIS H H 35 8.178 8.178 7.881 0.297 18987 5708 1 10 . 1 1 36 36 THR N N 36 118.794 118.794 118.879 -0.085 18987 5709 1 10 . 1 1 36 36 THR HA H 36 4.142 4.142 4.622 -0.480 18987 5710 1 10 . 1 1 36 36 THR CA C 36 62.080 62.080 61.829 0.251 18987 5711 1 10 . 1 1 36 36 THR CB C 36 70.180 70.180 68.727 1.453 18987 5712 1 10 . 1 1 36 36 THR H H 36 7.468 7.468 8.014 -0.546 18987 5713 1 10 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.430 -0.155 18987 5714 1 10 . 1 1 37 37 PRO C C 37 174.970 174.970 176.342 -1.372 18987 5715 1 10 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.341 0.629 18987 5716 1 10 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.792 -2.362 18987 5717 1 10 . 1 1 38 38 THR N N 38 111.512 111.512 112.521 -1.009 18987 5718 1 10 . 1 1 38 38 THR HA H 38 4.298 4.298 4.431 -0.133 18987 5719 1 10 . 1 1 38 38 THR C C 38 175.756 175.756 176.341 -0.585 18987 5720 1 10 . 1 1 38 38 THR CA C 38 60.700 60.700 61.937 -1.237 18987 5721 1 10 . 1 1 38 38 THR CB C 38 71.560 71.560 70.337 1.223 18987 5722 1 10 . 1 1 38 38 THR H H 38 8.220 8.220 7.986 0.234 18987 5723 1 10 . 1 1 39 39 ILE N N 39 119.950 119.950 121.651 -1.701 18987 5724 1 10 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.867 -0.190 18987 5725 1 10 . 1 1 39 39 ILE C C 39 177.871 177.871 177.991 -0.120 18987 5726 1 10 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.505 1.595 18987 5727 1 10 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.707 0.433 18987 5728 1 10 . 1 1 39 39 ILE H H 39 8.763 8.763 8.658 0.105 18987 5729 1 10 . 1 1 40 40 ASN N N 40 116.189 116.189 117.490 -1.301 18987 5730 1 10 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.487 -0.138 18987 5731 1 10 . 1 1 40 40 ASN C C 40 178.445 178.445 177.318 1.127 18987 5732 1 10 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.415 -0.085 18987 5733 1 10 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.574 0.366 18987 5734 1 10 . 1 1 40 40 ASN H H 40 8.180 8.180 8.502 -0.322 18987 5735 1 10 . 1 1 41 41 GLU N N 41 121.970 121.970 120.283 1.687 18987 5736 1 10 . 1 1 41 41 GLU HA H 41 3.915 3.915 4.067 -0.152 18987 5737 1 10 . 1 1 41 41 GLU C C 41 180.093 180.093 179.055 1.038 18987 5738 1 10 . 1 1 41 41 GLU CA C 41 59.590 59.590 58.951 0.639 18987 5739 1 10 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.189 0.562 18987 5740 1 10 . 1 1 41 41 GLU H H 41 7.782 7.782 7.538 0.244 18987 5741 1 10 . 1 1 42 42 PHE N N 42 118.929 118.929 119.576 -0.647 18987 5742 1 10 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.129 0.041 18987 5743 1 10 . 1 1 42 42 PHE C C 42 178.488 178.488 177.455 1.033 18987 5744 1 10 . 1 1 42 42 PHE CA C 42 63.020 63.020 62.160 0.860 18987 5745 1 10 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.853 0.377 18987 5746 1 10 . 1 1 42 42 PHE H H 42 8.776 8.776 8.435 0.341 18987 5747 1 10 . 1 1 43 43 LYS N N 43 118.820 118.820 118.338 0.482 18987 5748 1 10 . 1 1 43 43 LYS HA H 43 3.795 3.795 4.045 -0.250 18987 5749 1 10 . 1 1 43 43 LYS C C 43 179.816 179.816 179.340 0.476 18987 5750 1 10 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.523 1.627 18987 5751 1 10 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.968 0.272 18987 5752 1 10 . 1 1 43 43 LYS H H 43 8.775 8.775 8.278 0.497 18987 5753 1 10 . 1 1 44 44 THR N N 44 118.754 118.754 117.539 1.215 18987 5754 1 10 . 1 1 44 44 THR HA H 44 3.894 3.894 4.118 -0.224 18987 5755 1 10 . 1 1 44 44 THR C C 44 175.214 175.214 176.482 -1.268 18987 5756 1 10 . 1 1 44 44 THR CA C 44 66.900 66.900 66.594 0.307 18987 5757 1 10 . 1 1 44 44 THR CB C 44 68.920 68.920 68.867 0.053 18987 5758 1 10 . 1 1 44 44 THR H H 44 7.959 7.959 7.897 0.062 18987 5759 1 10 . 1 1 45 45 ILE N N 45 122.671 122.671 119.350 3.321 18987 5760 1 10 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.830 -0.023 18987 5761 1 10 . 1 1 45 45 ILE C C 45 180.273 180.273 177.885 2.388 18987 5762 1 10 . 1 1 45 45 ILE CA C 45 66.050 66.050 65.018 1.032 18987 5763 1 10 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.302 1.448 18987 5764 1 10 . 1 1 45 45 ILE H H 45 8.100 8.100 7.750 0.350 18987 5765 1 10 . 1 1 46 46 ILE N N 46 123.392 123.392 121.050 2.342 18987 5766 1 10 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.949 -0.424 18987 5767 1 10 . 1 1 46 46 ILE C C 46 178.509 178.509 177.589 0.920 18987 5768 1 10 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.604 1.206 18987 5769 1 10 . 1 1 46 46 ILE CB C 46 38.110 38.110 38.029 0.081 18987 5770 1 10 . 1 1 46 46 ILE H H 46 8.778 8.778 8.046 0.732 18987 5771 1 10 . 1 1 47 47 ALA N N 47 123.336 123.336 121.298 2.038 18987 5772 1 10 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.081 -0.033 18987 5773 1 10 . 1 1 47 47 ALA C C 47 180.114 180.114 179.159 0.955 18987 5774 1 10 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.837 0.063 18987 5775 1 10 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.334 -0.004 18987 5776 1 10 . 1 1 47 47 ALA H H 47 8.232 8.232 7.809 0.423 18987 5777 1 10 . 1 1 48 48 ASN N N 48 114.090 114.090 115.346 -1.256 18987 5778 1 10 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.611 -0.121 18987 5779 1 10 . 1 1 48 48 ASN C C 48 177.776 177.776 177.425 0.351 18987 5780 1 10 . 1 1 48 48 ASN CA C 48 55.070 55.070 55.570 -0.500 18987 5781 1 10 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.273 -0.603 18987 5782 1 10 . 1 1 48 48 ASN H H 48 8.464 8.464 8.079 0.385 18987 5783 1 10 . 1 1 49 49 THR N N 49 106.742 106.742 110.896 -4.154 18987 5784 1 10 . 1 1 49 49 THR HA H 49 4.471 4.471 4.555 -0.084 18987 5785 1 10 . 1 1 49 49 THR C C 49 176.968 176.968 176.159 0.809 18987 5786 1 10 . 1 1 49 49 THR CA C 49 62.550 62.550 63.653 -1.103 18987 5787 1 10 . 1 1 49 49 THR CB C 49 72.150 72.150 70.042 2.108 18987 5788 1 10 . 1 1 49 49 THR H H 49 8.035 8.035 8.060 -0.025 18987 5789 1 10 . 1 1 50 50 GLY N N 50 112.246 112.246 111.858 0.388 18987 5790 1 10 . 1 1 50 50 GLY C C 50 174.055 174.055 174.421 -0.366 18987 5791 1 10 . 1 1 50 50 GLY CA C 50 45.940 45.940 45.395 0.545 18987 5792 1 10 . 1 1 50 50 GLY H H 50 8.323 8.323 7.764 0.559 18987 5793 1 10 . 1 1 51 51 VAL N N 51 121.212 121.212 118.447 2.765 18987 5794 1 10 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.162 -0.287 18987 5795 1 10 . 1 1 51 51 VAL C C 51 173.120 173.120 175.649 -2.529 18987 5796 1 10 . 1 1 51 51 VAL CA C 51 61.380 61.380 61.104 0.276 18987 5797 1 10 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.478 -1.588 18987 5798 1 10 . 1 1 51 51 VAL H H 51 7.429 7.429 7.410 0.019 18987 5799 1 10 . 1 1 52 52 GLU N N 52 126.158 126.158 126.110 0.048 18987 5800 1 10 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.282 -0.173 18987 5801 1 10 . 1 1 52 52 GLU C C 52 178.190 178.190 176.774 1.416 18987 5802 1 10 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.483 -0.243 18987 5803 1 10 . 1 1 52 52 GLU CB C 52 30.190 30.190 30.324 -0.134 18987 5804 1 10 . 1 1 52 52 GLU H H 52 7.881 7.881 8.445 -0.564 18987 5805 1 10 . 1 1 53 53 ILE N N 53 125.807 125.807 127.952 -2.145 18987 5806 1 10 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.841 -0.417 18987 5807 1 10 . 1 1 53 53 ILE C C 53 177.425 177.425 177.240 0.185 18987 5808 1 10 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.561 2.219 18987 5809 1 10 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.026 -0.066 18987 5810 1 10 . 1 1 53 53 ILE H H 53 8.430 8.430 8.898 -0.468 18987 5811 1 10 . 1 1 54 54 ASN N N 54 116.588 116.588 117.642 -1.054 18987 5812 1 10 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.775 -0.319 18987 5813 1 10 . 1 1 54 54 ASN C C 54 178.807 178.807 177.423 1.384 18987 5814 1 10 . 1 1 54 54 ASN CA C 54 55.770 55.770 56.498 -0.728 18987 5815 1 10 . 1 1 54 54 ASN CB C 54 37.140 37.140 38.309 -1.169 18987 5816 1 10 . 1 1 54 54 ASN H H 54 8.585 8.585 8.527 0.058 18987 5817 1 10 . 1 1 55 55 LYS N N 55 117.013 117.013 118.078 -1.065 18987 5818 1 10 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.176 -0.074 18987 5819 1 10 . 1 1 55 55 LYS C C 55 176.819 176.819 177.352 -0.533 18987 5820 1 10 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.154 -0.594 18987 5821 1 10 . 1 1 55 55 LYS CB C 55 32.180 32.180 31.636 0.544 18987 5822 1 10 . 1 1 55 55 LYS H H 55 7.661 7.661 7.679 -0.018 18987 5823 1 10 . 1 1 56 56 LEU N N 56 114.768 114.768 118.896 -4.128 18987 5824 1 10 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.289 -0.362 18987 5825 1 10 . 1 1 56 56 LEU C C 56 176.702 176.702 176.691 0.011 18987 5826 1 10 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.809 0.111 18987 5827 1 10 . 1 1 56 56 LEU CB C 56 42.020 42.020 41.922 0.098 18987 5828 1 10 . 1 1 56 56 LEU H H 56 7.690 7.690 7.248 0.442 18987 5829 1 10 . 1 1 57 57 PHE N N 57 114.558 114.558 116.808 -2.250 18987 5830 1 10 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.685 -0.237 18987 5831 1 10 . 1 1 57 57 PHE C C 57 176.319 176.319 176.935 -0.616 18987 5832 1 10 . 1 1 57 57 PHE CA C 57 58.470 58.470 58.961 -0.491 18987 5833 1 10 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.487 1.213 18987 5834 1 10 . 1 1 57 57 PHE H H 57 7.032 7.032 7.618 -0.586 18987 5835 1 10 . 1 1 58 58 ASN N N 58 118.674 118.674 122.532 -3.858 18987 5836 1 10 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.656 -0.170 18987 5837 1 10 . 1 1 58 58 ASN CA C 58 51.540 51.540 52.815 -1.274 18987 5838 1 10 . 1 1 58 58 ASN CB C 58 36.910 36.910 37.441 -0.531 18987 5839 1 10 . 1 1 58 58 ASN H H 58 8.659 8.659 8.516 0.143 18987 5840 1 10 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.289 0.273 18987 5841 1 10 . 1 1 60 60 HIS C C 60 176.309 176.309 173.825 2.484 18987 5842 1 10 . 1 1 60 60 HIS CA C 60 55.920 55.920 56.478 -0.558 18987 5843 1 10 . 1 1 60 60 HIS CB C 60 30.890 30.890 29.393 1.497 18987 5844 1 10 . 1 1 61 61 GLY N N 61 106.925 106.925 105.777 1.148 18987 5845 1 10 . 1 1 61 61 GLY CA C 61 45.180 45.180 45.219 -0.039 18987 5846 1 10 . 1 1 61 61 GLY H H 61 7.284 7.284 7.760 -0.476 18987 5847 1 10 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.056 -0.008 18987 5848 1 10 . 1 1 63 63 LYS C C 63 177.435 177.435 178.500 -1.065 18987 5849 1 10 . 1 1 63 63 LYS CA C 63 58.300 58.300 59.108 -0.808 18987 5850 1 10 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.550 -1.390 18987 5851 1 10 . 1 1 64 64 TYR N N 64 119.737 119.737 120.565 -0.828 18987 5852 1 10 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.036 -0.380 18987 5853 1 10 . 1 1 64 64 TYR C C 64 178.339 178.339 176.838 1.501 18987 5854 1 10 . 1 1 64 64 TYR CA C 64 61.610 61.610 61.808 -0.198 18987 5855 1 10 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.380 0.520 18987 5856 1 10 . 1 1 64 64 TYR H H 64 7.644 7.644 8.049 -0.405 18987 5857 1 10 . 1 1 65 65 ARG N N 65 118.236 118.236 116.561 1.675 18987 5858 1 10 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.111 0.099 18987 5859 1 10 . 1 1 65 65 ARG C C 65 179.816 179.816 177.817 1.999 18987 5860 1 10 . 1 1 65 65 ARG CA C 65 59.090 59.090 58.597 0.493 18987 5861 1 10 . 1 1 65 65 ARG CB C 65 30.160 30.160 29.708 0.452 18987 5862 1 10 . 1 1 65 65 ARG H H 65 7.358 7.358 7.646 -0.288 18987 5863 1 10 . 1 1 66 66 GLU N N 66 123.063 123.063 119.718 3.345 18987 5864 1 10 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.160 -0.243 18987 5865 1 10 . 1 1 66 66 GLU C C 66 178.626 178.626 178.304 0.322 18987 5866 1 10 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.527 0.923 18987 5867 1 10 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.663 0.027 18987 5868 1 10 . 1 1 66 66 GLU H H 66 8.789 8.789 7.802 0.987 18987 5869 1 10 . 1 1 67 67 LEU N N 67 115.817 115.817 117.337 -1.520 18987 5870 1 10 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.222 -0.092 18987 5871 1 10 . 1 1 67 67 LEU C C 67 176.171 176.171 176.489 -0.318 18987 5872 1 10 . 1 1 67 67 LEU CA C 67 54.750 54.750 55.530 -0.780 18987 5873 1 10 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.335 -0.315 18987 5874 1 10 . 1 1 67 67 LEU H H 67 7.907 7.907 8.009 -0.102 18987 5875 1 10 . 1 1 68 68 ASP N N 68 118.063 118.063 116.013 2.050 18987 5876 1 10 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.216 0.198 18987 5877 1 10 . 1 1 68 68 ASP C C 68 177.521 177.521 176.502 1.019 18987 5878 1 10 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.977 -0.577 18987 5879 1 10 . 1 1 68 68 ASP CB C 68 39.640 39.640 38.527 1.113 18987 5880 1 10 . 1 1 68 68 ASP H H 68 7.878 7.878 7.470 0.408 18987 5881 1 10 . 1 1 69 69 LEU N N 69 115.724 115.724 118.278 -2.554 18987 5882 1 10 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.724 -0.285 18987 5883 1 10 . 1 1 69 69 LEU C C 69 177.584 177.584 177.860 -0.276 18987 5884 1 10 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.610 -0.130 18987 5885 1 10 . 1 1 69 69 LEU CB C 69 38.700 38.700 40.861 -2.162 18987 5886 1 10 . 1 1 69 69 LEU H H 69 7.285 7.285 7.779 -0.494 18987 5887 1 10 . 1 1 70 70 LYS N N 70 119.751 119.751 118.306 1.445 18987 5888 1 10 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.827 0.134 18987 5889 1 10 . 1 1 70 70 LYS C C 70 177.903 177.903 178.468 -0.565 18987 5890 1 10 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.709 0.771 18987 5891 1 10 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.687 0.293 18987 5892 1 10 . 1 1 70 70 LYS H H 70 8.601 8.601 7.892 0.709 18987 5893 1 10 . 1 1 71 71 ASN N N 71 113.386 113.386 116.124 -2.738 18987 5894 1 10 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.435 0.291 18987 5895 1 10 . 1 1 71 71 ASN C C 71 176.808 176.808 176.443 0.365 18987 5896 1 10 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.733 -1.363 18987 5897 1 10 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.558 1.402 18987 5898 1 10 . 1 1 71 71 ASN H H 71 6.965 6.965 7.771 -0.806 18987 5899 1 10 . 1 1 72 72 LYS N N 72 118.475 118.475 117.718 0.757 18987 5900 1 10 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.153 -0.004 18987 5901 1 10 . 1 1 72 72 LYS C C 72 178.849 178.849 178.284 0.565 18987 5902 1 10 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.522 -0.602 18987 5903 1 10 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.566 1.464 18987 5904 1 10 . 1 1 72 72 LYS H H 72 8.113 8.113 7.400 0.713 18987 5905 1 10 . 1 1 73 73 LEU N N 73 120.458 120.458 120.176 0.282 18987 5906 1 10 . 1 1 73 73 LEU HA H 73 3.599 3.599 4.006 -0.407 18987 5907 1 10 . 1 1 73 73 LEU C C 73 178.126 178.126 178.524 -0.398 18987 5908 1 10 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.221 1.609 18987 5909 1 10 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.718 -0.818 18987 5910 1 10 . 1 1 73 73 LEU H H 73 8.549 8.549 8.211 0.338 18987 5911 1 10 . 1 1 74 74 GLN N N 74 112.719 112.719 114.538 -1.819 18987 5912 1 10 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.139 0.039 18987 5913 1 10 . 1 1 74 74 GLN C C 74 176.883 176.883 177.181 -0.298 18987 5914 1 10 . 1 1 74 74 GLN CA C 74 57.250 57.250 57.985 -0.735 18987 5915 1 10 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.236 0.194 18987 5916 1 10 . 1 1 74 74 GLN H H 74 7.918 7.918 7.786 0.132 18987 5917 1 10 . 1 1 75 75 THR N N 75 108.336 108.336 114.187 -5.851 18987 5918 1 10 . 1 1 75 75 THR HA H 75 4.410 4.410 4.472 -0.062 18987 5919 1 10 . 1 1 75 75 THR C C 75 174.619 174.619 174.948 -0.329 18987 5920 1 10 . 1 1 75 75 THR CA C 75 61.760 61.760 62.498 -0.738 18987 5921 1 10 . 1 1 75 75 THR CB C 75 69.950 69.950 70.186 -0.236 18987 5922 1 10 . 1 1 75 75 THR H H 75 7.620 7.620 7.501 0.119 18987 5923 1 10 . 1 1 76 76 LEU N N 76 122.754 122.754 120.377 2.377 18987 5924 1 10 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.467 0.021 18987 5925 1 10 . 1 1 76 76 LEU C C 76 177.234 177.234 176.098 1.136 18987 5926 1 10 . 1 1 76 76 LEU CA C 76 54.190 54.190 54.004 0.186 18987 5927 1 10 . 1 1 76 76 LEU CB C 76 44.040 44.040 42.116 1.924 18987 5928 1 10 . 1 1 76 76 LEU H H 76 7.191 7.191 7.815 -0.624 18987 5929 1 10 . 1 1 77 77 SER N N 77 119.431 119.431 115.073 4.358 18987 5930 1 10 . 1 1 77 77 SER HA H 77 4.465 4.465 4.508 -0.043 18987 5931 1 10 . 1 1 77 77 SER C C 77 175.320 175.320 175.784 -0.464 18987 5932 1 10 . 1 1 77 77 SER CA C 77 57.360 57.360 57.693 -0.333 18987 5933 1 10 . 1 1 77 77 SER CB C 77 65.080 65.080 64.487 0.593 18987 5934 1 10 . 1 1 77 77 SER H H 77 9.367 9.367 8.305 1.062 18987 5935 1 10 . 1 1 78 78 ASP N N 78 122.766 122.766 123.726 -0.960 18987 5936 1 10 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.383 -0.188 18987 5937 1 10 . 1 1 78 78 ASP C C 78 178.211 178.211 177.697 0.514 18987 5938 1 10 . 1 1 78 78 ASP CA C 78 58.470 58.470 58.037 0.433 18987 5939 1 10 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.892 -1.432 18987 5940 1 10 . 1 1 78 78 ASP H H 78 9.055 9.055 8.895 0.160 18987 5941 1 10 . 1 1 79 79 ASP N N 79 117.917 117.917 119.344 -1.427 18987 5942 1 10 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.410 -0.135 18987 5943 1 10 . 1 1 79 79 ASP C C 79 179.179 179.179 178.077 1.102 18987 5944 1 10 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.182 0.818 18987 5945 1 10 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.755 -0.445 18987 5946 1 10 . 1 1 79 79 ASP H H 79 8.245 8.245 8.801 -0.556 18987 5947 1 10 . 1 1 80 80 GLU N N 80 120.229 120.229 119.131 1.098 18987 5948 1 10 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.322 -0.405 18987 5949 1 10 . 1 1 80 80 GLU C C 80 180.369 180.369 178.981 1.388 18987 5950 1 10 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.763 0.537 18987 5951 1 10 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.749 1.171 18987 5952 1 10 . 1 1 80 80 GLU H H 80 7.732 7.732 7.783 -0.051 18987 5953 1 10 . 1 1 81 81 LYS N N 81 120.163 120.163 120.649 -0.486 18987 5954 1 10 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.299 -0.453 18987 5955 1 10 . 1 1 81 81 LYS C C 81 177.956 177.956 179.158 -1.202 18987 5956 1 10 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.679 1.261 18987 5957 1 10 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.526 1.094 18987 5958 1 10 . 1 1 81 81 LYS H H 81 8.340 8.340 7.539 0.801 18987 5959 1 10 . 1 1 82 82 LEU N N 82 117.478 117.478 119.320 -1.842 18987 5960 1 10 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.678 -0.005 18987 5961 1 10 . 1 1 82 82 LEU C C 82 178.870 178.870 178.741 0.129 18987 5962 1 10 . 1 1 82 82 LEU CA C 82 57.770 57.770 58.075 -0.305 18987 5963 1 10 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.602 0.148 18987 5964 1 10 . 1 1 82 82 LEU H H 82 8.161 8.161 8.077 0.084 18987 5965 1 10 . 1 1 83 83 GLU N N 83 119.824 119.824 119.492 0.332 18987 5966 1 10 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.933 -0.193 18987 5967 1 10 . 1 1 83 83 GLU C C 83 179.009 179.009 179.326 -0.317 18987 5968 1 10 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.430 0.050 18987 5969 1 10 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.483 -0.143 18987 5970 1 10 . 1 1 83 83 GLU H H 83 7.999 7.999 7.811 0.188 18987 5971 1 10 . 1 1 84 84 LEU N N 84 119.684 119.684 119.792 -0.108 18987 5972 1 10 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.949 -0.007 18987 5973 1 10 . 1 1 84 84 LEU C C 84 179.264 179.264 179.090 0.174 18987 5974 1 10 . 1 1 84 84 LEU CA C 84 58.090 58.090 57.791 0.299 18987 5975 1 10 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.877 0.433 18987 5976 1 10 . 1 1 84 84 LEU H H 84 7.470 7.470 7.778 -0.308 18987 5977 1 10 . 1 1 85 85 LEU N N 85 119.086 119.086 118.327 0.759 18987 5978 1 10 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.595 -0.211 18987 5979 1 10 . 1 1 85 85 LEU C C 85 176.064 176.064 178.993 -2.929 18987 5980 1 10 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.208 0.652 18987 5981 1 10 . 1 1 85 85 LEU CB C 85 42.360 42.360 40.872 1.488 18987 5982 1 10 . 1 1 85 85 LEU H H 85 7.726 7.726 7.651 0.075 18987 5983 1 10 . 1 1 86 86 SER N N 86 105.708 105.708 112.337 -6.629 18987 5984 1 10 . 1 1 86 86 SER HA H 86 4.283 4.283 4.713 -0.430 18987 5985 1 10 . 1 1 86 86 SER C C 86 176.351 176.351 175.765 0.586 18987 5986 1 10 . 1 1 86 86 SER CA C 86 60.380 60.380 60.199 0.181 18987 5987 1 10 . 1 1 86 86 SER CB C 86 64.400 64.400 63.340 1.060 18987 5988 1 10 . 1 1 86 86 SER H H 86 7.617 7.617 7.730 -0.113 18987 5989 1 10 . 1 1 87 87 SER N N 87 115.392 115.392 115.689 -0.297 18987 5990 1 10 . 1 1 87 87 SER HA H 87 4.345 4.345 4.466 -0.121 18987 5991 1 10 . 1 1 87 87 SER C C 87 174.534 174.534 174.273 0.261 18987 5992 1 10 . 1 1 87 87 SER CA C 87 59.820 59.820 60.111 -0.291 18987 5993 1 10 . 1 1 87 87 SER CB C 87 64.340 64.340 64.055 0.285 18987 5994 1 10 . 1 1 87 87 SER H H 87 7.644 7.644 7.744 -0.100 18987 5995 1 10 . 1 1 88 88 ASP N N 88 120.295 120.295 119.272 1.023 18987 5996 1 10 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.750 -0.146 18987 5997 1 10 . 1 1 88 88 ASP C C 88 175.618 175.618 176.058 -0.440 18987 5998 1 10 . 1 1 88 88 ASP CA C 88 54.010 54.010 54.062 -0.052 18987 5999 1 10 . 1 1 88 88 ASP CB C 88 41.020 41.020 43.623 -2.603 18987 6000 1 10 . 1 1 88 88 ASP H H 88 7.104 7.104 7.594 -0.490 18987 6001 1 10 . 1 1 89 89 GLY N N 89 111.841 111.841 111.981 -0.140 18987 6002 1 10 . 1 1 89 89 GLY C C 89 176.171 176.171 175.132 1.039 18987 6003 1 10 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.672 1.008 18987 6004 1 10 . 1 1 89 89 GLY H H 89 9.325 9.325 8.751 0.574 18987 6005 1 10 . 1 1 90 90 MET N N 90 117.877 117.877 117.071 0.806 18987 6006 1 10 . 1 1 90 90 MET HA H 90 4.075 4.075 4.553 -0.478 18987 6007 1 10 . 1 1 90 90 MET C C 90 178.456 178.456 176.747 1.709 18987 6008 1 10 . 1 1 90 90 MET CA C 90 56.400 56.400 54.991 1.409 18987 6009 1 10 . 1 1 90 90 MET CB C 90 30.540 30.540 32.533 -1.993 18987 6010 1 10 . 1 1 90 90 MET H H 90 8.593 8.593 7.729 0.864 18987 6011 1 10 . 1 1 91 91 LEU N N 91 118.027 118.027 117.776 0.251 18987 6012 1 10 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.259 0.020 18987 6013 1 10 . 1 1 91 91 LEU C C 91 176.298 176.298 176.771 -0.473 18987 6014 1 10 . 1 1 91 91 LEU CA C 91 55.460 55.460 56.133 -0.673 18987 6015 1 10 . 1 1 91 91 LEU CB C 91 43.130 43.130 42.458 0.673 18987 6016 1 10 . 1 1 91 91 LEU H H 91 8.224 8.224 7.508 0.716 18987 6017 1 10 . 1 1 92 92 VAL N N 92 120.960 120.960 116.969 3.991 18987 6018 1 10 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.359 -0.358 18987 6019 1 10 . 1 1 92 92 VAL C C 92 175.990 175.990 176.479 -0.489 18987 6020 1 10 . 1 1 92 92 VAL CA C 92 61.150 61.150 60.068 1.082 18987 6021 1 10 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.392 -0.123 18987 6022 1 10 . 1 1 92 92 VAL H H 92 7.093 7.093 7.110 -0.017 18987 6023 1 10 . 1 1 93 93 LYS N N 93 130.687 130.687 123.687 7.000 18987 6024 1 10 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.198 -0.492 18987 6025 1 10 . 1 1 93 93 LYS C C 93 171.855 171.855 177.169 -5.314 18987 6026 1 10 . 1 1 93 93 LYS CA C 93 57.920 57.920 55.883 2.037 18987 6027 1 10 . 1 1 93 93 LYS CB C 93 32.800 32.800 32.123 0.677 18987 6028 1 10 . 1 1 93 93 LYS H H 93 8.442 8.442 8.273 0.169 18987 6029 1 10 . 1 1 94 94 ARG N N 94 115.791 115.791 122.305 -6.514 18987 6030 1 10 . 1 1 94 94 ARG H H 94 7.676 7.676 8.761 -1.085 18987 6031 1 10 . 1 1 95 95 PRO C C 95 175.108 175.108 175.335 -0.227 18987 6032 1 10 . 1 1 96 96 LEU N N 96 128.494 128.494 126.150 2.344 18987 6033 1 10 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.545 -0.564 18987 6034 1 10 . 1 1 96 96 LEU C C 96 173.216 173.216 174.177 -0.961 18987 6035 1 10 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.579 1.291 18987 6036 1 10 . 1 1 96 96 LEU CB C 96 43.660 43.660 46.899 -3.239 18987 6037 1 10 . 1 1 96 96 LEU H H 96 8.246 8.246 8.461 -0.215 18987 6038 1 10 . 1 1 97 97 ALA N N 97 131.035 131.035 126.728 4.307 18987 6039 1 10 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.299 0.571 18987 6040 1 10 . 1 1 97 97 ALA C C 97 174.938 174.938 174.883 0.055 18987 6041 1 10 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.422 -1.572 18987 6042 1 10 . 1 1 97 97 ALA CB C 97 20.070 20.070 22.104 -2.034 18987 6043 1 10 . 1 1 97 97 ALA H H 97 8.839 8.839 8.951 -0.112 18987 6044 1 10 . 1 1 98 98 VAL N N 98 119.830 119.830 124.973 -5.143 18987 6045 1 10 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.082 0.474 18987 6046 1 10 . 1 1 98 98 VAL C C 98 173.896 173.896 173.614 0.282 18987 6047 1 10 . 1 1 98 98 VAL CA C 98 59.270 59.270 60.498 -1.228 18987 6048 1 10 . 1 1 98 98 VAL CB C 98 35.970 35.970 36.443 -0.473 18987 6049 1 10 . 1 1 98 98 VAL H H 98 8.824 8.824 8.792 0.032 18987 6050 1 10 . 1 1 99 99 MET N N 99 127.537 127.537 125.193 2.344 18987 6051 1 10 . 1 1 99 99 MET HA H 99 4.430 4.430 5.033 -0.603 18987 6052 1 10 . 1 1 99 99 MET CA C 99 56.710 56.710 53.484 3.226 18987 6053 1 10 . 1 1 99 99 MET CB C 99 31.050 31.050 36.630 -5.580 18987 6054 1 10 . 1 1 99 99 MET H H 99 8.873 8.873 8.814 0.059 18987 6055 1 10 . 1 1 100 100 GLY C C 100 173.024 173.024 173.374 -0.350 18987 6056 1 10 . 1 1 100 100 GLY CA C 100 47.970 47.970 46.250 1.720 18987 6057 1 10 . 1 1 101 101 ASP N N 101 124.308 124.308 117.142 7.166 18987 6058 1 10 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.725 -0.526 18987 6059 1 10 . 1 1 101 101 ASP C C 101 175.172 175.172 175.995 -0.823 18987 6060 1 10 . 1 1 101 101 ASP CA C 101 53.310 53.310 54.556 -1.246 18987 6061 1 10 . 1 1 101 101 ASP CB C 101 40.170 40.170 42.182 -2.012 18987 6062 1 10 . 1 1 101 101 ASP H H 101 8.257 8.257 8.089 0.168 18987 6063 1 10 . 1 1 102 102 LYS N N 102 121.002 121.002 117.773 3.229 18987 6064 1 10 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.697 -0.291 18987 6065 1 10 . 1 1 102 102 LYS C C 102 174.257 174.257 174.467 -0.210 18987 6066 1 10 . 1 1 102 102 LYS CA C 102 55.370 55.370 54.826 0.544 18987 6067 1 10 . 1 1 102 102 LYS CB C 102 36.230 36.230 35.797 0.433 18987 6068 1 10 . 1 1 102 102 LYS H H 102 8.108 8.108 7.929 0.179 18987 6069 1 10 . 1 1 103 103 ILE N N 103 118.488 118.488 119.658 -1.170 18987 6070 1 10 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.347 0.512 18987 6071 1 10 . 1 1 103 103 ILE C C 103 173.652 173.652 174.347 -0.695 18987 6072 1 10 . 1 1 103 103 ILE CA C 103 58.620 58.620 59.943 -1.323 18987 6073 1 10 . 1 1 103 103 ILE CB C 103 42.250 42.250 42.271 -0.021 18987 6074 1 10 . 1 1 103 103 ILE H H 103 8.038 8.038 8.229 -0.191 18987 6075 1 10 . 1 1 104 104 THR N N 104 115.441 115.441 118.956 -3.515 18987 6076 1 10 . 1 1 104 104 THR HA H 104 4.524 4.524 4.792 -0.268 18987 6077 1 10 . 1 1 104 104 THR C C 104 173.503 173.503 173.215 0.288 18987 6078 1 10 . 1 1 104 104 THR CA C 104 60.660 60.660 60.863 -0.203 18987 6079 1 10 . 1 1 104 104 THR CB C 104 72.460 72.460 71.817 0.644 18987 6080 1 10 . 1 1 104 104 THR H H 104 9.360 9.360 9.210 0.150 18987 6081 1 10 . 1 1 105 105 LEU N N 105 123.352 123.352 127.184 -3.832 18987 6082 1 10 . 1 1 105 105 LEU HA H 105 5.023 5.023 5.026 -0.003 18987 6083 1 10 . 1 1 105 105 LEU C C 105 178.860 178.860 177.686 1.174 18987 6084 1 10 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.055 -1.015 18987 6085 1 10 . 1 1 105 105 LEU CB C 105 44.290 44.290 44.402 -0.112 18987 6086 1 10 . 1 1 105 105 LEU H H 105 8.857 8.857 8.659 0.198 18987 6087 1 10 . 1 1 106 106 GLY N N 106 108.363 108.363 111.463 -3.100 18987 6088 1 10 . 1 1 106 106 GLY C C 106 172.100 172.100 173.902 -1.802 18987 6089 1 10 . 1 1 106 106 GLY CA C 106 44.870 44.870 44.898 -0.028 18987 6090 1 10 . 1 1 106 106 GLY H H 106 8.241 8.241 8.362 -0.121 18987 6091 1 10 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.883 -0.195 18987 6092 1 10 . 1 1 107 107 PHE CA C 107 58.000 58.000 56.793 1.207 18987 6093 1 10 . 1 1 107 107 PHE CB C 107 41.620 41.620 38.757 2.863 18987 6094 1 10 . 1 1 108 108 LYS N N 108 129.677 129.677 128.397 1.280 18987 6095 1 10 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.127 -0.225 18987 6096 1 10 . 1 1 108 108 LYS CA C 108 54.650 54.650 54.928 -0.278 18987 6097 1 10 . 1 1 108 108 LYS CB C 108 34.130 34.130 33.635 0.495 18987 6098 1 10 . 1 1 108 108 LYS H H 108 7.351 7.351 7.379 -0.028 18987 6099 1 10 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.598 -0.638 18987 6100 1 10 . 1 1 109 109 GLU C C 109 177.255 177.255 177.547 -0.292 18987 6101 1 10 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.532 1.308 18987 6102 1 10 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.473 -0.173 18987 6103 1 10 . 1 1 110 110 ASP N N 110 115.831 115.831 119.060 -3.229 18987 6104 1 10 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.285 -0.128 18987 6105 1 10 . 1 1 110 110 ASP C C 110 178.456 178.456 178.470 -0.014 18987 6106 1 10 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.393 -0.483 18987 6107 1 10 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.343 -1.133 18987 6108 1 10 . 1 1 110 110 ASP H H 110 8.654 8.654 8.163 0.491 18987 6109 1 10 . 1 1 111 111 GLN N N 111 119.458 119.458 117.347 2.111 18987 6110 1 10 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.921 0.160 18987 6111 1 10 . 1 1 111 111 GLN C C 111 179.189 179.189 178.462 0.727 18987 6112 1 10 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.569 -0.429 18987 6113 1 10 . 1 1 111 111 GLN CB C 111 28.850 28.850 28.086 0.764 18987 6114 1 10 . 1 1 111 111 GLN H H 111 6.993 6.993 8.268 -1.275 18987 6115 1 10 . 1 1 112 112 TYR N N 112 124.973 124.973 118.769 6.204 18987 6116 1 10 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.222 -0.295 18987 6117 1 10 . 1 1 112 112 TYR C C 112 178.254 178.254 177.997 0.257 18987 6118 1 10 . 1 1 112 112 TYR CA C 112 62.690 62.690 60.205 2.485 18987 6119 1 10 . 1 1 112 112 TYR CB C 112 36.660 36.660 37.769 -1.109 18987 6120 1 10 . 1 1 112 112 TYR H H 112 8.289 8.289 7.721 0.568 18987 6121 1 10 . 1 1 113 113 LYS N N 113 118.329 118.329 118.524 -0.195 18987 6122 1 10 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.082 -0.169 18987 6123 1 10 . 1 1 113 113 LYS C C 113 178.296 178.296 178.417 -0.121 18987 6124 1 10 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.435 1.645 18987 6125 1 10 . 1 1 113 113 LYS CB C 113 32.810 32.810 31.744 1.065 18987 6126 1 10 . 1 1 113 113 LYS H H 113 8.310 8.310 7.868 0.442 18987 6127 1 10 . 1 1 114 114 GLU N N 114 115.605 115.605 118.575 -2.970 18987 6128 1 10 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.174 -0.278 18987 6129 1 10 . 1 1 114 114 GLU C C 114 177.308 177.308 178.175 -0.867 18987 6130 1 10 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.614 -0.304 18987 6131 1 10 . 1 1 114 114 GLU CB C 114 30.140 30.140 29.575 0.565 18987 6132 1 10 . 1 1 114 114 GLU H H 114 7.603 7.603 7.790 -0.187 18987 6133 1 10 . 1 1 115 115 THR N N 115 112.256 112.256 113.550 -1.294 18987 6134 1 10 . 1 1 115 115 THR HA H 115 3.666 3.666 4.172 -0.506 18987 6135 1 10 . 1 1 115 115 THR C C 115 174.672 174.672 174.790 -0.118 18987 6136 1 10 . 1 1 115 115 THR CA C 115 65.710 65.710 64.733 0.977 18987 6137 1 10 . 1 1 115 115 THR CB C 115 68.700 68.700 69.061 -0.361 18987 6138 1 10 . 1 1 115 115 THR H H 115 7.591 7.591 7.921 -0.330 18987 6139 1 10 . 1 1 116 116 TRP N N 116 116.495 116.495 119.067 -2.572 18987 6140 1 10 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.550 0.753 18987 6141 1 10 . 1 1 116 116 TRP C C 116 176.553 176.553 176.760 -0.207 18987 6142 1 10 . 1 1 116 116 TRP CA C 116 55.620 55.620 57.532 -1.912 18987 6143 1 10 . 1 1 116 116 TRP CB C 116 31.430 31.430 30.059 1.371 18987 6144 1 10 . 1 1 116 116 TRP H H 116 7.661 7.661 7.422 0.239 18987 6145 1 10 . 1 1 117 117 LEU N N 117 116.588 116.588 117.697 -1.109 18987 6146 1 10 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.244 0.358 18987 6147 1 10 . 1 1 117 117 LEU C C 117 175.788 175.788 176.684 -0.896 18987 6148 1 10 . 1 1 117 117 LEU CA C 117 53.860 53.860 54.867 -1.007 18987 6149 1 10 . 1 1 117 117 LEU CB C 117 40.880 40.880 42.134 -1.254 18987 6150 1 10 . 1 1 117 117 LEU H H 117 6.922 6.922 7.673 -0.751 18987 6151 1 11 . 1 1 2 2 ILE N N 2 124.348 124.348 122.129 2.219 18987 6152 1 11 . 1 1 2 2 ILE HA H 2 3.576 3.576 4.012 -0.436 18987 6153 1 11 . 1 1 2 2 ILE C C 2 175.884 175.884 175.929 -0.045 18987 6154 1 11 . 1 1 2 2 ILE CA C 2 62.790 62.790 61.689 1.101 18987 6155 1 11 . 1 1 2 2 ILE CB C 2 40.400 40.400 37.819 2.581 18987 6156 1 11 . 1 1 2 2 ILE H H 2 7.539 7.539 8.222 -0.683 18987 6157 1 11 . 1 1 3 3 LYS N N 3 128.600 128.600 127.582 1.018 18987 6158 1 11 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.158 0.177 18987 6159 1 11 . 1 1 3 3 LYS C C 3 173.322 173.322 175.788 -2.466 18987 6160 1 11 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.487 2.143 18987 6161 1 11 . 1 1 3 3 LYS CB C 3 32.800 32.800 30.609 2.191 18987 6162 1 11 . 1 1 3 3 LYS H H 3 8.524 8.524 8.628 -0.104 18987 6163 1 11 . 1 1 4 4 PHE N N 4 128.560 128.560 127.725 0.835 18987 6164 1 11 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.731 0.104 18987 6165 1 11 . 1 1 4 4 PHE C C 4 172.546 172.546 173.878 -1.332 18987 6166 1 11 . 1 1 4 4 PHE CA C 4 56.570 56.570 55.929 0.641 18987 6167 1 11 . 1 1 4 4 PHE CB C 4 42.600 42.600 38.862 3.738 18987 6168 1 11 . 1 1 4 4 PHE H H 4 8.412 8.412 8.116 0.296 18987 6169 1 11 . 1 1 5 5 TYR N N 5 125.785 125.785 127.139 -1.354 18987 6170 1 11 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.082 0.044 18987 6171 1 11 . 1 1 5 5 TYR C C 5 175.852 175.852 175.175 0.677 18987 6172 1 11 . 1 1 5 5 TYR CA C 5 57.980 57.980 58.038 -0.058 18987 6173 1 11 . 1 1 5 5 TYR CB C 5 38.550 38.550 39.326 -0.776 18987 6174 1 11 . 1 1 5 5 TYR H H 5 9.313 9.313 8.542 0.771 18987 6175 1 11 . 1 1 6 6 GLN N N 6 117.436 117.436 119.677 -2.241 18987 6176 1 11 . 1 1 6 6 GLN HA H 6 4.622 4.622 4.768 -0.146 18987 6177 1 11 . 1 1 6 6 GLN C C 6 171.951 171.951 173.745 -1.794 18987 6178 1 11 . 1 1 6 6 GLN CA C 6 53.430 53.430 54.386 -0.956 18987 6179 1 11 . 1 1 6 6 GLN CB C 6 30.490 30.490 32.022 -1.532 18987 6180 1 11 . 1 1 6 6 GLN H H 6 9.110 9.110 8.662 0.448 18987 6181 1 11 . 1 1 7 7 TYR N N 7 116.309 116.309 121.076 -4.767 18987 6182 1 11 . 1 1 7 7 TYR HA H 7 4.953 4.953 4.953 0.000 18987 6183 1 11 . 1 1 7 7 TYR CA C 7 56.130 56.130 58.108 -1.978 18987 6184 1 11 . 1 1 7 7 TYR CB C 7 42.860 42.860 39.159 3.701 18987 6185 1 11 . 1 1 7 7 TYR H H 7 7.075 7.075 8.790 -1.715 18987 6186 1 11 . 1 1 12 12 THR HA H 12 3.868 3.868 4.419 -0.551 18987 6187 1 11 . 1 1 12 12 THR C C 12 176.203 176.203 176.093 0.110 18987 6188 1 11 . 1 1 12 12 THR CA C 12 65.930 65.930 66.040 -0.110 18987 6189 1 11 . 1 1 12 12 THR CB C 12 68.630 68.630 69.654 -1.024 18987 6190 1 11 . 1 1 13 13 CYS N N 13 116.721 116.721 122.118 -5.397 18987 6191 1 11 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.452 -0.221 18987 6192 1 11 . 1 1 13 13 CYS C C 13 174.938 174.938 176.368 -1.430 18987 6193 1 11 . 1 1 13 13 CYS CA C 13 63.790 63.790 63.691 0.099 18987 6194 1 11 . 1 1 13 13 CYS CB C 13 33.590 33.590 27.719 5.871 18987 6195 1 11 . 1 1 13 13 CYS H H 13 8.441 8.441 7.934 0.507 18987 6196 1 11 . 1 1 14 14 LYS N N 14 119.429 119.429 119.083 0.346 18987 6197 1 11 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.015 0.022 18987 6198 1 11 . 1 1 14 14 LYS C C 14 179.370 179.370 179.203 0.167 18987 6199 1 11 . 1 1 14 14 LYS CA C 14 59.150 59.150 59.104 0.046 18987 6200 1 11 . 1 1 14 14 LYS CB C 14 32.270 32.270 31.803 0.467 18987 6201 1 11 . 1 1 14 14 LYS H H 14 7.805 7.805 8.149 -0.344 18987 6202 1 11 . 1 1 15 15 LYS N N 15 119.379 119.379 119.463 -0.084 18987 6203 1 11 . 1 1 15 15 LYS HA H 15 3.677 3.677 4.205 -0.528 18987 6204 1 11 . 1 1 15 15 LYS C C 15 177.999 177.999 179.027 -1.028 18987 6205 1 11 . 1 1 15 15 LYS CA C 15 59.270 59.270 59.211 0.059 18987 6206 1 11 . 1 1 15 15 LYS CB C 15 32.630 32.630 32.322 0.308 18987 6207 1 11 . 1 1 15 15 LYS H H 15 7.612 7.612 7.578 0.034 18987 6208 1 11 . 1 1 16 16 ALA N N 16 122.940 122.940 121.726 1.214 18987 6209 1 11 . 1 1 16 16 ALA HA H 16 2.906 2.906 4.198 -1.292 18987 6210 1 11 . 1 1 16 16 ALA C C 16 177.999 177.999 179.208 -1.209 18987 6211 1 11 . 1 1 16 16 ALA CA C 16 54.370 54.370 54.881 -0.511 18987 6212 1 11 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.121 1.149 18987 6213 1 11 . 1 1 16 16 ALA H H 16 7.346 7.346 8.291 -0.945 18987 6214 1 11 . 1 1 17 17 ALA N N 17 120.093 120.093 120.601 -0.508 18987 6215 1 11 . 1 1 17 17 ALA HA H 17 2.965 2.965 2.806 0.159 18987 6216 1 11 . 1 1 17 17 ALA C C 17 178.466 178.466 178.781 -0.315 18987 6217 1 11 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.443 0.427 18987 6218 1 11 . 1 1 17 17 ALA CB C 17 17.270 17.270 18.033 -0.763 18987 6219 1 11 . 1 1 17 17 ALA H H 17 7.959 7.959 8.011 -0.052 18987 6220 1 11 . 1 1 18 18 LYS N N 18 115.894 115.894 119.815 -3.921 18987 6221 1 11 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.045 -0.080 18987 6222 1 11 . 1 1 18 18 LYS C C 18 178.647 178.647 178.514 0.133 18987 6223 1 11 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.821 0.089 18987 6224 1 11 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.137 0.043 18987 6225 1 11 . 1 1 18 18 LYS H H 18 7.565 7.565 7.757 -0.192 18987 6226 1 11 . 1 1 19 19 PHE N N 19 120.854 120.854 120.217 0.637 18987 6227 1 11 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.341 -0.102 18987 6228 1 11 . 1 1 19 19 PHE C C 19 176.925 176.925 177.408 -0.483 18987 6229 1 11 . 1 1 19 19 PHE CA C 19 61.730 61.730 61.677 0.053 18987 6230 1 11 . 1 1 19 19 PHE CB C 19 39.140 39.140 39.220 -0.080 18987 6231 1 11 . 1 1 19 19 PHE H H 19 7.496 7.496 7.829 -0.333 18987 6232 1 11 . 1 1 20 20 LEU N N 20 118.913 118.913 118.972 -0.059 18987 6233 1 11 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.656 0.242 18987 6234 1 11 . 1 1 20 20 LEU C C 20 179.657 179.657 178.353 1.304 18987 6235 1 11 . 1 1 20 20 LEU CA C 20 58.330 58.330 57.803 0.527 18987 6236 1 11 . 1 1 20 20 LEU CB C 20 40.460 40.460 41.198 -0.738 18987 6237 1 11 . 1 1 20 20 LEU H H 20 8.012 8.012 7.848 0.164 18987 6238 1 11 . 1 1 21 21 ASP N N 21 118.448 118.448 118.334 0.114 18987 6239 1 11 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.404 0.052 18987 6240 1 11 . 1 1 21 21 ASP C C 21 180.358 180.358 178.529 1.829 18987 6241 1 11 . 1 1 21 21 ASP CA C 21 57.680 57.680 57.379 0.301 18987 6242 1 11 . 1 1 21 21 ASP CB C 21 40.520 40.520 41.029 -0.509 18987 6243 1 11 . 1 1 21 21 ASP H H 21 8.814 8.814 8.082 0.732 18987 6244 1 11 . 1 1 22 22 GLU N N 22 122.661 122.661 119.173 3.488 18987 6245 1 11 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.013 -0.271 18987 6246 1 11 . 1 1 22 22 GLU C C 22 178.371 178.371 178.184 0.187 18987 6247 1 11 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.805 0.435 18987 6248 1 11 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.680 -0.900 18987 6249 1 11 . 1 1 22 22 GLU H H 22 8.544 8.544 7.777 0.767 18987 6250 1 11 . 1 1 23 23 TYR N N 23 114.768 114.768 116.405 -1.637 18987 6251 1 11 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.348 -0.098 18987 6252 1 11 . 1 1 23 23 TYR C C 23 175.724 175.724 176.016 -0.292 18987 6253 1 11 . 1 1 23 23 TYR CA C 23 59.070 59.070 58.532 0.537 18987 6254 1 11 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.737 0.283 18987 6255 1 11 . 1 1 23 23 TYR H H 23 7.522 7.522 7.849 -0.327 18987 6256 1 11 . 1 1 24 24 GLY N N 24 110.449 110.449 108.032 2.417 18987 6257 1 11 . 1 1 24 24 GLY C C 24 174.534 174.534 174.520 0.014 18987 6258 1 11 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.302 1.818 18987 6259 1 11 . 1 1 24 24 GLY H H 24 7.792 7.792 7.549 0.243 18987 6260 1 11 . 1 1 25 25 VAL N N 25 122.714 122.714 120.910 1.804 18987 6261 1 11 . 1 1 25 25 VAL HA H 25 3.959 3.959 4.029 -0.070 18987 6262 1 11 . 1 1 25 25 VAL C C 25 176.266 176.266 175.828 0.438 18987 6263 1 11 . 1 1 25 25 VAL CA C 25 62.000 62.000 62.538 -0.538 18987 6264 1 11 . 1 1 25 25 VAL CB C 25 32.480 32.480 32.350 0.130 18987 6265 1 11 . 1 1 25 25 VAL H H 25 8.393 8.393 7.823 0.570 18987 6266 1 11 . 1 1 26 26 SER N N 26 123.498 123.498 123.070 0.428 18987 6267 1 11 . 1 1 26 26 SER HA H 26 4.351 4.351 4.404 -0.053 18987 6268 1 11 . 1 1 26 26 SER C C 26 173.513 173.513 173.396 0.117 18987 6269 1 11 . 1 1 26 26 SER CA C 26 59.040 59.040 59.217 -0.177 18987 6270 1 11 . 1 1 26 26 SER CB C 26 63.530 63.530 63.563 -0.033 18987 6271 1 11 . 1 1 26 26 SER H H 26 8.559 8.559 8.642 -0.083 18987 6272 1 11 . 1 1 27 27 TYR N N 27 119.756 119.756 119.852 -0.096 18987 6273 1 11 . 1 1 27 27 TYR HA H 27 4.983 4.983 5.105 -0.122 18987 6274 1 11 . 1 1 27 27 TYR C C 27 172.355 172.355 174.041 -1.686 18987 6275 1 11 . 1 1 27 27 TYR CA C 27 55.750 55.750 55.191 0.559 18987 6276 1 11 . 1 1 27 27 TYR CB C 27 40.730 40.730 41.554 -0.824 18987 6277 1 11 . 1 1 27 27 TYR H H 27 7.838 7.838 7.834 0.004 18987 6278 1 11 . 1 1 28 28 GLU N N 28 123.126 123.126 119.562 3.564 18987 6279 1 11 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.725 0.003 18987 6280 1 11 . 1 1 28 28 GLU CA C 28 51.420 51.420 52.386 -0.966 18987 6281 1 11 . 1 1 28 28 GLU CB C 28 31.790 31.790 31.940 -0.150 18987 6282 1 11 . 1 1 28 28 GLU H H 28 9.006 9.006 8.706 0.300 18987 6283 1 11 . 1 1 29 29 PRO HA H 29 5.619 5.619 4.960 0.659 18987 6284 1 11 . 1 1 29 29 PRO C C 29 177.276 177.276 176.268 1.008 18987 6285 1 11 . 1 1 29 29 PRO CA C 29 61.820 61.820 63.233 -1.413 18987 6286 1 11 . 1 1 29 29 PRO CB C 29 31.890 31.890 31.292 0.598 18987 6287 1 11 . 1 1 30 30 ILE N N 30 127.043 127.043 119.915 7.128 18987 6288 1 11 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.485 -0.381 18987 6289 1 11 . 1 1 30 30 ILE C C 30 174.948 174.948 174.110 0.838 18987 6290 1 11 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.400 1.960 18987 6291 1 11 . 1 1 30 30 ILE CB C 30 42.210 42.210 41.417 0.793 18987 6292 1 11 . 1 1 30 30 ILE H H 30 9.148 9.148 8.193 0.955 18987 6293 1 11 . 1 1 31 31 ASP N N 31 128.946 128.946 120.862 8.084 18987 6294 1 11 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.612 -0.720 18987 6295 1 11 . 1 1 31 31 ASP C C 31 176.373 176.373 177.180 -0.807 18987 6296 1 11 . 1 1 31 31 ASP CA C 31 54.600 54.600 55.172 -0.573 18987 6297 1 11 . 1 1 31 31 ASP CB C 31 42.920 42.920 42.362 0.558 18987 6298 1 11 . 1 1 31 31 ASP H H 31 9.092 9.092 8.798 0.294 18987 6299 1 11 . 1 1 32 32 ILE N N 32 127.576 127.576 126.949 0.627 18987 6300 1 11 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.083 0.009 18987 6301 1 11 . 1 1 32 32 ILE C C 32 174.013 174.013 176.503 -2.490 18987 6302 1 11 . 1 1 32 32 ILE CA C 32 62.520 62.520 63.608 -1.088 18987 6303 1 11 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.611 2.139 18987 6304 1 11 . 1 1 32 32 ILE H H 32 9.362 9.362 8.855 0.507 18987 6305 1 11 . 1 1 33 33 VAL N N 33 123.498 123.498 118.296 5.202 18987 6306 1 11 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.745 -0.102 18987 6307 1 11 . 1 1 33 33 VAL C C 33 176.819 176.819 177.840 -1.021 18987 6308 1 11 . 1 1 33 33 VAL CA C 33 65.050 65.050 64.461 0.589 18987 6309 1 11 . 1 1 33 33 VAL CB C 33 31.970 31.970 31.096 0.874 18987 6310 1 11 . 1 1 33 33 VAL H H 33 8.445 8.445 8.062 0.383 18987 6311 1 11 . 1 1 34 34 GLN N N 34 119.897 119.897 118.029 1.868 18987 6312 1 11 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.154 -0.201 18987 6313 1 11 . 1 1 34 34 GLN C C 34 176.734 176.734 176.435 0.299 18987 6314 1 11 . 1 1 34 34 GLN CA C 34 57.540 57.540 57.549 -0.009 18987 6315 1 11 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.203 0.656 18987 6316 1 11 . 1 1 34 34 GLN H H 34 8.650 8.650 8.354 0.296 18987 6317 1 11 . 1 1 35 35 HIS N N 35 118.090 118.090 117.115 0.975 18987 6318 1 11 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.963 0.001 18987 6319 1 11 . 1 1 35 35 HIS C C 35 173.758 173.758 173.929 -0.171 18987 6320 1 11 . 1 1 35 35 HIS CA C 35 53.660 53.660 54.987 -1.327 18987 6321 1 11 . 1 1 35 35 HIS CB C 35 29.190 29.190 30.905 -1.715 18987 6322 1 11 . 1 1 35 35 HIS H H 35 8.178 8.178 7.790 0.388 18987 6323 1 11 . 1 1 36 36 THR N N 36 118.794 118.794 118.346 0.448 18987 6324 1 11 . 1 1 36 36 THR HA H 36 4.142 4.142 4.307 -0.165 18987 6325 1 11 . 1 1 36 36 THR CA C 36 62.080 62.080 62.846 -0.766 18987 6326 1 11 . 1 1 36 36 THR CB C 36 70.180 70.180 68.905 1.275 18987 6327 1 11 . 1 1 36 36 THR H H 36 7.468 7.468 7.568 -0.100 18987 6328 1 11 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.466 -0.191 18987 6329 1 11 . 1 1 37 37 PRO C C 37 174.970 174.970 176.177 -1.207 18987 6330 1 11 . 1 1 37 37 PRO CA C 37 62.970 62.970 61.853 1.117 18987 6331 1 11 . 1 1 37 37 PRO CB C 37 29.430 29.430 32.034 -2.604 18987 6332 1 11 . 1 1 38 38 THR N N 38 111.512 111.512 111.305 0.207 18987 6333 1 11 . 1 1 38 38 THR HA H 38 4.298 4.298 4.395 -0.097 18987 6334 1 11 . 1 1 38 38 THR C C 38 175.756 175.756 176.460 -0.704 18987 6335 1 11 . 1 1 38 38 THR CA C 38 60.700 60.700 61.773 -1.073 18987 6336 1 11 . 1 1 38 38 THR CB C 38 71.560 71.560 70.156 1.404 18987 6337 1 11 . 1 1 38 38 THR H H 38 8.220 8.220 7.983 0.237 18987 6338 1 11 . 1 1 39 39 ILE N N 39 119.950 119.950 120.901 -0.951 18987 6339 1 11 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.875 -0.198 18987 6340 1 11 . 1 1 39 39 ILE C C 39 177.871 177.871 178.281 -0.410 18987 6341 1 11 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.352 1.748 18987 6342 1 11 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.791 0.349 18987 6343 1 11 . 1 1 39 39 ILE H H 39 8.763 8.763 8.507 0.256 18987 6344 1 11 . 1 1 40 40 ASN N N 40 116.189 116.189 117.190 -1.001 18987 6345 1 11 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.464 -0.115 18987 6346 1 11 . 1 1 40 40 ASN C C 40 178.445 178.445 177.564 0.881 18987 6347 1 11 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.157 0.173 18987 6348 1 11 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.957 -0.017 18987 6349 1 11 . 1 1 40 40 ASN H H 40 8.180 8.180 8.174 0.006 18987 6350 1 11 . 1 1 41 41 GLU N N 41 121.970 121.970 120.212 1.758 18987 6351 1 11 . 1 1 41 41 GLU HA H 41 3.915 3.915 4.043 -0.128 18987 6352 1 11 . 1 1 41 41 GLU C C 41 180.093 180.093 179.048 1.045 18987 6353 1 11 . 1 1 41 41 GLU CA C 41 59.590 59.590 58.996 0.594 18987 6354 1 11 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.119 0.631 18987 6355 1 11 . 1 1 41 41 GLU H H 41 7.782 7.782 7.874 -0.092 18987 6356 1 11 . 1 1 42 42 PHE N N 42 118.929 118.929 119.715 -0.786 18987 6357 1 11 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.154 0.016 18987 6358 1 11 . 1 1 42 42 PHE C C 42 178.488 178.488 177.447 1.041 18987 6359 1 11 . 1 1 42 42 PHE CA C 42 63.020 63.020 61.999 1.021 18987 6360 1 11 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.783 0.446 18987 6361 1 11 . 1 1 42 42 PHE H H 42 8.776 8.776 8.445 0.331 18987 6362 1 11 . 1 1 43 43 LYS N N 43 118.820 118.820 118.310 0.510 18987 6363 1 11 . 1 1 43 43 LYS HA H 43 3.795 3.795 4.014 -0.219 18987 6364 1 11 . 1 1 43 43 LYS C C 43 179.816 179.816 179.183 0.633 18987 6365 1 11 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.550 1.600 18987 6366 1 11 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.895 0.345 18987 6367 1 11 . 1 1 43 43 LYS H H 43 8.775 8.775 8.208 0.567 18987 6368 1 11 . 1 1 44 44 THR N N 44 118.754 118.754 117.048 1.706 18987 6369 1 11 . 1 1 44 44 THR HA H 44 3.894 3.894 4.046 -0.152 18987 6370 1 11 . 1 1 44 44 THR C C 44 175.214 175.214 176.381 -1.167 18987 6371 1 11 . 1 1 44 44 THR CA C 44 66.900 66.900 67.640 -0.740 18987 6372 1 11 . 1 1 44 44 THR CB C 44 68.920 68.920 68.776 0.144 18987 6373 1 11 . 1 1 44 44 THR H H 44 7.959 7.959 7.866 0.093 18987 6374 1 11 . 1 1 45 45 ILE N N 45 122.671 122.671 119.487 3.184 18987 6375 1 11 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.817 -0.010 18987 6376 1 11 . 1 1 45 45 ILE C C 45 180.273 180.273 177.634 2.639 18987 6377 1 11 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.829 1.220 18987 6378 1 11 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.371 1.379 18987 6379 1 11 . 1 1 45 45 ILE H H 45 8.100 8.100 7.697 0.403 18987 6380 1 11 . 1 1 46 46 ILE N N 46 123.392 123.392 121.494 1.898 18987 6381 1 11 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.879 -0.354 18987 6382 1 11 . 1 1 46 46 ILE C C 46 178.509 178.509 178.481 0.028 18987 6383 1 11 . 1 1 46 46 ILE CA C 46 65.810 65.810 65.085 0.725 18987 6384 1 11 . 1 1 46 46 ILE CB C 46 38.110 38.110 37.894 0.216 18987 6385 1 11 . 1 1 46 46 ILE H H 46 8.778 8.778 8.168 0.610 18987 6386 1 11 . 1 1 47 47 ALA N N 47 123.336 123.336 121.817 1.519 18987 6387 1 11 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.110 -0.062 18987 6388 1 11 . 1 1 47 47 ALA C C 47 180.114 180.114 178.968 1.146 18987 6389 1 11 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.846 0.054 18987 6390 1 11 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.217 0.113 18987 6391 1 11 . 1 1 47 47 ALA H H 47 8.232 8.232 7.977 0.255 18987 6392 1 11 . 1 1 48 48 ASN N N 48 114.090 114.090 115.773 -1.683 18987 6393 1 11 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.678 -0.188 18987 6394 1 11 . 1 1 48 48 ASN C C 48 177.776 177.776 177.796 -0.020 18987 6395 1 11 . 1 1 48 48 ASN CA C 48 55.070 55.070 55.453 -0.383 18987 6396 1 11 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.257 -0.587 18987 6397 1 11 . 1 1 48 48 ASN H H 48 8.464 8.464 8.111 0.353 18987 6398 1 11 . 1 1 49 49 THR N N 49 106.742 106.742 110.666 -3.924 18987 6399 1 11 . 1 1 49 49 THR HA H 49 4.471 4.471 4.581 -0.110 18987 6400 1 11 . 1 1 49 49 THR C C 49 176.968 176.968 176.160 0.808 18987 6401 1 11 . 1 1 49 49 THR CA C 49 62.550 62.550 63.189 -0.639 18987 6402 1 11 . 1 1 49 49 THR CB C 49 72.150 72.150 70.822 1.328 18987 6403 1 11 . 1 1 49 49 THR H H 49 8.035 8.035 8.080 -0.045 18987 6404 1 11 . 1 1 50 50 GLY N N 50 112.246 112.246 112.190 0.056 18987 6405 1 11 . 1 1 50 50 GLY C C 50 174.055 174.055 174.181 -0.126 18987 6406 1 11 . 1 1 50 50 GLY CA C 50 45.940 45.940 45.180 0.760 18987 6407 1 11 . 1 1 50 50 GLY H H 50 8.323 8.323 8.046 0.277 18987 6408 1 11 . 1 1 51 51 VAL N N 51 121.212 121.212 119.674 1.538 18987 6409 1 11 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.243 -0.368 18987 6410 1 11 . 1 1 51 51 VAL C C 51 173.120 173.120 175.789 -2.669 18987 6411 1 11 . 1 1 51 51 VAL CA C 51 61.380 61.380 60.835 0.545 18987 6412 1 11 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.946 -2.055 18987 6413 1 11 . 1 1 51 51 VAL H H 51 7.429 7.429 7.443 -0.014 18987 6414 1 11 . 1 1 52 52 GLU N N 52 126.158 126.158 126.086 0.072 18987 6415 1 11 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.256 -0.147 18987 6416 1 11 . 1 1 52 52 GLU C C 52 178.190 178.190 176.651 1.539 18987 6417 1 11 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.869 -0.629 18987 6418 1 11 . 1 1 52 52 GLU CB C 52 30.190 30.190 29.714 0.476 18987 6419 1 11 . 1 1 52 52 GLU H H 52 7.881 7.881 8.540 -0.659 18987 6420 1 11 . 1 1 53 53 ILE N N 53 125.807 125.807 125.917 -0.110 18987 6421 1 11 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.862 -0.438 18987 6422 1 11 . 1 1 53 53 ILE C C 53 177.425 177.425 176.456 0.969 18987 6423 1 11 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.164 2.616 18987 6424 1 11 . 1 1 53 53 ILE CB C 53 37.960 37.960 37.981 -0.021 18987 6425 1 11 . 1 1 53 53 ILE H H 53 8.430 8.430 8.870 -0.440 18987 6426 1 11 . 1 1 54 54 ASN N N 54 116.588 116.588 117.289 -0.701 18987 6427 1 11 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.691 -0.235 18987 6428 1 11 . 1 1 54 54 ASN C C 54 178.807 178.807 177.153 1.654 18987 6429 1 11 . 1 1 54 54 ASN CA C 54 55.770 55.770 55.853 -0.083 18987 6430 1 11 . 1 1 54 54 ASN CB C 54 37.140 37.140 37.452 -0.312 18987 6431 1 11 . 1 1 54 54 ASN H H 54 8.585 8.585 8.567 0.018 18987 6432 1 11 . 1 1 55 55 LYS N N 55 117.013 117.013 118.300 -1.287 18987 6433 1 11 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.238 -0.136 18987 6434 1 11 . 1 1 55 55 LYS C C 55 176.819 176.819 177.503 -0.684 18987 6435 1 11 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.266 -0.706 18987 6436 1 11 . 1 1 55 55 LYS CB C 55 32.180 32.180 31.898 0.281 18987 6437 1 11 . 1 1 55 55 LYS H H 55 7.661 7.661 8.330 -0.669 18987 6438 1 11 . 1 1 56 56 LEU N N 56 114.768 114.768 118.743 -3.975 18987 6439 1 11 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.185 -0.258 18987 6440 1 11 . 1 1 56 56 LEU C C 56 176.702 176.702 176.891 -0.189 18987 6441 1 11 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.718 0.202 18987 6442 1 11 . 1 1 56 56 LEU CB C 56 42.020 42.020 41.725 0.295 18987 6443 1 11 . 1 1 56 56 LEU H H 56 7.690 7.690 7.253 0.437 18987 6444 1 11 . 1 1 57 57 PHE N N 57 114.558 114.558 117.547 -2.989 18987 6445 1 11 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.783 -0.335 18987 6446 1 11 . 1 1 57 57 PHE C C 57 176.319 176.319 176.576 -0.257 18987 6447 1 11 . 1 1 57 57 PHE CA C 57 58.470 58.470 58.677 -0.207 18987 6448 1 11 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.962 0.738 18987 6449 1 11 . 1 1 57 57 PHE H H 57 7.032 7.032 7.591 -0.559 18987 6450 1 11 . 1 1 58 58 ASN N N 58 118.674 118.674 121.101 -2.427 18987 6451 1 11 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.522 -0.036 18987 6452 1 11 . 1 1 58 58 ASN CA C 58 51.540 51.540 54.131 -2.591 18987 6453 1 11 . 1 1 58 58 ASN CB C 58 36.910 36.910 38.378 -1.468 18987 6454 1 11 . 1 1 58 58 ASN H H 58 8.659 8.659 8.530 0.129 18987 6455 1 11 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.483 0.079 18987 6456 1 11 . 1 1 60 60 HIS C C 60 176.309 176.309 175.792 0.517 18987 6457 1 11 . 1 1 60 60 HIS CA C 60 55.920 55.920 55.000 0.920 18987 6458 1 11 . 1 1 60 60 HIS CB C 60 30.890 30.890 29.428 1.462 18987 6459 1 11 . 1 1 61 61 GLY N N 61 106.925 106.925 114.671 -7.746 18987 6460 1 11 . 1 1 61 61 GLY CA C 61 45.180 45.180 45.183 -0.003 18987 6461 1 11 . 1 1 61 61 GLY H H 61 7.284 7.284 7.980 -0.696 18987 6462 1 11 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.112 -0.064 18987 6463 1 11 . 1 1 63 63 LYS C C 63 177.435 177.435 179.018 -1.583 18987 6464 1 11 . 1 1 63 63 LYS CA C 63 58.300 58.300 59.023 -0.723 18987 6465 1 11 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.550 -1.390 18987 6466 1 11 . 1 1 64 64 TYR N N 64 119.737 119.737 120.746 -1.009 18987 6467 1 11 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.122 -0.466 18987 6468 1 11 . 1 1 64 64 TYR C C 64 178.339 178.339 175.907 2.432 18987 6469 1 11 . 1 1 64 64 TYR CA C 64 61.610 61.610 61.930 -0.320 18987 6470 1 11 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.829 0.071 18987 6471 1 11 . 1 1 64 64 TYR H H 64 7.644 7.644 7.937 -0.293 18987 6472 1 11 . 1 1 65 65 ARG N N 65 118.236 118.236 115.618 2.618 18987 6473 1 11 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.413 -0.203 18987 6474 1 11 . 1 1 65 65 ARG C C 65 179.816 179.816 177.541 2.275 18987 6475 1 11 . 1 1 65 65 ARG CA C 65 59.090 59.090 57.208 1.883 18987 6476 1 11 . 1 1 65 65 ARG CB C 65 30.160 30.160 30.098 0.062 18987 6477 1 11 . 1 1 65 65 ARG H H 65 7.358 7.358 7.706 -0.348 18987 6478 1 11 . 1 1 66 66 GLU N N 66 123.063 123.063 120.847 2.216 18987 6479 1 11 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.219 -0.302 18987 6480 1 11 . 1 1 66 66 GLU C C 66 178.626 178.626 177.560 1.066 18987 6481 1 11 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.772 0.678 18987 6482 1 11 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.926 -0.236 18987 6483 1 11 . 1 1 66 66 GLU H H 66 8.789 8.789 7.950 0.839 18987 6484 1 11 . 1 1 67 67 LEU N N 67 115.817 115.817 117.884 -2.067 18987 6485 1 11 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.365 -0.235 18987 6486 1 11 . 1 1 67 67 LEU C C 67 176.171 176.171 176.014 0.157 18987 6487 1 11 . 1 1 67 67 LEU CA C 67 54.750 54.750 54.714 0.036 18987 6488 1 11 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.012 0.008 18987 6489 1 11 . 1 1 67 67 LEU H H 67 7.907 7.907 7.631 0.276 18987 6490 1 11 . 1 1 68 68 ASP N N 68 118.063 118.063 114.861 3.202 18987 6491 1 11 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.180 0.234 18987 6492 1 11 . 1 1 68 68 ASP C C 68 177.521 177.521 176.567 0.954 18987 6493 1 11 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.695 -0.295 18987 6494 1 11 . 1 1 68 68 ASP CB C 68 39.640 39.640 38.335 1.305 18987 6495 1 11 . 1 1 68 68 ASP H H 68 7.878 7.878 8.077 -0.199 18987 6496 1 11 . 1 1 69 69 LEU N N 69 115.724 115.724 118.649 -2.925 18987 6497 1 11 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.750 -0.311 18987 6498 1 11 . 1 1 69 69 LEU C C 69 177.584 177.584 178.296 -0.712 18987 6499 1 11 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.115 0.365 18987 6500 1 11 . 1 1 69 69 LEU CB C 69 38.700 38.700 40.838 -2.138 18987 6501 1 11 . 1 1 69 69 LEU H H 69 7.285 7.285 7.497 -0.212 18987 6502 1 11 . 1 1 70 70 LYS N N 70 119.751 119.751 118.585 1.166 18987 6503 1 11 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.568 0.393 18987 6504 1 11 . 1 1 70 70 LYS C C 70 177.903 177.903 178.376 -0.473 18987 6505 1 11 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.671 0.809 18987 6506 1 11 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.617 0.363 18987 6507 1 11 . 1 1 70 70 LYS H H 70 8.601 8.601 7.351 1.250 18987 6508 1 11 . 1 1 71 71 ASN N N 71 113.386 113.386 116.251 -2.865 18987 6509 1 11 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.580 0.146 18987 6510 1 11 . 1 1 71 71 ASN C C 71 176.808 176.808 176.867 -0.059 18987 6511 1 11 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.778 -1.408 18987 6512 1 11 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.589 1.371 18987 6513 1 11 . 1 1 71 71 ASN H H 71 6.965 6.965 7.867 -0.902 18987 6514 1 11 . 1 1 72 72 LYS N N 72 118.475 118.475 119.101 -0.626 18987 6515 1 11 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.151 -0.002 18987 6516 1 11 . 1 1 72 72 LYS C C 72 178.849 178.849 178.111 0.738 18987 6517 1 11 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.512 -0.592 18987 6518 1 11 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.826 1.204 18987 6519 1 11 . 1 1 72 72 LYS H H 72 8.113 8.113 7.455 0.658 18987 6520 1 11 . 1 1 73 73 LEU N N 73 120.458 120.458 120.005 0.453 18987 6521 1 11 . 1 1 73 73 LEU HA H 73 3.599 3.599 3.932 -0.333 18987 6522 1 11 . 1 1 73 73 LEU C C 73 178.126 178.126 178.376 -0.250 18987 6523 1 11 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.076 1.754 18987 6524 1 11 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.596 -0.696 18987 6525 1 11 . 1 1 73 73 LEU H H 73 8.549 8.549 8.018 0.531 18987 6526 1 11 . 1 1 74 74 GLN N N 74 112.719 112.719 115.386 -2.667 18987 6527 1 11 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.084 0.094 18987 6528 1 11 . 1 1 74 74 GLN C C 74 176.883 176.883 177.282 -0.399 18987 6529 1 11 . 1 1 74 74 GLN CA C 74 57.250 57.250 57.975 -0.725 18987 6530 1 11 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.561 -0.131 18987 6531 1 11 . 1 1 74 74 GLN H H 74 7.918 7.918 7.749 0.169 18987 6532 1 11 . 1 1 75 75 THR N N 75 108.336 108.336 113.221 -4.885 18987 6533 1 11 . 1 1 75 75 THR HA H 75 4.410 4.410 4.428 -0.018 18987 6534 1 11 . 1 1 75 75 THR C C 75 174.619 174.619 175.006 -0.387 18987 6535 1 11 . 1 1 75 75 THR CA C 75 61.760 61.760 62.104 -0.344 18987 6536 1 11 . 1 1 75 75 THR CB C 75 69.950 69.950 70.040 -0.090 18987 6537 1 11 . 1 1 75 75 THR H H 75 7.620 7.620 7.523 0.097 18987 6538 1 11 . 1 1 76 76 LEU N N 76 122.754 122.754 120.899 1.855 18987 6539 1 11 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.532 -0.044 18987 6540 1 11 . 1 1 76 76 LEU C C 76 177.234 177.234 176.393 0.841 18987 6541 1 11 . 1 1 76 76 LEU CA C 76 54.190 54.190 53.919 0.271 18987 6542 1 11 . 1 1 76 76 LEU CB C 76 44.040 44.040 42.157 1.883 18987 6543 1 11 . 1 1 76 76 LEU H H 76 7.191 7.191 7.726 -0.535 18987 6544 1 11 . 1 1 77 77 SER N N 77 119.431 119.431 115.194 4.237 18987 6545 1 11 . 1 1 77 77 SER HA H 77 4.465 4.465 4.497 -0.032 18987 6546 1 11 . 1 1 77 77 SER C C 77 175.320 175.320 175.678 -0.358 18987 6547 1 11 . 1 1 77 77 SER CA C 77 57.360 57.360 58.134 -0.774 18987 6548 1 11 . 1 1 77 77 SER CB C 77 65.080 65.080 64.771 0.309 18987 6549 1 11 . 1 1 77 77 SER H H 77 9.367 9.367 8.331 1.036 18987 6550 1 11 . 1 1 78 78 ASP N N 78 122.766 122.766 122.786 -0.020 18987 6551 1 11 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.346 -0.151 18987 6552 1 11 . 1 1 78 78 ASP C C 78 178.211 178.211 178.128 0.083 18987 6553 1 11 . 1 1 78 78 ASP CA C 78 58.470 58.470 58.534 -0.064 18987 6554 1 11 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.803 -1.343 18987 6555 1 11 . 1 1 78 78 ASP H H 78 9.055 9.055 8.918 0.137 18987 6556 1 11 . 1 1 79 79 ASP N N 79 117.917 117.917 118.002 -0.085 18987 6557 1 11 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.377 -0.102 18987 6558 1 11 . 1 1 79 79 ASP C C 79 179.179 179.179 178.091 1.088 18987 6559 1 11 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.232 0.768 18987 6560 1 11 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.750 -0.440 18987 6561 1 11 . 1 1 79 79 ASP H H 79 8.245 8.245 8.708 -0.463 18987 6562 1 11 . 1 1 80 80 GLU N N 80 120.229 120.229 118.675 1.554 18987 6563 1 11 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.312 -0.395 18987 6564 1 11 . 1 1 80 80 GLU C C 80 180.369 180.369 178.987 1.382 18987 6565 1 11 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.847 0.453 18987 6566 1 11 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.625 1.295 18987 6567 1 11 . 1 1 80 80 GLU H H 80 7.732 7.732 7.613 0.119 18987 6568 1 11 . 1 1 81 81 LYS N N 81 120.163 120.163 120.150 0.013 18987 6569 1 11 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.324 -0.478 18987 6570 1 11 . 1 1 81 81 LYS C C 81 177.956 177.956 179.119 -1.163 18987 6571 1 11 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.616 1.324 18987 6572 1 11 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.550 1.070 18987 6573 1 11 . 1 1 81 81 LYS H H 81 8.340 8.340 7.662 0.678 18987 6574 1 11 . 1 1 82 82 LEU N N 82 117.478 117.478 119.685 -2.207 18987 6575 1 11 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.684 -0.011 18987 6576 1 11 . 1 1 82 82 LEU C C 82 178.870 178.870 178.684 0.186 18987 6577 1 11 . 1 1 82 82 LEU CA C 82 57.770 57.770 58.194 -0.424 18987 6578 1 11 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.619 0.131 18987 6579 1 11 . 1 1 82 82 LEU H H 82 8.161 8.161 7.883 0.278 18987 6580 1 11 . 1 1 83 83 GLU N N 83 119.824 119.824 119.291 0.533 18987 6581 1 11 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.954 -0.214 18987 6582 1 11 . 1 1 83 83 GLU C C 83 179.009 179.009 179.360 -0.351 18987 6583 1 11 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.494 -0.014 18987 6584 1 11 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.455 -0.115 18987 6585 1 11 . 1 1 83 83 GLU H H 83 7.999 7.999 7.844 0.155 18987 6586 1 11 . 1 1 84 84 LEU N N 84 119.684 119.684 119.978 -0.294 18987 6587 1 11 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.930 0.012 18987 6588 1 11 . 1 1 84 84 LEU C C 84 179.264 179.264 178.991 0.273 18987 6589 1 11 . 1 1 84 84 LEU CA C 84 58.090 58.090 58.041 0.049 18987 6590 1 11 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.923 0.387 18987 6591 1 11 . 1 1 84 84 LEU H H 84 7.470 7.470 7.704 -0.234 18987 6592 1 11 . 1 1 85 85 LEU N N 85 119.086 119.086 118.126 0.960 18987 6593 1 11 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.636 -0.252 18987 6594 1 11 . 1 1 85 85 LEU C C 85 176.064 176.064 179.120 -3.056 18987 6595 1 11 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.231 0.629 18987 6596 1 11 . 1 1 85 85 LEU CB C 85 42.360 42.360 40.939 1.421 18987 6597 1 11 . 1 1 85 85 LEU H H 85 7.726 7.726 7.656 0.070 18987 6598 1 11 . 1 1 86 86 SER N N 86 105.708 105.708 112.763 -7.055 18987 6599 1 11 . 1 1 86 86 SER HA H 86 4.283 4.283 4.608 -0.325 18987 6600 1 11 . 1 1 86 86 SER C C 86 176.351 176.351 175.849 0.502 18987 6601 1 11 . 1 1 86 86 SER CA C 86 60.380 60.380 60.497 -0.117 18987 6602 1 11 . 1 1 86 86 SER CB C 86 64.400 64.400 63.418 0.982 18987 6603 1 11 . 1 1 86 86 SER H H 86 7.617 7.617 7.710 -0.093 18987 6604 1 11 . 1 1 87 87 SER N N 87 115.392 115.392 115.924 -0.532 18987 6605 1 11 . 1 1 87 87 SER HA H 87 4.345 4.345 4.403 -0.058 18987 6606 1 11 . 1 1 87 87 SER C C 87 174.534 174.534 174.746 -0.212 18987 6607 1 11 . 1 1 87 87 SER CA C 87 59.820 59.820 60.706 -0.886 18987 6608 1 11 . 1 1 87 87 SER CB C 87 64.340 64.340 63.841 0.499 18987 6609 1 11 . 1 1 87 87 SER H H 87 7.644 7.644 7.773 -0.129 18987 6610 1 11 . 1 1 88 88 ASP N N 88 120.295 120.295 119.574 0.721 18987 6611 1 11 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.807 -0.203 18987 6612 1 11 . 1 1 88 88 ASP C C 88 175.618 175.618 175.854 -0.236 18987 6613 1 11 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.751 0.259 18987 6614 1 11 . 1 1 88 88 ASP CB C 88 41.020 41.020 44.054 -3.034 18987 6615 1 11 . 1 1 88 88 ASP H H 88 7.104 7.104 7.773 -0.669 18987 6616 1 11 . 1 1 89 89 GLY N N 89 111.841 111.841 109.938 1.903 18987 6617 1 11 . 1 1 89 89 GLY C C 89 176.171 176.171 174.898 1.273 18987 6618 1 11 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.578 1.102 18987 6619 1 11 . 1 1 89 89 GLY H H 89 9.325 9.325 8.579 0.746 18987 6620 1 11 . 1 1 90 90 MET N N 90 117.877 117.877 117.485 0.392 18987 6621 1 11 . 1 1 90 90 MET HA H 90 4.075 4.075 4.303 -0.228 18987 6622 1 11 . 1 1 90 90 MET C C 90 178.456 178.456 178.383 0.073 18987 6623 1 11 . 1 1 90 90 MET CA C 90 56.400 56.400 56.476 -0.076 18987 6624 1 11 . 1 1 90 90 MET CB C 90 30.540 30.540 31.657 -1.117 18987 6625 1 11 . 1 1 90 90 MET H H 90 8.593 8.593 7.817 0.776 18987 6626 1 11 . 1 1 91 91 LEU N N 91 118.027 118.027 119.169 -1.142 18987 6627 1 11 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.185 0.094 18987 6628 1 11 . 1 1 91 91 LEU C C 91 176.298 176.298 176.709 -0.411 18987 6629 1 11 . 1 1 91 91 LEU CA C 91 55.460 55.460 56.561 -1.101 18987 6630 1 11 . 1 1 91 91 LEU CB C 91 43.130 43.130 41.814 1.316 18987 6631 1 11 . 1 1 91 91 LEU H H 91 8.224 8.224 7.217 1.007 18987 6632 1 11 . 1 1 92 92 VAL N N 92 120.960 120.960 116.998 3.962 18987 6633 1 11 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.218 -0.217 18987 6634 1 11 . 1 1 92 92 VAL C C 92 175.990 175.990 176.321 -0.331 18987 6635 1 11 . 1 1 92 92 VAL CA C 92 61.150 61.150 62.051 -0.901 18987 6636 1 11 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.534 -0.264 18987 6637 1 11 . 1 1 92 92 VAL H H 92 7.093 7.093 7.084 0.009 18987 6638 1 11 . 1 1 93 93 LYS N N 93 130.687 130.687 125.812 4.875 18987 6639 1 11 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.155 -0.449 18987 6640 1 11 . 1 1 93 93 LYS C C 93 171.855 171.855 177.070 -5.215 18987 6641 1 11 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.490 1.430 18987 6642 1 11 . 1 1 93 93 LYS CB C 93 32.800 32.800 31.516 1.284 18987 6643 1 11 . 1 1 93 93 LYS H H 93 8.442 8.442 8.145 0.297 18987 6644 1 11 . 1 1 94 94 ARG N N 94 115.791 115.791 123.567 -7.776 18987 6645 1 11 . 1 1 94 94 ARG H H 94 7.676 7.676 8.314 -0.638 18987 6646 1 11 . 1 1 95 95 PRO C C 95 175.108 175.108 175.252 -0.144 18987 6647 1 11 . 1 1 96 96 LEU N N 96 128.494 128.494 125.833 2.661 18987 6648 1 11 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.530 -0.549 18987 6649 1 11 . 1 1 96 96 LEU C C 96 173.216 173.216 174.342 -1.126 18987 6650 1 11 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.270 1.600 18987 6651 1 11 . 1 1 96 96 LEU CB C 96 43.660 43.660 47.002 -3.342 18987 6652 1 11 . 1 1 96 96 LEU H H 96 8.246 8.246 8.348 -0.102 18987 6653 1 11 . 1 1 97 97 ALA N N 97 131.035 131.035 126.828 4.207 18987 6654 1 11 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.372 0.498 18987 6655 1 11 . 1 1 97 97 ALA C C 97 174.938 174.938 175.015 -0.077 18987 6656 1 11 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.436 -1.586 18987 6657 1 11 . 1 1 97 97 ALA CB C 97 20.070 20.070 22.159 -2.089 18987 6658 1 11 . 1 1 97 97 ALA H H 97 8.839 8.839 8.944 -0.105 18987 6659 1 11 . 1 1 98 98 VAL N N 98 119.830 119.830 124.589 -4.759 18987 6660 1 11 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.479 0.077 18987 6661 1 11 . 1 1 98 98 VAL C C 98 173.896 173.896 173.675 0.221 18987 6662 1 11 . 1 1 98 98 VAL CA C 98 59.270 59.270 59.753 -0.483 18987 6663 1 11 . 1 1 98 98 VAL CB C 98 35.970 35.970 36.431 -0.461 18987 6664 1 11 . 1 1 98 98 VAL H H 98 8.824 8.824 8.718 0.106 18987 6665 1 11 . 1 1 99 99 MET N N 99 127.537 127.537 124.815 2.722 18987 6666 1 11 . 1 1 99 99 MET HA H 99 4.430 4.430 4.949 -0.519 18987 6667 1 11 . 1 1 99 99 MET CA C 99 56.710 56.710 54.062 2.648 18987 6668 1 11 . 1 1 99 99 MET CB C 99 31.050 31.050 36.174 -5.124 18987 6669 1 11 . 1 1 99 99 MET H H 99 8.873 8.873 8.916 -0.043 18987 6670 1 11 . 1 1 100 100 GLY C C 100 173.024 173.024 174.504 -1.480 18987 6671 1 11 . 1 1 100 100 GLY CA C 100 47.970 47.970 47.062 0.909 18987 6672 1 11 . 1 1 101 101 ASP N N 101 124.308 124.308 115.030 9.278 18987 6673 1 11 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.961 -0.762 18987 6674 1 11 . 1 1 101 101 ASP C C 101 175.172 175.172 175.756 -0.584 18987 6675 1 11 . 1 1 101 101 ASP CA C 101 53.310 53.310 53.458 -0.148 18987 6676 1 11 . 1 1 101 101 ASP CB C 101 40.170 40.170 41.919 -1.749 18987 6677 1 11 . 1 1 101 101 ASP H H 101 8.257 8.257 8.566 -0.309 18987 6678 1 11 . 1 1 102 102 LYS N N 102 121.002 121.002 119.593 1.409 18987 6679 1 11 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.674 -0.268 18987 6680 1 11 . 1 1 102 102 LYS C C 102 174.257 174.257 174.091 0.166 18987 6681 1 11 . 1 1 102 102 LYS CA C 102 55.370 55.370 55.230 0.140 18987 6682 1 11 . 1 1 102 102 LYS CB C 102 36.230 36.230 35.253 0.977 18987 6683 1 11 . 1 1 102 102 LYS H H 102 8.108 8.108 7.891 0.217 18987 6684 1 11 . 1 1 103 103 ILE N N 103 118.488 118.488 120.519 -2.031 18987 6685 1 11 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.199 0.660 18987 6686 1 11 . 1 1 103 103 ILE C C 103 173.652 173.652 174.184 -0.532 18987 6687 1 11 . 1 1 103 103 ILE CA C 103 58.620 58.620 59.908 -1.288 18987 6688 1 11 . 1 1 103 103 ILE CB C 103 42.250 42.250 41.932 0.318 18987 6689 1 11 . 1 1 103 103 ILE H H 103 8.038 8.038 8.214 -0.176 18987 6690 1 11 . 1 1 104 104 THR N N 104 115.441 115.441 118.671 -3.230 18987 6691 1 11 . 1 1 104 104 THR HA H 104 4.524 4.524 4.744 -0.220 18987 6692 1 11 . 1 1 104 104 THR C C 104 173.503 173.503 173.007 0.496 18987 6693 1 11 . 1 1 104 104 THR CA C 104 60.660 60.660 60.739 -0.079 18987 6694 1 11 . 1 1 104 104 THR CB C 104 72.460 72.460 71.767 0.693 18987 6695 1 11 . 1 1 104 104 THR H H 104 9.360 9.360 9.163 0.197 18987 6696 1 11 . 1 1 105 105 LEU N N 105 123.352 123.352 125.978 -2.626 18987 6697 1 11 . 1 1 105 105 LEU HA H 105 5.023 5.023 4.929 0.094 18987 6698 1 11 . 1 1 105 105 LEU C C 105 178.860 178.860 178.279 0.581 18987 6699 1 11 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.361 -1.321 18987 6700 1 11 . 1 1 105 105 LEU CB C 105 44.290 44.290 43.810 0.480 18987 6701 1 11 . 1 1 105 105 LEU H H 105 8.857 8.857 8.603 0.254 18987 6702 1 11 . 1 1 106 106 GLY N N 106 108.363 108.363 112.642 -4.279 18987 6703 1 11 . 1 1 106 106 GLY C C 106 172.100 172.100 173.967 -1.867 18987 6704 1 11 . 1 1 106 106 GLY CA C 106 44.870 44.870 44.846 0.023 18987 6705 1 11 . 1 1 106 106 GLY H H 106 8.241 8.241 8.607 -0.366 18987 6706 1 11 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.645 0.043 18987 6707 1 11 . 1 1 107 107 PHE CA C 107 58.000 58.000 57.703 0.297 18987 6708 1 11 . 1 1 107 107 PHE CB C 107 41.620 41.620 38.764 2.856 18987 6709 1 11 . 1 1 108 108 LYS N N 108 129.677 129.677 128.229 1.448 18987 6710 1 11 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.247 -0.345 18987 6711 1 11 . 1 1 108 108 LYS CA C 108 54.650 54.650 54.212 0.438 18987 6712 1 11 . 1 1 108 108 LYS CB C 108 34.130 34.130 31.946 2.184 18987 6713 1 11 . 1 1 108 108 LYS H H 108 7.351 7.351 7.237 0.114 18987 6714 1 11 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.204 -0.244 18987 6715 1 11 . 1 1 109 109 GLU C C 109 177.255 177.255 176.628 0.627 18987 6716 1 11 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.874 0.966 18987 6717 1 11 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.406 -0.106 18987 6718 1 11 . 1 1 110 110 ASP N N 110 115.831 115.831 119.208 -3.377 18987 6719 1 11 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.242 -0.085 18987 6720 1 11 . 1 1 110 110 ASP C C 110 178.456 178.456 178.177 0.279 18987 6721 1 11 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.166 -0.256 18987 6722 1 11 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.055 -0.845 18987 6723 1 11 . 1 1 110 110 ASP H H 110 8.654 8.654 8.420 0.234 18987 6724 1 11 . 1 1 111 111 GLN N N 111 119.458 119.458 117.808 1.650 18987 6725 1 11 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.963 0.118 18987 6726 1 11 . 1 1 111 111 GLN C C 111 179.189 179.189 178.103 1.086 18987 6727 1 11 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.475 -0.335 18987 6728 1 11 . 1 1 111 111 GLN CB C 111 28.850 28.850 27.862 0.988 18987 6729 1 11 . 1 1 111 111 GLN H H 111 6.993 6.993 8.215 -1.222 18987 6730 1 11 . 1 1 112 112 TYR N N 112 124.973 124.973 119.933 5.040 18987 6731 1 11 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.172 -0.245 18987 6732 1 11 . 1 1 112 112 TYR C C 112 178.254 178.254 177.928 0.326 18987 6733 1 11 . 1 1 112 112 TYR CA C 112 62.690 62.690 59.767 2.924 18987 6734 1 11 . 1 1 112 112 TYR CB C 112 36.660 36.660 37.618 -0.958 18987 6735 1 11 . 1 1 112 112 TYR H H 112 8.289 8.289 7.873 0.416 18987 6736 1 11 . 1 1 113 113 LYS N N 113 118.329 118.329 118.865 -0.536 18987 6737 1 11 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.180 -0.267 18987 6738 1 11 . 1 1 113 113 LYS C C 113 178.296 178.296 178.008 0.288 18987 6739 1 11 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.427 1.653 18987 6740 1 11 . 1 1 113 113 LYS CB C 113 32.810 32.810 31.938 0.872 18987 6741 1 11 . 1 1 113 113 LYS H H 113 8.310 8.310 7.999 0.311 18987 6742 1 11 . 1 1 114 114 GLU N N 114 115.605 115.605 119.839 -4.234 18987 6743 1 11 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.220 -0.324 18987 6744 1 11 . 1 1 114 114 GLU C C 114 177.308 177.308 177.973 -0.665 18987 6745 1 11 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.748 -0.438 18987 6746 1 11 . 1 1 114 114 GLU CB C 114 30.140 30.140 29.930 0.210 18987 6747 1 11 . 1 1 114 114 GLU H H 114 7.603 7.603 7.930 -0.327 18987 6748 1 11 . 1 1 115 115 THR N N 115 112.256 112.256 112.906 -0.650 18987 6749 1 11 . 1 1 115 115 THR HA H 115 3.666 3.666 4.143 -0.477 18987 6750 1 11 . 1 1 115 115 THR C C 115 174.672 174.672 175.704 -1.032 18987 6751 1 11 . 1 1 115 115 THR CA C 115 65.710 65.710 64.218 1.492 18987 6752 1 11 . 1 1 115 115 THR CB C 115 68.700 68.700 69.577 -0.877 18987 6753 1 11 . 1 1 115 115 THR H H 115 7.591 7.591 7.749 -0.158 18987 6754 1 11 . 1 1 116 116 TRP N N 116 116.495 116.495 120.991 -4.496 18987 6755 1 11 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.552 0.751 18987 6756 1 11 . 1 1 116 116 TRP C C 116 176.553 176.553 176.955 -0.402 18987 6757 1 11 . 1 1 116 116 TRP CA C 116 55.620 55.620 58.382 -2.762 18987 6758 1 11 . 1 1 116 116 TRP CB C 116 31.430 31.430 30.097 1.333 18987 6759 1 11 . 1 1 116 116 TRP H H 116 7.661 7.661 7.660 0.001 18987 6760 1 11 . 1 1 117 117 LEU N N 117 116.588 116.588 118.393 -1.805 18987 6761 1 11 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.716 -0.114 18987 6762 1 11 . 1 1 117 117 LEU C C 117 175.788 175.788 176.993 -1.205 18987 6763 1 11 . 1 1 117 117 LEU CA C 117 53.860 53.860 53.881 -0.021 18987 6764 1 11 . 1 1 117 117 LEU CB C 117 40.880 40.880 43.493 -2.613 18987 6765 1 11 . 1 1 117 117 LEU H H 117 6.922 6.922 7.417 -0.495 18987 6766 1 12 . 1 1 2 2 ILE N N 2 124.348 124.348 122.538 1.810 18987 6767 1 12 . 1 1 2 2 ILE HA H 2 3.576 3.576 3.811 -0.235 18987 6768 1 12 . 1 1 2 2 ILE C C 2 175.884 175.884 176.383 -0.499 18987 6769 1 12 . 1 1 2 2 ILE CA C 2 62.790 62.790 62.149 0.641 18987 6770 1 12 . 1 1 2 2 ILE CB C 2 40.400 40.400 36.894 3.506 18987 6771 1 12 . 1 1 2 2 ILE H H 2 7.539 7.539 8.079 -0.540 18987 6772 1 12 . 1 1 3 3 LYS N N 3 128.600 128.600 128.633 -0.033 18987 6773 1 12 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.128 0.207 18987 6774 1 12 . 1 1 3 3 LYS C C 3 173.322 173.322 176.047 -2.725 18987 6775 1 12 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.766 1.864 18987 6776 1 12 . 1 1 3 3 LYS CB C 3 32.800 32.800 30.333 2.467 18987 6777 1 12 . 1 1 3 3 LYS H H 3 8.524 8.524 8.468 0.056 18987 6778 1 12 . 1 1 4 4 PHE N N 4 128.560 128.560 127.536 1.024 18987 6779 1 12 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.795 0.040 18987 6780 1 12 . 1 1 4 4 PHE C C 4 172.546 172.546 174.102 -1.556 18987 6781 1 12 . 1 1 4 4 PHE CA C 4 56.570 56.570 56.011 0.559 18987 6782 1 12 . 1 1 4 4 PHE CB C 4 42.600 42.600 38.720 3.880 18987 6783 1 12 . 1 1 4 4 PHE H H 4 8.412 8.412 8.008 0.404 18987 6784 1 12 . 1 1 5 5 TYR N N 5 125.785 125.785 128.024 -2.239 18987 6785 1 12 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.464 -0.338 18987 6786 1 12 . 1 1 5 5 TYR C C 5 175.852 175.852 175.011 0.841 18987 6787 1 12 . 1 1 5 5 TYR CA C 5 57.980 57.980 57.956 0.024 18987 6788 1 12 . 1 1 5 5 TYR CB C 5 38.550 38.550 39.005 -0.455 18987 6789 1 12 . 1 1 5 5 TYR H H 5 9.313 9.313 8.464 0.849 18987 6790 1 12 . 1 1 6 6 GLN N N 6 117.436 117.436 120.947 -3.511 18987 6791 1 12 . 1 1 6 6 GLN HA H 6 4.622 4.622 4.922 -0.300 18987 6792 1 12 . 1 1 6 6 GLN C C 6 171.951 171.951 173.643 -1.692 18987 6793 1 12 . 1 1 6 6 GLN CA C 6 53.430 53.430 53.474 -0.044 18987 6794 1 12 . 1 1 6 6 GLN CB C 6 30.490 30.490 33.060 -2.570 18987 6795 1 12 . 1 1 6 6 GLN H H 6 9.110 9.110 8.442 0.668 18987 6796 1 12 . 1 1 7 7 TYR N N 7 116.309 116.309 120.953 -4.644 18987 6797 1 12 . 1 1 7 7 TYR HA H 7 4.953 4.953 4.806 0.147 18987 6798 1 12 . 1 1 7 7 TYR CA C 7 56.130 56.130 58.393 -2.263 18987 6799 1 12 . 1 1 7 7 TYR CB C 7 42.860 42.860 41.386 1.474 18987 6800 1 12 . 1 1 7 7 TYR H H 7 7.075 7.075 8.395 -1.320 18987 6801 1 12 . 1 1 12 12 THR HA H 12 3.868 3.868 3.951 -0.083 18987 6802 1 12 . 1 1 12 12 THR C C 12 176.203 176.203 176.596 -0.393 18987 6803 1 12 . 1 1 12 12 THR CA C 12 65.930 65.930 66.388 -0.458 18987 6804 1 12 . 1 1 12 12 THR CB C 12 68.630 68.630 68.204 0.426 18987 6805 1 12 . 1 1 13 13 CYS N N 13 116.721 116.721 120.198 -3.477 18987 6806 1 12 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.282 -0.051 18987 6807 1 12 . 1 1 13 13 CYS C C 13 174.938 174.938 176.396 -1.458 18987 6808 1 12 . 1 1 13 13 CYS CA C 13 63.790 63.790 62.122 1.668 18987 6809 1 12 . 1 1 13 13 CYS CB C 13 33.590 33.590 27.425 6.165 18987 6810 1 12 . 1 1 13 13 CYS H H 13 8.441 8.441 8.384 0.057 18987 6811 1 12 . 1 1 14 14 LYS N N 14 119.429 119.429 120.417 -0.988 18987 6812 1 12 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.009 0.028 18987 6813 1 12 . 1 1 14 14 LYS C C 14 179.370 179.370 179.159 0.211 18987 6814 1 12 . 1 1 14 14 LYS CA C 14 59.150 59.150 59.126 0.024 18987 6815 1 12 . 1 1 14 14 LYS CB C 14 32.270 32.270 31.990 0.280 18987 6816 1 12 . 1 1 14 14 LYS H H 14 7.805 7.805 7.922 -0.117 18987 6817 1 12 . 1 1 15 15 LYS N N 15 119.379 119.379 118.720 0.659 18987 6818 1 12 . 1 1 15 15 LYS HA H 15 3.677 3.677 4.081 -0.404 18987 6819 1 12 . 1 1 15 15 LYS C C 15 177.999 177.999 178.993 -0.994 18987 6820 1 12 . 1 1 15 15 LYS CA C 15 59.270 59.270 58.335 0.935 18987 6821 1 12 . 1 1 15 15 LYS CB C 15 32.630 32.630 31.645 0.985 18987 6822 1 12 . 1 1 15 15 LYS H H 15 7.612 7.612 7.866 -0.254 18987 6823 1 12 . 1 1 16 16 ALA N N 16 122.940 122.940 121.837 1.103 18987 6824 1 12 . 1 1 16 16 ALA HA H 16 2.906 2.906 4.330 -1.424 18987 6825 1 12 . 1 1 16 16 ALA C C 16 177.999 177.999 179.240 -1.241 18987 6826 1 12 . 1 1 16 16 ALA CA C 16 54.370 54.370 55.142 -0.772 18987 6827 1 12 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.264 1.006 18987 6828 1 12 . 1 1 16 16 ALA H H 16 7.346 7.346 7.943 -0.597 18987 6829 1 12 . 1 1 17 17 ALA N N 17 120.093 120.093 120.131 -0.038 18987 6830 1 12 . 1 1 17 17 ALA HA H 17 2.965 2.965 2.879 0.086 18987 6831 1 12 . 1 1 17 17 ALA C C 17 178.466 178.466 178.991 -0.525 18987 6832 1 12 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.448 0.422 18987 6833 1 12 . 1 1 17 17 ALA CB C 17 17.270 17.270 18.048 -0.778 18987 6834 1 12 . 1 1 17 17 ALA H H 17 7.959 7.959 7.908 0.051 18987 6835 1 12 . 1 1 18 18 LYS N N 18 115.894 115.894 120.059 -4.165 18987 6836 1 12 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.023 -0.058 18987 6837 1 12 . 1 1 18 18 LYS C C 18 178.647 178.647 178.499 0.148 18987 6838 1 12 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.997 -0.087 18987 6839 1 12 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.218 -0.038 18987 6840 1 12 . 1 1 18 18 LYS H H 18 7.565 7.565 7.806 -0.241 18987 6841 1 12 . 1 1 19 19 PHE N N 19 120.854 120.854 119.782 1.072 18987 6842 1 12 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.373 -0.134 18987 6843 1 12 . 1 1 19 19 PHE C C 19 176.925 176.925 177.421 -0.496 18987 6844 1 12 . 1 1 19 19 PHE CA C 19 61.730 61.730 61.447 0.283 18987 6845 1 12 . 1 1 19 19 PHE CB C 19 39.140 39.140 39.390 -0.250 18987 6846 1 12 . 1 1 19 19 PHE H H 19 7.496 7.496 7.838 -0.342 18987 6847 1 12 . 1 1 20 20 LEU N N 20 118.913 118.913 119.254 -0.341 18987 6848 1 12 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.624 0.274 18987 6849 1 12 . 1 1 20 20 LEU C C 20 179.657 179.657 178.646 1.011 18987 6850 1 12 . 1 1 20 20 LEU CA C 20 58.330 58.330 58.080 0.251 18987 6851 1 12 . 1 1 20 20 LEU CB C 20 40.460 40.460 41.083 -0.623 18987 6852 1 12 . 1 1 20 20 LEU H H 20 8.012 8.012 8.016 -0.004 18987 6853 1 12 . 1 1 21 21 ASP N N 21 118.448 118.448 117.687 0.761 18987 6854 1 12 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.438 0.018 18987 6855 1 12 . 1 1 21 21 ASP C C 21 180.358 180.358 178.457 1.901 18987 6856 1 12 . 1 1 21 21 ASP CA C 21 57.680 57.680 56.943 0.737 18987 6857 1 12 . 1 1 21 21 ASP CB C 21 40.520 40.520 41.072 -0.552 18987 6858 1 12 . 1 1 21 21 ASP H H 21 8.814 8.814 7.818 0.996 18987 6859 1 12 . 1 1 22 22 GLU N N 22 122.661 122.661 119.396 3.265 18987 6860 1 12 . 1 1 22 22 GLU HA H 22 3.742 3.742 3.987 -0.245 18987 6861 1 12 . 1 1 22 22 GLU C C 22 178.371 178.371 178.012 0.359 18987 6862 1 12 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.930 0.310 18987 6863 1 12 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.625 -0.845 18987 6864 1 12 . 1 1 22 22 GLU H H 22 8.544 8.544 7.659 0.885 18987 6865 1 12 . 1 1 23 23 TYR N N 23 114.768 114.768 116.810 -2.042 18987 6866 1 12 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.378 -0.128 18987 6867 1 12 . 1 1 23 23 TYR C C 23 175.724 175.724 175.398 0.326 18987 6868 1 12 . 1 1 23 23 TYR CA C 23 59.070 59.070 58.716 0.354 18987 6869 1 12 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.509 0.511 18987 6870 1 12 . 1 1 23 23 TYR H H 23 7.522 7.522 7.683 -0.161 18987 6871 1 12 . 1 1 24 24 GLY N N 24 110.449 110.449 107.244 3.205 18987 6872 1 12 . 1 1 24 24 GLY C C 24 174.534 174.534 174.549 -0.015 18987 6873 1 12 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.463 1.657 18987 6874 1 12 . 1 1 24 24 GLY H H 24 7.792 7.792 7.162 0.630 18987 6875 1 12 . 1 1 25 25 VAL N N 25 122.714 122.714 119.679 3.035 18987 6876 1 12 . 1 1 25 25 VAL HA H 25 3.959 3.959 3.946 0.013 18987 6877 1 12 . 1 1 25 25 VAL C C 25 176.266 176.266 175.668 0.598 18987 6878 1 12 . 1 1 25 25 VAL CA C 25 62.000 62.000 62.691 -0.691 18987 6879 1 12 . 1 1 25 25 VAL CB C 25 32.480 32.480 32.160 0.320 18987 6880 1 12 . 1 1 25 25 VAL H H 25 8.393 8.393 8.010 0.383 18987 6881 1 12 . 1 1 26 26 SER N N 26 123.498 123.498 124.531 -1.033 18987 6882 1 12 . 1 1 26 26 SER HA H 26 4.351 4.351 4.333 0.018 18987 6883 1 12 . 1 1 26 26 SER C C 26 173.513 173.513 173.438 0.075 18987 6884 1 12 . 1 1 26 26 SER CA C 26 59.040 59.040 58.573 0.467 18987 6885 1 12 . 1 1 26 26 SER CB C 26 63.530 63.530 61.342 2.188 18987 6886 1 12 . 1 1 26 26 SER H H 26 8.559 8.559 8.651 -0.092 18987 6887 1 12 . 1 1 27 27 TYR N N 27 119.756 119.756 121.678 -1.922 18987 6888 1 12 . 1 1 27 27 TYR HA H 27 4.983 4.983 5.041 -0.058 18987 6889 1 12 . 1 1 27 27 TYR C C 27 172.355 172.355 175.135 -2.780 18987 6890 1 12 . 1 1 27 27 TYR CA C 27 55.750 55.750 54.461 1.289 18987 6891 1 12 . 1 1 27 27 TYR CB C 27 40.730 40.730 40.453 0.278 18987 6892 1 12 . 1 1 27 27 TYR H H 27 7.838 7.838 7.824 0.014 18987 6893 1 12 . 1 1 28 28 GLU N N 28 123.126 123.126 122.803 0.323 18987 6894 1 12 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.711 0.017 18987 6895 1 12 . 1 1 28 28 GLU CA C 28 51.420 51.420 52.047 -0.627 18987 6896 1 12 . 1 1 28 28 GLU CB C 28 31.790 31.790 30.901 0.889 18987 6897 1 12 . 1 1 28 28 GLU H H 28 9.006 9.006 9.020 -0.014 18987 6898 1 12 . 1 1 29 29 PRO HA H 29 5.619 5.619 5.029 0.590 18987 6899 1 12 . 1 1 29 29 PRO C C 29 177.276 177.276 176.292 0.984 18987 6900 1 12 . 1 1 29 29 PRO CA C 29 61.820 61.820 63.144 -1.324 18987 6901 1 12 . 1 1 29 29 PRO CB C 29 31.890 31.890 31.570 0.320 18987 6902 1 12 . 1 1 30 30 ILE N N 30 127.043 127.043 120.019 7.024 18987 6903 1 12 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.463 -0.359 18987 6904 1 12 . 1 1 30 30 ILE C C 30 174.948 174.948 174.000 0.948 18987 6905 1 12 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.669 1.691 18987 6906 1 12 . 1 1 30 30 ILE CB C 30 42.210 42.210 41.489 0.721 18987 6907 1 12 . 1 1 30 30 ILE H H 30 9.148 9.148 8.253 0.895 18987 6908 1 12 . 1 1 31 31 ASP N N 31 128.946 128.946 125.005 3.941 18987 6909 1 12 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.468 -0.576 18987 6910 1 12 . 1 1 31 31 ASP C C 31 176.373 176.373 177.515 -1.142 18987 6911 1 12 . 1 1 31 31 ASP CA C 31 54.600 54.600 56.111 -1.511 18987 6912 1 12 . 1 1 31 31 ASP CB C 31 42.920 42.920 41.854 1.066 18987 6913 1 12 . 1 1 31 31 ASP H H 31 9.092 9.092 8.892 0.200 18987 6914 1 12 . 1 1 32 32 ILE N N 32 127.576 127.576 127.420 0.156 18987 6915 1 12 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.176 -0.084 18987 6916 1 12 . 1 1 32 32 ILE C C 32 174.013 174.013 176.522 -2.509 18987 6917 1 12 . 1 1 32 32 ILE CA C 32 62.520 62.520 63.521 -1.001 18987 6918 1 12 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.642 2.108 18987 6919 1 12 . 1 1 32 32 ILE H H 32 9.362 9.362 8.685 0.677 18987 6920 1 12 . 1 1 33 33 VAL N N 33 123.498 123.498 117.804 5.694 18987 6921 1 12 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.897 -0.254 18987 6922 1 12 . 1 1 33 33 VAL C C 33 176.819 176.819 177.465 -0.646 18987 6923 1 12 . 1 1 33 33 VAL CA C 33 65.050 65.050 63.597 1.452 18987 6924 1 12 . 1 1 33 33 VAL CB C 33 31.970 31.970 31.177 0.792 18987 6925 1 12 . 1 1 33 33 VAL H H 33 8.445 8.445 8.101 0.344 18987 6926 1 12 . 1 1 34 34 GLN N N 34 119.897 119.897 118.503 1.394 18987 6927 1 12 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.121 -0.168 18987 6928 1 12 . 1 1 34 34 GLN C C 34 176.734 176.734 176.289 0.445 18987 6929 1 12 . 1 1 34 34 GLN CA C 34 57.540 57.540 57.645 -0.105 18987 6930 1 12 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.362 0.498 18987 6931 1 12 . 1 1 34 34 GLN H H 34 8.650 8.650 8.337 0.313 18987 6932 1 12 . 1 1 35 35 HIS N N 35 118.090 118.090 117.557 0.533 18987 6933 1 12 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.916 0.048 18987 6934 1 12 . 1 1 35 35 HIS C C 35 173.758 173.758 174.104 -0.346 18987 6935 1 12 . 1 1 35 35 HIS CA C 35 53.660 53.660 54.677 -1.017 18987 6936 1 12 . 1 1 35 35 HIS CB C 35 29.190 29.190 30.537 -1.347 18987 6937 1 12 . 1 1 35 35 HIS H H 35 8.178 8.178 7.865 0.313 18987 6938 1 12 . 1 1 36 36 THR N N 36 118.794 118.794 119.318 -0.524 18987 6939 1 12 . 1 1 36 36 THR HA H 36 4.142 4.142 4.471 -0.329 18987 6940 1 12 . 1 1 36 36 THR CA C 36 62.080 62.080 62.142 -0.062 18987 6941 1 12 . 1 1 36 36 THR CB C 36 70.180 70.180 68.643 1.537 18987 6942 1 12 . 1 1 36 36 THR H H 36 7.468 7.468 7.850 -0.382 18987 6943 1 12 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.318 -0.043 18987 6944 1 12 . 1 1 37 37 PRO C C 37 174.970 174.970 176.467 -1.497 18987 6945 1 12 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.525 0.445 18987 6946 1 12 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.375 -1.944 18987 6947 1 12 . 1 1 38 38 THR N N 38 111.512 111.512 114.599 -3.087 18987 6948 1 12 . 1 1 38 38 THR HA H 38 4.298 4.298 4.397 -0.099 18987 6949 1 12 . 1 1 38 38 THR C C 38 175.756 175.756 176.521 -0.765 18987 6950 1 12 . 1 1 38 38 THR CA C 38 60.700 60.700 60.844 -0.144 18987 6951 1 12 . 1 1 38 38 THR CB C 38 71.560 71.560 70.343 1.217 18987 6952 1 12 . 1 1 38 38 THR H H 38 8.220 8.220 7.890 0.330 18987 6953 1 12 . 1 1 39 39 ILE N N 39 119.950 119.950 121.821 -1.871 18987 6954 1 12 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.823 -0.146 18987 6955 1 12 . 1 1 39 39 ILE C C 39 177.871 177.871 178.077 -0.206 18987 6956 1 12 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.783 1.317 18987 6957 1 12 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.684 0.456 18987 6958 1 12 . 1 1 39 39 ILE H H 39 8.763 8.763 8.623 0.140 18987 6959 1 12 . 1 1 40 40 ASN N N 40 116.189 116.189 117.438 -1.249 18987 6960 1 12 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.406 -0.057 18987 6961 1 12 . 1 1 40 40 ASN C C 40 178.445 178.445 177.349 1.096 18987 6962 1 12 . 1 1 40 40 ASN CA C 40 56.330 56.330 57.065 -0.735 18987 6963 1 12 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.878 0.062 18987 6964 1 12 . 1 1 40 40 ASN H H 40 8.180 8.180 8.544 -0.364 18987 6965 1 12 . 1 1 41 41 GLU N N 41 121.970 121.970 120.531 1.439 18987 6966 1 12 . 1 1 41 41 GLU HA H 41 3.915 3.915 4.041 -0.126 18987 6967 1 12 . 1 1 41 41 GLU C C 41 180.093 180.093 178.933 1.160 18987 6968 1 12 . 1 1 41 41 GLU CA C 41 59.590 59.590 58.764 0.826 18987 6969 1 12 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.083 0.667 18987 6970 1 12 . 1 1 41 41 GLU H H 41 7.782 7.782 7.481 0.301 18987 6971 1 12 . 1 1 42 42 PHE N N 42 118.929 118.929 119.502 -0.573 18987 6972 1 12 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.133 0.037 18987 6973 1 12 . 1 1 42 42 PHE C C 42 178.488 178.488 177.504 0.984 18987 6974 1 12 . 1 1 42 42 PHE CA C 42 63.020 63.020 61.915 1.105 18987 6975 1 12 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.661 0.569 18987 6976 1 12 . 1 1 42 42 PHE H H 42 8.776 8.776 8.381 0.395 18987 6977 1 12 . 1 1 43 43 LYS N N 43 118.820 118.820 117.756 1.064 18987 6978 1 12 . 1 1 43 43 LYS HA H 43 3.795 3.795 3.956 -0.161 18987 6979 1 12 . 1 1 43 43 LYS C C 43 179.816 179.816 178.851 0.965 18987 6980 1 12 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.843 1.307 18987 6981 1 12 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.938 0.302 18987 6982 1 12 . 1 1 43 43 LYS H H 43 8.775 8.775 8.172 0.603 18987 6983 1 12 . 1 1 44 44 THR N N 44 118.754 118.754 117.749 1.005 18987 6984 1 12 . 1 1 44 44 THR HA H 44 3.894 3.894 4.038 -0.144 18987 6985 1 12 . 1 1 44 44 THR C C 44 175.214 175.214 176.378 -1.164 18987 6986 1 12 . 1 1 44 44 THR CA C 44 66.900 66.900 67.162 -0.262 18987 6987 1 12 . 1 1 44 44 THR CB C 44 68.920 68.920 68.667 0.253 18987 6988 1 12 . 1 1 44 44 THR H H 44 7.959 7.959 7.968 -0.009 18987 6989 1 12 . 1 1 45 45 ILE N N 45 122.671 122.671 119.336 3.335 18987 6990 1 12 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.833 -0.026 18987 6991 1 12 . 1 1 45 45 ILE C C 45 180.273 180.273 177.733 2.540 18987 6992 1 12 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.814 1.236 18987 6993 1 12 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.294 1.456 18987 6994 1 12 . 1 1 45 45 ILE H H 45 8.100 8.100 7.695 0.405 18987 6995 1 12 . 1 1 46 46 ILE N N 46 123.392 123.392 121.221 2.171 18987 6996 1 12 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.951 -0.426 18987 6997 1 12 . 1 1 46 46 ILE C C 46 178.509 178.509 177.394 1.115 18987 6998 1 12 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.654 1.156 18987 6999 1 12 . 1 1 46 46 ILE CB C 46 38.110 38.110 38.156 -0.046 18987 7000 1 12 . 1 1 46 46 ILE H H 46 8.778 8.778 8.107 0.671 18987 7001 1 12 . 1 1 47 47 ALA N N 47 123.336 123.336 120.906 2.430 18987 7002 1 12 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.128 -0.080 18987 7003 1 12 . 1 1 47 47 ALA C C 47 180.114 180.114 179.032 1.082 18987 7004 1 12 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.612 0.288 18987 7005 1 12 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.363 -0.033 18987 7006 1 12 . 1 1 47 47 ALA H H 47 8.232 8.232 7.769 0.463 18987 7007 1 12 . 1 1 48 48 ASN N N 48 114.090 114.090 116.069 -1.979 18987 7008 1 12 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.702 -0.212 18987 7009 1 12 . 1 1 48 48 ASN C C 48 177.776 177.776 177.758 0.018 18987 7010 1 12 . 1 1 48 48 ASN CA C 48 55.070 55.070 55.640 -0.570 18987 7011 1 12 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.402 -0.732 18987 7012 1 12 . 1 1 48 48 ASN H H 48 8.464 8.464 8.110 0.354 18987 7013 1 12 . 1 1 49 49 THR N N 49 106.742 106.742 109.758 -3.016 18987 7014 1 12 . 1 1 49 49 THR HA H 49 4.471 4.471 4.470 0.001 18987 7015 1 12 . 1 1 49 49 THR C C 49 176.968 176.968 176.046 0.922 18987 7016 1 12 . 1 1 49 49 THR CA C 49 62.550 62.550 63.638 -1.088 18987 7017 1 12 . 1 1 49 49 THR CB C 49 72.150 72.150 70.540 1.609 18987 7018 1 12 . 1 1 49 49 THR H H 49 8.035 8.035 8.017 0.018 18987 7019 1 12 . 1 1 50 50 GLY N N 50 112.246 112.246 110.937 1.309 18987 7020 1 12 . 1 1 50 50 GLY C C 50 174.055 174.055 174.667 -0.612 18987 7021 1 12 . 1 1 50 50 GLY CA C 50 45.940 45.940 44.796 1.144 18987 7022 1 12 . 1 1 50 50 GLY H H 50 8.323 8.323 7.847 0.476 18987 7023 1 12 . 1 1 51 51 VAL N N 51 121.212 121.212 120.522 0.690 18987 7024 1 12 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.169 -0.294 18987 7025 1 12 . 1 1 51 51 VAL C C 51 173.120 173.120 175.580 -2.460 18987 7026 1 12 . 1 1 51 51 VAL CA C 51 61.380 61.380 61.456 -0.076 18987 7027 1 12 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.179 -1.289 18987 7028 1 12 . 1 1 51 51 VAL H H 51 7.429 7.429 7.501 -0.072 18987 7029 1 12 . 1 1 52 52 GLU N N 52 126.158 126.158 125.102 1.056 18987 7030 1 12 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.279 -0.170 18987 7031 1 12 . 1 1 52 52 GLU C C 52 178.190 178.190 176.870 1.320 18987 7032 1 12 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.767 -0.527 18987 7033 1 12 . 1 1 52 52 GLU CB C 52 30.190 30.190 29.769 0.421 18987 7034 1 12 . 1 1 52 52 GLU H H 52 7.881 7.881 8.381 -0.500 18987 7035 1 12 . 1 1 53 53 ILE N N 53 125.807 125.807 124.320 1.487 18987 7036 1 12 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.879 -0.455 18987 7037 1 12 . 1 1 53 53 ILE C C 53 177.425 177.425 176.240 1.185 18987 7038 1 12 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.435 2.345 18987 7039 1 12 . 1 1 53 53 ILE CB C 53 37.960 37.960 37.883 0.077 18987 7040 1 12 . 1 1 53 53 ILE H H 53 8.430 8.430 8.709 -0.279 18987 7041 1 12 . 1 1 54 54 ASN N N 54 116.588 116.588 117.022 -0.434 18987 7042 1 12 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.706 -0.250 18987 7043 1 12 . 1 1 54 54 ASN C C 54 178.807 178.807 177.136 1.671 18987 7044 1 12 . 1 1 54 54 ASN CA C 54 55.770 55.770 55.982 -0.212 18987 7045 1 12 . 1 1 54 54 ASN CB C 54 37.140 37.140 37.671 -0.531 18987 7046 1 12 . 1 1 54 54 ASN H H 54 8.585 8.585 8.667 -0.082 18987 7047 1 12 . 1 1 55 55 LYS N N 55 117.013 117.013 118.524 -1.511 18987 7048 1 12 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.204 -0.102 18987 7049 1 12 . 1 1 55 55 LYS C C 55 176.819 176.819 177.560 -0.741 18987 7050 1 12 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.298 -0.738 18987 7051 1 12 . 1 1 55 55 LYS CB C 55 32.180 32.180 31.626 0.554 18987 7052 1 12 . 1 1 55 55 LYS H H 55 7.661 7.661 8.291 -0.630 18987 7053 1 12 . 1 1 56 56 LEU N N 56 114.768 114.768 118.842 -4.074 18987 7054 1 12 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.299 -0.372 18987 7055 1 12 . 1 1 56 56 LEU C C 56 176.702 176.702 176.698 0.004 18987 7056 1 12 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.397 0.523 18987 7057 1 12 . 1 1 56 56 LEU CB C 56 42.020 42.020 41.976 0.044 18987 7058 1 12 . 1 1 56 56 LEU H H 56 7.690 7.690 7.206 0.484 18987 7059 1 12 . 1 1 57 57 PHE N N 57 114.558 114.558 117.922 -3.364 18987 7060 1 12 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.682 -0.234 18987 7061 1 12 . 1 1 57 57 PHE C C 57 176.319 176.319 176.881 -0.562 18987 7062 1 12 . 1 1 57 57 PHE CA C 57 58.470 58.470 58.517 -0.047 18987 7063 1 12 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.862 0.838 18987 7064 1 12 . 1 1 57 57 PHE H H 57 7.032 7.032 7.700 -0.668 18987 7065 1 12 . 1 1 58 58 ASN N N 58 118.674 118.674 121.047 -2.373 18987 7066 1 12 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.563 -0.077 18987 7067 1 12 . 1 1 58 58 ASN CA C 58 51.540 51.540 53.214 -1.674 18987 7068 1 12 . 1 1 58 58 ASN CB C 58 36.910 36.910 37.764 -0.854 18987 7069 1 12 . 1 1 58 58 ASN H H 58 8.659 8.659 8.873 -0.214 18987 7070 1 12 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.273 0.289 18987 7071 1 12 . 1 1 60 60 HIS C C 60 176.309 176.309 174.998 1.311 18987 7072 1 12 . 1 1 60 60 HIS CA C 60 55.920 55.920 57.911 -1.991 18987 7073 1 12 . 1 1 60 60 HIS CB C 60 30.890 30.890 28.112 2.778 18987 7074 1 12 . 1 1 61 61 GLY N N 61 106.925 106.925 106.276 0.649 18987 7075 1 12 . 1 1 61 61 GLY CA C 61 45.180 45.180 44.541 0.639 18987 7076 1 12 . 1 1 61 61 GLY H H 61 7.284 7.284 7.762 -0.478 18987 7077 1 12 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.063 -0.015 18987 7078 1 12 . 1 1 63 63 LYS C C 63 177.435 177.435 178.614 -1.179 18987 7079 1 12 . 1 1 63 63 LYS CA C 63 58.300 58.300 58.933 -0.633 18987 7080 1 12 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.529 -1.369 18987 7081 1 12 . 1 1 64 64 TYR N N 64 119.737 119.737 119.976 -0.239 18987 7082 1 12 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.127 -0.470 18987 7083 1 12 . 1 1 64 64 TYR C C 64 178.339 178.339 176.725 1.614 18987 7084 1 12 . 1 1 64 64 TYR CA C 64 61.610 61.610 61.486 0.124 18987 7085 1 12 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.578 0.322 18987 7086 1 12 . 1 1 64 64 TYR H H 64 7.644 7.644 8.296 -0.652 18987 7087 1 12 . 1 1 65 65 ARG N N 65 118.236 118.236 116.334 1.902 18987 7088 1 12 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.333 -0.123 18987 7089 1 12 . 1 1 65 65 ARG C C 65 179.816 179.816 177.917 1.899 18987 7090 1 12 . 1 1 65 65 ARG CA C 65 59.090 59.090 57.392 1.698 18987 7091 1 12 . 1 1 65 65 ARG CB C 65 30.160 30.160 30.245 -0.086 18987 7092 1 12 . 1 1 65 65 ARG H H 65 7.358 7.358 7.708 -0.350 18987 7093 1 12 . 1 1 66 66 GLU N N 66 123.063 123.063 121.202 1.861 18987 7094 1 12 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.152 -0.235 18987 7095 1 12 . 1 1 66 66 GLU C C 66 178.626 178.626 178.039 0.587 18987 7096 1 12 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.733 0.717 18987 7097 1 12 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.546 0.144 18987 7098 1 12 . 1 1 66 66 GLU H H 66 8.789 8.789 7.987 0.802 18987 7099 1 12 . 1 1 67 67 LEU N N 67 115.817 115.817 117.284 -1.467 18987 7100 1 12 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.207 -0.077 18987 7101 1 12 . 1 1 67 67 LEU C C 67 176.171 176.171 176.729 -0.558 18987 7102 1 12 . 1 1 67 67 LEU CA C 67 54.750 54.750 55.150 -0.400 18987 7103 1 12 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.345 -0.325 18987 7104 1 12 . 1 1 67 67 LEU H H 67 7.907 7.907 7.679 0.228 18987 7105 1 12 . 1 1 68 68 ASP N N 68 118.063 118.063 116.914 1.149 18987 7106 1 12 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.306 0.108 18987 7107 1 12 . 1 1 68 68 ASP C C 68 177.521 177.521 176.384 1.137 18987 7108 1 12 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.601 -0.201 18987 7109 1 12 . 1 1 68 68 ASP CB C 68 39.640 39.640 39.632 0.008 18987 7110 1 12 . 1 1 68 68 ASP H H 68 7.878 7.878 7.928 -0.050 18987 7111 1 12 . 1 1 69 69 LEU N N 69 115.724 115.724 118.558 -2.834 18987 7112 1 12 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.736 -0.297 18987 7113 1 12 . 1 1 69 69 LEU C C 69 177.584 177.584 177.935 -0.351 18987 7114 1 12 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.354 0.126 18987 7115 1 12 . 1 1 69 69 LEU CB C 69 38.700 38.700 41.177 -2.477 18987 7116 1 12 . 1 1 69 69 LEU H H 69 7.285 7.285 7.694 -0.409 18987 7117 1 12 . 1 1 70 70 LYS N N 70 119.751 119.751 118.539 1.212 18987 7118 1 12 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.695 0.266 18987 7119 1 12 . 1 1 70 70 LYS C C 70 177.903 177.903 178.432 -0.529 18987 7120 1 12 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.645 0.835 18987 7121 1 12 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.549 0.431 18987 7122 1 12 . 1 1 70 70 LYS H H 70 8.601 8.601 7.515 1.086 18987 7123 1 12 . 1 1 71 71 ASN N N 71 113.386 113.386 116.542 -3.156 18987 7124 1 12 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.575 0.151 18987 7125 1 12 . 1 1 71 71 ASN C C 71 176.808 176.808 176.795 0.013 18987 7126 1 12 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.675 -1.305 18987 7127 1 12 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.146 1.814 18987 7128 1 12 . 1 1 71 71 ASN H H 71 6.965 6.965 7.887 -0.922 18987 7129 1 12 . 1 1 72 72 LYS N N 72 118.475 118.475 118.848 -0.373 18987 7130 1 12 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.204 -0.055 18987 7131 1 12 . 1 1 72 72 LYS C C 72 178.849 178.849 178.278 0.571 18987 7132 1 12 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.333 -0.413 18987 7133 1 12 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.814 1.216 18987 7134 1 12 . 1 1 72 72 LYS H H 72 8.113 8.113 7.420 0.693 18987 7135 1 12 . 1 1 73 73 LEU N N 73 120.458 120.458 120.418 0.040 18987 7136 1 12 . 1 1 73 73 LEU HA H 73 3.599 3.599 3.941 -0.342 18987 7137 1 12 . 1 1 73 73 LEU C C 73 178.126 178.126 177.971 0.155 18987 7138 1 12 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.036 1.794 18987 7139 1 12 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.578 -0.678 18987 7140 1 12 . 1 1 73 73 LEU H H 73 8.549 8.549 8.169 0.380 18987 7141 1 12 . 1 1 74 74 GLN N N 74 112.719 112.719 115.748 -3.029 18987 7142 1 12 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.063 0.115 18987 7143 1 12 . 1 1 74 74 GLN C C 74 176.883 176.883 177.438 -0.555 18987 7144 1 12 . 1 1 74 74 GLN CA C 74 57.250 57.250 58.126 -0.876 18987 7145 1 12 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.599 -0.168 18987 7146 1 12 . 1 1 74 74 GLN H H 74 7.918 7.918 7.710 0.208 18987 7147 1 12 . 1 1 75 75 THR N N 75 108.336 108.336 112.977 -4.641 18987 7148 1 12 . 1 1 75 75 THR HA H 75 4.410 4.410 4.445 -0.035 18987 7149 1 12 . 1 1 75 75 THR C C 75 174.619 174.619 174.965 -0.346 18987 7150 1 12 . 1 1 75 75 THR CA C 75 61.760 61.760 62.039 -0.280 18987 7151 1 12 . 1 1 75 75 THR CB C 75 69.950 69.950 70.111 -0.161 18987 7152 1 12 . 1 1 75 75 THR H H 75 7.620 7.620 7.545 0.075 18987 7153 1 12 . 1 1 76 76 LEU N N 76 122.754 122.754 120.980 1.774 18987 7154 1 12 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.472 0.016 18987 7155 1 12 . 1 1 76 76 LEU C C 76 177.234 177.234 176.072 1.162 18987 7156 1 12 . 1 1 76 76 LEU CA C 76 54.190 54.190 53.875 0.315 18987 7157 1 12 . 1 1 76 76 LEU CB C 76 44.040 44.040 42.283 1.757 18987 7158 1 12 . 1 1 76 76 LEU H H 76 7.191 7.191 7.793 -0.602 18987 7159 1 12 . 1 1 77 77 SER N N 77 119.431 119.431 115.000 4.431 18987 7160 1 12 . 1 1 77 77 SER HA H 77 4.465 4.465 4.447 0.017 18987 7161 1 12 . 1 1 77 77 SER C C 77 175.320 175.320 175.821 -0.501 18987 7162 1 12 . 1 1 77 77 SER CA C 77 57.360 57.360 58.817 -1.457 18987 7163 1 12 . 1 1 77 77 SER CB C 77 65.080 65.080 64.528 0.552 18987 7164 1 12 . 1 1 77 77 SER H H 77 9.367 9.367 8.248 1.119 18987 7165 1 12 . 1 1 78 78 ASP N N 78 122.766 122.766 122.748 0.018 18987 7166 1 12 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.402 -0.207 18987 7167 1 12 . 1 1 78 78 ASP C C 78 178.211 178.211 177.921 0.290 18987 7168 1 12 . 1 1 78 78 ASP CA C 78 58.470 58.470 57.941 0.529 18987 7169 1 12 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.885 -1.425 18987 7170 1 12 . 1 1 78 78 ASP H H 78 9.055 9.055 8.907 0.148 18987 7171 1 12 . 1 1 79 79 ASP N N 79 117.917 117.917 118.212 -0.295 18987 7172 1 12 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.405 -0.130 18987 7173 1 12 . 1 1 79 79 ASP C C 79 179.179 179.179 178.077 1.102 18987 7174 1 12 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.061 0.939 18987 7175 1 12 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.767 -0.458 18987 7176 1 12 . 1 1 79 79 ASP H H 79 8.245 8.245 8.743 -0.498 18987 7177 1 12 . 1 1 80 80 GLU N N 80 120.229 120.229 119.160 1.069 18987 7178 1 12 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.290 -0.373 18987 7179 1 12 . 1 1 80 80 GLU C C 80 180.369 180.369 178.920 1.449 18987 7180 1 12 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.900 0.400 18987 7181 1 12 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.663 1.257 18987 7182 1 12 . 1 1 80 80 GLU H H 80 7.732 7.732 7.599 0.133 18987 7183 1 12 . 1 1 81 81 LYS N N 81 120.163 120.163 120.385 -0.222 18987 7184 1 12 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.295 -0.449 18987 7185 1 12 . 1 1 81 81 LYS C C 81 177.956 177.956 179.101 -1.145 18987 7186 1 12 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.636 1.304 18987 7187 1 12 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.498 1.122 18987 7188 1 12 . 1 1 81 81 LYS H H 81 8.340 8.340 7.617 0.723 18987 7189 1 12 . 1 1 82 82 LEU N N 82 117.478 117.478 119.384 -1.906 18987 7190 1 12 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.640 0.033 18987 7191 1 12 . 1 1 82 82 LEU C C 82 178.870 178.870 178.653 0.217 18987 7192 1 12 . 1 1 82 82 LEU CA C 82 57.770 57.770 57.983 -0.214 18987 7193 1 12 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.616 0.134 18987 7194 1 12 . 1 1 82 82 LEU H H 82 8.161 8.161 7.812 0.349 18987 7195 1 12 . 1 1 83 83 GLU N N 83 119.824 119.824 119.123 0.701 18987 7196 1 12 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.921 -0.181 18987 7197 1 12 . 1 1 83 83 GLU C C 83 179.009 179.009 179.356 -0.347 18987 7198 1 12 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.424 0.056 18987 7199 1 12 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.452 -0.112 18987 7200 1 12 . 1 1 83 83 GLU H H 83 7.999 7.999 7.726 0.273 18987 7201 1 12 . 1 1 84 84 LEU N N 84 119.684 119.684 119.853 -0.169 18987 7202 1 12 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.929 0.013 18987 7203 1 12 . 1 1 84 84 LEU C C 84 179.264 179.264 179.072 0.192 18987 7204 1 12 . 1 1 84 84 LEU CA C 84 58.090 58.090 57.929 0.161 18987 7205 1 12 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.849 0.462 18987 7206 1 12 . 1 1 84 84 LEU H H 84 7.470 7.470 7.734 -0.264 18987 7207 1 12 . 1 1 85 85 LEU N N 85 119.086 119.086 117.907 1.179 18987 7208 1 12 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.655 -0.271 18987 7209 1 12 . 1 1 85 85 LEU C C 85 176.064 176.064 179.179 -3.115 18987 7210 1 12 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.235 0.625 18987 7211 1 12 . 1 1 85 85 LEU CB C 85 42.360 42.360 40.942 1.418 18987 7212 1 12 . 1 1 85 85 LEU H H 85 7.726 7.726 7.584 0.142 18987 7213 1 12 . 1 1 86 86 SER N N 86 105.708 105.708 112.784 -7.076 18987 7214 1 12 . 1 1 86 86 SER HA H 86 4.283 4.283 4.796 -0.513 18987 7215 1 12 . 1 1 86 86 SER C C 86 176.351 176.351 175.920 0.431 18987 7216 1 12 . 1 1 86 86 SER CA C 86 60.380 60.380 60.362 0.018 18987 7217 1 12 . 1 1 86 86 SER CB C 86 64.400 64.400 63.394 1.006 18987 7218 1 12 . 1 1 86 86 SER H H 86 7.617 7.617 7.892 -0.275 18987 7219 1 12 . 1 1 87 87 SER N N 87 115.392 115.392 115.839 -0.447 18987 7220 1 12 . 1 1 87 87 SER HA H 87 4.345 4.345 4.408 -0.063 18987 7221 1 12 . 1 1 87 87 SER C C 87 174.534 174.534 174.426 0.108 18987 7222 1 12 . 1 1 87 87 SER CA C 87 59.820 59.820 60.400 -0.580 18987 7223 1 12 . 1 1 87 87 SER CB C 87 64.340 64.340 63.865 0.475 18987 7224 1 12 . 1 1 87 87 SER H H 87 7.644 7.644 7.839 -0.195 18987 7225 1 12 . 1 1 88 88 ASP N N 88 120.295 120.295 119.564 0.731 18987 7226 1 12 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.782 -0.178 18987 7227 1 12 . 1 1 88 88 ASP C C 88 175.618 175.618 176.328 -0.710 18987 7228 1 12 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.314 0.696 18987 7229 1 12 . 1 1 88 88 ASP CB C 88 41.020 41.020 42.996 -1.976 18987 7230 1 12 . 1 1 88 88 ASP H H 88 7.104 7.104 7.577 -0.473 18987 7231 1 12 . 1 1 89 89 GLY N N 89 111.841 111.841 112.051 -0.210 18987 7232 1 12 . 1 1 89 89 GLY C C 89 176.171 176.171 175.250 0.921 18987 7233 1 12 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.700 0.980 18987 7234 1 12 . 1 1 89 89 GLY H H 89 9.325 9.325 8.805 0.520 18987 7235 1 12 . 1 1 90 90 MET N N 90 117.877 117.877 118.006 -0.129 18987 7236 1 12 . 1 1 90 90 MET HA H 90 4.075 4.075 4.352 -0.277 18987 7237 1 12 . 1 1 90 90 MET C C 90 178.456 178.456 178.298 0.158 18987 7238 1 12 . 1 1 90 90 MET CA C 90 56.400 56.400 56.465 -0.065 18987 7239 1 12 . 1 1 90 90 MET CB C 90 30.540 30.540 32.291 -1.751 18987 7240 1 12 . 1 1 90 90 MET H H 90 8.593 8.593 7.609 0.984 18987 7241 1 12 . 1 1 91 91 LEU N N 91 118.027 118.027 118.535 -0.508 18987 7242 1 12 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.215 0.064 18987 7243 1 12 . 1 1 91 91 LEU C C 91 176.298 176.298 176.681 -0.383 18987 7244 1 12 . 1 1 91 91 LEU CA C 91 55.460 55.460 56.170 -0.710 18987 7245 1 12 . 1 1 91 91 LEU CB C 91 43.130 43.130 41.562 1.568 18987 7246 1 12 . 1 1 91 91 LEU H H 91 8.224 8.224 7.960 0.264 18987 7247 1 12 . 1 1 92 92 VAL N N 92 120.960 120.960 117.338 3.622 18987 7248 1 12 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.326 -0.325 18987 7249 1 12 . 1 1 92 92 VAL C C 92 175.990 175.990 176.533 -0.543 18987 7250 1 12 . 1 1 92 92 VAL CA C 92 61.150 61.150 60.352 0.798 18987 7251 1 12 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.380 -0.110 18987 7252 1 12 . 1 1 92 92 VAL H H 92 7.093 7.093 7.136 -0.043 18987 7253 1 12 . 1 1 93 93 LYS N N 93 130.687 130.687 124.911 5.776 18987 7254 1 12 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.169 -0.463 18987 7255 1 12 . 1 1 93 93 LYS C C 93 171.855 171.855 177.128 -5.273 18987 7256 1 12 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.255 1.665 18987 7257 1 12 . 1 1 93 93 LYS CB C 93 32.800 32.800 31.369 1.431 18987 7258 1 12 . 1 1 93 93 LYS H H 93 8.442 8.442 8.212 0.230 18987 7259 1 12 . 1 1 94 94 ARG N N 94 115.791 115.791 123.730 -7.939 18987 7260 1 12 . 1 1 94 94 ARG H H 94 7.676 7.676 8.345 -0.669 18987 7261 1 12 . 1 1 95 95 PRO C C 95 175.108 175.108 175.359 -0.251 18987 7262 1 12 . 1 1 96 96 LEU N N 96 128.494 128.494 126.041 2.453 18987 7263 1 12 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.472 -0.491 18987 7264 1 12 . 1 1 96 96 LEU C C 96 173.216 173.216 174.232 -1.016 18987 7265 1 12 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.489 1.381 18987 7266 1 12 . 1 1 96 96 LEU CB C 96 43.660 43.660 46.929 -3.269 18987 7267 1 12 . 1 1 96 96 LEU H H 96 8.246 8.246 8.484 -0.238 18987 7268 1 12 . 1 1 97 97 ALA N N 97 131.035 131.035 125.837 5.198 18987 7269 1 12 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.444 0.426 18987 7270 1 12 . 1 1 97 97 ALA C C 97 174.938 174.938 174.911 0.027 18987 7271 1 12 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.337 -1.487 18987 7272 1 12 . 1 1 97 97 ALA CB C 97 20.070 20.070 22.334 -2.264 18987 7273 1 12 . 1 1 97 97 ALA H H 97 8.839 8.839 8.974 -0.135 18987 7274 1 12 . 1 1 98 98 VAL N N 98 119.830 119.830 124.690 -4.860 18987 7275 1 12 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.246 0.310 18987 7276 1 12 . 1 1 98 98 VAL C C 98 173.896 173.896 173.736 0.160 18987 7277 1 12 . 1 1 98 98 VAL CA C 98 59.270 59.270 60.629 -1.359 18987 7278 1 12 . 1 1 98 98 VAL CB C 98 35.970 35.970 36.500 -0.530 18987 7279 1 12 . 1 1 98 98 VAL H H 98 8.824 8.824 8.480 0.344 18987 7280 1 12 . 1 1 99 99 MET N N 99 127.537 127.537 123.142 4.395 18987 7281 1 12 . 1 1 99 99 MET HA H 99 4.430 4.430 5.018 -0.588 18987 7282 1 12 . 1 1 99 99 MET CA C 99 56.710 56.710 54.326 2.384 18987 7283 1 12 . 1 1 99 99 MET CB C 99 31.050 31.050 36.167 -5.117 18987 7284 1 12 . 1 1 99 99 MET H H 99 8.873 8.873 8.842 0.031 18987 7285 1 12 . 1 1 100 100 GLY C C 100 173.024 173.024 174.714 -1.690 18987 7286 1 12 . 1 1 100 100 GLY CA C 100 47.970 47.970 46.312 1.658 18987 7287 1 12 . 1 1 101 101 ASP N N 101 124.308 124.308 118.463 5.845 18987 7288 1 12 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.725 -0.526 18987 7289 1 12 . 1 1 101 101 ASP C C 101 175.172 175.172 176.639 -1.467 18987 7290 1 12 . 1 1 101 101 ASP CA C 101 53.310 53.310 55.451 -2.141 18987 7291 1 12 . 1 1 101 101 ASP CB C 101 40.170 40.170 41.603 -1.433 18987 7292 1 12 . 1 1 101 101 ASP H H 101 8.257 8.257 8.368 -0.111 18987 7293 1 12 . 1 1 102 102 LYS N N 102 121.002 121.002 118.354 2.648 18987 7294 1 12 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.578 -0.172 18987 7295 1 12 . 1 1 102 102 LYS C C 102 174.257 174.257 174.293 -0.036 18987 7296 1 12 . 1 1 102 102 LYS CA C 102 55.370 55.370 55.022 0.348 18987 7297 1 12 . 1 1 102 102 LYS CB C 102 36.230 36.230 35.543 0.687 18987 7298 1 12 . 1 1 102 102 LYS H H 102 8.108 8.108 7.930 0.178 18987 7299 1 12 . 1 1 103 103 ILE N N 103 118.488 118.488 120.274 -1.786 18987 7300 1 12 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.217 0.642 18987 7301 1 12 . 1 1 103 103 ILE C C 103 173.652 173.652 174.050 -0.398 18987 7302 1 12 . 1 1 103 103 ILE CA C 103 58.620 58.620 60.065 -1.445 18987 7303 1 12 . 1 1 103 103 ILE CB C 103 42.250 42.250 42.360 -0.110 18987 7304 1 12 . 1 1 103 103 ILE H H 103 8.038 8.038 8.012 0.026 18987 7305 1 12 . 1 1 104 104 THR N N 104 115.441 115.441 119.553 -4.112 18987 7306 1 12 . 1 1 104 104 THR HA H 104 4.524 4.524 4.761 -0.237 18987 7307 1 12 . 1 1 104 104 THR C C 104 173.503 173.503 173.145 0.358 18987 7308 1 12 . 1 1 104 104 THR CA C 104 60.660 60.660 60.668 -0.008 18987 7309 1 12 . 1 1 104 104 THR CB C 104 72.460 72.460 71.986 0.474 18987 7310 1 12 . 1 1 104 104 THR H H 104 9.360 9.360 9.238 0.122 18987 7311 1 12 . 1 1 105 105 LEU N N 105 123.352 123.352 126.864 -3.512 18987 7312 1 12 . 1 1 105 105 LEU HA H 105 5.023 5.023 4.716 0.307 18987 7313 1 12 . 1 1 105 105 LEU C C 105 178.860 178.860 178.084 0.776 18987 7314 1 12 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.666 -1.626 18987 7315 1 12 . 1 1 105 105 LEU CB C 105 44.290 44.290 42.983 1.307 18987 7316 1 12 . 1 1 105 105 LEU H H 105 8.857 8.857 8.595 0.262 18987 7317 1 12 . 1 1 106 106 GLY N N 106 108.363 108.363 113.549 -5.186 18987 7318 1 12 . 1 1 106 106 GLY C C 106 172.100 172.100 173.392 -1.292 18987 7319 1 12 . 1 1 106 106 GLY CA C 106 44.870 44.870 44.997 -0.127 18987 7320 1 12 . 1 1 106 106 GLY H H 106 8.241 8.241 8.620 -0.379 18987 7321 1 12 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.902 -0.214 18987 7322 1 12 . 1 1 107 107 PHE CA C 107 58.000 58.000 57.251 0.749 18987 7323 1 12 . 1 1 107 107 PHE CB C 107 41.620 41.620 38.958 2.662 18987 7324 1 12 . 1 1 108 108 LYS N N 108 129.677 129.677 128.312 1.365 18987 7325 1 12 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.204 -0.302 18987 7326 1 12 . 1 1 108 108 LYS CA C 108 54.650 54.650 54.805 -0.155 18987 7327 1 12 . 1 1 108 108 LYS CB C 108 34.130 34.130 34.237 -0.107 18987 7328 1 12 . 1 1 108 108 LYS H H 108 7.351 7.351 7.490 -0.139 18987 7329 1 12 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.347 -0.387 18987 7330 1 12 . 1 1 109 109 GLU C C 109 177.255 177.255 177.576 -0.321 18987 7331 1 12 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.796 1.044 18987 7332 1 12 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.375 -0.075 18987 7333 1 12 . 1 1 110 110 ASP N N 110 115.831 115.831 118.672 -2.841 18987 7334 1 12 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.274 -0.117 18987 7335 1 12 . 1 1 110 110 ASP C C 110 178.456 178.456 178.538 -0.082 18987 7336 1 12 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.419 -0.509 18987 7337 1 12 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.231 -1.021 18987 7338 1 12 . 1 1 110 110 ASP H H 110 8.654 8.654 8.213 0.441 18987 7339 1 12 . 1 1 111 111 GLN N N 111 119.458 119.458 117.321 2.137 18987 7340 1 12 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.918 0.163 18987 7341 1 12 . 1 1 111 111 GLN C C 111 179.189 179.189 178.605 0.584 18987 7342 1 12 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.640 -0.500 18987 7343 1 12 . 1 1 111 111 GLN CB C 111 28.850 28.850 28.110 0.740 18987 7344 1 12 . 1 1 111 111 GLN H H 111 6.993 6.993 8.265 -1.272 18987 7345 1 12 . 1 1 112 112 TYR N N 112 124.973 124.973 118.960 6.013 18987 7346 1 12 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.350 -0.423 18987 7347 1 12 . 1 1 112 112 TYR C C 112 178.254 178.254 178.156 0.098 18987 7348 1 12 . 1 1 112 112 TYR CA C 112 62.690 62.690 60.525 2.165 18987 7349 1 12 . 1 1 112 112 TYR CB C 112 36.660 36.660 37.910 -1.250 18987 7350 1 12 . 1 1 112 112 TYR H H 112 8.289 8.289 7.677 0.612 18987 7351 1 12 . 1 1 113 113 LYS N N 113 118.329 118.329 118.997 -0.668 18987 7352 1 12 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.179 -0.266 18987 7353 1 12 . 1 1 113 113 LYS C C 113 178.296 178.296 177.986 0.310 18987 7354 1 12 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.613 1.467 18987 7355 1 12 . 1 1 113 113 LYS CB C 113 32.810 32.810 31.999 0.811 18987 7356 1 12 . 1 1 113 113 LYS H H 113 8.310 8.310 8.157 0.153 18987 7357 1 12 . 1 1 114 114 GLU N N 114 115.605 115.605 120.050 -4.445 18987 7358 1 12 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.217 -0.321 18987 7359 1 12 . 1 1 114 114 GLU C C 114 177.308 177.308 178.207 -0.899 18987 7360 1 12 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.575 -0.265 18987 7361 1 12 . 1 1 114 114 GLU CB C 114 30.140 30.140 29.867 0.273 18987 7362 1 12 . 1 1 114 114 GLU H H 114 7.603 7.603 8.103 -0.500 18987 7363 1 12 . 1 1 115 115 THR N N 115 112.256 112.256 113.846 -1.590 18987 7364 1 12 . 1 1 115 115 THR HA H 115 3.666 3.666 4.093 -0.427 18987 7365 1 12 . 1 1 115 115 THR C C 115 174.672 174.672 175.097 -0.425 18987 7366 1 12 . 1 1 115 115 THR CA C 115 65.710 65.710 65.166 0.544 18987 7367 1 12 . 1 1 115 115 THR CB C 115 68.700 68.700 69.390 -0.690 18987 7368 1 12 . 1 1 115 115 THR H H 115 7.591 7.591 8.005 -0.414 18987 7369 1 12 . 1 1 116 116 TRP N N 116 116.495 116.495 118.310 -1.815 18987 7370 1 12 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.708 0.595 18987 7371 1 12 . 1 1 116 116 TRP C C 116 176.553 176.553 176.682 -0.129 18987 7372 1 12 . 1 1 116 116 TRP CA C 116 55.620 55.620 57.284 -1.664 18987 7373 1 12 . 1 1 116 116 TRP CB C 116 31.430 31.430 30.822 0.608 18987 7374 1 12 . 1 1 116 116 TRP H H 116 7.661 7.661 7.422 0.239 18987 7375 1 12 . 1 1 117 117 LEU N N 117 116.588 116.588 117.349 -0.761 18987 7376 1 12 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.423 0.179 18987 7377 1 12 . 1 1 117 117 LEU C C 117 175.788 175.788 177.092 -1.304 18987 7378 1 12 . 1 1 117 117 LEU CA C 117 53.860 53.860 54.804 -0.944 18987 7379 1 12 . 1 1 117 117 LEU CB C 117 40.880 40.880 42.356 -1.476 18987 7380 1 12 . 1 1 117 117 LEU H H 117 6.922 6.922 7.620 -0.698 18987 7381 1 13 . 1 1 2 2 ILE N N 2 124.348 124.348 122.398 1.950 18987 7382 1 13 . 1 1 2 2 ILE HA H 2 3.576 3.576 4.020 -0.444 18987 7383 1 13 . 1 1 2 2 ILE C C 2 175.884 175.884 176.448 -0.564 18987 7384 1 13 . 1 1 2 2 ILE CA C 2 62.790 62.790 62.162 0.628 18987 7385 1 13 . 1 1 2 2 ILE CB C 2 40.400 40.400 36.851 3.549 18987 7386 1 13 . 1 1 2 2 ILE H H 2 7.539 7.539 8.250 -0.711 18987 7387 1 13 . 1 1 3 3 LYS N N 3 128.600 128.600 128.818 -0.218 18987 7388 1 13 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.072 0.263 18987 7389 1 13 . 1 1 3 3 LYS C C 3 173.322 173.322 175.700 -2.378 18987 7390 1 13 . 1 1 3 3 LYS CA C 3 56.630 56.630 55.232 1.398 18987 7391 1 13 . 1 1 3 3 LYS CB C 3 32.800 32.800 30.330 2.470 18987 7392 1 13 . 1 1 3 3 LYS H H 3 8.524 8.524 8.474 0.050 18987 7393 1 13 . 1 1 4 4 PHE N N 4 128.560 128.560 127.502 1.058 18987 7394 1 13 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.754 0.081 18987 7395 1 13 . 1 1 4 4 PHE C C 4 172.546 172.546 173.815 -1.269 18987 7396 1 13 . 1 1 4 4 PHE CA C 4 56.570 56.570 55.879 0.691 18987 7397 1 13 . 1 1 4 4 PHE CB C 4 42.600 42.600 38.988 3.612 18987 7398 1 13 . 1 1 4 4 PHE H H 4 8.412 8.412 8.123 0.289 18987 7399 1 13 . 1 1 5 5 TYR N N 5 125.785 125.785 127.927 -2.142 18987 7400 1 13 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.436 -0.310 18987 7401 1 13 . 1 1 5 5 TYR C C 5 175.852 175.852 174.829 1.023 18987 7402 1 13 . 1 1 5 5 TYR CA C 5 57.980 57.980 57.494 0.486 18987 7403 1 13 . 1 1 5 5 TYR CB C 5 38.550 38.550 38.558 -0.008 18987 7404 1 13 . 1 1 5 5 TYR H H 5 9.313 9.313 8.618 0.695 18987 7405 1 13 . 1 1 6 6 GLN N N 6 117.436 117.436 121.080 -3.644 18987 7406 1 13 . 1 1 6 6 GLN HA H 6 4.622 4.622 5.181 -0.559 18987 7407 1 13 . 1 1 6 6 GLN C C 6 171.951 171.951 173.631 -1.680 18987 7408 1 13 . 1 1 6 6 GLN CA C 6 53.430 53.430 53.086 0.344 18987 7409 1 13 . 1 1 6 6 GLN CB C 6 30.490 30.490 33.005 -2.515 18987 7410 1 13 . 1 1 6 6 GLN H H 6 9.110 9.110 8.560 0.550 18987 7411 1 13 . 1 1 7 7 TYR N N 7 116.309 116.309 118.439 -2.130 18987 7412 1 13 . 1 1 7 7 TYR HA H 7 4.953 4.953 5.341 -0.388 18987 7413 1 13 . 1 1 7 7 TYR CA C 7 56.130 56.130 57.176 -1.046 18987 7414 1 13 . 1 1 7 7 TYR CB C 7 42.860 42.860 42.562 0.298 18987 7415 1 13 . 1 1 7 7 TYR H H 7 7.075 7.075 8.667 -1.592 18987 7416 1 13 . 1 1 12 12 THR HA H 12 3.868 3.868 3.750 0.118 18987 7417 1 13 . 1 1 12 12 THR C C 12 176.203 176.203 175.939 0.264 18987 7418 1 13 . 1 1 12 12 THR CA C 12 65.930 65.930 67.116 -1.186 18987 7419 1 13 . 1 1 12 12 THR CB C 12 68.630 68.630 68.528 0.102 18987 7420 1 13 . 1 1 13 13 CYS N N 13 116.721 116.721 120.197 -3.476 18987 7421 1 13 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.119 0.112 18987 7422 1 13 . 1 1 13 13 CYS C C 13 174.938 174.938 176.294 -1.356 18987 7423 1 13 . 1 1 13 13 CYS CA C 13 63.790 63.790 63.523 0.267 18987 7424 1 13 . 1 1 13 13 CYS CB C 13 33.590 33.590 27.589 6.001 18987 7425 1 13 . 1 1 13 13 CYS H H 13 8.441 8.441 7.769 0.672 18987 7426 1 13 . 1 1 14 14 LYS N N 14 119.429 119.429 117.912 1.517 18987 7427 1 13 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.191 -0.154 18987 7428 1 13 . 1 1 14 14 LYS C C 14 179.370 179.370 179.333 0.037 18987 7429 1 13 . 1 1 14 14 LYS CA C 14 59.150 59.150 58.370 0.781 18987 7430 1 13 . 1 1 14 14 LYS CB C 14 32.270 32.270 31.943 0.327 18987 7431 1 13 . 1 1 14 14 LYS H H 14 7.805 7.805 7.668 0.137 18987 7432 1 13 . 1 1 15 15 LYS N N 15 119.379 119.379 119.772 -0.393 18987 7433 1 13 . 1 1 15 15 LYS HA H 15 3.677 3.677 4.176 -0.499 18987 7434 1 13 . 1 1 15 15 LYS C C 15 177.999 177.999 179.141 -1.142 18987 7435 1 13 . 1 1 15 15 LYS CA C 15 59.270 59.270 58.463 0.807 18987 7436 1 13 . 1 1 15 15 LYS CB C 15 32.630 32.630 31.771 0.859 18987 7437 1 13 . 1 1 15 15 LYS H H 15 7.612 7.612 7.583 0.029 18987 7438 1 13 . 1 1 16 16 ALA N N 16 122.940 122.940 121.555 1.385 18987 7439 1 13 . 1 1 16 16 ALA HA H 16 2.906 2.906 4.283 -1.377 18987 7440 1 13 . 1 1 16 16 ALA C C 16 177.999 177.999 179.394 -1.395 18987 7441 1 13 . 1 1 16 16 ALA CA C 16 54.370 54.370 55.135 -0.765 18987 7442 1 13 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.364 0.906 18987 7443 1 13 . 1 1 16 16 ALA H H 16 7.346 7.346 8.455 -1.109 18987 7444 1 13 . 1 1 17 17 ALA N N 17 120.093 120.093 120.614 -0.521 18987 7445 1 13 . 1 1 17 17 ALA HA H 17 2.965 2.965 2.952 0.013 18987 7446 1 13 . 1 1 17 17 ALA C C 17 178.466 178.466 179.208 -0.742 18987 7447 1 13 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.668 0.202 18987 7448 1 13 . 1 1 17 17 ALA CB C 17 17.270 17.270 18.197 -0.927 18987 7449 1 13 . 1 1 17 17 ALA H H 17 7.959 7.959 7.838 0.121 18987 7450 1 13 . 1 1 18 18 LYS N N 18 115.894 115.894 119.410 -3.516 18987 7451 1 13 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.065 -0.100 18987 7452 1 13 . 1 1 18 18 LYS C C 18 178.647 178.647 178.461 0.186 18987 7453 1 13 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.284 0.626 18987 7454 1 13 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.015 0.165 18987 7455 1 13 . 1 1 18 18 LYS H H 18 7.565 7.565 7.769 -0.204 18987 7456 1 13 . 1 1 19 19 PHE N N 19 120.854 120.854 120.408 0.446 18987 7457 1 13 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.270 -0.031 18987 7458 1 13 . 1 1 19 19 PHE C C 19 176.925 176.925 177.375 -0.450 18987 7459 1 13 . 1 1 19 19 PHE CA C 19 61.730 61.730 61.879 -0.149 18987 7460 1 13 . 1 1 19 19 PHE CB C 19 39.140 39.140 39.266 -0.126 18987 7461 1 13 . 1 1 19 19 PHE H H 19 7.496 7.496 7.949 -0.453 18987 7462 1 13 . 1 1 20 20 LEU N N 20 118.913 118.913 118.325 0.588 18987 7463 1 13 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.648 0.250 18987 7464 1 13 . 1 1 20 20 LEU C C 20 179.657 179.657 178.197 1.460 18987 7465 1 13 . 1 1 20 20 LEU CA C 20 58.330 58.330 57.555 0.775 18987 7466 1 13 . 1 1 20 20 LEU CB C 20 40.460 40.460 40.965 -0.505 18987 7467 1 13 . 1 1 20 20 LEU H H 20 8.012 8.012 7.776 0.236 18987 7468 1 13 . 1 1 21 21 ASP N N 21 118.448 118.448 118.696 -0.248 18987 7469 1 13 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.419 0.037 18987 7470 1 13 . 1 1 21 21 ASP C C 21 180.358 180.358 178.535 1.823 18987 7471 1 13 . 1 1 21 21 ASP CA C 21 57.680 57.680 57.242 0.438 18987 7472 1 13 . 1 1 21 21 ASP CB C 21 40.520 40.520 41.118 -0.598 18987 7473 1 13 . 1 1 21 21 ASP H H 21 8.814 8.814 7.818 0.996 18987 7474 1 13 . 1 1 22 22 GLU N N 22 122.661 122.661 120.142 2.519 18987 7475 1 13 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.032 -0.290 18987 7476 1 13 . 1 1 22 22 GLU C C 22 178.371 178.371 178.130 0.241 18987 7477 1 13 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.520 0.720 18987 7478 1 13 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.415 -0.635 18987 7479 1 13 . 1 1 22 22 GLU H H 22 8.544 8.544 7.911 0.633 18987 7480 1 13 . 1 1 23 23 TYR N N 23 114.768 114.768 116.613 -1.845 18987 7481 1 13 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.372 -0.122 18987 7482 1 13 . 1 1 23 23 TYR C C 23 175.724 175.724 176.027 -0.303 18987 7483 1 13 . 1 1 23 23 TYR CA C 23 59.070 59.070 58.482 0.588 18987 7484 1 13 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.903 0.117 18987 7485 1 13 . 1 1 23 23 TYR H H 23 7.522 7.522 7.656 -0.134 18987 7486 1 13 . 1 1 24 24 GLY N N 24 110.449 110.449 108.339 2.110 18987 7487 1 13 . 1 1 24 24 GLY C C 24 174.534 174.534 174.605 -0.071 18987 7488 1 13 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.249 1.871 18987 7489 1 13 . 1 1 24 24 GLY H H 24 7.792 7.792 7.263 0.529 18987 7490 1 13 . 1 1 25 25 VAL N N 25 122.714 122.714 120.352 2.362 18987 7491 1 13 . 1 1 25 25 VAL HA H 25 3.959 3.959 4.014 -0.055 18987 7492 1 13 . 1 1 25 25 VAL C C 25 176.266 176.266 175.811 0.455 18987 7493 1 13 . 1 1 25 25 VAL CA C 25 62.000 62.000 62.299 -0.299 18987 7494 1 13 . 1 1 25 25 VAL CB C 25 32.480 32.480 32.236 0.244 18987 7495 1 13 . 1 1 25 25 VAL H H 25 8.393 8.393 8.008 0.385 18987 7496 1 13 . 1 1 26 26 SER N N 26 123.498 123.498 124.507 -1.009 18987 7497 1 13 . 1 1 26 26 SER HA H 26 4.351 4.351 4.384 -0.033 18987 7498 1 13 . 1 1 26 26 SER C C 26 173.513 173.513 173.235 0.278 18987 7499 1 13 . 1 1 26 26 SER CA C 26 59.040 59.040 58.347 0.693 18987 7500 1 13 . 1 1 26 26 SER CB C 26 63.530 63.530 61.608 1.922 18987 7501 1 13 . 1 1 26 26 SER H H 26 8.559 8.559 8.752 -0.193 18987 7502 1 13 . 1 1 27 27 TYR N N 27 119.756 119.756 121.562 -1.806 18987 7503 1 13 . 1 1 27 27 TYR HA H 27 4.983 4.983 4.954 0.029 18987 7504 1 13 . 1 1 27 27 TYR C C 27 172.355 172.355 175.149 -2.794 18987 7505 1 13 . 1 1 27 27 TYR CA C 27 55.750 55.750 54.250 1.500 18987 7506 1 13 . 1 1 27 27 TYR CB C 27 40.730 40.730 39.987 0.743 18987 7507 1 13 . 1 1 27 27 TYR H H 27 7.838 7.838 7.791 0.047 18987 7508 1 13 . 1 1 28 28 GLU N N 28 123.126 123.126 124.472 -1.346 18987 7509 1 13 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.626 0.102 18987 7510 1 13 . 1 1 28 28 GLU CA C 28 51.420 51.420 52.443 -1.023 18987 7511 1 13 . 1 1 28 28 GLU CB C 28 31.790 31.790 30.192 1.598 18987 7512 1 13 . 1 1 28 28 GLU H H 28 9.006 9.006 8.821 0.185 18987 7513 1 13 . 1 1 29 29 PRO HA H 29 5.619 5.619 4.883 0.736 18987 7514 1 13 . 1 1 29 29 PRO C C 29 177.276 177.276 175.941 1.335 18987 7515 1 13 . 1 1 29 29 PRO CA C 29 61.820 61.820 62.884 -1.064 18987 7516 1 13 . 1 1 29 29 PRO CB C 29 31.890 31.890 30.959 0.931 18987 7517 1 13 . 1 1 30 30 ILE N N 30 127.043 127.043 119.137 7.906 18987 7518 1 13 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.443 -0.339 18987 7519 1 13 . 1 1 30 30 ILE C C 30 174.948 174.948 174.225 0.723 18987 7520 1 13 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.792 1.568 18987 7521 1 13 . 1 1 30 30 ILE CB C 30 42.210 42.210 40.598 1.612 18987 7522 1 13 . 1 1 30 30 ILE H H 30 9.148 9.148 8.211 0.937 18987 7523 1 13 . 1 1 31 31 ASP N N 31 128.946 128.946 124.520 4.426 18987 7524 1 13 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.329 -0.437 18987 7525 1 13 . 1 1 31 31 ASP C C 31 176.373 176.373 177.168 -0.795 18987 7526 1 13 . 1 1 31 31 ASP CA C 31 54.600 54.600 55.959 -1.359 18987 7527 1 13 . 1 1 31 31 ASP CB C 31 42.920 42.920 42.205 0.715 18987 7528 1 13 . 1 1 31 31 ASP H H 31 9.092 9.092 9.008 0.084 18987 7529 1 13 . 1 1 32 32 ILE N N 32 127.576 127.576 126.081 1.495 18987 7530 1 13 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.102 -0.010 18987 7531 1 13 . 1 1 32 32 ILE C C 32 174.013 174.013 176.397 -2.384 18987 7532 1 13 . 1 1 32 32 ILE CA C 32 62.520 62.520 63.509 -0.989 18987 7533 1 13 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.557 2.192 18987 7534 1 13 . 1 1 32 32 ILE H H 32 9.362 9.362 8.865 0.497 18987 7535 1 13 . 1 1 33 33 VAL N N 33 123.498 123.498 118.701 4.797 18987 7536 1 13 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.861 -0.218 18987 7537 1 13 . 1 1 33 33 VAL C C 33 176.819 176.819 177.960 -1.141 18987 7538 1 13 . 1 1 33 33 VAL CA C 33 65.050 65.050 64.106 0.944 18987 7539 1 13 . 1 1 33 33 VAL CB C 33 31.970 31.970 31.270 0.700 18987 7540 1 13 . 1 1 33 33 VAL H H 33 8.445 8.445 8.068 0.377 18987 7541 1 13 . 1 1 34 34 GLN N N 34 119.897 119.897 118.941 0.956 18987 7542 1 13 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.075 -0.122 18987 7543 1 13 . 1 1 34 34 GLN C C 34 176.734 176.734 176.280 0.454 18987 7544 1 13 . 1 1 34 34 GLN CA C 34 57.540 57.540 57.949 -0.409 18987 7545 1 13 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.056 0.804 18987 7546 1 13 . 1 1 34 34 GLN H H 34 8.650 8.650 8.452 0.198 18987 7547 1 13 . 1 1 35 35 HIS N N 35 118.090 118.090 116.270 1.820 18987 7548 1 13 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.934 0.029 18987 7549 1 13 . 1 1 35 35 HIS C C 35 173.758 173.758 173.970 -0.212 18987 7550 1 13 . 1 1 35 35 HIS CA C 35 53.660 53.660 54.915 -1.255 18987 7551 1 13 . 1 1 35 35 HIS CB C 35 29.190 29.190 31.034 -1.843 18987 7552 1 13 . 1 1 35 35 HIS H H 35 8.178 8.178 7.753 0.425 18987 7553 1 13 . 1 1 36 36 THR N N 36 118.794 118.794 119.537 -0.743 18987 7554 1 13 . 1 1 36 36 THR HA H 36 4.142 4.142 4.363 -0.221 18987 7555 1 13 . 1 1 36 36 THR CA C 36 62.080 62.080 62.529 -0.449 18987 7556 1 13 . 1 1 36 36 THR CB C 36 70.180 70.180 68.431 1.749 18987 7557 1 13 . 1 1 36 36 THR H H 36 7.468 7.468 7.526 -0.058 18987 7558 1 13 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.347 -0.072 18987 7559 1 13 . 1 1 37 37 PRO C C 37 174.970 174.970 176.290 -1.320 18987 7560 1 13 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.532 0.438 18987 7561 1 13 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.565 -2.135 18987 7562 1 13 . 1 1 38 38 THR N N 38 111.512 111.512 112.687 -1.175 18987 7563 1 13 . 1 1 38 38 THR HA H 38 4.298 4.298 4.362 -0.064 18987 7564 1 13 . 1 1 38 38 THR C C 38 175.756 175.756 176.475 -0.719 18987 7565 1 13 . 1 1 38 38 THR CA C 38 60.700 60.700 61.045 -0.345 18987 7566 1 13 . 1 1 38 38 THR CB C 38 71.560 71.560 70.292 1.268 18987 7567 1 13 . 1 1 38 38 THR H H 38 8.220 8.220 8.038 0.182 18987 7568 1 13 . 1 1 39 39 ILE N N 39 119.950 119.950 121.365 -1.415 18987 7569 1 13 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.849 -0.172 18987 7570 1 13 . 1 1 39 39 ILE C C 39 177.871 177.871 177.756 0.115 18987 7571 1 13 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.491 1.609 18987 7572 1 13 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.594 0.545 18987 7573 1 13 . 1 1 39 39 ILE H H 39 8.763 8.763 8.693 0.070 18987 7574 1 13 . 1 1 40 40 ASN N N 40 116.189 116.189 117.488 -1.299 18987 7575 1 13 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.479 -0.130 18987 7576 1 13 . 1 1 40 40 ASN C C 40 178.445 178.445 177.752 0.693 18987 7577 1 13 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.141 0.189 18987 7578 1 13 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.526 0.414 18987 7579 1 13 . 1 1 40 40 ASN H H 40 8.180 8.180 8.435 -0.255 18987 7580 1 13 . 1 1 41 41 GLU N N 41 121.970 121.970 120.832 1.138 18987 7581 1 13 . 1 1 41 41 GLU HA H 41 3.915 3.915 4.050 -0.135 18987 7582 1 13 . 1 1 41 41 GLU C C 41 180.093 180.093 178.855 1.238 18987 7583 1 13 . 1 1 41 41 GLU CA C 41 59.590 59.590 58.985 0.605 18987 7584 1 13 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.150 0.600 18987 7585 1 13 . 1 1 41 41 GLU H H 41 7.782 7.782 7.671 0.111 18987 7586 1 13 . 1 1 42 42 PHE N N 42 118.929 118.929 119.250 -0.321 18987 7587 1 13 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.123 0.047 18987 7588 1 13 . 1 1 42 42 PHE C C 42 178.488 178.488 177.551 0.937 18987 7589 1 13 . 1 1 42 42 PHE CA C 42 63.020 63.020 61.955 1.065 18987 7590 1 13 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.651 0.579 18987 7591 1 13 . 1 1 42 42 PHE H H 42 8.776 8.776 8.325 0.451 18987 7592 1 13 . 1 1 43 43 LYS N N 43 118.820 118.820 118.378 0.442 18987 7593 1 13 . 1 1 43 43 LYS HA H 43 3.795 3.795 4.012 -0.217 18987 7594 1 13 . 1 1 43 43 LYS C C 43 179.816 179.816 179.393 0.423 18987 7595 1 13 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.551 1.599 18987 7596 1 13 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.964 0.276 18987 7597 1 13 . 1 1 43 43 LYS H H 43 8.775 8.775 8.099 0.676 18987 7598 1 13 . 1 1 44 44 THR N N 44 118.754 118.754 117.462 1.292 18987 7599 1 13 . 1 1 44 44 THR HA H 44 3.894 3.894 4.093 -0.199 18987 7600 1 13 . 1 1 44 44 THR C C 44 175.214 175.214 176.552 -1.338 18987 7601 1 13 . 1 1 44 44 THR CA C 44 66.900 66.900 66.673 0.227 18987 7602 1 13 . 1 1 44 44 THR CB C 44 68.920 68.920 68.820 0.100 18987 7603 1 13 . 1 1 44 44 THR H H 44 7.959 7.959 7.904 0.055 18987 7604 1 13 . 1 1 45 45 ILE N N 45 122.671 122.671 119.239 3.432 18987 7605 1 13 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.879 -0.072 18987 7606 1 13 . 1 1 45 45 ILE C C 45 180.273 180.273 177.917 2.356 18987 7607 1 13 . 1 1 45 45 ILE CA C 45 66.050 66.050 65.040 1.010 18987 7608 1 13 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.347 1.403 18987 7609 1 13 . 1 1 45 45 ILE H H 45 8.100 8.100 7.832 0.268 18987 7610 1 13 . 1 1 46 46 ILE N N 46 123.392 123.392 121.121 2.271 18987 7611 1 13 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.927 -0.402 18987 7612 1 13 . 1 1 46 46 ILE C C 46 178.509 178.509 177.583 0.926 18987 7613 1 13 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.752 1.058 18987 7614 1 13 . 1 1 46 46 ILE CB C 46 38.110 38.110 37.825 0.285 18987 7615 1 13 . 1 1 46 46 ILE H H 46 8.778 8.778 8.132 0.646 18987 7616 1 13 . 1 1 47 47 ALA N N 47 123.336 123.336 121.932 1.404 18987 7617 1 13 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.061 -0.013 18987 7618 1 13 . 1 1 47 47 ALA C C 47 180.114 180.114 178.947 1.167 18987 7619 1 13 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.917 -0.017 18987 7620 1 13 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.417 -0.087 18987 7621 1 13 . 1 1 47 47 ALA H H 47 8.232 8.232 7.749 0.483 18987 7622 1 13 . 1 1 48 48 ASN N N 48 114.090 114.090 115.705 -1.615 18987 7623 1 13 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.596 -0.106 18987 7624 1 13 . 1 1 48 48 ASN C C 48 177.776 177.776 178.003 -0.227 18987 7625 1 13 . 1 1 48 48 ASN CA C 48 55.070 55.070 55.441 -0.370 18987 7626 1 13 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.185 -0.515 18987 7627 1 13 . 1 1 48 48 ASN H H 48 8.464 8.464 8.057 0.407 18987 7628 1 13 . 1 1 49 49 THR N N 49 106.742 106.742 110.104 -3.362 18987 7629 1 13 . 1 1 49 49 THR HA H 49 4.471 4.471 4.633 -0.162 18987 7630 1 13 . 1 1 49 49 THR C C 49 176.968 176.968 176.021 0.947 18987 7631 1 13 . 1 1 49 49 THR CA C 49 62.550 62.550 63.532 -0.982 18987 7632 1 13 . 1 1 49 49 THR CB C 49 72.150 72.150 70.148 2.002 18987 7633 1 13 . 1 1 49 49 THR H H 49 8.035 8.035 8.088 -0.053 18987 7634 1 13 . 1 1 50 50 GLY N N 50 112.246 112.246 111.542 0.704 18987 7635 1 13 . 1 1 50 50 GLY C C 50 174.055 174.055 174.354 -0.299 18987 7636 1 13 . 1 1 50 50 GLY CA C 50 45.940 45.940 45.137 0.803 18987 7637 1 13 . 1 1 50 50 GLY H H 50 8.323 8.323 7.810 0.513 18987 7638 1 13 . 1 1 51 51 VAL N N 51 121.212 121.212 118.731 2.481 18987 7639 1 13 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.135 -0.260 18987 7640 1 13 . 1 1 51 51 VAL C C 51 173.120 173.120 175.592 -2.472 18987 7641 1 13 . 1 1 51 51 VAL CA C 51 61.380 61.380 61.276 0.104 18987 7642 1 13 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.271 -1.381 18987 7643 1 13 . 1 1 51 51 VAL H H 51 7.429 7.429 7.424 0.005 18987 7644 1 13 . 1 1 52 52 GLU N N 52 126.158 126.158 125.765 0.393 18987 7645 1 13 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.244 -0.135 18987 7646 1 13 . 1 1 52 52 GLU C C 52 178.190 178.190 176.818 1.372 18987 7647 1 13 . 1 1 52 52 GLU CA C 52 56.240 56.240 57.064 -0.824 18987 7648 1 13 . 1 1 52 52 GLU CB C 52 30.190 30.190 29.768 0.422 18987 7649 1 13 . 1 1 52 52 GLU H H 52 7.881 7.881 8.548 -0.667 18987 7650 1 13 . 1 1 53 53 ILE N N 53 125.807 125.807 125.193 0.614 18987 7651 1 13 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.850 -0.426 18987 7652 1 13 . 1 1 53 53 ILE C C 53 177.425 177.425 176.327 1.098 18987 7653 1 13 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.366 2.414 18987 7654 1 13 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.101 -0.141 18987 7655 1 13 . 1 1 53 53 ILE H H 53 8.430 8.430 8.701 -0.271 18987 7656 1 13 . 1 1 54 54 ASN N N 54 116.588 116.588 117.639 -1.051 18987 7657 1 13 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.742 -0.286 18987 7658 1 13 . 1 1 54 54 ASN C C 54 178.807 178.807 176.469 2.338 18987 7659 1 13 . 1 1 54 54 ASN CA C 54 55.770 55.770 55.584 0.186 18987 7660 1 13 . 1 1 54 54 ASN CB C 54 37.140 37.140 37.120 0.020 18987 7661 1 13 . 1 1 54 54 ASN H H 54 8.585 8.585 8.512 0.073 18987 7662 1 13 . 1 1 55 55 LYS N N 55 117.013 117.013 117.282 -0.269 18987 7663 1 13 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.219 -0.117 18987 7664 1 13 . 1 1 55 55 LYS C C 55 176.819 176.819 177.239 -0.420 18987 7665 1 13 . 1 1 55 55 LYS CA C 55 57.560 57.560 57.858 -0.298 18987 7666 1 13 . 1 1 55 55 LYS CB C 55 32.180 32.180 32.062 0.118 18987 7667 1 13 . 1 1 55 55 LYS H H 55 7.661 7.661 7.631 0.030 18987 7668 1 13 . 1 1 56 56 LEU N N 56 114.768 114.768 119.020 -4.252 18987 7669 1 13 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.234 -0.307 18987 7670 1 13 . 1 1 56 56 LEU C C 56 176.702 176.702 176.936 -0.234 18987 7671 1 13 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.663 0.258 18987 7672 1 13 . 1 1 56 56 LEU CB C 56 42.020 42.020 41.874 0.146 18987 7673 1 13 . 1 1 56 56 LEU H H 56 7.690 7.690 7.200 0.490 18987 7674 1 13 . 1 1 57 57 PHE N N 57 114.558 114.558 117.215 -2.657 18987 7675 1 13 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.628 -0.180 18987 7676 1 13 . 1 1 57 57 PHE C C 57 176.319 176.319 176.666 -0.347 18987 7677 1 13 . 1 1 57 57 PHE CA C 57 58.470 58.470 58.822 -0.352 18987 7678 1 13 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.654 1.046 18987 7679 1 13 . 1 1 57 57 PHE H H 57 7.032 7.032 7.486 -0.454 18987 7680 1 13 . 1 1 58 58 ASN N N 58 118.674 118.674 120.817 -2.143 18987 7681 1 13 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.535 -0.049 18987 7682 1 13 . 1 1 58 58 ASN CA C 58 51.540 51.540 53.822 -2.282 18987 7683 1 13 . 1 1 58 58 ASN CB C 58 36.910 36.910 38.778 -1.868 18987 7684 1 13 . 1 1 58 58 ASN H H 58 8.659 8.659 8.492 0.167 18987 7685 1 13 . 1 1 60 60 HIS HA H 60 4.562 4.562 3.947 0.615 18987 7686 1 13 . 1 1 60 60 HIS C C 60 176.309 176.309 176.776 -0.467 18987 7687 1 13 . 1 1 60 60 HIS CA C 60 55.920 55.920 59.312 -3.392 18987 7688 1 13 . 1 1 60 60 HIS CB C 60 30.890 30.890 28.341 2.549 18987 7689 1 13 . 1 1 61 61 GLY N N 61 106.925 106.925 109.460 -2.535 18987 7690 1 13 . 1 1 61 61 GLY CA C 61 45.180 45.180 46.855 -1.675 18987 7691 1 13 . 1 1 61 61 GLY H H 61 7.284 7.284 8.612 -1.328 18987 7692 1 13 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.179 -0.131 18987 7693 1 13 . 1 1 63 63 LYS C C 63 177.435 177.435 178.673 -1.238 18987 7694 1 13 . 1 1 63 63 LYS CA C 63 58.300 58.300 59.037 -0.737 18987 7695 1 13 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.743 -1.583 18987 7696 1 13 . 1 1 64 64 TYR N N 64 119.737 119.737 120.272 -0.535 18987 7697 1 13 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.039 -0.383 18987 7698 1 13 . 1 1 64 64 TYR C C 64 178.339 178.339 175.968 2.371 18987 7699 1 13 . 1 1 64 64 TYR CA C 64 61.610 61.610 61.937 -0.327 18987 7700 1 13 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.740 0.160 18987 7701 1 13 . 1 1 64 64 TYR H H 64 7.644 7.644 8.019 -0.375 18987 7702 1 13 . 1 1 65 65 ARG N N 65 118.236 118.236 114.793 3.443 18987 7703 1 13 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.383 -0.173 18987 7704 1 13 . 1 1 65 65 ARG C C 65 179.816 179.816 177.525 2.291 18987 7705 1 13 . 1 1 65 65 ARG CA C 65 59.090 59.090 56.826 2.264 18987 7706 1 13 . 1 1 65 65 ARG CB C 65 30.160 30.160 30.346 -0.186 18987 7707 1 13 . 1 1 65 65 ARG H H 65 7.358 7.358 7.438 -0.080 18987 7708 1 13 . 1 1 66 66 GLU N N 66 123.063 123.063 121.385 1.678 18987 7709 1 13 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.186 -0.269 18987 7710 1 13 . 1 1 66 66 GLU C C 66 178.626 178.626 177.875 0.751 18987 7711 1 13 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.769 0.681 18987 7712 1 13 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.705 -0.015 18987 7713 1 13 . 1 1 66 66 GLU H H 66 8.789 8.789 7.820 0.969 18987 7714 1 13 . 1 1 67 67 LEU N N 67 115.817 115.817 116.941 -1.124 18987 7715 1 13 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.234 -0.104 18987 7716 1 13 . 1 1 67 67 LEU C C 67 176.171 176.171 176.966 -0.795 18987 7717 1 13 . 1 1 67 67 LEU CA C 67 54.750 54.750 55.211 -0.461 18987 7718 1 13 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.596 -0.576 18987 7719 1 13 . 1 1 67 67 LEU H H 67 7.907 7.907 7.778 0.129 18987 7720 1 13 . 1 1 68 68 ASP N N 68 118.063 118.063 116.788 1.275 18987 7721 1 13 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.295 0.119 18987 7722 1 13 . 1 1 68 68 ASP C C 68 177.521 177.521 176.880 0.641 18987 7723 1 13 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.663 -0.263 18987 7724 1 13 . 1 1 68 68 ASP CB C 68 39.640 39.640 39.603 0.037 18987 7725 1 13 . 1 1 68 68 ASP H H 68 7.878 7.878 7.774 0.104 18987 7726 1 13 . 1 1 69 69 LEU N N 69 115.724 115.724 118.751 -3.027 18987 7727 1 13 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.735 -0.296 18987 7728 1 13 . 1 1 69 69 LEU C C 69 177.584 177.584 177.950 -0.366 18987 7729 1 13 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.221 0.259 18987 7730 1 13 . 1 1 69 69 LEU CB C 69 38.700 38.700 41.118 -2.418 18987 7731 1 13 . 1 1 69 69 LEU H H 69 7.285 7.285 7.586 -0.301 18987 7732 1 13 . 1 1 70 70 LYS N N 70 119.751 119.751 119.170 0.581 18987 7733 1 13 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.581 0.380 18987 7734 1 13 . 1 1 70 70 LYS C C 70 177.903 177.903 178.133 -0.230 18987 7735 1 13 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.666 0.814 18987 7736 1 13 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.553 0.427 18987 7737 1 13 . 1 1 70 70 LYS H H 70 8.601 8.601 7.279 1.322 18987 7738 1 13 . 1 1 71 71 ASN N N 71 113.386 113.386 116.594 -3.208 18987 7739 1 13 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.427 0.299 18987 7740 1 13 . 1 1 71 71 ASN C C 71 176.808 176.808 176.982 -0.174 18987 7741 1 13 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.913 -1.543 18987 7742 1 13 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.563 1.397 18987 7743 1 13 . 1 1 71 71 ASN H H 71 6.965 6.965 7.735 -0.770 18987 7744 1 13 . 1 1 72 72 LYS N N 72 118.475 118.475 119.005 -0.530 18987 7745 1 13 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.171 -0.022 18987 7746 1 13 . 1 1 72 72 LYS C C 72 178.849 178.849 178.322 0.527 18987 7747 1 13 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.343 -0.423 18987 7748 1 13 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.671 1.359 18987 7749 1 13 . 1 1 72 72 LYS H H 72 8.113 8.113 7.549 0.564 18987 7750 1 13 . 1 1 73 73 LEU N N 73 120.458 120.458 119.925 0.533 18987 7751 1 13 . 1 1 73 73 LEU HA H 73 3.599 3.599 3.942 -0.343 18987 7752 1 13 . 1 1 73 73 LEU C C 73 178.126 178.126 178.102 0.024 18987 7753 1 13 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.129 1.701 18987 7754 1 13 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.717 -0.817 18987 7755 1 13 . 1 1 73 73 LEU H H 73 8.549 8.549 7.954 0.595 18987 7756 1 13 . 1 1 74 74 GLN N N 74 112.719 112.719 114.380 -1.661 18987 7757 1 13 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.138 0.040 18987 7758 1 13 . 1 1 74 74 GLN C C 74 176.883 176.883 177.282 -0.399 18987 7759 1 13 . 1 1 74 74 GLN CA C 74 57.250 57.250 57.763 -0.513 18987 7760 1 13 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.782 -0.352 18987 7761 1 13 . 1 1 74 74 GLN H H 74 7.918 7.918 7.725 0.193 18987 7762 1 13 . 1 1 75 75 THR N N 75 108.336 108.336 113.896 -5.560 18987 7763 1 13 . 1 1 75 75 THR HA H 75 4.410 4.410 4.507 -0.097 18987 7764 1 13 . 1 1 75 75 THR C C 75 174.619 174.619 174.710 -0.091 18987 7765 1 13 . 1 1 75 75 THR CA C 75 61.760 61.760 61.741 0.019 18987 7766 1 13 . 1 1 75 75 THR CB C 75 69.950 69.950 69.764 0.185 18987 7767 1 13 . 1 1 75 75 THR H H 75 7.620 7.620 7.601 0.019 18987 7768 1 13 . 1 1 76 76 LEU N N 76 122.754 122.754 119.986 2.768 18987 7769 1 13 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.736 -0.248 18987 7770 1 13 . 1 1 76 76 LEU C C 76 177.234 177.234 175.973 1.261 18987 7771 1 13 . 1 1 76 76 LEU CA C 76 54.190 54.190 53.512 0.678 18987 7772 1 13 . 1 1 76 76 LEU CB C 76 44.040 44.040 42.608 1.433 18987 7773 1 13 . 1 1 76 76 LEU H H 76 7.191 7.191 7.647 -0.456 18987 7774 1 13 . 1 1 77 77 SER N N 77 119.431 119.431 114.009 5.422 18987 7775 1 13 . 1 1 77 77 SER HA H 77 4.465 4.465 4.685 -0.220 18987 7776 1 13 . 1 1 77 77 SER C C 77 175.320 175.320 174.860 0.460 18987 7777 1 13 . 1 1 77 77 SER CA C 77 57.360 57.360 56.696 0.664 18987 7778 1 13 . 1 1 77 77 SER CB C 77 65.080 65.080 65.231 -0.151 18987 7779 1 13 . 1 1 77 77 SER H H 77 9.367 9.367 8.359 1.008 18987 7780 1 13 . 1 1 78 78 ASP N N 78 122.766 122.766 122.380 0.386 18987 7781 1 13 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.317 -0.122 18987 7782 1 13 . 1 1 78 78 ASP C C 78 178.211 178.211 177.866 0.345 18987 7783 1 13 . 1 1 78 78 ASP CA C 78 58.470 58.470 58.203 0.267 18987 7784 1 13 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.675 -1.215 18987 7785 1 13 . 1 1 78 78 ASP H H 78 9.055 9.055 8.875 0.180 18987 7786 1 13 . 1 1 79 79 ASP N N 79 117.917 117.917 118.982 -1.065 18987 7787 1 13 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.398 -0.123 18987 7788 1 13 . 1 1 79 79 ASP C C 79 179.179 179.179 178.234 0.945 18987 7789 1 13 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.423 0.577 18987 7790 1 13 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.793 -0.483 18987 7791 1 13 . 1 1 79 79 ASP H H 79 8.245 8.245 8.775 -0.530 18987 7792 1 13 . 1 1 80 80 GLU N N 80 120.229 120.229 119.000 1.229 18987 7793 1 13 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.376 -0.459 18987 7794 1 13 . 1 1 80 80 GLU C C 80 180.369 180.369 179.053 1.316 18987 7795 1 13 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.562 0.738 18987 7796 1 13 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.710 1.210 18987 7797 1 13 . 1 1 80 80 GLU H H 80 7.732 7.732 7.809 -0.078 18987 7798 1 13 . 1 1 81 81 LYS N N 81 120.163 120.163 120.582 -0.419 18987 7799 1 13 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.292 -0.446 18987 7800 1 13 . 1 1 81 81 LYS C C 81 177.956 177.956 179.070 -1.114 18987 7801 1 13 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.631 1.309 18987 7802 1 13 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.507 1.113 18987 7803 1 13 . 1 1 81 81 LYS H H 81 8.340 8.340 7.483 0.857 18987 7804 1 13 . 1 1 82 82 LEU N N 82 117.478 117.478 119.368 -1.890 18987 7805 1 13 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.608 0.065 18987 7806 1 13 . 1 1 82 82 LEU C C 82 178.870 178.870 178.608 0.262 18987 7807 1 13 . 1 1 82 82 LEU CA C 82 57.770 57.770 57.986 -0.216 18987 7808 1 13 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.588 0.162 18987 7809 1 13 . 1 1 82 82 LEU H H 82 8.161 8.161 7.726 0.435 18987 7810 1 13 . 1 1 83 83 GLU N N 83 119.824 119.824 119.068 0.756 18987 7811 1 13 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.958 -0.218 18987 7812 1 13 . 1 1 83 83 GLU C C 83 179.009 179.009 179.638 -0.629 18987 7813 1 13 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.359 0.121 18987 7814 1 13 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.423 -0.083 18987 7815 1 13 . 1 1 83 83 GLU H H 83 7.999 7.999 7.691 0.308 18987 7816 1 13 . 1 1 84 84 LEU N N 84 119.684 119.684 120.047 -0.363 18987 7817 1 13 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.956 -0.014 18987 7818 1 13 . 1 1 84 84 LEU C C 84 179.264 179.264 178.998 0.266 18987 7819 1 13 . 1 1 84 84 LEU CA C 84 58.090 58.090 57.697 0.393 18987 7820 1 13 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.846 0.464 18987 7821 1 13 . 1 1 84 84 LEU H H 84 7.470 7.470 7.712 -0.242 18987 7822 1 13 . 1 1 85 85 LEU N N 85 119.086 119.086 118.540 0.546 18987 7823 1 13 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.650 -0.266 18987 7824 1 13 . 1 1 85 85 LEU C C 85 176.064 176.064 179.039 -2.975 18987 7825 1 13 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.290 0.570 18987 7826 1 13 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.024 1.336 18987 7827 1 13 . 1 1 85 85 LEU H H 85 7.726 7.726 7.672 0.054 18987 7828 1 13 . 1 1 86 86 SER N N 86 105.708 105.708 112.448 -6.740 18987 7829 1 13 . 1 1 86 86 SER HA H 86 4.283 4.283 4.689 -0.406 18987 7830 1 13 . 1 1 86 86 SER C C 86 176.351 176.351 175.697 0.654 18987 7831 1 13 . 1 1 86 86 SER CA C 86 60.380 60.380 60.415 -0.035 18987 7832 1 13 . 1 1 86 86 SER CB C 86 64.400 64.400 63.478 0.922 18987 7833 1 13 . 1 1 86 86 SER H H 86 7.617 7.617 7.886 -0.269 18987 7834 1 13 . 1 1 87 87 SER N N 87 115.392 115.392 115.667 -0.275 18987 7835 1 13 . 1 1 87 87 SER HA H 87 4.345 4.345 4.388 -0.043 18987 7836 1 13 . 1 1 87 87 SER C C 87 174.534 174.534 174.148 0.386 18987 7837 1 13 . 1 1 87 87 SER CA C 87 59.820 59.820 60.652 -0.832 18987 7838 1 13 . 1 1 87 87 SER CB C 87 64.340 64.340 63.960 0.380 18987 7839 1 13 . 1 1 87 87 SER H H 87 7.644 7.644 7.678 -0.034 18987 7840 1 13 . 1 1 88 88 ASP N N 88 120.295 120.295 119.464 0.831 18987 7841 1 13 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.758 -0.154 18987 7842 1 13 . 1 1 88 88 ASP C C 88 175.618 175.618 176.241 -0.623 18987 7843 1 13 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.554 0.456 18987 7844 1 13 . 1 1 88 88 ASP CB C 88 41.020 41.020 43.434 -2.414 18987 7845 1 13 . 1 1 88 88 ASP H H 88 7.104 7.104 7.545 -0.441 18987 7846 1 13 . 1 1 89 89 GLY N N 89 111.841 111.841 112.323 -0.482 18987 7847 1 13 . 1 1 89 89 GLY C C 89 176.171 176.171 175.299 0.872 18987 7848 1 13 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.899 0.781 18987 7849 1 13 . 1 1 89 89 GLY H H 89 9.325 9.325 8.733 0.592 18987 7850 1 13 . 1 1 90 90 MET N N 90 117.877 117.877 117.845 0.032 18987 7851 1 13 . 1 1 90 90 MET HA H 90 4.075 4.075 4.359 -0.283 18987 7852 1 13 . 1 1 90 90 MET C C 90 178.456 178.456 178.597 -0.141 18987 7853 1 13 . 1 1 90 90 MET CA C 90 56.400 56.400 56.313 0.087 18987 7854 1 13 . 1 1 90 90 MET CB C 90 30.540 30.540 31.883 -1.343 18987 7855 1 13 . 1 1 90 90 MET H H 90 8.593 8.593 7.575 1.018 18987 7856 1 13 . 1 1 91 91 LEU N N 91 118.027 118.027 119.718 -1.691 18987 7857 1 13 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.165 0.114 18987 7858 1 13 . 1 1 91 91 LEU C C 91 176.298 176.298 176.754 -0.456 18987 7859 1 13 . 1 1 91 91 LEU CA C 91 55.460 55.460 56.841 -1.381 18987 7860 1 13 . 1 1 91 91 LEU CB C 91 43.130 43.130 41.932 1.198 18987 7861 1 13 . 1 1 91 91 LEU H H 91 8.224 8.224 7.711 0.513 18987 7862 1 13 . 1 1 92 92 VAL N N 92 120.960 120.960 116.947 4.013 18987 7863 1 13 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.254 -0.253 18987 7864 1 13 . 1 1 92 92 VAL C C 92 175.990 175.990 176.180 -0.190 18987 7865 1 13 . 1 1 92 92 VAL CA C 92 61.150 61.150 61.870 -0.720 18987 7866 1 13 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.561 -0.291 18987 7867 1 13 . 1 1 92 92 VAL H H 92 7.093 7.093 7.154 -0.061 18987 7868 1 13 . 1 1 93 93 LYS N N 93 130.687 130.687 126.102 4.585 18987 7869 1 13 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.167 -0.461 18987 7870 1 13 . 1 1 93 93 LYS C C 93 171.855 171.855 177.165 -5.310 18987 7871 1 13 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.751 1.169 18987 7872 1 13 . 1 1 93 93 LYS CB C 93 32.800 32.800 31.630 1.170 18987 7873 1 13 . 1 1 93 93 LYS H H 93 8.442 8.442 8.065 0.377 18987 7874 1 13 . 1 1 94 94 ARG N N 94 115.791 115.791 123.982 -8.191 18987 7875 1 13 . 1 1 94 94 ARG H H 94 7.676 7.676 8.489 -0.813 18987 7876 1 13 . 1 1 95 95 PRO C C 95 175.108 175.108 175.513 -0.405 18987 7877 1 13 . 1 1 96 96 LEU N N 96 128.494 128.494 126.353 2.141 18987 7878 1 13 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.271 -0.290 18987 7879 1 13 . 1 1 96 96 LEU C C 96 173.216 173.216 173.961 -0.745 18987 7880 1 13 . 1 1 96 96 LEU CA C 96 54.870 54.870 54.104 0.766 18987 7881 1 13 . 1 1 96 96 LEU CB C 96 43.660 43.660 46.705 -3.045 18987 7882 1 13 . 1 1 96 96 LEU H H 96 8.246 8.246 8.885 -0.639 18987 7883 1 13 . 1 1 97 97 ALA N N 97 131.035 131.035 128.084 2.951 18987 7884 1 13 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.345 0.525 18987 7885 1 13 . 1 1 97 97 ALA C C 97 174.938 174.938 174.916 0.022 18987 7886 1 13 . 1 1 97 97 ALA CA C 97 49.850 49.850 50.831 -0.981 18987 7887 1 13 . 1 1 97 97 ALA CB C 97 20.070 20.070 21.913 -1.843 18987 7888 1 13 . 1 1 97 97 ALA H H 97 8.839 8.839 9.174 -0.335 18987 7889 1 13 . 1 1 98 98 VAL N N 98 119.830 119.830 124.590 -4.760 18987 7890 1 13 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.349 0.207 18987 7891 1 13 . 1 1 98 98 VAL C C 98 173.896 173.896 173.714 0.182 18987 7892 1 13 . 1 1 98 98 VAL CA C 98 59.270 59.270 60.299 -1.029 18987 7893 1 13 . 1 1 98 98 VAL CB C 98 35.970 35.970 36.754 -0.784 18987 7894 1 13 . 1 1 98 98 VAL H H 98 8.824 8.824 8.694 0.130 18987 7895 1 13 . 1 1 99 99 MET N N 99 127.537 127.537 122.473 5.064 18987 7896 1 13 . 1 1 99 99 MET HA H 99 4.430 4.430 5.051 -0.621 18987 7897 1 13 . 1 1 99 99 MET CA C 99 56.710 56.710 54.047 2.663 18987 7898 1 13 . 1 1 99 99 MET CB C 99 31.050 31.050 36.612 -5.562 18987 7899 1 13 . 1 1 99 99 MET H H 99 8.873 8.873 8.955 -0.082 18987 7900 1 13 . 1 1 100 100 GLY C C 100 173.024 173.024 173.395 -0.371 18987 7901 1 13 . 1 1 100 100 GLY CA C 100 47.970 47.970 45.803 2.167 18987 7902 1 13 . 1 1 101 101 ASP N N 101 124.308 124.308 117.576 6.732 18987 7903 1 13 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.619 -0.420 18987 7904 1 13 . 1 1 101 101 ASP C C 101 175.172 175.172 174.922 0.250 18987 7905 1 13 . 1 1 101 101 ASP CA C 101 53.310 53.310 54.733 -1.423 18987 7906 1 13 . 1 1 101 101 ASP CB C 101 40.170 40.170 41.347 -1.177 18987 7907 1 13 . 1 1 101 101 ASP H H 101 8.257 8.257 7.744 0.513 18987 7908 1 13 . 1 1 102 102 LYS N N 102 121.002 121.002 119.316 1.686 18987 7909 1 13 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.660 -0.254 18987 7910 1 13 . 1 1 102 102 LYS C C 102 174.257 174.257 174.387 -0.130 18987 7911 1 13 . 1 1 102 102 LYS CA C 102 55.370 55.370 54.961 0.409 18987 7912 1 13 . 1 1 102 102 LYS CB C 102 36.230 36.230 34.471 1.759 18987 7913 1 13 . 1 1 102 102 LYS H H 102 8.108 8.108 8.065 0.043 18987 7914 1 13 . 1 1 103 103 ILE N N 103 118.488 118.488 119.902 -1.414 18987 7915 1 13 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.180 0.679 18987 7916 1 13 . 1 1 103 103 ILE C C 103 173.652 173.652 173.791 -0.139 18987 7917 1 13 . 1 1 103 103 ILE CA C 103 58.620 58.620 59.901 -1.281 18987 7918 1 13 . 1 1 103 103 ILE CB C 103 42.250 42.250 42.191 0.058 18987 7919 1 13 . 1 1 103 103 ILE H H 103 8.038 8.038 8.068 -0.030 18987 7920 1 13 . 1 1 104 104 THR N N 104 115.441 115.441 118.282 -2.841 18987 7921 1 13 . 1 1 104 104 THR HA H 104 4.524 4.524 4.685 -0.161 18987 7922 1 13 . 1 1 104 104 THR C C 104 173.503 173.503 172.490 1.013 18987 7923 1 13 . 1 1 104 104 THR CA C 104 60.660 60.660 60.825 -0.165 18987 7924 1 13 . 1 1 104 104 THR CB C 104 72.460 72.460 71.906 0.554 18987 7925 1 13 . 1 1 104 104 THR H H 104 9.360 9.360 9.308 0.052 18987 7926 1 13 . 1 1 105 105 LEU N N 105 123.352 123.352 126.685 -3.333 18987 7927 1 13 . 1 1 105 105 LEU HA H 105 5.023 5.023 4.678 0.345 18987 7928 1 13 . 1 1 105 105 LEU C C 105 178.860 178.860 178.159 0.701 18987 7929 1 13 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.694 -1.654 18987 7930 1 13 . 1 1 105 105 LEU CB C 105 44.290 44.290 43.888 0.402 18987 7931 1 13 . 1 1 105 105 LEU H H 105 8.857 8.857 8.519 0.338 18987 7932 1 13 . 1 1 106 106 GLY N N 106 108.363 108.363 113.849 -5.486 18987 7933 1 13 . 1 1 106 106 GLY C C 106 172.100 172.100 173.778 -1.678 18987 7934 1 13 . 1 1 106 106 GLY CA C 106 44.870 44.870 44.772 0.098 18987 7935 1 13 . 1 1 106 106 GLY H H 106 8.241 8.241 8.539 -0.298 18987 7936 1 13 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.623 0.065 18987 7937 1 13 . 1 1 107 107 PHE CA C 107 58.000 58.000 57.061 0.939 18987 7938 1 13 . 1 1 107 107 PHE CB C 107 41.620 41.620 38.421 3.199 18987 7939 1 13 . 1 1 108 108 LYS N N 108 129.677 129.677 127.774 1.903 18987 7940 1 13 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.174 -0.272 18987 7941 1 13 . 1 1 108 108 LYS CA C 108 54.650 54.650 54.030 0.620 18987 7942 1 13 . 1 1 108 108 LYS CB C 108 34.130 34.130 31.084 3.046 18987 7943 1 13 . 1 1 108 108 LYS H H 108 7.351 7.351 7.326 0.025 18987 7944 1 13 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.273 -0.313 18987 7945 1 13 . 1 1 109 109 GLU C C 109 177.255 177.255 176.690 0.565 18987 7946 1 13 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.969 0.871 18987 7947 1 13 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.242 0.058 18987 7948 1 13 . 1 1 110 110 ASP N N 110 115.831 115.831 118.543 -2.712 18987 7949 1 13 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.283 -0.126 18987 7950 1 13 . 1 1 110 110 ASP C C 110 178.456 178.456 178.465 -0.009 18987 7951 1 13 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.940 -1.030 18987 7952 1 13 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.276 -1.066 18987 7953 1 13 . 1 1 110 110 ASP H H 110 8.654 8.654 8.370 0.284 18987 7954 1 13 . 1 1 111 111 GLN N N 111 119.458 119.458 117.237 2.221 18987 7955 1 13 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.949 0.132 18987 7956 1 13 . 1 1 111 111 GLN C C 111 179.189 179.189 178.422 0.767 18987 7957 1 13 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.492 -0.352 18987 7958 1 13 . 1 1 111 111 GLN CB C 111 28.850 28.850 28.105 0.745 18987 7959 1 13 . 1 1 111 111 GLN H H 111 6.993 6.993 8.316 -1.323 18987 7960 1 13 . 1 1 112 112 TYR N N 112 124.973 124.973 119.385 5.588 18987 7961 1 13 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.261 -0.334 18987 7962 1 13 . 1 1 112 112 TYR C C 112 178.254 178.254 177.989 0.265 18987 7963 1 13 . 1 1 112 112 TYR CA C 112 62.690 62.690 60.321 2.369 18987 7964 1 13 . 1 1 112 112 TYR CB C 112 36.660 36.660 37.707 -1.047 18987 7965 1 13 . 1 1 112 112 TYR H H 112 8.289 8.289 8.025 0.264 18987 7966 1 13 . 1 1 113 113 LYS N N 113 118.329 118.329 119.042 -0.713 18987 7967 1 13 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.137 -0.224 18987 7968 1 13 . 1 1 113 113 LYS C C 113 178.296 178.296 178.171 0.125 18987 7969 1 13 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.774 1.306 18987 7970 1 13 . 1 1 113 113 LYS CB C 113 32.810 32.810 31.925 0.885 18987 7971 1 13 . 1 1 113 113 LYS H H 113 8.310 8.310 7.971 0.339 18987 7972 1 13 . 1 1 114 114 GLU N N 114 115.605 115.605 118.766 -3.161 18987 7973 1 13 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.273 -0.377 18987 7974 1 13 . 1 1 114 114 GLU C C 114 177.308 177.308 177.794 -0.486 18987 7975 1 13 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.343 -0.033 18987 7976 1 13 . 1 1 114 114 GLU CB C 114 30.140 30.140 30.018 0.122 18987 7977 1 13 . 1 1 114 114 GLU H H 114 7.603 7.603 7.823 -0.220 18987 7978 1 13 . 1 1 115 115 THR N N 115 112.256 112.256 113.702 -1.446 18987 7979 1 13 . 1 1 115 115 THR HA H 115 3.666 3.666 4.180 -0.514 18987 7980 1 13 . 1 1 115 115 THR C C 115 174.672 174.672 175.105 -0.433 18987 7981 1 13 . 1 1 115 115 THR CA C 115 65.710 65.710 64.780 0.930 18987 7982 1 13 . 1 1 115 115 THR CB C 115 68.700 68.700 69.500 -0.800 18987 7983 1 13 . 1 1 115 115 THR H H 115 7.591 7.591 7.743 -0.152 18987 7984 1 13 . 1 1 116 116 TRP N N 116 116.495 116.495 119.197 -2.702 18987 7985 1 13 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.492 0.811 18987 7986 1 13 . 1 1 116 116 TRP C C 116 176.553 176.553 176.546 0.007 18987 7987 1 13 . 1 1 116 116 TRP CA C 116 55.620 55.620 58.063 -2.443 18987 7988 1 13 . 1 1 116 116 TRP CB C 116 31.430 31.430 30.167 1.263 18987 7989 1 13 . 1 1 116 116 TRP H H 116 7.661 7.661 7.506 0.155 18987 7990 1 13 . 1 1 117 117 LEU N N 117 116.588 116.588 116.080 0.508 18987 7991 1 13 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.475 0.127 18987 7992 1 13 . 1 1 117 117 LEU C C 117 175.788 175.788 176.736 -0.948 18987 7993 1 13 . 1 1 117 117 LEU CA C 117 53.860 53.860 54.040 -0.180 18987 7994 1 13 . 1 1 117 117 LEU CB C 117 40.880 40.880 42.907 -2.026 18987 7995 1 13 . 1 1 117 117 LEU H H 117 6.922 6.922 7.372 -0.450 18987 7996 1 14 . 1 1 2 2 ILE N N 2 124.348 124.348 125.925 -1.577 18987 7997 1 14 . 1 1 2 2 ILE HA H 2 3.576 3.576 3.917 -0.341 18987 7998 1 14 . 1 1 2 2 ILE C C 2 175.884 175.884 175.810 0.074 18987 7999 1 14 . 1 1 2 2 ILE CA C 2 62.790 62.790 61.738 1.052 18987 8000 1 14 . 1 1 2 2 ILE CB C 2 40.400 40.400 38.168 2.232 18987 8001 1 14 . 1 1 2 2 ILE H H 2 7.539 7.539 8.589 -1.050 18987 8002 1 14 . 1 1 3 3 LYS N N 3 128.600 128.600 127.188 1.412 18987 8003 1 14 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.313 0.022 18987 8004 1 14 . 1 1 3 3 LYS C C 3 173.322 173.322 175.583 -2.261 18987 8005 1 14 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.374 2.256 18987 8006 1 14 . 1 1 3 3 LYS CB C 3 32.800 32.800 30.849 1.951 18987 8007 1 14 . 1 1 3 3 LYS H H 3 8.524 8.524 8.591 -0.068 18987 8008 1 14 . 1 1 4 4 PHE N N 4 128.560 128.560 127.175 1.385 18987 8009 1 14 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.737 0.098 18987 8010 1 14 . 1 1 4 4 PHE C C 4 172.546 172.546 173.932 -1.386 18987 8011 1 14 . 1 1 4 4 PHE CA C 4 56.570 56.570 56.024 0.546 18987 8012 1 14 . 1 1 4 4 PHE CB C 4 42.600 42.600 39.189 3.411 18987 8013 1 14 . 1 1 4 4 PHE H H 4 8.412 8.412 8.087 0.325 18987 8014 1 14 . 1 1 5 5 TYR N N 5 125.785 125.785 127.266 -1.481 18987 8015 1 14 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.184 -0.058 18987 8016 1 14 . 1 1 5 5 TYR C C 5 175.852 175.852 175.306 0.546 18987 8017 1 14 . 1 1 5 5 TYR CA C 5 57.980 57.980 57.966 0.014 18987 8018 1 14 . 1 1 5 5 TYR CB C 5 38.550 38.550 38.883 -0.333 18987 8019 1 14 . 1 1 5 5 TYR H H 5 9.313 9.313 8.462 0.851 18987 8020 1 14 . 1 1 6 6 GLN N N 6 117.436 117.436 119.373 -1.937 18987 8021 1 14 . 1 1 6 6 GLN HA H 6 4.622 4.622 4.813 -0.191 18987 8022 1 14 . 1 1 6 6 GLN C C 6 171.951 171.951 173.404 -1.453 18987 8023 1 14 . 1 1 6 6 GLN CA C 6 53.430 53.430 53.606 -0.176 18987 8024 1 14 . 1 1 6 6 GLN CB C 6 30.490 30.490 32.586 -2.096 18987 8025 1 14 . 1 1 6 6 GLN H H 6 9.110 9.110 8.638 0.472 18987 8026 1 14 . 1 1 7 7 TYR N N 7 116.309 116.309 120.457 -4.148 18987 8027 1 14 . 1 1 7 7 TYR HA H 7 4.953 4.953 4.708 0.245 18987 8028 1 14 . 1 1 7 7 TYR CA C 7 56.130 56.130 58.760 -2.630 18987 8029 1 14 . 1 1 7 7 TYR CB C 7 42.860 42.860 40.652 2.208 18987 8030 1 14 . 1 1 7 7 TYR H H 7 7.075 7.075 8.463 -1.388 18987 8031 1 14 . 1 1 12 12 THR HA H 12 3.868 3.868 3.956 -0.088 18987 8032 1 14 . 1 1 12 12 THR C C 12 176.203 176.203 176.514 -0.311 18987 8033 1 14 . 1 1 12 12 THR CA C 12 65.930 65.930 65.981 -0.051 18987 8034 1 14 . 1 1 12 12 THR CB C 12 68.630 68.630 68.725 -0.095 18987 8035 1 14 . 1 1 13 13 CYS N N 13 116.721 116.721 121.567 -4.846 18987 8036 1 14 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.084 0.147 18987 8037 1 14 . 1 1 13 13 CYS C C 13 174.938 174.938 176.519 -1.581 18987 8038 1 14 . 1 1 13 13 CYS CA C 13 63.790 63.790 63.047 0.743 18987 8039 1 14 . 1 1 13 13 CYS CB C 13 33.590 33.590 27.674 5.916 18987 8040 1 14 . 1 1 13 13 CYS H H 13 8.441 8.441 8.522 -0.081 18987 8041 1 14 . 1 1 14 14 LYS N N 14 119.429 119.429 118.361 1.068 18987 8042 1 14 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.168 -0.131 18987 8043 1 14 . 1 1 14 14 LYS C C 14 179.370 179.370 179.305 0.065 18987 8044 1 14 . 1 1 14 14 LYS CA C 14 59.150 59.150 58.792 0.358 18987 8045 1 14 . 1 1 14 14 LYS CB C 14 32.270 32.270 32.190 0.080 18987 8046 1 14 . 1 1 14 14 LYS H H 14 7.805 7.805 7.828 -0.023 18987 8047 1 14 . 1 1 15 15 LYS N N 15 119.379 119.379 120.108 -0.729 18987 8048 1 14 . 1 1 15 15 LYS HA H 15 3.677 3.677 4.181 -0.504 18987 8049 1 14 . 1 1 15 15 LYS C C 15 177.999 177.999 179.137 -1.138 18987 8050 1 14 . 1 1 15 15 LYS CA C 15 59.270 59.270 59.365 -0.095 18987 8051 1 14 . 1 1 15 15 LYS CB C 15 32.630 32.630 32.371 0.259 18987 8052 1 14 . 1 1 15 15 LYS H H 15 7.612 7.612 7.524 0.088 18987 8053 1 14 . 1 1 16 16 ALA N N 16 122.940 122.940 121.713 1.227 18987 8054 1 14 . 1 1 16 16 ALA HA H 16 2.906 2.906 4.273 -1.367 18987 8055 1 14 . 1 1 16 16 ALA C C 16 177.999 177.999 179.165 -1.166 18987 8056 1 14 . 1 1 16 16 ALA CA C 16 54.370 54.370 54.880 -0.511 18987 8057 1 14 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.299 0.971 18987 8058 1 14 . 1 1 16 16 ALA H H 16 7.346 7.346 8.469 -1.123 18987 8059 1 14 . 1 1 17 17 ALA N N 17 120.093 120.093 120.738 -0.645 18987 8060 1 14 . 1 1 17 17 ALA HA H 17 2.965 2.965 2.818 0.147 18987 8061 1 14 . 1 1 17 17 ALA C C 17 178.466 178.466 179.027 -0.561 18987 8062 1 14 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.472 0.398 18987 8063 1 14 . 1 1 17 17 ALA CB C 17 17.270 17.270 18.074 -0.804 18987 8064 1 14 . 1 1 17 17 ALA H H 17 7.959 7.959 7.888 0.071 18987 8065 1 14 . 1 1 18 18 LYS N N 18 115.894 115.894 119.429 -3.535 18987 8066 1 14 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.061 -0.096 18987 8067 1 14 . 1 1 18 18 LYS C C 18 178.647 178.647 178.495 0.152 18987 8068 1 14 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.461 0.449 18987 8069 1 14 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.049 0.131 18987 8070 1 14 . 1 1 18 18 LYS H H 18 7.565 7.565 7.783 -0.218 18987 8071 1 14 . 1 1 19 19 PHE N N 19 120.854 120.854 120.431 0.423 18987 8072 1 14 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.314 -0.075 18987 8073 1 14 . 1 1 19 19 PHE C C 19 176.925 176.925 177.158 -0.233 18987 8074 1 14 . 1 1 19 19 PHE CA C 19 61.730 61.730 60.913 0.817 18987 8075 1 14 . 1 1 19 19 PHE CB C 19 39.140 39.140 38.984 0.156 18987 8076 1 14 . 1 1 19 19 PHE H H 19 7.496 7.496 7.752 -0.256 18987 8077 1 14 . 1 1 20 20 LEU N N 20 118.913 118.913 118.879 0.034 18987 8078 1 14 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.537 0.361 18987 8079 1 14 . 1 1 20 20 LEU C C 20 179.657 179.657 178.301 1.356 18987 8080 1 14 . 1 1 20 20 LEU CA C 20 58.330 58.330 57.774 0.556 18987 8081 1 14 . 1 1 20 20 LEU CB C 20 40.460 40.460 40.974 -0.514 18987 8082 1 14 . 1 1 20 20 LEU H H 20 8.012 8.012 7.694 0.318 18987 8083 1 14 . 1 1 21 21 ASP N N 21 118.448 118.448 118.792 -0.344 18987 8084 1 14 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.485 -0.029 18987 8085 1 14 . 1 1 21 21 ASP C C 21 180.358 180.358 178.373 1.985 18987 8086 1 14 . 1 1 21 21 ASP CA C 21 57.680 57.680 57.073 0.607 18987 8087 1 14 . 1 1 21 21 ASP CB C 21 40.520 40.520 41.173 -0.653 18987 8088 1 14 . 1 1 21 21 ASP H H 21 8.814 8.814 7.867 0.947 18987 8089 1 14 . 1 1 22 22 GLU N N 22 122.661 122.661 119.062 3.599 18987 8090 1 14 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.087 -0.345 18987 8091 1 14 . 1 1 22 22 GLU C C 22 178.371 178.371 178.309 0.062 18987 8092 1 14 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.842 0.398 18987 8093 1 14 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.838 -1.058 18987 8094 1 14 . 1 1 22 22 GLU H H 22 8.544 8.544 7.737 0.807 18987 8095 1 14 . 1 1 23 23 TYR N N 23 114.768 114.768 116.519 -1.751 18987 8096 1 14 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.386 -0.136 18987 8097 1 14 . 1 1 23 23 TYR C C 23 175.724 175.724 175.427 0.297 18987 8098 1 14 . 1 1 23 23 TYR CA C 23 59.070 59.070 58.416 0.654 18987 8099 1 14 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.234 0.785 18987 8100 1 14 . 1 1 23 23 TYR H H 23 7.522 7.522 7.787 -0.265 18987 8101 1 14 . 1 1 24 24 GLY N N 24 110.449 110.449 107.438 3.011 18987 8102 1 14 . 1 1 24 24 GLY C C 24 174.534 174.534 174.677 -0.143 18987 8103 1 14 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.533 1.587 18987 8104 1 14 . 1 1 24 24 GLY H H 24 7.792 7.792 7.308 0.484 18987 8105 1 14 . 1 1 25 25 VAL N N 25 122.714 122.714 119.952 2.762 18987 8106 1 14 . 1 1 25 25 VAL HA H 25 3.959 3.959 4.130 -0.171 18987 8107 1 14 . 1 1 25 25 VAL C C 25 176.266 176.266 175.809 0.457 18987 8108 1 14 . 1 1 25 25 VAL CA C 25 62.000 62.000 61.754 0.246 18987 8109 1 14 . 1 1 25 25 VAL CB C 25 32.480 32.480 32.594 -0.114 18987 8110 1 14 . 1 1 25 25 VAL H H 25 8.393 8.393 8.026 0.367 18987 8111 1 14 . 1 1 26 26 SER N N 26 123.498 123.498 123.119 0.379 18987 8112 1 14 . 1 1 26 26 SER HA H 26 4.351 4.351 4.460 -0.109 18987 8113 1 14 . 1 1 26 26 SER C C 26 173.513 173.513 174.060 -0.547 18987 8114 1 14 . 1 1 26 26 SER CA C 26 59.040 59.040 58.245 0.795 18987 8115 1 14 . 1 1 26 26 SER CB C 26 63.530 63.530 62.152 1.378 18987 8116 1 14 . 1 1 26 26 SER H H 26 8.559 8.559 8.688 -0.129 18987 8117 1 14 . 1 1 27 27 TYR N N 27 119.756 119.756 122.576 -2.820 18987 8118 1 14 . 1 1 27 27 TYR HA H 27 4.983 4.983 4.976 0.007 18987 8119 1 14 . 1 1 27 27 TYR C C 27 172.355 172.355 174.965 -2.610 18987 8120 1 14 . 1 1 27 27 TYR CA C 27 55.750 55.750 54.631 1.119 18987 8121 1 14 . 1 1 27 27 TYR CB C 27 40.730 40.730 40.465 0.265 18987 8122 1 14 . 1 1 27 27 TYR H H 27 7.838 7.838 7.824 0.014 18987 8123 1 14 . 1 1 28 28 GLU N N 28 123.126 123.126 119.943 3.183 18987 8124 1 14 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.715 0.013 18987 8125 1 14 . 1 1 28 28 GLU CA C 28 51.420 51.420 52.033 -0.613 18987 8126 1 14 . 1 1 28 28 GLU CB C 28 31.790 31.790 32.079 -0.289 18987 8127 1 14 . 1 1 28 28 GLU H H 28 9.006 9.006 8.776 0.230 18987 8128 1 14 . 1 1 29 29 PRO HA H 29 5.619 5.619 5.079 0.540 18987 8129 1 14 . 1 1 29 29 PRO C C 29 177.276 177.276 176.088 1.188 18987 8130 1 14 . 1 1 29 29 PRO CA C 29 61.820 61.820 62.738 -0.918 18987 8131 1 14 . 1 1 29 29 PRO CB C 29 31.890 31.890 30.742 1.148 18987 8132 1 14 . 1 1 30 30 ILE N N 30 127.043 127.043 119.203 7.840 18987 8133 1 14 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.076 0.028 18987 8134 1 14 . 1 1 30 30 ILE C C 30 174.948 174.948 174.585 0.363 18987 8135 1 14 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.913 1.447 18987 8136 1 14 . 1 1 30 30 ILE CB C 30 42.210 42.210 39.064 3.146 18987 8137 1 14 . 1 1 30 30 ILE H H 30 9.148 9.148 7.888 1.260 18987 8138 1 14 . 1 1 31 31 ASP N N 31 128.946 128.946 125.343 3.603 18987 8139 1 14 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.090 -0.198 18987 8140 1 14 . 1 1 31 31 ASP C C 31 176.373 176.373 177.294 -0.921 18987 8141 1 14 . 1 1 31 31 ASP CA C 31 54.600 54.600 56.305 -1.705 18987 8142 1 14 . 1 1 31 31 ASP CB C 31 42.920 42.920 41.659 1.261 18987 8143 1 14 . 1 1 31 31 ASP H H 31 9.092 9.092 8.645 0.447 18987 8144 1 14 . 1 1 32 32 ILE N N 32 127.576 127.576 127.377 0.199 18987 8145 1 14 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.175 -0.083 18987 8146 1 14 . 1 1 32 32 ILE C C 32 174.013 174.013 176.315 -2.302 18987 8147 1 14 . 1 1 32 32 ILE CA C 32 62.520 62.520 63.546 -1.026 18987 8148 1 14 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.601 2.149 18987 8149 1 14 . 1 1 32 32 ILE H H 32 9.362 9.362 8.936 0.426 18987 8150 1 14 . 1 1 33 33 VAL N N 33 123.498 123.498 117.639 5.859 18987 8151 1 14 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.924 -0.281 18987 8152 1 14 . 1 1 33 33 VAL C C 33 176.819 176.819 177.318 -0.499 18987 8153 1 14 . 1 1 33 33 VAL CA C 33 65.050 65.050 63.489 1.561 18987 8154 1 14 . 1 1 33 33 VAL CB C 33 31.970 31.970 31.130 0.840 18987 8155 1 14 . 1 1 33 33 VAL H H 33 8.445 8.445 8.034 0.411 18987 8156 1 14 . 1 1 34 34 GLN N N 34 119.897 119.897 118.463 1.434 18987 8157 1 14 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.173 -0.220 18987 8158 1 14 . 1 1 34 34 GLN C C 34 176.734 176.734 176.456 0.278 18987 8159 1 14 . 1 1 34 34 GLN CA C 34 57.540 57.540 57.714 -0.173 18987 8160 1 14 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.414 0.446 18987 8161 1 14 . 1 1 34 34 GLN H H 34 8.650 8.650 8.287 0.363 18987 8162 1 14 . 1 1 35 35 HIS N N 35 118.090 118.090 117.905 0.185 18987 8163 1 14 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.968 -0.004 18987 8164 1 14 . 1 1 35 35 HIS C C 35 173.758 173.758 173.797 -0.039 18987 8165 1 14 . 1 1 35 35 HIS CA C 35 53.660 53.660 54.715 -1.055 18987 8166 1 14 . 1 1 35 35 HIS CB C 35 29.190 29.190 30.305 -1.115 18987 8167 1 14 . 1 1 35 35 HIS H H 35 8.178 8.178 7.970 0.208 18987 8168 1 14 . 1 1 36 36 THR N N 36 118.794 118.794 118.407 0.387 18987 8169 1 14 . 1 1 36 36 THR HA H 36 4.142 4.142 4.606 -0.464 18987 8170 1 14 . 1 1 36 36 THR CA C 36 62.080 62.080 61.704 0.376 18987 8171 1 14 . 1 1 36 36 THR CB C 36 70.180 70.180 69.079 1.101 18987 8172 1 14 . 1 1 36 36 THR H H 36 7.468 7.468 7.754 -0.286 18987 8173 1 14 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.375 -0.100 18987 8174 1 14 . 1 1 37 37 PRO C C 37 174.970 174.970 176.239 -1.269 18987 8175 1 14 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.497 0.473 18987 8176 1 14 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.623 -2.193 18987 8177 1 14 . 1 1 38 38 THR N N 38 111.512 111.512 112.728 -1.216 18987 8178 1 14 . 1 1 38 38 THR HA H 38 4.298 4.298 4.370 -0.072 18987 8179 1 14 . 1 1 38 38 THR C C 38 175.756 175.756 176.413 -0.657 18987 8180 1 14 . 1 1 38 38 THR CA C 38 60.700 60.700 61.040 -0.340 18987 8181 1 14 . 1 1 38 38 THR CB C 38 71.560 71.560 70.277 1.283 18987 8182 1 14 . 1 1 38 38 THR H H 38 8.220 8.220 8.009 0.211 18987 8183 1 14 . 1 1 39 39 ILE N N 39 119.950 119.950 121.757 -1.807 18987 8184 1 14 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.846 -0.169 18987 8185 1 14 . 1 1 39 39 ILE C C 39 177.871 177.871 177.908 -0.037 18987 8186 1 14 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.715 1.385 18987 8187 1 14 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.721 0.419 18987 8188 1 14 . 1 1 39 39 ILE H H 39 8.763 8.763 8.697 0.066 18987 8189 1 14 . 1 1 40 40 ASN N N 40 116.189 116.189 117.587 -1.398 18987 8190 1 14 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.477 -0.128 18987 8191 1 14 . 1 1 40 40 ASN C C 40 178.445 178.445 177.622 0.823 18987 8192 1 14 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.474 -0.144 18987 8193 1 14 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.453 0.487 18987 8194 1 14 . 1 1 40 40 ASN H H 40 8.180 8.180 8.433 -0.253 18987 8195 1 14 . 1 1 41 41 GLU N N 41 121.970 121.970 120.637 1.333 18987 8196 1 14 . 1 1 41 41 GLU HA H 41 3.915 3.915 4.041 -0.126 18987 8197 1 14 . 1 1 41 41 GLU C C 41 180.093 180.093 179.059 1.034 18987 8198 1 14 . 1 1 41 41 GLU CA C 41 59.590 59.590 58.931 0.659 18987 8199 1 14 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.161 0.589 18987 8200 1 14 . 1 1 41 41 GLU H H 41 7.782 7.782 7.591 0.191 18987 8201 1 14 . 1 1 42 42 PHE N N 42 118.929 118.929 119.392 -0.463 18987 8202 1 14 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.114 0.056 18987 8203 1 14 . 1 1 42 42 PHE C C 42 178.488 178.488 177.561 0.927 18987 8204 1 14 . 1 1 42 42 PHE CA C 42 63.020 63.020 61.820 1.200 18987 8205 1 14 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.674 0.556 18987 8206 1 14 . 1 1 42 42 PHE H H 42 8.776 8.776 8.333 0.443 18987 8207 1 14 . 1 1 43 43 LYS N N 43 118.820 118.820 117.872 0.948 18987 8208 1 14 . 1 1 43 43 LYS HA H 43 3.795 3.795 3.941 -0.146 18987 8209 1 14 . 1 1 43 43 LYS C C 43 179.816 179.816 178.991 0.825 18987 8210 1 14 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.765 1.385 18987 8211 1 14 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.896 0.344 18987 8212 1 14 . 1 1 43 43 LYS H H 43 8.775 8.775 8.257 0.518 18987 8213 1 14 . 1 1 44 44 THR N N 44 118.754 118.754 117.598 1.156 18987 8214 1 14 . 1 1 44 44 THR HA H 44 3.894 3.894 4.085 -0.191 18987 8215 1 14 . 1 1 44 44 THR C C 44 175.214 175.214 176.533 -1.319 18987 8216 1 14 . 1 1 44 44 THR CA C 44 66.900 66.900 66.749 0.151 18987 8217 1 14 . 1 1 44 44 THR CB C 44 68.920 68.920 68.834 0.086 18987 8218 1 14 . 1 1 44 44 THR H H 44 7.959 7.959 7.960 -0.001 18987 8219 1 14 . 1 1 45 45 ILE N N 45 122.671 122.671 118.400 4.271 18987 8220 1 14 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.902 -0.095 18987 8221 1 14 . 1 1 45 45 ILE C C 45 180.273 180.273 177.894 2.379 18987 8222 1 14 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.932 1.118 18987 8223 1 14 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.372 1.378 18987 8224 1 14 . 1 1 45 45 ILE H H 45 8.100 8.100 7.741 0.359 18987 8225 1 14 . 1 1 46 46 ILE N N 46 123.392 123.392 121.214 2.178 18987 8226 1 14 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.985 -0.460 18987 8227 1 14 . 1 1 46 46 ILE C C 46 178.509 178.509 177.420 1.089 18987 8228 1 14 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.581 1.229 18987 8229 1 14 . 1 1 46 46 ILE CB C 46 38.110 38.110 38.068 0.042 18987 8230 1 14 . 1 1 46 46 ILE H H 46 8.778 8.778 8.185 0.593 18987 8231 1 14 . 1 1 47 47 ALA N N 47 123.336 123.336 121.381 1.955 18987 8232 1 14 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.106 -0.059 18987 8233 1 14 . 1 1 47 47 ALA C C 47 180.114 180.114 178.736 1.378 18987 8234 1 14 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.625 0.275 18987 8235 1 14 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.472 -0.142 18987 8236 1 14 . 1 1 47 47 ALA H H 47 8.232 8.232 7.862 0.370 18987 8237 1 14 . 1 1 48 48 ASN N N 48 114.090 114.090 115.633 -1.543 18987 8238 1 14 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.644 -0.154 18987 8239 1 14 . 1 1 48 48 ASN C C 48 177.776 177.776 176.942 0.834 18987 8240 1 14 . 1 1 48 48 ASN CA C 48 55.070 55.070 55.174 -0.104 18987 8241 1 14 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.160 -0.490 18987 8242 1 14 . 1 1 48 48 ASN H H 48 8.464 8.464 8.097 0.367 18987 8243 1 14 . 1 1 49 49 THR N N 49 106.742 106.742 108.812 -2.070 18987 8244 1 14 . 1 1 49 49 THR HA H 49 4.471 4.471 4.518 -0.047 18987 8245 1 14 . 1 1 49 49 THR C C 49 176.968 176.968 176.029 0.939 18987 8246 1 14 . 1 1 49 49 THR CA C 49 62.550 62.550 63.151 -0.601 18987 8247 1 14 . 1 1 49 49 THR CB C 49 72.150 72.150 70.585 1.565 18987 8248 1 14 . 1 1 49 49 THR H H 49 8.035 8.035 7.956 0.079 18987 8249 1 14 . 1 1 50 50 GLY N N 50 112.246 112.246 110.797 1.449 18987 8250 1 14 . 1 1 50 50 GLY C C 50 174.055 174.055 174.707 -0.652 18987 8251 1 14 . 1 1 50 50 GLY CA C 50 45.940 45.940 45.062 0.878 18987 8252 1 14 . 1 1 50 50 GLY H H 50 8.323 8.323 7.717 0.606 18987 8253 1 14 . 1 1 51 51 VAL N N 51 121.212 121.212 120.026 1.186 18987 8254 1 14 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.115 -0.240 18987 8255 1 14 . 1 1 51 51 VAL C C 51 173.120 173.120 175.949 -2.829 18987 8256 1 14 . 1 1 51 51 VAL CA C 51 61.380 61.380 61.720 -0.340 18987 8257 1 14 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.266 -1.376 18987 8258 1 14 . 1 1 51 51 VAL H H 51 7.429 7.429 7.522 -0.093 18987 8259 1 14 . 1 1 52 52 GLU N N 52 126.158 126.158 126.107 0.051 18987 8260 1 14 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.243 -0.134 18987 8261 1 14 . 1 1 52 52 GLU C C 52 178.190 178.190 176.739 1.451 18987 8262 1 14 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.787 -0.547 18987 8263 1 14 . 1 1 52 52 GLU CB C 52 30.190 30.190 29.355 0.835 18987 8264 1 14 . 1 1 52 52 GLU H H 52 7.881 7.881 8.536 -0.655 18987 8265 1 14 . 1 1 53 53 ILE N N 53 125.807 125.807 125.287 0.520 18987 8266 1 14 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.857 -0.433 18987 8267 1 14 . 1 1 53 53 ILE C C 53 177.425 177.425 176.828 0.597 18987 8268 1 14 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.445 2.335 18987 8269 1 14 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.107 -0.147 18987 8270 1 14 . 1 1 53 53 ILE H H 53 8.430 8.430 8.768 -0.338 18987 8271 1 14 . 1 1 54 54 ASN N N 54 116.588 116.588 117.905 -1.317 18987 8272 1 14 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.819 -0.363 18987 8273 1 14 . 1 1 54 54 ASN C C 54 178.807 178.807 176.649 2.158 18987 8274 1 14 . 1 1 54 54 ASN CA C 54 55.770 55.770 55.787 -0.017 18987 8275 1 14 . 1 1 54 54 ASN CB C 54 37.140 37.140 37.430 -0.290 18987 8276 1 14 . 1 1 54 54 ASN H H 54 8.585 8.585 8.832 -0.247 18987 8277 1 14 . 1 1 55 55 LYS N N 55 117.013 117.013 116.902 0.111 18987 8278 1 14 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.365 -0.263 18987 8279 1 14 . 1 1 55 55 LYS C C 55 176.819 176.819 176.686 0.133 18987 8280 1 14 . 1 1 55 55 LYS CA C 55 57.560 57.560 57.572 -0.011 18987 8281 1 14 . 1 1 55 55 LYS CB C 55 32.180 32.180 32.038 0.142 18987 8282 1 14 . 1 1 55 55 LYS H H 55 7.661 7.661 7.401 0.260 18987 8283 1 14 . 1 1 56 56 LEU N N 56 114.768 114.768 119.423 -4.655 18987 8284 1 14 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.203 -0.276 18987 8285 1 14 . 1 1 56 56 LEU C C 56 176.702 176.702 176.716 -0.014 18987 8286 1 14 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.442 0.478 18987 8287 1 14 . 1 1 56 56 LEU CB C 56 42.020 42.020 42.033 -0.013 18987 8288 1 14 . 1 1 56 56 LEU H H 56 7.690 7.690 7.278 0.412 18987 8289 1 14 . 1 1 57 57 PHE N N 57 114.558 114.558 117.273 -2.715 18987 8290 1 14 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.661 -0.213 18987 8291 1 14 . 1 1 57 57 PHE C C 57 176.319 176.319 176.871 -0.552 18987 8292 1 14 . 1 1 57 57 PHE CA C 57 58.470 58.470 59.404 -0.933 18987 8293 1 14 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.638 1.062 18987 8294 1 14 . 1 1 57 57 PHE H H 57 7.032 7.032 7.470 -0.438 18987 8295 1 14 . 1 1 58 58 ASN N N 58 118.674 118.674 122.467 -3.793 18987 8296 1 14 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.718 -0.232 18987 8297 1 14 . 1 1 58 58 ASN CA C 58 51.540 51.540 52.828 -1.288 18987 8298 1 14 . 1 1 58 58 ASN CB C 58 36.910 36.910 37.883 -0.973 18987 8299 1 14 . 1 1 58 58 ASN H H 58 8.659 8.659 8.862 -0.203 18987 8300 1 14 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.622 -0.060 18987 8301 1 14 . 1 1 60 60 HIS C C 60 176.309 176.309 174.119 2.190 18987 8302 1 14 . 1 1 60 60 HIS CA C 60 55.920 55.920 55.272 0.648 18987 8303 1 14 . 1 1 60 60 HIS CB C 60 30.890 30.890 29.343 1.546 18987 8304 1 14 . 1 1 61 61 GLY N N 61 106.925 106.925 113.153 -6.228 18987 8305 1 14 . 1 1 61 61 GLY CA C 61 45.180 45.180 45.139 0.041 18987 8306 1 14 . 1 1 61 61 GLY H H 61 7.284 7.284 8.275 -0.991 18987 8307 1 14 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.030 0.018 18987 8308 1 14 . 1 1 63 63 LYS C C 63 177.435 177.435 178.613 -1.178 18987 8309 1 14 . 1 1 63 63 LYS CA C 63 58.300 58.300 58.924 -0.624 18987 8310 1 14 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.534 -1.374 18987 8311 1 14 . 1 1 64 64 TYR N N 64 119.737 119.737 120.623 -0.886 18987 8312 1 14 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.121 -0.465 18987 8313 1 14 . 1 1 64 64 TYR C C 64 178.339 178.339 175.964 2.375 18987 8314 1 14 . 1 1 64 64 TYR CA C 64 61.610 61.610 61.537 0.073 18987 8315 1 14 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.699 0.201 18987 8316 1 14 . 1 1 64 64 TYR H H 64 7.644 7.644 8.142 -0.498 18987 8317 1 14 . 1 1 65 65 ARG N N 65 118.236 118.236 115.529 2.707 18987 8318 1 14 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.397 -0.187 18987 8319 1 14 . 1 1 65 65 ARG C C 65 179.816 179.816 177.332 2.484 18987 8320 1 14 . 1 1 65 65 ARG CA C 65 59.090 59.090 56.423 2.667 18987 8321 1 14 . 1 1 65 65 ARG CB C 65 30.160 30.160 29.648 0.512 18987 8322 1 14 . 1 1 65 65 ARG H H 65 7.358 7.358 7.964 -0.606 18987 8323 1 14 . 1 1 66 66 GLU N N 66 123.063 123.063 121.061 2.002 18987 8324 1 14 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.195 -0.278 18987 8325 1 14 . 1 1 66 66 GLU C C 66 178.626 178.626 177.734 0.892 18987 8326 1 14 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.678 0.772 18987 8327 1 14 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.659 0.031 18987 8328 1 14 . 1 1 66 66 GLU H H 66 8.789 8.789 7.845 0.944 18987 8329 1 14 . 1 1 67 67 LEU N N 67 115.817 115.817 117.847 -2.030 18987 8330 1 14 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.255 -0.125 18987 8331 1 14 . 1 1 67 67 LEU C C 67 176.171 176.171 176.827 -0.656 18987 8332 1 14 . 1 1 67 67 LEU CA C 67 54.750 54.750 55.198 -0.448 18987 8333 1 14 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.394 -0.374 18987 8334 1 14 . 1 1 67 67 LEU H H 67 7.907 7.907 7.685 0.222 18987 8335 1 14 . 1 1 68 68 ASP N N 68 118.063 118.063 118.333 -0.270 18987 8336 1 14 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.326 0.088 18987 8337 1 14 . 1 1 68 68 ASP C C 68 177.521 177.521 176.483 1.038 18987 8338 1 14 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.708 -0.308 18987 8339 1 14 . 1 1 68 68 ASP CB C 68 39.640 39.640 39.330 0.310 18987 8340 1 14 . 1 1 68 68 ASP H H 68 7.878 7.878 8.066 -0.188 18987 8341 1 14 . 1 1 69 69 LEU N N 69 115.724 115.724 119.741 -4.017 18987 8342 1 14 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.800 -0.361 18987 8343 1 14 . 1 1 69 69 LEU C C 69 177.584 177.584 177.869 -0.285 18987 8344 1 14 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.101 0.379 18987 8345 1 14 . 1 1 69 69 LEU CB C 69 38.700 38.700 41.331 -2.631 18987 8346 1 14 . 1 1 69 69 LEU H H 69 7.285 7.285 7.614 -0.329 18987 8347 1 14 . 1 1 70 70 LYS N N 70 119.751 119.751 119.504 0.247 18987 8348 1 14 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.573 0.388 18987 8349 1 14 . 1 1 70 70 LYS C C 70 177.903 177.903 178.460 -0.557 18987 8350 1 14 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.874 0.605 18987 8351 1 14 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.547 0.433 18987 8352 1 14 . 1 1 70 70 LYS H H 70 8.601 8.601 7.280 1.321 18987 8353 1 14 . 1 1 71 71 ASN N N 71 113.386 113.386 115.849 -2.463 18987 8354 1 14 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.363 0.363 18987 8355 1 14 . 1 1 71 71 ASN C C 71 176.808 176.808 176.719 0.089 18987 8356 1 14 . 1 1 71 71 ASN CA C 71 54.370 54.370 56.047 -1.677 18987 8357 1 14 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.693 1.267 18987 8358 1 14 . 1 1 71 71 ASN H H 71 6.965 6.965 8.130 -1.165 18987 8359 1 14 . 1 1 72 72 LYS N N 72 118.475 118.475 117.538 0.937 18987 8360 1 14 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.084 0.065 18987 8361 1 14 . 1 1 72 72 LYS C C 72 178.849 178.849 178.322 0.527 18987 8362 1 14 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.632 -0.712 18987 8363 1 14 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.380 1.650 18987 8364 1 14 . 1 1 72 72 LYS H H 72 8.113 8.113 7.323 0.790 18987 8365 1 14 . 1 1 73 73 LEU N N 73 120.458 120.458 120.027 0.431 18987 8366 1 14 . 1 1 73 73 LEU HA H 73 3.599 3.599 3.935 -0.336 18987 8367 1 14 . 1 1 73 73 LEU C C 73 178.126 178.126 178.275 -0.149 18987 8368 1 14 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.154 1.676 18987 8369 1 14 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.682 -0.782 18987 8370 1 14 . 1 1 73 73 LEU H H 73 8.549 8.549 8.233 0.316 18987 8371 1 14 . 1 1 74 74 GLN N N 74 112.719 112.719 114.656 -1.937 18987 8372 1 14 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.117 0.061 18987 8373 1 14 . 1 1 74 74 GLN C C 74 176.883 176.883 177.360 -0.477 18987 8374 1 14 . 1 1 74 74 GLN CA C 74 57.250 57.250 57.964 -0.714 18987 8375 1 14 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.352 0.078 18987 8376 1 14 . 1 1 74 74 GLN H H 74 7.918 7.918 7.625 0.293 18987 8377 1 14 . 1 1 75 75 THR N N 75 108.336 108.336 113.893 -5.557 18987 8378 1 14 . 1 1 75 75 THR HA H 75 4.410 4.410 4.477 -0.067 18987 8379 1 14 . 1 1 75 75 THR C C 75 174.619 174.619 175.026 -0.407 18987 8380 1 14 . 1 1 75 75 THR CA C 75 61.760 61.760 62.325 -0.565 18987 8381 1 14 . 1 1 75 75 THR CB C 75 69.950 69.950 70.114 -0.164 18987 8382 1 14 . 1 1 75 75 THR H H 75 7.620 7.620 7.628 -0.008 18987 8383 1 14 . 1 1 76 76 LEU N N 76 122.754 122.754 120.159 2.595 18987 8384 1 14 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.507 -0.019 18987 8385 1 14 . 1 1 76 76 LEU C C 76 177.234 177.234 176.627 0.607 18987 8386 1 14 . 1 1 76 76 LEU CA C 76 54.190 54.190 53.619 0.571 18987 8387 1 14 . 1 1 76 76 LEU CB C 76 44.040 44.040 41.980 2.060 18987 8388 1 14 . 1 1 76 76 LEU H H 76 7.191 7.191 7.725 -0.534 18987 8389 1 14 . 1 1 77 77 SER N N 77 119.431 119.431 115.277 4.154 18987 8390 1 14 . 1 1 77 77 SER HA H 77 4.465 4.465 4.512 -0.047 18987 8391 1 14 . 1 1 77 77 SER C C 77 175.320 175.320 175.459 -0.139 18987 8392 1 14 . 1 1 77 77 SER CA C 77 57.360 57.360 57.151 0.209 18987 8393 1 14 . 1 1 77 77 SER CB C 77 65.080 65.080 64.571 0.509 18987 8394 1 14 . 1 1 77 77 SER H H 77 9.367 9.367 8.330 1.037 18987 8395 1 14 . 1 1 78 78 ASP N N 78 122.766 122.766 123.775 -1.009 18987 8396 1 14 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.372 -0.177 18987 8397 1 14 . 1 1 78 78 ASP C C 78 178.211 178.211 177.573 0.638 18987 8398 1 14 . 1 1 78 78 ASP CA C 78 58.470 58.470 58.254 0.216 18987 8399 1 14 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.778 -1.318 18987 8400 1 14 . 1 1 78 78 ASP H H 78 9.055 9.055 8.931 0.124 18987 8401 1 14 . 1 1 79 79 ASP N N 79 117.917 117.917 119.355 -1.438 18987 8402 1 14 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.378 -0.103 18987 8403 1 14 . 1 1 79 79 ASP C C 79 179.179 179.179 178.271 0.908 18987 8404 1 14 . 1 1 79 79 ASP CA C 79 58.000 58.000 58.004 -0.004 18987 8405 1 14 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.482 -0.172 18987 8406 1 14 . 1 1 79 79 ASP H H 79 8.245 8.245 8.833 -0.588 18987 8407 1 14 . 1 1 80 80 GLU N N 80 120.229 120.229 119.260 0.969 18987 8408 1 14 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.312 -0.395 18987 8409 1 14 . 1 1 80 80 GLU C C 80 180.369 180.369 178.945 1.424 18987 8410 1 14 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.631 0.669 18987 8411 1 14 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.654 1.266 18987 8412 1 14 . 1 1 80 80 GLU H H 80 7.732 7.732 7.757 -0.025 18987 8413 1 14 . 1 1 81 81 LYS N N 81 120.163 120.163 120.551 -0.388 18987 8414 1 14 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.320 -0.474 18987 8415 1 14 . 1 1 81 81 LYS C C 81 177.956 177.956 179.156 -1.200 18987 8416 1 14 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.671 1.269 18987 8417 1 14 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.527 1.093 18987 8418 1 14 . 1 1 81 81 LYS H H 81 8.340 8.340 7.571 0.769 18987 8419 1 14 . 1 1 82 82 LEU N N 82 117.478 117.478 119.151 -1.673 18987 8420 1 14 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.660 0.013 18987 8421 1 14 . 1 1 82 82 LEU C C 82 178.870 178.870 178.793 0.077 18987 8422 1 14 . 1 1 82 82 LEU CA C 82 57.770 57.770 58.061 -0.291 18987 8423 1 14 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.514 0.236 18987 8424 1 14 . 1 1 82 82 LEU H H 82 8.161 8.161 7.926 0.235 18987 8425 1 14 . 1 1 83 83 GLU N N 83 119.824 119.824 119.522 0.302 18987 8426 1 14 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.957 -0.217 18987 8427 1 14 . 1 1 83 83 GLU C C 83 179.009 179.009 179.393 -0.384 18987 8428 1 14 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.532 -0.052 18987 8429 1 14 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.526 -0.186 18987 8430 1 14 . 1 1 83 83 GLU H H 83 7.999 7.999 7.953 0.046 18987 8431 1 14 . 1 1 84 84 LEU N N 84 119.684 119.684 120.177 -0.493 18987 8432 1 14 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.951 -0.009 18987 8433 1 14 . 1 1 84 84 LEU C C 84 179.264 179.264 179.110 0.154 18987 8434 1 14 . 1 1 84 84 LEU CA C 84 58.090 58.090 57.865 0.224 18987 8435 1 14 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.869 0.441 18987 8436 1 14 . 1 1 84 84 LEU H H 84 7.470 7.470 7.781 -0.311 18987 8437 1 14 . 1 1 85 85 LEU N N 85 119.086 119.086 118.207 0.879 18987 8438 1 14 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.735 -0.351 18987 8439 1 14 . 1 1 85 85 LEU C C 85 176.064 176.064 179.314 -3.250 18987 8440 1 14 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.227 0.633 18987 8441 1 14 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.066 1.294 18987 8442 1 14 . 1 1 85 85 LEU H H 85 7.726 7.726 7.628 0.098 18987 8443 1 14 . 1 1 86 86 SER N N 86 105.708 105.708 113.373 -7.665 18987 8444 1 14 . 1 1 86 86 SER HA H 86 4.283 4.283 4.770 -0.487 18987 8445 1 14 . 1 1 86 86 SER C C 86 176.351 176.351 176.007 0.344 18987 8446 1 14 . 1 1 86 86 SER CA C 86 60.380 60.380 60.635 -0.255 18987 8447 1 14 . 1 1 86 86 SER CB C 86 64.400 64.400 63.489 0.911 18987 8448 1 14 . 1 1 86 86 SER H H 86 7.617 7.617 8.073 -0.456 18987 8449 1 14 . 1 1 87 87 SER N N 87 115.392 115.392 115.696 -0.304 18987 8450 1 14 . 1 1 87 87 SER HA H 87 4.345 4.345 4.432 -0.087 18987 8451 1 14 . 1 1 87 87 SER C C 87 174.534 174.534 174.206 0.328 18987 8452 1 14 . 1 1 87 87 SER CA C 87 59.820 59.820 60.727 -0.907 18987 8453 1 14 . 1 1 87 87 SER CB C 87 64.340 64.340 64.078 0.262 18987 8454 1 14 . 1 1 87 87 SER H H 87 7.644 7.644 7.893 -0.249 18987 8455 1 14 . 1 1 88 88 ASP N N 88 120.295 120.295 119.996 0.299 18987 8456 1 14 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.780 -0.176 18987 8457 1 14 . 1 1 88 88 ASP C C 88 175.618 175.618 176.078 -0.460 18987 8458 1 14 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.769 0.241 18987 8459 1 14 . 1 1 88 88 ASP CB C 88 41.020 41.020 43.107 -2.087 18987 8460 1 14 . 1 1 88 88 ASP H H 88 7.104 7.104 7.521 -0.417 18987 8461 1 14 . 1 1 89 89 GLY N N 89 111.841 111.841 112.254 -0.413 18987 8462 1 14 . 1 1 89 89 GLY C C 89 176.171 176.171 175.010 1.161 18987 8463 1 14 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.556 1.125 18987 8464 1 14 . 1 1 89 89 GLY H H 89 9.325 9.325 8.767 0.558 18987 8465 1 14 . 1 1 90 90 MET N N 90 117.877 117.877 117.379 0.498 18987 8466 1 14 . 1 1 90 90 MET HA H 90 4.075 4.075 4.438 -0.363 18987 8467 1 14 . 1 1 90 90 MET C C 90 178.456 178.456 178.177 0.279 18987 8468 1 14 . 1 1 90 90 MET CA C 90 56.400 56.400 56.299 0.101 18987 8469 1 14 . 1 1 90 90 MET CB C 90 30.540 30.540 32.100 -1.560 18987 8470 1 14 . 1 1 90 90 MET H H 90 8.593 8.593 7.511 1.082 18987 8471 1 14 . 1 1 91 91 LEU N N 91 118.027 118.027 119.287 -1.260 18987 8472 1 14 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.233 0.046 18987 8473 1 14 . 1 1 91 91 LEU C C 91 176.298 176.298 176.214 0.084 18987 8474 1 14 . 1 1 91 91 LEU CA C 91 55.460 55.460 56.256 -0.796 18987 8475 1 14 . 1 1 91 91 LEU CB C 91 43.130 43.130 42.168 0.962 18987 8476 1 14 . 1 1 91 91 LEU H H 91 8.224 8.224 7.681 0.543 18987 8477 1 14 . 1 1 92 92 VAL N N 92 120.960 120.960 117.273 3.687 18987 8478 1 14 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.273 -0.272 18987 8479 1 14 . 1 1 92 92 VAL C C 92 175.990 175.990 176.211 -0.221 18987 8480 1 14 . 1 1 92 92 VAL CA C 92 61.150 61.150 60.333 0.817 18987 8481 1 14 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.149 0.121 18987 8482 1 14 . 1 1 92 92 VAL H H 92 7.093 7.093 7.129 -0.036 18987 8483 1 14 . 1 1 93 93 LYS N N 93 130.687 130.687 126.202 4.485 18987 8484 1 14 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.222 -0.516 18987 8485 1 14 . 1 1 93 93 LYS C C 93 171.855 171.855 177.043 -5.188 18987 8486 1 14 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.884 1.036 18987 8487 1 14 . 1 1 93 93 LYS CB C 93 32.800 32.800 32.456 0.344 18987 8488 1 14 . 1 1 93 93 LYS H H 93 8.442 8.442 8.084 0.358 18987 8489 1 14 . 1 1 94 94 ARG N N 94 115.791 115.791 124.074 -8.283 18987 8490 1 14 . 1 1 94 94 ARG H H 94 7.676 7.676 8.581 -0.905 18987 8491 1 14 . 1 1 95 95 PRO C C 95 175.108 175.108 175.304 -0.196 18987 8492 1 14 . 1 1 96 96 LEU N N 96 128.494 128.494 125.919 2.575 18987 8493 1 14 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.444 -0.463 18987 8494 1 14 . 1 1 96 96 LEU C C 96 173.216 173.216 174.242 -1.026 18987 8495 1 14 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.327 1.543 18987 8496 1 14 . 1 1 96 96 LEU CB C 96 43.660 43.660 46.774 -3.114 18987 8497 1 14 . 1 1 96 96 LEU H H 96 8.246 8.246 8.214 0.032 18987 8498 1 14 . 1 1 97 97 ALA N N 97 131.035 131.035 126.614 4.421 18987 8499 1 14 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.340 0.530 18987 8500 1 14 . 1 1 97 97 ALA C C 97 174.938 174.938 174.877 0.061 18987 8501 1 14 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.157 -1.307 18987 8502 1 14 . 1 1 97 97 ALA CB C 97 20.070 20.070 22.480 -2.410 18987 8503 1 14 . 1 1 97 97 ALA H H 97 8.839 8.839 8.908 -0.069 18987 8504 1 14 . 1 1 98 98 VAL N N 98 119.830 119.830 123.593 -3.763 18987 8505 1 14 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.565 -0.009 18987 8506 1 14 . 1 1 98 98 VAL C C 98 173.896 173.896 173.723 0.173 18987 8507 1 14 . 1 1 98 98 VAL CA C 98 59.270 59.270 59.653 -0.383 18987 8508 1 14 . 1 1 98 98 VAL CB C 98 35.970 35.970 36.510 -0.540 18987 8509 1 14 . 1 1 98 98 VAL H H 98 8.824 8.824 8.788 0.036 18987 8510 1 14 . 1 1 99 99 MET N N 99 127.537 127.537 123.129 4.408 18987 8511 1 14 . 1 1 99 99 MET HA H 99 4.430 4.430 4.952 -0.522 18987 8512 1 14 . 1 1 99 99 MET CA C 99 56.710 56.710 54.334 2.376 18987 8513 1 14 . 1 1 99 99 MET CB C 99 31.050 31.050 35.804 -4.754 18987 8514 1 14 . 1 1 99 99 MET H H 99 8.873 8.873 8.997 -0.124 18987 8515 1 14 . 1 1 100 100 GLY C C 100 173.024 173.024 174.396 -1.372 18987 8516 1 14 . 1 1 100 100 GLY CA C 100 47.970 47.970 46.870 1.100 18987 8517 1 14 . 1 1 101 101 ASP N N 101 124.308 124.308 113.856 10.452 18987 8518 1 14 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.683 -0.484 18987 8519 1 14 . 1 1 101 101 ASP C C 101 175.172 175.172 175.100 0.072 18987 8520 1 14 . 1 1 101 101 ASP CA C 101 53.310 53.310 53.814 -0.504 18987 8521 1 14 . 1 1 101 101 ASP CB C 101 40.170 40.170 41.903 -1.733 18987 8522 1 14 . 1 1 101 101 ASP H H 101 8.257 8.257 8.118 0.139 18987 8523 1 14 . 1 1 102 102 LYS N N 102 121.002 121.002 119.899 1.103 18987 8524 1 14 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.741 -0.335 18987 8525 1 14 . 1 1 102 102 LYS C C 102 174.257 174.257 174.021 0.236 18987 8526 1 14 . 1 1 102 102 LYS CA C 102 55.370 55.370 55.460 -0.090 18987 8527 1 14 . 1 1 102 102 LYS CB C 102 36.230 36.230 35.296 0.934 18987 8528 1 14 . 1 1 102 102 LYS H H 102 8.108 8.108 7.903 0.205 18987 8529 1 14 . 1 1 103 103 ILE N N 103 118.488 118.488 121.380 -2.892 18987 8530 1 14 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.449 0.410 18987 8531 1 14 . 1 1 103 103 ILE C C 103 173.652 173.652 173.885 -0.233 18987 8532 1 14 . 1 1 103 103 ILE CA C 103 58.620 58.620 60.031 -1.411 18987 8533 1 14 . 1 1 103 103 ILE CB C 103 42.250 42.250 42.406 -0.156 18987 8534 1 14 . 1 1 103 103 ILE H H 103 8.038 8.038 8.273 -0.235 18987 8535 1 14 . 1 1 104 104 THR N N 104 115.441 115.441 118.246 -2.805 18987 8536 1 14 . 1 1 104 104 THR HA H 104 4.524 4.524 4.674 -0.150 18987 8537 1 14 . 1 1 104 104 THR C C 104 173.503 173.503 172.581 0.922 18987 8538 1 14 . 1 1 104 104 THR CA C 104 60.660 60.660 60.567 0.093 18987 8539 1 14 . 1 1 104 104 THR CB C 104 72.460 72.460 72.167 0.293 18987 8540 1 14 . 1 1 104 104 THR H H 104 9.360 9.360 9.338 0.022 18987 8541 1 14 . 1 1 105 105 LEU N N 105 123.352 123.352 125.400 -2.048 18987 8542 1 14 . 1 1 105 105 LEU HA H 105 5.023 5.023 5.055 -0.032 18987 8543 1 14 . 1 1 105 105 LEU C C 105 178.860 178.860 177.560 1.300 18987 8544 1 14 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.374 -1.334 18987 8545 1 14 . 1 1 105 105 LEU CB C 105 44.290 44.290 44.946 -0.656 18987 8546 1 14 . 1 1 105 105 LEU H H 105 8.857 8.857 8.720 0.137 18987 8547 1 14 . 1 1 106 106 GLY N N 106 108.363 108.363 111.192 -2.829 18987 8548 1 14 . 1 1 106 106 GLY C C 106 172.100 172.100 173.981 -1.881 18987 8549 1 14 . 1 1 106 106 GLY CA C 106 44.870 44.870 44.649 0.221 18987 8550 1 14 . 1 1 106 106 GLY H H 106 8.241 8.241 8.375 -0.134 18987 8551 1 14 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.651 0.037 18987 8552 1 14 . 1 1 107 107 PHE CA C 107 58.000 58.000 58.390 -0.390 18987 8553 1 14 . 1 1 107 107 PHE CB C 107 41.620 41.620 39.080 2.540 18987 8554 1 14 . 1 1 108 108 LYS N N 108 129.677 129.677 128.540 1.137 18987 8555 1 14 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.372 -0.470 18987 8556 1 14 . 1 1 108 108 LYS CA C 108 54.650 54.650 54.345 0.305 18987 8557 1 14 . 1 1 108 108 LYS CB C 108 34.130 34.130 32.928 1.202 18987 8558 1 14 . 1 1 108 108 LYS H H 108 7.351 7.351 7.145 0.206 18987 8559 1 14 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.594 -0.634 18987 8560 1 14 . 1 1 109 109 GLU C C 109 177.255 177.255 177.613 -0.358 18987 8561 1 14 . 1 1 109 109 GLU CA C 109 60.840 60.840 60.403 0.437 18987 8562 1 14 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.544 -0.244 18987 8563 1 14 . 1 1 110 110 ASP N N 110 115.831 115.831 118.500 -2.669 18987 8564 1 14 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.252 -0.095 18987 8565 1 14 . 1 1 110 110 ASP C C 110 178.456 178.456 178.180 0.276 18987 8566 1 14 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.788 -0.878 18987 8567 1 14 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.408 -1.198 18987 8568 1 14 . 1 1 110 110 ASP H H 110 8.654 8.654 8.345 0.309 18987 8569 1 14 . 1 1 111 111 GLN N N 111 119.458 119.458 117.016 2.442 18987 8570 1 14 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.920 0.161 18987 8571 1 14 . 1 1 111 111 GLN C C 111 179.189 179.189 178.556 0.633 18987 8572 1 14 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.471 -0.331 18987 8573 1 14 . 1 1 111 111 GLN CB C 111 28.850 28.850 28.064 0.787 18987 8574 1 14 . 1 1 111 111 GLN H H 111 6.993 6.993 8.263 -1.270 18987 8575 1 14 . 1 1 112 112 TYR N N 112 124.973 124.973 118.814 6.159 18987 8576 1 14 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.291 -0.364 18987 8577 1 14 . 1 1 112 112 TYR C C 112 178.254 178.254 177.842 0.412 18987 8578 1 14 . 1 1 112 112 TYR CA C 112 62.690 62.690 60.098 2.592 18987 8579 1 14 . 1 1 112 112 TYR CB C 112 36.660 36.660 37.635 -0.974 18987 8580 1 14 . 1 1 112 112 TYR H H 112 8.289 8.289 8.086 0.203 18987 8581 1 14 . 1 1 113 113 LYS N N 113 118.329 118.329 118.882 -0.553 18987 8582 1 14 . 1 1 113 113 LYS HA H 113 3.913 3.913 3.998 -0.085 18987 8583 1 14 . 1 1 113 113 LYS C C 113 178.296 178.296 178.584 -0.288 18987 8584 1 14 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.627 1.453 18987 8585 1 14 . 1 1 113 113 LYS CB C 113 32.810 32.810 31.554 1.256 18987 8586 1 14 . 1 1 113 113 LYS H H 113 8.310 8.310 8.184 0.126 18987 8587 1 14 . 1 1 114 114 GLU N N 114 115.605 115.605 118.078 -2.473 18987 8588 1 14 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.213 -0.317 18987 8589 1 14 . 1 1 114 114 GLU C C 114 177.308 177.308 177.565 -0.257 18987 8590 1 14 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.400 -0.090 18987 8591 1 14 . 1 1 114 114 GLU CB C 114 30.140 30.140 29.610 0.530 18987 8592 1 14 . 1 1 114 114 GLU H H 114 7.603 7.603 7.801 -0.198 18987 8593 1 14 . 1 1 115 115 THR N N 115 112.256 112.256 112.941 -0.685 18987 8594 1 14 . 1 1 115 115 THR HA H 115 3.666 3.666 4.163 -0.497 18987 8595 1 14 . 1 1 115 115 THR C C 115 174.672 174.672 175.339 -0.667 18987 8596 1 14 . 1 1 115 115 THR CA C 115 65.710 65.710 64.214 1.496 18987 8597 1 14 . 1 1 115 115 THR CB C 115 68.700 68.700 69.366 -0.666 18987 8598 1 14 . 1 1 115 115 THR H H 115 7.591 7.591 7.613 -0.022 18987 8599 1 14 . 1 1 116 116 TRP N N 116 116.495 116.495 120.218 -3.723 18987 8600 1 14 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.606 0.697 18987 8601 1 14 . 1 1 116 116 TRP C C 116 176.553 176.553 177.623 -1.070 18987 8602 1 14 . 1 1 116 116 TRP CA C 116 55.620 55.620 58.654 -3.034 18987 8603 1 14 . 1 1 116 116 TRP CB C 116 31.430 31.430 29.835 1.595 18987 8604 1 14 . 1 1 116 116 TRP H H 116 7.661 7.661 7.476 0.185 18987 8605 1 14 . 1 1 117 117 LEU N N 117 116.588 116.588 116.987 -0.399 18987 8606 1 14 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.236 0.366 18987 8607 1 14 . 1 1 117 117 LEU C C 117 175.788 175.788 177.875 -2.087 18987 8608 1 14 . 1 1 117 117 LEU CA C 117 53.860 53.860 55.886 -2.026 18987 8609 1 14 . 1 1 117 117 LEU CB C 117 40.880 40.880 42.043 -1.163 18987 8610 1 14 . 1 1 117 117 LEU H H 117 6.922 6.922 7.944 -1.022 18987 8611 1 15 . 1 1 2 2 ILE N N 2 124.348 124.348 122.305 2.043 18987 8612 1 15 . 1 1 2 2 ILE HA H 2 3.576 3.576 4.058 -0.482 18987 8613 1 15 . 1 1 2 2 ILE C C 2 175.884 175.884 176.094 -0.210 18987 8614 1 15 . 1 1 2 2 ILE CA C 2 62.790 62.790 62.080 0.710 18987 8615 1 15 . 1 1 2 2 ILE CB C 2 40.400 40.400 37.443 2.958 18987 8616 1 15 . 1 1 2 2 ILE H H 2 7.539 7.539 8.182 -0.643 18987 8617 1 15 . 1 1 3 3 LYS N N 3 128.600 128.600 128.326 0.274 18987 8618 1 15 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.171 0.164 18987 8619 1 15 . 1 1 3 3 LYS C C 3 173.322 173.322 175.779 -2.457 18987 8620 1 15 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.682 1.948 18987 8621 1 15 . 1 1 3 3 LYS CB C 3 32.800 32.800 30.671 2.129 18987 8622 1 15 . 1 1 3 3 LYS H H 3 8.524 8.524 8.540 -0.016 18987 8623 1 15 . 1 1 4 4 PHE N N 4 128.560 128.560 127.838 0.722 18987 8624 1 15 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.787 0.048 18987 8625 1 15 . 1 1 4 4 PHE C C 4 172.546 172.546 173.918 -1.372 18987 8626 1 15 . 1 1 4 4 PHE CA C 4 56.570 56.570 55.652 0.918 18987 8627 1 15 . 1 1 4 4 PHE CB C 4 42.600 42.600 38.810 3.790 18987 8628 1 15 . 1 1 4 4 PHE H H 4 8.412 8.412 8.109 0.303 18987 8629 1 15 . 1 1 5 5 TYR N N 5 125.785 125.785 127.382 -1.597 18987 8630 1 15 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.284 -0.158 18987 8631 1 15 . 1 1 5 5 TYR C C 5 175.852 175.852 175.279 0.573 18987 8632 1 15 . 1 1 5 5 TYR CA C 5 57.980 57.980 58.328 -0.347 18987 8633 1 15 . 1 1 5 5 TYR CB C 5 38.550 38.550 39.112 -0.562 18987 8634 1 15 . 1 1 5 5 TYR H H 5 9.313 9.313 8.502 0.811 18987 8635 1 15 . 1 1 6 6 GLN N N 6 117.436 117.436 118.677 -1.241 18987 8636 1 15 . 1 1 6 6 GLN HA H 6 4.622 4.622 4.855 -0.233 18987 8637 1 15 . 1 1 6 6 GLN C C 6 171.951 171.951 173.407 -1.456 18987 8638 1 15 . 1 1 6 6 GLN CA C 6 53.430 53.430 53.835 -0.405 18987 8639 1 15 . 1 1 6 6 GLN CB C 6 30.490 30.490 32.023 -1.533 18987 8640 1 15 . 1 1 6 6 GLN H H 6 9.110 9.110 8.657 0.453 18987 8641 1 15 . 1 1 7 7 TYR N N 7 116.309 116.309 119.248 -2.939 18987 8642 1 15 . 1 1 7 7 TYR HA H 7 4.953 4.953 5.125 -0.172 18987 8643 1 15 . 1 1 7 7 TYR CA C 7 56.130 56.130 57.443 -1.313 18987 8644 1 15 . 1 1 7 7 TYR CB C 7 42.860 42.860 42.349 0.511 18987 8645 1 15 . 1 1 7 7 TYR H H 7 7.075 7.075 8.619 -1.544 18987 8646 1 15 . 1 1 12 12 THR HA H 12 3.868 3.868 4.069 -0.201 18987 8647 1 15 . 1 1 12 12 THR C C 12 176.203 176.203 176.239 -0.036 18987 8648 1 15 . 1 1 12 12 THR CA C 12 65.930 65.930 66.378 -0.448 18987 8649 1 15 . 1 1 12 12 THR CB C 12 68.630 68.630 68.275 0.355 18987 8650 1 15 . 1 1 13 13 CYS N N 13 116.721 116.721 120.493 -3.772 18987 8651 1 15 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.342 -0.111 18987 8652 1 15 . 1 1 13 13 CYS C C 13 174.938 174.938 176.167 -1.229 18987 8653 1 15 . 1 1 13 13 CYS CA C 13 63.790 63.790 62.104 1.686 18987 8654 1 15 . 1 1 13 13 CYS CB C 13 33.590 33.590 26.789 6.801 18987 8655 1 15 . 1 1 13 13 CYS H H 13 8.441 8.441 7.832 0.609 18987 8656 1 15 . 1 1 14 14 LYS N N 14 119.429 119.429 119.635 -0.206 18987 8657 1 15 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.036 0.001 18987 8658 1 15 . 1 1 14 14 LYS C C 14 179.370 179.370 179.273 0.097 18987 8659 1 15 . 1 1 14 14 LYS CA C 14 59.150 59.150 59.368 -0.218 18987 8660 1 15 . 1 1 14 14 LYS CB C 14 32.270 32.270 31.982 0.288 18987 8661 1 15 . 1 1 14 14 LYS H H 14 7.805 7.805 8.087 -0.282 18987 8662 1 15 . 1 1 15 15 LYS N N 15 119.379 119.379 119.075 0.304 18987 8663 1 15 . 1 1 15 15 LYS HA H 15 3.677 3.677 4.105 -0.428 18987 8664 1 15 . 1 1 15 15 LYS C C 15 177.999 177.999 179.167 -1.168 18987 8665 1 15 . 1 1 15 15 LYS CA C 15 59.270 59.270 59.075 0.195 18987 8666 1 15 . 1 1 15 15 LYS CB C 15 32.630 32.630 32.060 0.570 18987 8667 1 15 . 1 1 15 15 LYS H H 15 7.612 7.612 7.590 0.022 18987 8668 1 15 . 1 1 16 16 ALA N N 16 122.940 122.940 122.174 0.766 18987 8669 1 15 . 1 1 16 16 ALA HA H 16 2.906 2.906 4.425 -1.519 18987 8670 1 15 . 1 1 16 16 ALA C C 16 177.999 177.999 179.241 -1.242 18987 8671 1 15 . 1 1 16 16 ALA CA C 16 54.370 54.370 55.135 -0.764 18987 8672 1 15 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.370 0.900 18987 8673 1 15 . 1 1 16 16 ALA H H 16 7.346 7.346 8.224 -0.878 18987 8674 1 15 . 1 1 17 17 ALA N N 17 120.093 120.093 120.397 -0.304 18987 8675 1 15 . 1 1 17 17 ALA HA H 17 2.965 2.965 3.030 -0.065 18987 8676 1 15 . 1 1 17 17 ALA C C 17 178.466 178.466 179.312 -0.846 18987 8677 1 15 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.601 0.269 18987 8678 1 15 . 1 1 17 17 ALA CB C 17 17.270 17.270 18.206 -0.936 18987 8679 1 15 . 1 1 17 17 ALA H H 17 7.959 7.959 8.085 -0.126 18987 8680 1 15 . 1 1 18 18 LYS N N 18 115.894 115.894 119.901 -4.007 18987 8681 1 15 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.076 -0.111 18987 8682 1 15 . 1 1 18 18 LYS C C 18 178.647 178.647 178.405 0.242 18987 8683 1 15 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.669 0.241 18987 8684 1 15 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.121 0.059 18987 8685 1 15 . 1 1 18 18 LYS H H 18 7.565 7.565 7.817 -0.252 18987 8686 1 15 . 1 1 19 19 PHE N N 19 120.854 120.854 120.162 0.692 18987 8687 1 15 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.289 -0.050 18987 8688 1 15 . 1 1 19 19 PHE C C 19 176.925 176.925 177.429 -0.504 18987 8689 1 15 . 1 1 19 19 PHE CA C 19 61.730 61.730 61.783 -0.053 18987 8690 1 15 . 1 1 19 19 PHE CB C 19 39.140 39.140 39.323 -0.183 18987 8691 1 15 . 1 1 19 19 PHE H H 19 7.496 7.496 7.983 -0.487 18987 8692 1 15 . 1 1 20 20 LEU N N 20 118.913 118.913 118.772 0.141 18987 8693 1 15 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.621 0.277 18987 8694 1 15 . 1 1 20 20 LEU C C 20 179.657 179.657 178.485 1.172 18987 8695 1 15 . 1 1 20 20 LEU CA C 20 58.330 58.330 57.897 0.433 18987 8696 1 15 . 1 1 20 20 LEU CB C 20 40.460 40.460 40.872 -0.412 18987 8697 1 15 . 1 1 20 20 LEU H H 20 8.012 8.012 7.916 0.096 18987 8698 1 15 . 1 1 21 21 ASP N N 21 118.448 118.448 118.776 -0.328 18987 8699 1 15 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.421 0.035 18987 8700 1 15 . 1 1 21 21 ASP C C 21 180.358 180.358 178.518 1.840 18987 8701 1 15 . 1 1 21 21 ASP CA C 21 57.680 57.680 57.293 0.387 18987 8702 1 15 . 1 1 21 21 ASP CB C 21 40.520 40.520 41.066 -0.546 18987 8703 1 15 . 1 1 21 21 ASP H H 21 8.814 8.814 8.089 0.725 18987 8704 1 15 . 1 1 22 22 GLU N N 22 122.661 122.661 119.091 3.570 18987 8705 1 15 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.010 -0.268 18987 8706 1 15 . 1 1 22 22 GLU C C 22 178.371 178.371 178.161 0.210 18987 8707 1 15 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.649 0.591 18987 8708 1 15 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.473 -0.692 18987 8709 1 15 . 1 1 22 22 GLU H H 22 8.544 8.544 7.845 0.699 18987 8710 1 15 . 1 1 23 23 TYR N N 23 114.768 114.768 115.688 -0.920 18987 8711 1 15 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.466 -0.216 18987 8712 1 15 . 1 1 23 23 TYR C C 23 175.724 175.724 175.393 0.331 18987 8713 1 15 . 1 1 23 23 TYR CA C 23 59.070 59.070 58.344 0.726 18987 8714 1 15 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.607 0.413 18987 8715 1 15 . 1 1 23 23 TYR H H 23 7.522 7.522 7.611 -0.089 18987 8716 1 15 . 1 1 24 24 GLY N N 24 110.449 110.449 108.604 1.845 18987 8717 1 15 . 1 1 24 24 GLY C C 24 174.534 174.534 174.653 -0.119 18987 8718 1 15 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.462 1.658 18987 8719 1 15 . 1 1 24 24 GLY H H 24 7.792 7.792 7.410 0.382 18987 8720 1 15 . 1 1 25 25 VAL N N 25 122.714 122.714 119.307 3.407 18987 8721 1 15 . 1 1 25 25 VAL HA H 25 3.959 3.959 4.141 -0.182 18987 8722 1 15 . 1 1 25 25 VAL C C 25 176.266 176.266 175.973 0.293 18987 8723 1 15 . 1 1 25 25 VAL CA C 25 62.000 62.000 62.147 -0.147 18987 8724 1 15 . 1 1 25 25 VAL CB C 25 32.480 32.480 32.814 -0.334 18987 8725 1 15 . 1 1 25 25 VAL H H 25 8.393 8.393 8.033 0.360 18987 8726 1 15 . 1 1 26 26 SER N N 26 123.498 123.498 124.426 -0.928 18987 8727 1 15 . 1 1 26 26 SER HA H 26 4.351 4.351 4.432 -0.081 18987 8728 1 15 . 1 1 26 26 SER C C 26 173.513 173.513 173.390 0.123 18987 8729 1 15 . 1 1 26 26 SER CA C 26 59.040 59.040 58.710 0.330 18987 8730 1 15 . 1 1 26 26 SER CB C 26 63.530 63.530 61.844 1.686 18987 8731 1 15 . 1 1 26 26 SER H H 26 8.559 8.559 8.610 -0.051 18987 8732 1 15 . 1 1 27 27 TYR N N 27 119.756 119.756 122.234 -2.478 18987 8733 1 15 . 1 1 27 27 TYR HA H 27 4.983 4.983 5.167 -0.184 18987 8734 1 15 . 1 1 27 27 TYR C C 27 172.355 172.355 174.851 -2.496 18987 8735 1 15 . 1 1 27 27 TYR CA C 27 55.750 55.750 54.536 1.214 18987 8736 1 15 . 1 1 27 27 TYR CB C 27 40.730 40.730 40.961 -0.231 18987 8737 1 15 . 1 1 27 27 TYR H H 27 7.838 7.838 7.599 0.239 18987 8738 1 15 . 1 1 28 28 GLU N N 28 123.126 123.126 120.237 2.889 18987 8739 1 15 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.774 -0.046 18987 8740 1 15 . 1 1 28 28 GLU CA C 28 51.420 51.420 52.166 -0.746 18987 8741 1 15 . 1 1 28 28 GLU CB C 28 31.790 31.790 31.979 -0.189 18987 8742 1 15 . 1 1 28 28 GLU H H 28 9.006 9.006 8.940 0.066 18987 8743 1 15 . 1 1 29 29 PRO HA H 29 5.619 5.619 4.833 0.786 18987 8744 1 15 . 1 1 29 29 PRO C C 29 177.276 177.276 176.099 1.177 18987 8745 1 15 . 1 1 29 29 PRO CA C 29 61.820 61.820 63.116 -1.296 18987 8746 1 15 . 1 1 29 29 PRO CB C 29 31.890 31.890 30.837 1.053 18987 8747 1 15 . 1 1 30 30 ILE N N 30 127.043 127.043 117.778 9.265 18987 8748 1 15 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.476 -0.372 18987 8749 1 15 . 1 1 30 30 ILE C C 30 174.948 174.948 174.216 0.732 18987 8750 1 15 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.522 1.838 18987 8751 1 15 . 1 1 30 30 ILE CB C 30 42.210 42.210 40.838 1.372 18987 8752 1 15 . 1 1 30 30 ILE H H 30 9.148 9.148 8.232 0.916 18987 8753 1 15 . 1 1 31 31 ASP N N 31 128.946 128.946 123.036 5.910 18987 8754 1 15 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.375 -0.483 18987 8755 1 15 . 1 1 31 31 ASP C C 31 176.373 176.373 177.136 -0.763 18987 8756 1 15 . 1 1 31 31 ASP CA C 31 54.600 54.600 55.512 -0.912 18987 8757 1 15 . 1 1 31 31 ASP CB C 31 42.920 42.920 42.512 0.408 18987 8758 1 15 . 1 1 31 31 ASP H H 31 9.092 9.092 8.761 0.331 18987 8759 1 15 . 1 1 32 32 ILE N N 32 127.576 127.576 125.939 1.637 18987 8760 1 15 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.157 -0.065 18987 8761 1 15 . 1 1 32 32 ILE C C 32 174.013 174.013 176.487 -2.474 18987 8762 1 15 . 1 1 32 32 ILE CA C 32 62.520 62.520 62.864 -0.344 18987 8763 1 15 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.821 1.929 18987 8764 1 15 . 1 1 32 32 ILE H H 32 9.362 9.362 8.912 0.450 18987 8765 1 15 . 1 1 33 33 VAL N N 33 123.498 123.498 119.252 4.246 18987 8766 1 15 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.804 -0.161 18987 8767 1 15 . 1 1 33 33 VAL C C 33 176.819 176.819 177.539 -0.720 18987 8768 1 15 . 1 1 33 33 VAL CA C 33 65.050 65.050 64.336 0.714 18987 8769 1 15 . 1 1 33 33 VAL CB C 33 31.970 31.970 31.305 0.665 18987 8770 1 15 . 1 1 33 33 VAL H H 33 8.445 8.445 8.101 0.344 18987 8771 1 15 . 1 1 34 34 GLN N N 34 119.897 119.897 118.089 1.808 18987 8772 1 15 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.065 -0.112 18987 8773 1 15 . 1 1 34 34 GLN C C 34 176.734 176.734 175.939 0.795 18987 8774 1 15 . 1 1 34 34 GLN CA C 34 57.540 57.540 57.575 -0.035 18987 8775 1 15 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.157 0.703 18987 8776 1 15 . 1 1 34 34 GLN H H 34 8.650 8.650 8.373 0.277 18987 8777 1 15 . 1 1 35 35 HIS N N 35 118.090 118.090 117.723 0.367 18987 8778 1 15 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.959 0.005 18987 8779 1 15 . 1 1 35 35 HIS C C 35 173.758 173.758 173.774 -0.016 18987 8780 1 15 . 1 1 35 35 HIS CA C 35 53.660 53.660 54.745 -1.085 18987 8781 1 15 . 1 1 35 35 HIS CB C 35 29.190 29.190 30.595 -1.405 18987 8782 1 15 . 1 1 35 35 HIS H H 35 8.178 8.178 7.738 0.440 18987 8783 1 15 . 1 1 36 36 THR N N 36 118.794 118.794 119.583 -0.789 18987 8784 1 15 . 1 1 36 36 THR HA H 36 4.142 4.142 4.629 -0.487 18987 8785 1 15 . 1 1 36 36 THR CA C 36 62.080 62.080 61.361 0.719 18987 8786 1 15 . 1 1 36 36 THR CB C 36 70.180 70.180 68.988 1.192 18987 8787 1 15 . 1 1 36 36 THR H H 36 7.468 7.468 7.809 -0.341 18987 8788 1 15 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.326 -0.051 18987 8789 1 15 . 1 1 37 37 PRO C C 37 174.970 174.970 176.251 -1.281 18987 8790 1 15 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.630 0.340 18987 8791 1 15 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.559 -2.129 18987 8792 1 15 . 1 1 38 38 THR N N 38 111.512 111.512 112.912 -1.400 18987 8793 1 15 . 1 1 38 38 THR HA H 38 4.298 4.298 4.318 -0.020 18987 8794 1 15 . 1 1 38 38 THR C C 38 175.756 175.756 176.541 -0.785 18987 8795 1 15 . 1 1 38 38 THR CA C 38 60.700 60.700 60.895 -0.195 18987 8796 1 15 . 1 1 38 38 THR CB C 38 71.560 71.560 69.873 1.687 18987 8797 1 15 . 1 1 38 38 THR H H 38 8.220 8.220 7.893 0.327 18987 8798 1 15 . 1 1 39 39 ILE N N 39 119.950 119.950 120.807 -0.857 18987 8799 1 15 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.865 -0.188 18987 8800 1 15 . 1 1 39 39 ILE C C 39 177.871 177.871 177.750 0.121 18987 8801 1 15 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.485 1.615 18987 8802 1 15 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.656 0.484 18987 8803 1 15 . 1 1 39 39 ILE H H 39 8.763 8.763 8.574 0.189 18987 8804 1 15 . 1 1 40 40 ASN N N 40 116.189 116.189 117.724 -1.535 18987 8805 1 15 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.464 -0.115 18987 8806 1 15 . 1 1 40 40 ASN C C 40 178.445 178.445 177.592 0.853 18987 8807 1 15 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.443 -0.113 18987 8808 1 15 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.359 0.580 18987 8809 1 15 . 1 1 40 40 ASN H H 40 8.180 8.180 8.398 -0.218 18987 8810 1 15 . 1 1 41 41 GLU N N 41 121.970 121.970 120.778 1.192 18987 8811 1 15 . 1 1 41 41 GLU HA H 41 3.915 3.915 3.992 -0.077 18987 8812 1 15 . 1 1 41 41 GLU C C 41 180.093 180.093 178.983 1.110 18987 8813 1 15 . 1 1 41 41 GLU CA C 41 59.590 59.590 59.260 0.331 18987 8814 1 15 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.261 0.489 18987 8815 1 15 . 1 1 41 41 GLU H H 41 7.782 7.782 7.655 0.127 18987 8816 1 15 . 1 1 42 42 PHE N N 42 118.929 118.929 118.932 -0.003 18987 8817 1 15 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.135 0.035 18987 8818 1 15 . 1 1 42 42 PHE C C 42 178.488 178.488 177.583 0.905 18987 8819 1 15 . 1 1 42 42 PHE CA C 42 63.020 63.020 61.723 1.297 18987 8820 1 15 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.608 0.622 18987 8821 1 15 . 1 1 42 42 PHE H H 42 8.776 8.776 8.262 0.514 18987 8822 1 15 . 1 1 43 43 LYS N N 43 118.820 118.820 118.395 0.425 18987 8823 1 15 . 1 1 43 43 LYS HA H 43 3.795 3.795 4.014 -0.219 18987 8824 1 15 . 1 1 43 43 LYS C C 43 179.816 179.816 179.411 0.405 18987 8825 1 15 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.548 1.602 18987 8826 1 15 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.954 0.286 18987 8827 1 15 . 1 1 43 43 LYS H H 43 8.775 8.775 8.088 0.687 18987 8828 1 15 . 1 1 44 44 THR N N 44 118.754 118.754 117.585 1.169 18987 8829 1 15 . 1 1 44 44 THR HA H 44 3.894 3.894 4.076 -0.182 18987 8830 1 15 . 1 1 44 44 THR C C 44 175.214 175.214 176.527 -1.313 18987 8831 1 15 . 1 1 44 44 THR CA C 44 66.900 66.900 66.605 0.295 18987 8832 1 15 . 1 1 44 44 THR CB C 44 68.920 68.920 68.833 0.087 18987 8833 1 15 . 1 1 44 44 THR H H 44 7.959 7.959 7.918 0.041 18987 8834 1 15 . 1 1 45 45 ILE N N 45 122.671 122.671 118.758 3.913 18987 8835 1 15 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.893 -0.086 18987 8836 1 15 . 1 1 45 45 ILE C C 45 180.273 180.273 178.118 2.155 18987 8837 1 15 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.796 1.254 18987 8838 1 15 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.413 1.337 18987 8839 1 15 . 1 1 45 45 ILE H H 45 8.100 8.100 7.779 0.321 18987 8840 1 15 . 1 1 46 46 ILE N N 46 123.392 123.392 121.156 2.236 18987 8841 1 15 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.914 -0.389 18987 8842 1 15 . 1 1 46 46 ILE C C 46 178.509 178.509 177.391 1.118 18987 8843 1 15 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.800 1.010 18987 8844 1 15 . 1 1 46 46 ILE CB C 46 38.110 38.110 38.142 -0.032 18987 8845 1 15 . 1 1 46 46 ILE H H 46 8.778 8.778 8.191 0.587 18987 8846 1 15 . 1 1 47 47 ALA N N 47 123.336 123.336 120.557 2.779 18987 8847 1 15 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.148 -0.100 18987 8848 1 15 . 1 1 47 47 ALA C C 47 180.114 180.114 179.055 1.059 18987 8849 1 15 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.521 0.379 18987 8850 1 15 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.440 -0.110 18987 8851 1 15 . 1 1 47 47 ALA H H 47 8.232 8.232 7.784 0.448 18987 8852 1 15 . 1 1 48 48 ASN N N 48 114.090 114.090 116.580 -2.490 18987 8853 1 15 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.656 -0.166 18987 8854 1 15 . 1 1 48 48 ASN C C 48 177.776 177.776 177.275 0.501 18987 8855 1 15 . 1 1 48 48 ASN CA C 48 55.070 55.070 54.815 0.255 18987 8856 1 15 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.237 -0.567 18987 8857 1 15 . 1 1 48 48 ASN H H 48 8.464 8.464 8.395 0.069 18987 8858 1 15 . 1 1 49 49 THR N N 49 106.742 106.742 111.214 -4.472 18987 8859 1 15 . 1 1 49 49 THR HA H 49 4.471 4.471 4.549 -0.078 18987 8860 1 15 . 1 1 49 49 THR C C 49 176.968 176.968 176.139 0.829 18987 8861 1 15 . 1 1 49 49 THR CA C 49 62.550 62.550 62.807 -0.257 18987 8862 1 15 . 1 1 49 49 THR CB C 49 72.150 72.150 70.058 2.092 18987 8863 1 15 . 1 1 49 49 THR H H 49 8.035 8.035 7.927 0.108 18987 8864 1 15 . 1 1 50 50 GLY N N 50 112.246 112.246 111.090 1.156 18987 8865 1 15 . 1 1 50 50 GLY C C 50 174.055 174.055 174.482 -0.427 18987 8866 1 15 . 1 1 50 50 GLY CA C 50 45.940 45.940 45.136 0.804 18987 8867 1 15 . 1 1 50 50 GLY H H 50 8.323 8.323 7.899 0.424 18987 8868 1 15 . 1 1 51 51 VAL N N 51 121.212 121.212 119.296 1.916 18987 8869 1 15 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.170 -0.295 18987 8870 1 15 . 1 1 51 51 VAL C C 51 173.120 173.120 175.671 -2.551 18987 8871 1 15 . 1 1 51 51 VAL CA C 51 61.380 61.380 60.868 0.512 18987 8872 1 15 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.786 -1.896 18987 8873 1 15 . 1 1 51 51 VAL H H 51 7.429 7.429 7.433 -0.004 18987 8874 1 15 . 1 1 52 52 GLU N N 52 126.158 126.158 125.991 0.167 18987 8875 1 15 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.287 -0.178 18987 8876 1 15 . 1 1 52 52 GLU C C 52 178.190 178.190 176.703 1.487 18987 8877 1 15 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.453 -0.213 18987 8878 1 15 . 1 1 52 52 GLU CB C 52 30.190 30.190 29.992 0.198 18987 8879 1 15 . 1 1 52 52 GLU H H 52 7.881 7.881 8.491 -0.610 18987 8880 1 15 . 1 1 53 53 ILE N N 53 125.807 125.807 126.509 -0.702 18987 8881 1 15 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.780 -0.356 18987 8882 1 15 . 1 1 53 53 ILE C C 53 177.425 177.425 177.286 0.139 18987 8883 1 15 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.556 2.224 18987 8884 1 15 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.166 -0.206 18987 8885 1 15 . 1 1 53 53 ILE H H 53 8.430 8.430 8.858 -0.428 18987 8886 1 15 . 1 1 54 54 ASN N N 54 116.588 116.588 117.943 -1.355 18987 8887 1 15 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.757 -0.301 18987 8888 1 15 . 1 1 54 54 ASN C C 54 178.807 178.807 177.242 1.565 18987 8889 1 15 . 1 1 54 54 ASN CA C 54 55.770 55.770 56.327 -0.557 18987 8890 1 15 . 1 1 54 54 ASN CB C 54 37.140 37.140 38.141 -1.001 18987 8891 1 15 . 1 1 54 54 ASN H H 54 8.585 8.585 8.411 0.174 18987 8892 1 15 . 1 1 55 55 LYS N N 55 117.013 117.013 116.718 0.295 18987 8893 1 15 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.089 0.013 18987 8894 1 15 . 1 1 55 55 LYS C C 55 176.819 176.819 176.995 -0.176 18987 8895 1 15 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.042 -0.482 18987 8896 1 15 . 1 1 55 55 LYS CB C 55 32.180 32.180 31.532 0.648 18987 8897 1 15 . 1 1 55 55 LYS H H 55 7.661 7.661 8.214 -0.553 18987 8898 1 15 . 1 1 56 56 LEU N N 56 114.768 114.768 118.627 -3.859 18987 8899 1 15 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.249 -0.322 18987 8900 1 15 . 1 1 56 56 LEU C C 56 176.702 176.702 176.547 0.155 18987 8901 1 15 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.351 0.569 18987 8902 1 15 . 1 1 56 56 LEU CB C 56 42.020 42.020 41.883 0.137 18987 8903 1 15 . 1 1 56 56 LEU H H 56 7.690 7.690 7.125 0.565 18987 8904 1 15 . 1 1 57 57 PHE N N 57 114.558 114.558 117.861 -3.303 18987 8905 1 15 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.654 -0.206 18987 8906 1 15 . 1 1 57 57 PHE C C 57 176.319 176.319 176.439 -0.120 18987 8907 1 15 . 1 1 57 57 PHE CA C 57 58.470 58.470 58.286 0.184 18987 8908 1 15 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.773 0.927 18987 8909 1 15 . 1 1 57 57 PHE H H 57 7.032 7.032 7.459 -0.427 18987 8910 1 15 . 1 1 58 58 ASN N N 58 118.674 118.674 120.191 -1.517 18987 8911 1 15 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.440 0.046 18987 8912 1 15 . 1 1 58 58 ASN CA C 58 51.540 51.540 53.681 -2.141 18987 8913 1 15 . 1 1 58 58 ASN CB C 58 36.910 36.910 38.045 -1.135 18987 8914 1 15 . 1 1 58 58 ASN H H 58 8.659 8.659 8.502 0.157 18987 8915 1 15 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.686 -0.124 18987 8916 1 15 . 1 1 60 60 HIS C C 60 176.309 176.309 175.897 0.412 18987 8917 1 15 . 1 1 60 60 HIS CA C 60 55.920 55.920 55.533 0.387 18987 8918 1 15 . 1 1 60 60 HIS CB C 60 30.890 30.890 31.327 -0.437 18987 8919 1 15 . 1 1 61 61 GLY N N 61 106.925 106.925 110.356 -3.431 18987 8920 1 15 . 1 1 61 61 GLY CA C 61 45.180 45.180 44.739 0.441 18987 8921 1 15 . 1 1 61 61 GLY H H 61 7.284 7.284 8.622 -1.338 18987 8922 1 15 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.144 -0.096 18987 8923 1 15 . 1 1 63 63 LYS C C 63 177.435 177.435 179.029 -1.594 18987 8924 1 15 . 1 1 63 63 LYS CA C 63 58.300 58.300 58.828 -0.528 18987 8925 1 15 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.597 -1.437 18987 8926 1 15 . 1 1 64 64 TYR N N 64 119.737 119.737 120.378 -0.641 18987 8927 1 15 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.117 -0.461 18987 8928 1 15 . 1 1 64 64 TYR C C 64 178.339 178.339 175.983 2.356 18987 8929 1 15 . 1 1 64 64 TYR CA C 64 61.610 61.610 61.328 0.282 18987 8930 1 15 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.605 0.295 18987 8931 1 15 . 1 1 64 64 TYR H H 64 7.644 7.644 7.941 -0.297 18987 8932 1 15 . 1 1 65 65 ARG N N 65 118.236 118.236 115.691 2.545 18987 8933 1 15 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.361 -0.151 18987 8934 1 15 . 1 1 65 65 ARG C C 65 179.816 179.816 177.427 2.389 18987 8935 1 15 . 1 1 65 65 ARG CA C 65 59.090 59.090 56.847 2.243 18987 8936 1 15 . 1 1 65 65 ARG CB C 65 30.160 30.160 29.793 0.367 18987 8937 1 15 . 1 1 65 65 ARG H H 65 7.358 7.358 7.581 -0.223 18987 8938 1 15 . 1 1 66 66 GLU N N 66 123.063 123.063 120.957 2.106 18987 8939 1 15 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.192 -0.275 18987 8940 1 15 . 1 1 66 66 GLU C C 66 178.626 178.626 177.830 0.796 18987 8941 1 15 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.745 0.706 18987 8942 1 15 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.734 -0.044 18987 8943 1 15 . 1 1 66 66 GLU H H 66 8.789 8.789 7.733 1.056 18987 8944 1 15 . 1 1 67 67 LEU N N 67 115.817 115.817 117.529 -1.712 18987 8945 1 15 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.281 -0.151 18987 8946 1 15 . 1 1 67 67 LEU C C 67 176.171 176.171 176.294 -0.123 18987 8947 1 15 . 1 1 67 67 LEU CA C 67 54.750 54.750 55.110 -0.360 18987 8948 1 15 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.086 -0.066 18987 8949 1 15 . 1 1 67 67 LEU H H 67 7.907 7.907 7.745 0.162 18987 8950 1 15 . 1 1 68 68 ASP N N 68 118.063 118.063 114.718 3.345 18987 8951 1 15 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.258 0.156 18987 8952 1 15 . 1 1 68 68 ASP C C 68 177.521 177.521 176.702 0.819 18987 8953 1 15 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.703 -0.303 18987 8954 1 15 . 1 1 68 68 ASP CB C 68 39.640 39.640 38.316 1.324 18987 8955 1 15 . 1 1 68 68 ASP H H 68 7.878 7.878 8.053 -0.175 18987 8956 1 15 . 1 1 69 69 LEU N N 69 115.724 115.724 118.274 -2.550 18987 8957 1 15 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.811 -0.372 18987 8958 1 15 . 1 1 69 69 LEU C C 69 177.584 177.584 178.342 -0.758 18987 8959 1 15 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.094 0.386 18987 8960 1 15 . 1 1 69 69 LEU CB C 69 38.700 38.700 41.057 -2.357 18987 8961 1 15 . 1 1 69 69 LEU H H 69 7.285 7.285 7.462 -0.177 18987 8962 1 15 . 1 1 70 70 LYS N N 70 119.751 119.751 118.421 1.330 18987 8963 1 15 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.612 0.349 18987 8964 1 15 . 1 1 70 70 LYS C C 70 177.903 177.903 178.371 -0.468 18987 8965 1 15 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.610 0.870 18987 8966 1 15 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.457 0.523 18987 8967 1 15 . 1 1 70 70 LYS H H 70 8.601 8.601 7.421 1.180 18987 8968 1 15 . 1 1 71 71 ASN N N 71 113.386 113.386 117.074 -3.688 18987 8969 1 15 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.432 0.294 18987 8970 1 15 . 1 1 71 71 ASN C C 71 176.808 176.808 176.965 -0.157 18987 8971 1 15 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.645 -1.276 18987 8972 1 15 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.175 1.785 18987 8973 1 15 . 1 1 71 71 ASN H H 71 6.965 6.965 7.714 -0.749 18987 8974 1 15 . 1 1 72 72 LYS N N 72 118.475 118.475 118.174 0.301 18987 8975 1 15 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.257 -0.108 18987 8976 1 15 . 1 1 72 72 LYS C C 72 178.849 178.849 177.829 1.020 18987 8977 1 15 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.660 -0.740 18987 8978 1 15 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.868 1.162 18987 8979 1 15 . 1 1 72 72 LYS H H 72 8.113 8.113 7.555 0.558 18987 8980 1 15 . 1 1 73 73 LEU N N 73 120.458 120.458 120.655 -0.197 18987 8981 1 15 . 1 1 73 73 LEU HA H 73 3.599 3.599 3.972 -0.373 18987 8982 1 15 . 1 1 73 73 LEU C C 73 178.126 178.126 178.548 -0.422 18987 8983 1 15 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.455 1.375 18987 8984 1 15 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.511 -0.611 18987 8985 1 15 . 1 1 73 73 LEU H H 73 8.549 8.549 8.211 0.338 18987 8986 1 15 . 1 1 74 74 GLN N N 74 112.719 112.719 115.336 -2.617 18987 8987 1 15 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.172 0.006 18987 8988 1 15 . 1 1 74 74 GLN C C 74 176.883 176.883 177.143 -0.260 18987 8989 1 15 . 1 1 74 74 GLN CA C 74 57.250 57.250 58.081 -0.831 18987 8990 1 15 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.164 0.266 18987 8991 1 15 . 1 1 74 74 GLN H H 74 7.918 7.918 7.855 0.063 18987 8992 1 15 . 1 1 75 75 THR N N 75 108.336 108.336 113.718 -5.382 18987 8993 1 15 . 1 1 75 75 THR HA H 75 4.410 4.410 4.464 -0.054 18987 8994 1 15 . 1 1 75 75 THR C C 75 174.619 174.619 174.993 -0.374 18987 8995 1 15 . 1 1 75 75 THR CA C 75 61.760 61.760 62.279 -0.519 18987 8996 1 15 . 1 1 75 75 THR CB C 75 69.950 69.950 70.187 -0.237 18987 8997 1 15 . 1 1 75 75 THR H H 75 7.620 7.620 7.559 0.061 18987 8998 1 15 . 1 1 76 76 LEU N N 76 122.754 122.754 120.775 1.979 18987 8999 1 15 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.684 -0.196 18987 9000 1 15 . 1 1 76 76 LEU C C 76 177.234 177.234 175.870 1.364 18987 9001 1 15 . 1 1 76 76 LEU CA C 76 54.190 54.190 53.884 0.306 18987 9002 1 15 . 1 1 76 76 LEU CB C 76 44.040 44.040 41.774 2.266 18987 9003 1 15 . 1 1 76 76 LEU H H 76 7.191 7.191 7.584 -0.393 18987 9004 1 15 . 1 1 77 77 SER N N 77 119.431 119.431 113.154 6.277 18987 9005 1 15 . 1 1 77 77 SER HA H 77 4.465 4.465 4.640 -0.175 18987 9006 1 15 . 1 1 77 77 SER C C 77 175.320 175.320 174.889 0.431 18987 9007 1 15 . 1 1 77 77 SER CA C 77 57.360 57.360 57.424 -0.064 18987 9008 1 15 . 1 1 77 77 SER CB C 77 65.080 65.080 64.719 0.361 18987 9009 1 15 . 1 1 77 77 SER H H 77 9.367 9.367 8.088 1.279 18987 9010 1 15 . 1 1 78 78 ASP N N 78 122.766 122.766 122.762 0.004 18987 9011 1 15 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.367 -0.172 18987 9012 1 15 . 1 1 78 78 ASP C C 78 178.211 178.211 177.983 0.228 18987 9013 1 15 . 1 1 78 78 ASP CA C 78 58.470 58.470 57.502 0.968 18987 9014 1 15 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.739 -1.279 18987 9015 1 15 . 1 1 78 78 ASP H H 78 9.055 9.055 8.875 0.180 18987 9016 1 15 . 1 1 79 79 ASP N N 79 117.917 117.917 120.216 -2.299 18987 9017 1 15 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.345 -0.070 18987 9018 1 15 . 1 1 79 79 ASP C C 79 179.179 179.179 177.934 1.245 18987 9019 1 15 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.481 0.519 18987 9020 1 15 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.875 -0.565 18987 9021 1 15 . 1 1 79 79 ASP H H 79 8.245 8.245 8.550 -0.305 18987 9022 1 15 . 1 1 80 80 GLU N N 80 120.229 120.229 119.490 0.739 18987 9023 1 15 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.237 -0.320 18987 9024 1 15 . 1 1 80 80 GLU C C 80 180.369 180.369 179.070 1.299 18987 9025 1 15 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.898 0.402 18987 9026 1 15 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.504 1.416 18987 9027 1 15 . 1 1 80 80 GLU H H 80 7.732 7.732 7.831 -0.099 18987 9028 1 15 . 1 1 81 81 LYS N N 81 120.163 120.163 119.671 0.492 18987 9029 1 15 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.284 -0.438 18987 9030 1 15 . 1 1 81 81 LYS C C 81 177.956 177.956 179.266 -1.310 18987 9031 1 15 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.592 1.348 18987 9032 1 15 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.482 1.138 18987 9033 1 15 . 1 1 81 81 LYS H H 81 8.340 8.340 7.448 0.892 18987 9034 1 15 . 1 1 82 82 LEU N N 82 117.478 117.478 119.329 -1.851 18987 9035 1 15 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.664 0.009 18987 9036 1 15 . 1 1 82 82 LEU C C 82 178.870 178.870 178.722 0.148 18987 9037 1 15 . 1 1 82 82 LEU CA C 82 57.770 57.770 58.144 -0.374 18987 9038 1 15 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.659 0.091 18987 9039 1 15 . 1 1 82 82 LEU H H 82 8.161 8.161 7.836 0.325 18987 9040 1 15 . 1 1 83 83 GLU N N 83 119.824 119.824 118.883 0.941 18987 9041 1 15 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.954 -0.214 18987 9042 1 15 . 1 1 83 83 GLU C C 83 179.009 179.009 179.328 -0.319 18987 9043 1 15 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.417 0.062 18987 9044 1 15 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.494 -0.154 18987 9045 1 15 . 1 1 83 83 GLU H H 83 7.999 7.999 7.618 0.381 18987 9046 1 15 . 1 1 84 84 LEU N N 84 119.684 119.684 119.787 -0.103 18987 9047 1 15 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.937 0.005 18987 9048 1 15 . 1 1 84 84 LEU C C 84 179.264 179.264 179.120 0.144 18987 9049 1 15 . 1 1 84 84 LEU CA C 84 58.090 58.090 57.996 0.094 18987 9050 1 15 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.825 0.485 18987 9051 1 15 . 1 1 84 84 LEU H H 84 7.470 7.470 7.957 -0.487 18987 9052 1 15 . 1 1 85 85 LEU N N 85 119.086 119.086 118.401 0.685 18987 9053 1 15 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.684 -0.300 18987 9054 1 15 . 1 1 85 85 LEU C C 85 176.064 176.064 179.142 -3.078 18987 9055 1 15 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.205 0.655 18987 9056 1 15 . 1 1 85 85 LEU CB C 85 42.360 42.360 40.988 1.372 18987 9057 1 15 . 1 1 85 85 LEU H H 85 7.726 7.726 7.718 0.008 18987 9058 1 15 . 1 1 86 86 SER N N 86 105.708 105.708 112.735 -7.027 18987 9059 1 15 . 1 1 86 86 SER HA H 86 4.283 4.283 4.764 -0.481 18987 9060 1 15 . 1 1 86 86 SER C C 86 176.351 176.351 175.868 0.483 18987 9061 1 15 . 1 1 86 86 SER CA C 86 60.380 60.380 60.356 0.024 18987 9062 1 15 . 1 1 86 86 SER CB C 86 64.400 64.400 63.356 1.044 18987 9063 1 15 . 1 1 86 86 SER H H 86 7.617 7.617 7.936 -0.319 18987 9064 1 15 . 1 1 87 87 SER N N 87 115.392 115.392 115.428 -0.036 18987 9065 1 15 . 1 1 87 87 SER HA H 87 4.345 4.345 4.468 -0.123 18987 9066 1 15 . 1 1 87 87 SER C C 87 174.534 174.534 174.310 0.224 18987 9067 1 15 . 1 1 87 87 SER CA C 87 59.820 59.820 60.085 -0.265 18987 9068 1 15 . 1 1 87 87 SER CB C 87 64.340 64.340 63.997 0.343 18987 9069 1 15 . 1 1 87 87 SER H H 87 7.644 7.644 7.718 -0.074 18987 9070 1 15 . 1 1 88 88 ASP N N 88 120.295 120.295 120.016 0.279 18987 9071 1 15 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.780 -0.176 18987 9072 1 15 . 1 1 88 88 ASP C C 88 175.618 175.618 176.258 -0.640 18987 9073 1 15 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.553 0.457 18987 9074 1 15 . 1 1 88 88 ASP CB C 88 41.020 41.020 43.049 -2.029 18987 9075 1 15 . 1 1 88 88 ASP H H 88 7.104 7.104 7.505 -0.401 18987 9076 1 15 . 1 1 89 89 GLY N N 89 111.841 111.841 112.168 -0.327 18987 9077 1 15 . 1 1 89 89 GLY C C 89 176.171 176.171 175.108 1.063 18987 9078 1 15 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.628 1.052 18987 9079 1 15 . 1 1 89 89 GLY H H 89 9.325 9.325 8.758 0.567 18987 9080 1 15 . 1 1 90 90 MET N N 90 117.877 117.877 117.722 0.155 18987 9081 1 15 . 1 1 90 90 MET HA H 90 4.075 4.075 4.293 -0.218 18987 9082 1 15 . 1 1 90 90 MET C C 90 178.456 178.456 178.218 0.238 18987 9083 1 15 . 1 1 90 90 MET CA C 90 56.400 56.400 56.356 0.044 18987 9084 1 15 . 1 1 90 90 MET CB C 90 30.540 30.540 32.417 -1.877 18987 9085 1 15 . 1 1 90 90 MET H H 90 8.593 8.593 7.449 1.144 18987 9086 1 15 . 1 1 91 91 LEU N N 91 118.027 118.027 119.639 -1.612 18987 9087 1 15 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.322 -0.043 18987 9088 1 15 . 1 1 91 91 LEU C C 91 176.298 176.298 176.942 -0.644 18987 9089 1 15 . 1 1 91 91 LEU CA C 91 55.460 55.460 56.580 -1.120 18987 9090 1 15 . 1 1 91 91 LEU CB C 91 43.130 43.130 42.187 0.943 18987 9091 1 15 . 1 1 91 91 LEU H H 91 8.224 8.224 7.900 0.324 18987 9092 1 15 . 1 1 92 92 VAL N N 92 120.960 120.960 116.672 4.288 18987 9093 1 15 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.191 -0.190 18987 9094 1 15 . 1 1 92 92 VAL C C 92 175.990 175.990 176.192 -0.202 18987 9095 1 15 . 1 1 92 92 VAL CA C 92 61.150 61.150 61.836 -0.685 18987 9096 1 15 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.515 -0.245 18987 9097 1 15 . 1 1 92 92 VAL H H 92 7.093 7.093 7.045 0.048 18987 9098 1 15 . 1 1 93 93 LYS N N 93 130.687 130.687 125.973 4.714 18987 9099 1 15 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.132 -0.426 18987 9100 1 15 . 1 1 93 93 LYS C C 93 171.855 171.855 176.915 -5.060 18987 9101 1 15 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.530 1.390 18987 9102 1 15 . 1 1 93 93 LYS CB C 93 32.800 32.800 31.372 1.428 18987 9103 1 15 . 1 1 93 93 LYS H H 93 8.442 8.442 8.190 0.252 18987 9104 1 15 . 1 1 94 94 ARG N N 94 115.791 115.791 123.799 -8.008 18987 9105 1 15 . 1 1 94 94 ARG H H 94 7.676 7.676 8.311 -0.635 18987 9106 1 15 . 1 1 95 95 PRO C C 95 175.108 175.108 175.470 -0.362 18987 9107 1 15 . 1 1 96 96 LEU N N 96 128.494 128.494 126.093 2.401 18987 9108 1 15 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.430 -0.449 18987 9109 1 15 . 1 1 96 96 LEU C C 96 173.216 173.216 174.237 -1.021 18987 9110 1 15 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.800 1.070 18987 9111 1 15 . 1 1 96 96 LEU CB C 96 43.660 43.660 46.958 -3.298 18987 9112 1 15 . 1 1 96 96 LEU H H 96 8.246 8.246 8.645 -0.399 18987 9113 1 15 . 1 1 97 97 ALA N N 97 131.035 131.035 126.473 4.562 18987 9114 1 15 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.443 0.427 18987 9115 1 15 . 1 1 97 97 ALA C C 97 174.938 174.938 175.061 -0.123 18987 9116 1 15 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.380 -1.530 18987 9117 1 15 . 1 1 97 97 ALA CB C 97 20.070 20.070 21.950 -1.880 18987 9118 1 15 . 1 1 97 97 ALA H H 97 8.839 8.839 8.963 -0.124 18987 9119 1 15 . 1 1 98 98 VAL N N 98 119.830 119.830 124.186 -4.356 18987 9120 1 15 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.360 0.196 18987 9121 1 15 . 1 1 98 98 VAL C C 98 173.896 173.896 173.556 0.340 18987 9122 1 15 . 1 1 98 98 VAL CA C 98 59.270 59.270 59.536 -0.266 18987 9123 1 15 . 1 1 98 98 VAL CB C 98 35.970 35.970 35.691 0.279 18987 9124 1 15 . 1 1 98 98 VAL H H 98 8.824 8.824 8.793 0.031 18987 9125 1 15 . 1 1 99 99 MET N N 99 127.537 127.537 123.039 4.498 18987 9126 1 15 . 1 1 99 99 MET HA H 99 4.430 4.430 4.987 -0.557 18987 9127 1 15 . 1 1 99 99 MET CA C 99 56.710 56.710 54.006 2.704 18987 9128 1 15 . 1 1 99 99 MET CB C 99 31.050 31.050 36.211 -5.161 18987 9129 1 15 . 1 1 99 99 MET H H 99 8.873 8.873 8.948 -0.075 18987 9130 1 15 . 1 1 100 100 GLY C C 100 173.024 173.024 174.470 -1.446 18987 9131 1 15 . 1 1 100 100 GLY CA C 100 47.970 47.970 46.872 1.098 18987 9132 1 15 . 1 1 101 101 ASP N N 101 124.308 124.308 114.928 9.380 18987 9133 1 15 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.725 -0.526 18987 9134 1 15 . 1 1 101 101 ASP C C 101 175.172 175.172 175.436 -0.264 18987 9135 1 15 . 1 1 101 101 ASP CA C 101 53.310 53.310 53.142 0.169 18987 9136 1 15 . 1 1 101 101 ASP CB C 101 40.170 40.170 41.831 -1.661 18987 9137 1 15 . 1 1 101 101 ASP H H 101 8.257 8.257 8.560 -0.303 18987 9138 1 15 . 1 1 102 102 LYS N N 102 121.002 121.002 119.705 1.297 18987 9139 1 15 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.657 -0.251 18987 9140 1 15 . 1 1 102 102 LYS C C 102 174.257 174.257 174.181 0.076 18987 9141 1 15 . 1 1 102 102 LYS CA C 102 55.370 55.370 55.276 0.094 18987 9142 1 15 . 1 1 102 102 LYS CB C 102 36.230 36.230 34.955 1.275 18987 9143 1 15 . 1 1 102 102 LYS H H 102 8.108 8.108 7.884 0.224 18987 9144 1 15 . 1 1 103 103 ILE N N 103 118.488 118.488 121.054 -2.566 18987 9145 1 15 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.104 0.755 18987 9146 1 15 . 1 1 103 103 ILE C C 103 173.652 173.652 173.733 -0.081 18987 9147 1 15 . 1 1 103 103 ILE CA C 103 58.620 58.620 60.273 -1.653 18987 9148 1 15 . 1 1 103 103 ILE CB C 103 42.250 42.250 41.874 0.376 18987 9149 1 15 . 1 1 103 103 ILE H H 103 8.038 8.038 8.181 -0.143 18987 9150 1 15 . 1 1 104 104 THR N N 104 115.441 115.441 116.600 -1.159 18987 9151 1 15 . 1 1 104 104 THR HA H 104 4.524 4.524 4.657 -0.133 18987 9152 1 15 . 1 1 104 104 THR C C 104 173.503 173.503 172.797 0.706 18987 9153 1 15 . 1 1 104 104 THR CA C 104 60.660 60.660 60.288 0.372 18987 9154 1 15 . 1 1 104 104 THR CB C 104 72.460 72.460 71.718 0.742 18987 9155 1 15 . 1 1 104 104 THR H H 104 9.360 9.360 8.905 0.456 18987 9156 1 15 . 1 1 105 105 LEU N N 105 123.352 123.352 126.880 -3.528 18987 9157 1 15 . 1 1 105 105 LEU HA H 105 5.023 5.023 4.649 0.374 18987 9158 1 15 . 1 1 105 105 LEU C C 105 178.860 178.860 177.795 1.065 18987 9159 1 15 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.491 -1.451 18987 9160 1 15 . 1 1 105 105 LEU CB C 105 44.290 44.290 43.484 0.805 18987 9161 1 15 . 1 1 105 105 LEU H H 105 8.857 8.857 8.403 0.454 18987 9162 1 15 . 1 1 106 106 GLY N N 106 108.363 108.363 111.391 -3.028 18987 9163 1 15 . 1 1 106 106 GLY C C 106 172.100 172.100 173.530 -1.430 18987 9164 1 15 . 1 1 106 106 GLY CA C 106 44.870 44.870 44.707 0.163 18987 9165 1 15 . 1 1 106 106 GLY H H 106 8.241 8.241 8.483 -0.242 18987 9166 1 15 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.692 -0.004 18987 9167 1 15 . 1 1 107 107 PHE CA C 107 58.000 58.000 57.807 0.193 18987 9168 1 15 . 1 1 107 107 PHE CB C 107 41.620 41.620 39.074 2.546 18987 9169 1 15 . 1 1 108 108 LYS N N 108 129.677 129.677 128.236 1.441 18987 9170 1 15 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.246 -0.344 18987 9171 1 15 . 1 1 108 108 LYS CA C 108 54.650 54.650 54.540 0.110 18987 9172 1 15 . 1 1 108 108 LYS CB C 108 34.130 34.130 32.872 1.258 18987 9173 1 15 . 1 1 108 108 LYS H H 108 7.351 7.351 7.092 0.259 18987 9174 1 15 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.256 -0.295 18987 9175 1 15 . 1 1 109 109 GLU C C 109 177.255 177.255 177.552 -0.297 18987 9176 1 15 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.748 1.092 18987 9177 1 15 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.516 -0.216 18987 9178 1 15 . 1 1 110 110 ASP N N 110 115.831 115.831 118.667 -2.836 18987 9179 1 15 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.335 -0.178 18987 9180 1 15 . 1 1 110 110 ASP C C 110 178.456 178.456 178.494 -0.038 18987 9181 1 15 . 1 1 110 110 ASP CA C 110 56.910 56.910 56.852 0.058 18987 9182 1 15 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.322 -1.112 18987 9183 1 15 . 1 1 110 110 ASP H H 110 8.654 8.654 8.034 0.620 18987 9184 1 15 . 1 1 111 111 GLN N N 111 119.458 119.458 119.523 -0.065 18987 9185 1 15 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.846 0.235 18987 9186 1 15 . 1 1 111 111 GLN C C 111 179.189 179.189 178.038 1.151 18987 9187 1 15 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.879 -0.739 18987 9188 1 15 . 1 1 111 111 GLN CB C 111 28.850 28.850 27.900 0.950 18987 9189 1 15 . 1 1 111 111 GLN H H 111 6.993 6.993 8.103 -1.110 18987 9190 1 15 . 1 1 112 112 TYR N N 112 124.973 124.973 118.711 6.262 18987 9191 1 15 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.041 -0.114 18987 9192 1 15 . 1 1 112 112 TYR C C 112 178.254 178.254 177.888 0.366 18987 9193 1 15 . 1 1 112 112 TYR CA C 112 62.690 62.690 60.358 2.332 18987 9194 1 15 . 1 1 112 112 TYR CB C 112 36.660 36.660 37.647 -0.987 18987 9195 1 15 . 1 1 112 112 TYR H H 112 8.289 8.289 7.988 0.301 18987 9196 1 15 . 1 1 113 113 LYS N N 113 118.329 118.329 118.797 -0.468 18987 9197 1 15 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.159 -0.246 18987 9198 1 15 . 1 1 113 113 LYS C C 113 178.296 178.296 178.102 0.194 18987 9199 1 15 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.667 1.413 18987 9200 1 15 . 1 1 113 113 LYS CB C 113 32.810 32.810 31.967 0.843 18987 9201 1 15 . 1 1 113 113 LYS H H 113 8.310 8.310 7.950 0.360 18987 9202 1 15 . 1 1 114 114 GLU N N 114 115.605 115.605 118.588 -2.983 18987 9203 1 15 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.207 -0.311 18987 9204 1 15 . 1 1 114 114 GLU C C 114 177.308 177.308 177.797 -0.489 18987 9205 1 15 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.449 -0.139 18987 9206 1 15 . 1 1 114 114 GLU CB C 114 30.140 30.140 29.796 0.344 18987 9207 1 15 . 1 1 114 114 GLU H H 114 7.603 7.603 7.809 -0.206 18987 9208 1 15 . 1 1 115 115 THR N N 115 112.256 112.256 114.857 -2.601 18987 9209 1 15 . 1 1 115 115 THR HA H 115 3.666 3.666 4.158 -0.492 18987 9210 1 15 . 1 1 115 115 THR C C 115 174.672 174.672 175.340 -0.668 18987 9211 1 15 . 1 1 115 115 THR CA C 115 65.710 65.710 65.935 -0.225 18987 9212 1 15 . 1 1 115 115 THR CB C 115 68.700 68.700 68.996 -0.296 18987 9213 1 15 . 1 1 115 115 THR H H 115 7.591 7.591 7.825 -0.234 18987 9214 1 15 . 1 1 116 116 TRP N N 116 116.495 116.495 120.350 -3.855 18987 9215 1 15 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.519 0.784 18987 9216 1 15 . 1 1 116 116 TRP C C 116 176.553 176.553 177.375 -0.822 18987 9217 1 15 . 1 1 116 116 TRP CA C 116 55.620 55.620 58.253 -2.633 18987 9218 1 15 . 1 1 116 116 TRP CB C 116 31.430 31.430 29.843 1.587 18987 9219 1 15 . 1 1 116 116 TRP H H 116 7.661 7.661 7.471 0.190 18987 9220 1 15 . 1 1 117 117 LEU N N 117 116.588 116.588 118.025 -1.437 18987 9221 1 15 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.435 0.167 18987 9222 1 15 . 1 1 117 117 LEU C C 117 175.788 175.788 176.999 -1.211 18987 9223 1 15 . 1 1 117 117 LEU CA C 117 53.860 53.860 54.169 -0.309 18987 9224 1 15 . 1 1 117 117 LEU CB C 117 40.880 40.880 42.178 -1.298 18987 9225 1 15 . 1 1 117 117 LEU H H 117 6.922 6.922 7.656 -0.734 18987 9226 1 16 . 1 1 2 2 ILE N N 2 124.348 124.348 122.248 2.100 18987 9227 1 16 . 1 1 2 2 ILE HA H 2 3.576 3.576 3.976 -0.400 18987 9228 1 16 . 1 1 2 2 ILE C C 2 175.884 175.884 175.929 -0.045 18987 9229 1 16 . 1 1 2 2 ILE CA C 2 62.790 62.790 61.861 0.929 18987 9230 1 16 . 1 1 2 2 ILE CB C 2 40.400 40.400 37.229 3.171 18987 9231 1 16 . 1 1 2 2 ILE H H 2 7.539 7.539 8.135 -0.596 18987 9232 1 16 . 1 1 3 3 LYS N N 3 128.600 128.600 128.479 0.121 18987 9233 1 16 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.177 0.158 18987 9234 1 16 . 1 1 3 3 LYS C C 3 173.322 173.322 175.807 -2.485 18987 9235 1 16 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.600 2.030 18987 9236 1 16 . 1 1 3 3 LYS CB C 3 32.800 32.800 30.576 2.224 18987 9237 1 16 . 1 1 3 3 LYS H H 3 8.524 8.524 8.531 -0.007 18987 9238 1 16 . 1 1 4 4 PHE N N 4 128.560 128.560 127.806 0.754 18987 9239 1 16 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.691 0.144 18987 9240 1 16 . 1 1 4 4 PHE C C 4 172.546 172.546 173.785 -1.239 18987 9241 1 16 . 1 1 4 4 PHE CA C 4 56.570 56.570 55.698 0.872 18987 9242 1 16 . 1 1 4 4 PHE CB C 4 42.600 42.600 38.844 3.756 18987 9243 1 16 . 1 1 4 4 PHE H H 4 8.412 8.412 8.100 0.312 18987 9244 1 16 . 1 1 5 5 TYR N N 5 125.785 125.785 127.523 -1.738 18987 9245 1 16 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.328 -0.202 18987 9246 1 16 . 1 1 5 5 TYR C C 5 175.852 175.852 175.207 0.645 18987 9247 1 16 . 1 1 5 5 TYR CA C 5 57.980 57.980 57.935 0.045 18987 9248 1 16 . 1 1 5 5 TYR CB C 5 38.550 38.550 39.164 -0.615 18987 9249 1 16 . 1 1 5 5 TYR H H 5 9.313 9.313 8.431 0.882 18987 9250 1 16 . 1 1 6 6 GLN N N 6 117.436 117.436 119.422 -1.986 18987 9251 1 16 . 1 1 6 6 GLN HA H 6 4.622 4.622 5.158 -0.536 18987 9252 1 16 . 1 1 6 6 GLN C C 6 171.951 171.951 173.838 -1.887 18987 9253 1 16 . 1 1 6 6 GLN CA C 6 53.430 53.430 53.897 -0.467 18987 9254 1 16 . 1 1 6 6 GLN CB C 6 30.490 30.490 31.748 -1.258 18987 9255 1 16 . 1 1 6 6 GLN H H 6 9.110 9.110 8.647 0.463 18987 9256 1 16 . 1 1 7 7 TYR N N 7 116.309 116.309 119.346 -3.037 18987 9257 1 16 . 1 1 7 7 TYR HA H 7 4.953 4.953 4.700 0.253 18987 9258 1 16 . 1 1 7 7 TYR CA C 7 56.130 56.130 58.217 -2.087 18987 9259 1 16 . 1 1 7 7 TYR CB C 7 42.860 42.860 41.387 1.473 18987 9260 1 16 . 1 1 7 7 TYR H H 7 7.075 7.075 8.306 -1.231 18987 9261 1 16 . 1 1 12 12 THR HA H 12 3.868 3.868 3.946 -0.078 18987 9262 1 16 . 1 1 12 12 THR C C 12 176.203 176.203 176.500 -0.297 18987 9263 1 16 . 1 1 12 12 THR CA C 12 65.930 65.930 66.381 -0.451 18987 9264 1 16 . 1 1 12 12 THR CB C 12 68.630 68.630 68.682 -0.052 18987 9265 1 16 . 1 1 13 13 CYS N N 13 116.721 116.721 119.184 -2.463 18987 9266 1 16 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.156 0.075 18987 9267 1 16 . 1 1 13 13 CYS C C 13 174.938 174.938 176.755 -1.817 18987 9268 1 16 . 1 1 13 13 CYS CA C 13 63.790 63.790 62.711 1.079 18987 9269 1 16 . 1 1 13 13 CYS CB C 13 33.590 33.590 27.137 6.453 18987 9270 1 16 . 1 1 13 13 CYS H H 13 8.441 8.441 8.628 -0.187 18987 9271 1 16 . 1 1 14 14 LYS N N 14 119.429 119.429 120.122 -0.693 18987 9272 1 16 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.097 -0.060 18987 9273 1 16 . 1 1 14 14 LYS C C 14 179.370 179.370 179.405 -0.035 18987 9274 1 16 . 1 1 14 14 LYS CA C 14 59.150 59.150 58.720 0.430 18987 9275 1 16 . 1 1 14 14 LYS CB C 14 32.270 32.270 31.880 0.390 18987 9276 1 16 . 1 1 14 14 LYS H H 14 7.805 7.805 7.813 -0.008 18987 9277 1 16 . 1 1 15 15 LYS N N 15 119.379 119.379 119.069 0.310 18987 9278 1 16 . 1 1 15 15 LYS HA H 15 3.677 3.677 4.128 -0.451 18987 9279 1 16 . 1 1 15 15 LYS C C 15 177.999 177.999 179.269 -1.270 18987 9280 1 16 . 1 1 15 15 LYS CA C 15 59.270 59.270 58.959 0.311 18987 9281 1 16 . 1 1 15 15 LYS CB C 15 32.630 32.630 31.998 0.632 18987 9282 1 16 . 1 1 15 15 LYS H H 15 7.612 7.612 7.484 0.128 18987 9283 1 16 . 1 1 16 16 ALA N N 16 122.940 122.940 121.124 1.816 18987 9284 1 16 . 1 1 16 16 ALA HA H 16 2.906 2.906 4.226 -1.321 18987 9285 1 16 . 1 1 16 16 ALA C C 16 177.999 177.999 179.356 -1.357 18987 9286 1 16 . 1 1 16 16 ALA CA C 16 54.370 54.370 54.871 -0.501 18987 9287 1 16 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.177 1.093 18987 9288 1 16 . 1 1 16 16 ALA H H 16 7.346 7.346 8.513 -1.167 18987 9289 1 16 . 1 1 17 17 ALA N N 17 120.093 120.093 120.491 -0.398 18987 9290 1 16 . 1 1 17 17 ALA HA H 17 2.965 2.965 3.270 -0.305 18987 9291 1 16 . 1 1 17 17 ALA C C 17 178.466 178.466 179.458 -0.992 18987 9292 1 16 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.623 0.247 18987 9293 1 16 . 1 1 17 17 ALA CB C 17 17.270 17.270 18.178 -0.908 18987 9294 1 16 . 1 1 17 17 ALA H H 17 7.959 7.959 7.861 0.098 18987 9295 1 16 . 1 1 18 18 LYS N N 18 115.894 115.894 119.653 -3.759 18987 9296 1 16 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.124 -0.159 18987 9297 1 16 . 1 1 18 18 LYS C C 18 178.647 178.647 178.558 0.089 18987 9298 1 16 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.532 0.378 18987 9299 1 16 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.065 0.115 18987 9300 1 16 . 1 1 18 18 LYS H H 18 7.565 7.565 7.850 -0.285 18987 9301 1 16 . 1 1 19 19 PHE N N 19 120.854 120.854 121.363 -0.509 18987 9302 1 16 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.223 0.016 18987 9303 1 16 . 1 1 19 19 PHE C C 19 176.925 176.925 177.353 -0.428 18987 9304 1 16 . 1 1 19 19 PHE CA C 19 61.730 61.730 61.607 0.123 18987 9305 1 16 . 1 1 19 19 PHE CB C 19 39.140 39.140 38.940 0.200 18987 9306 1 16 . 1 1 19 19 PHE H H 19 7.496 7.496 7.960 -0.464 18987 9307 1 16 . 1 1 20 20 LEU N N 20 118.913 118.913 118.075 0.838 18987 9308 1 16 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.514 0.384 18987 9309 1 16 . 1 1 20 20 LEU C C 20 179.657 179.657 178.161 1.496 18987 9310 1 16 . 1 1 20 20 LEU CA C 20 58.330 58.330 57.470 0.860 18987 9311 1 16 . 1 1 20 20 LEU CB C 20 40.460 40.460 40.657 -0.197 18987 9312 1 16 . 1 1 20 20 LEU H H 20 8.012 8.012 7.765 0.247 18987 9313 1 16 . 1 1 21 21 ASP N N 21 118.448 118.448 118.602 -0.154 18987 9314 1 16 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.459 -0.003 18987 9315 1 16 . 1 1 21 21 ASP C C 21 180.358 180.358 178.555 1.803 18987 9316 1 16 . 1 1 21 21 ASP CA C 21 57.680 57.680 57.136 0.544 18987 9317 1 16 . 1 1 21 21 ASP CB C 21 40.520 40.520 41.021 -0.501 18987 9318 1 16 . 1 1 21 21 ASP H H 21 8.814 8.814 7.928 0.886 18987 9319 1 16 . 1 1 22 22 GLU N N 22 122.661 122.661 119.682 2.979 18987 9320 1 16 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.053 -0.311 18987 9321 1 16 . 1 1 22 22 GLU C C 22 178.371 178.371 178.362 0.009 18987 9322 1 16 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.800 0.441 18987 9323 1 16 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.438 -0.658 18987 9324 1 16 . 1 1 22 22 GLU H H 22 8.544 8.544 7.781 0.763 18987 9325 1 16 . 1 1 23 23 TYR N N 23 114.768 114.768 116.831 -2.063 18987 9326 1 16 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.333 -0.083 18987 9327 1 16 . 1 1 23 23 TYR C C 23 175.724 175.724 176.458 -0.734 18987 9328 1 16 . 1 1 23 23 TYR CA C 23 59.070 59.070 59.282 -0.212 18987 9329 1 16 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.783 0.237 18987 9330 1 16 . 1 1 23 23 TYR H H 23 7.522 7.522 7.738 -0.216 18987 9331 1 16 . 1 1 24 24 GLY N N 24 110.449 110.449 106.783 3.666 18987 9332 1 16 . 1 1 24 24 GLY C C 24 174.534 174.534 174.415 0.119 18987 9333 1 16 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.065 2.055 18987 9334 1 16 . 1 1 24 24 GLY H H 24 7.792 7.792 7.535 0.257 18987 9335 1 16 . 1 1 25 25 VAL N N 25 122.714 122.714 119.174 3.540 18987 9336 1 16 . 1 1 25 25 VAL HA H 25 3.959 3.959 4.076 -0.117 18987 9337 1 16 . 1 1 25 25 VAL C C 25 176.266 176.266 176.397 -0.131 18987 9338 1 16 . 1 1 25 25 VAL CA C 25 62.000 62.000 62.466 -0.466 18987 9339 1 16 . 1 1 25 25 VAL CB C 25 32.480 32.480 32.440 0.040 18987 9340 1 16 . 1 1 25 25 VAL H H 25 8.393 8.393 7.995 0.398 18987 9341 1 16 . 1 1 26 26 SER N N 26 123.498 123.498 122.500 0.998 18987 9342 1 16 . 1 1 26 26 SER HA H 26 4.351 4.351 4.447 -0.096 18987 9343 1 16 . 1 1 26 26 SER C C 26 173.513 173.513 173.561 -0.048 18987 9344 1 16 . 1 1 26 26 SER CA C 26 59.040 59.040 58.772 0.268 18987 9345 1 16 . 1 1 26 26 SER CB C 26 63.530 63.530 61.576 1.954 18987 9346 1 16 . 1 1 26 26 SER H H 26 8.559 8.559 8.525 0.034 18987 9347 1 16 . 1 1 27 27 TYR N N 27 119.756 119.756 121.118 -1.362 18987 9348 1 16 . 1 1 27 27 TYR HA H 27 4.983 4.983 5.161 -0.178 18987 9349 1 16 . 1 1 27 27 TYR C C 27 172.355 172.355 174.088 -1.733 18987 9350 1 16 . 1 1 27 27 TYR CA C 27 55.750 55.750 55.114 0.637 18987 9351 1 16 . 1 1 27 27 TYR CB C 27 40.730 40.730 41.532 -0.802 18987 9352 1 16 . 1 1 27 27 TYR H H 27 7.838 7.838 7.870 -0.032 18987 9353 1 16 . 1 1 28 28 GLU N N 28 123.126 123.126 121.442 1.684 18987 9354 1 16 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.693 0.035 18987 9355 1 16 . 1 1 28 28 GLU CA C 28 51.420 51.420 51.941 -0.521 18987 9356 1 16 . 1 1 28 28 GLU CB C 28 31.790 31.790 31.983 -0.193 18987 9357 1 16 . 1 1 28 28 GLU H H 28 9.006 9.006 9.019 -0.013 18987 9358 1 16 . 1 1 29 29 PRO HA H 29 5.619 5.619 4.878 0.741 18987 9359 1 16 . 1 1 29 29 PRO C C 29 177.276 177.276 176.032 1.244 18987 9360 1 16 . 1 1 29 29 PRO CA C 29 61.820 61.820 62.721 -0.901 18987 9361 1 16 . 1 1 29 29 PRO CB C 29 31.890 31.890 30.826 1.064 18987 9362 1 16 . 1 1 30 30 ILE N N 30 127.043 127.043 119.416 7.627 18987 9363 1 16 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.246 -0.142 18987 9364 1 16 . 1 1 30 30 ILE C C 30 174.948 174.948 174.565 0.383 18987 9365 1 16 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.690 1.670 18987 9366 1 16 . 1 1 30 30 ILE CB C 30 42.210 42.210 40.216 1.994 18987 9367 1 16 . 1 1 30 30 ILE H H 30 9.148 9.148 8.130 1.018 18987 9368 1 16 . 1 1 31 31 ASP N N 31 128.946 128.946 124.780 4.166 18987 9369 1 16 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.201 -0.309 18987 9370 1 16 . 1 1 31 31 ASP C C 31 176.373 176.373 177.342 -0.969 18987 9371 1 16 . 1 1 31 31 ASP CA C 31 54.600 54.600 56.110 -1.510 18987 9372 1 16 . 1 1 31 31 ASP CB C 31 42.920 42.920 41.921 0.999 18987 9373 1 16 . 1 1 31 31 ASP H H 31 9.092 9.092 8.896 0.196 18987 9374 1 16 . 1 1 32 32 ILE N N 32 127.576 127.576 125.755 1.821 18987 9375 1 16 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.168 -0.076 18987 9376 1 16 . 1 1 32 32 ILE C C 32 174.013 174.013 176.348 -2.335 18987 9377 1 16 . 1 1 32 32 ILE CA C 32 62.520 62.520 62.864 -0.344 18987 9378 1 16 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.673 2.077 18987 9379 1 16 . 1 1 32 32 ILE H H 32 9.362 9.362 8.834 0.528 18987 9380 1 16 . 1 1 33 33 VAL N N 33 123.498 123.498 117.255 6.243 18987 9381 1 16 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.936 -0.293 18987 9382 1 16 . 1 1 33 33 VAL C C 33 176.819 176.819 176.747 0.072 18987 9383 1 16 . 1 1 33 33 VAL CA C 33 65.050 65.050 63.107 1.943 18987 9384 1 16 . 1 1 33 33 VAL CB C 33 31.970 31.970 31.243 0.727 18987 9385 1 16 . 1 1 33 33 VAL H H 33 8.445 8.445 7.985 0.460 18987 9386 1 16 . 1 1 34 34 GLN N N 34 119.897 119.897 117.809 2.088 18987 9387 1 16 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.202 -0.249 18987 9388 1 16 . 1 1 34 34 GLN C C 34 176.734 176.734 175.894 0.840 18987 9389 1 16 . 1 1 34 34 GLN CA C 34 57.540 57.540 56.702 0.838 18987 9390 1 16 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.488 0.372 18987 9391 1 16 . 1 1 34 34 GLN H H 34 8.650 8.650 8.255 0.395 18987 9392 1 16 . 1 1 35 35 HIS N N 35 118.090 118.090 117.973 0.117 18987 9393 1 16 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.931 0.033 18987 9394 1 16 . 1 1 35 35 HIS C C 35 173.758 173.758 173.701 0.057 18987 9395 1 16 . 1 1 35 35 HIS CA C 35 53.660 53.660 55.085 -1.425 18987 9396 1 16 . 1 1 35 35 HIS CB C 35 29.190 29.190 30.919 -1.729 18987 9397 1 16 . 1 1 35 35 HIS H H 35 8.178 8.178 7.712 0.466 18987 9398 1 16 . 1 1 36 36 THR N N 36 118.794 118.794 118.736 0.058 18987 9399 1 16 . 1 1 36 36 THR HA H 36 4.142 4.142 4.510 -0.368 18987 9400 1 16 . 1 1 36 36 THR CA C 36 62.080 62.080 62.067 0.013 18987 9401 1 16 . 1 1 36 36 THR CB C 36 70.180 70.180 69.040 1.140 18987 9402 1 16 . 1 1 36 36 THR H H 36 7.468 7.468 7.878 -0.410 18987 9403 1 16 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.341 -0.066 18987 9404 1 16 . 1 1 37 37 PRO C C 37 174.970 174.970 176.689 -1.719 18987 9405 1 16 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.553 0.417 18987 9406 1 16 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.436 -2.006 18987 9407 1 16 . 1 1 38 38 THR N N 38 111.512 111.512 113.140 -1.628 18987 9408 1 16 . 1 1 38 38 THR HA H 38 4.298 4.298 4.392 -0.094 18987 9409 1 16 . 1 1 38 38 THR C C 38 175.756 175.756 176.372 -0.616 18987 9410 1 16 . 1 1 38 38 THR CA C 38 60.700 60.700 60.834 -0.134 18987 9411 1 16 . 1 1 38 38 THR CB C 38 71.560 71.560 70.374 1.186 18987 9412 1 16 . 1 1 38 38 THR H H 38 8.220 8.220 8.002 0.218 18987 9413 1 16 . 1 1 39 39 ILE N N 39 119.950 119.950 121.287 -1.337 18987 9414 1 16 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.861 -0.184 18987 9415 1 16 . 1 1 39 39 ILE C C 39 177.871 177.871 177.822 0.049 18987 9416 1 16 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.214 1.886 18987 9417 1 16 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.743 0.397 18987 9418 1 16 . 1 1 39 39 ILE H H 39 8.763 8.763 8.684 0.079 18987 9419 1 16 . 1 1 40 40 ASN N N 40 116.189 116.189 118.240 -2.051 18987 9420 1 16 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.392 -0.043 18987 9421 1 16 . 1 1 40 40 ASN C C 40 178.445 178.445 177.364 1.081 18987 9422 1 16 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.997 -0.667 18987 9423 1 16 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.765 0.175 18987 9424 1 16 . 1 1 40 40 ASN H H 40 8.180 8.180 8.440 -0.260 18987 9425 1 16 . 1 1 41 41 GLU N N 41 121.970 121.970 120.609 1.361 18987 9426 1 16 . 1 1 41 41 GLU HA H 41 3.915 3.915 4.012 -0.097 18987 9427 1 16 . 1 1 41 41 GLU C C 41 180.093 180.093 178.910 1.183 18987 9428 1 16 . 1 1 41 41 GLU CA C 41 59.590 59.590 59.223 0.367 18987 9429 1 16 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.265 0.485 18987 9430 1 16 . 1 1 41 41 GLU H H 41 7.782 7.782 7.814 -0.032 18987 9431 1 16 . 1 1 42 42 PHE N N 42 118.929 118.929 118.915 0.014 18987 9432 1 16 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.108 0.062 18987 9433 1 16 . 1 1 42 42 PHE C C 42 178.488 178.488 177.625 0.863 18987 9434 1 16 . 1 1 42 42 PHE CA C 42 63.020 63.020 61.935 1.085 18987 9435 1 16 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.648 0.583 18987 9436 1 16 . 1 1 42 42 PHE H H 42 8.776 8.776 8.268 0.508 18987 9437 1 16 . 1 1 43 43 LYS N N 43 118.820 118.820 118.327 0.493 18987 9438 1 16 . 1 1 43 43 LYS HA H 43 3.795 3.795 4.027 -0.232 18987 9439 1 16 . 1 1 43 43 LYS C C 43 179.816 179.816 179.282 0.534 18987 9440 1 16 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.521 1.629 18987 9441 1 16 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.909 0.331 18987 9442 1 16 . 1 1 43 43 LYS H H 43 8.775 8.775 8.222 0.553 18987 9443 1 16 . 1 1 44 44 THR N N 44 118.754 118.754 117.694 1.060 18987 9444 1 16 . 1 1 44 44 THR HA H 44 3.894 3.894 4.049 -0.155 18987 9445 1 16 . 1 1 44 44 THR C C 44 175.214 175.214 176.571 -1.357 18987 9446 1 16 . 1 1 44 44 THR CA C 44 66.900 66.900 66.818 0.082 18987 9447 1 16 . 1 1 44 44 THR CB C 44 68.920 68.920 68.896 0.024 18987 9448 1 16 . 1 1 44 44 THR H H 44 7.959 7.959 7.895 0.064 18987 9449 1 16 . 1 1 45 45 ILE N N 45 122.671 122.671 120.044 2.627 18987 9450 1 16 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.860 -0.053 18987 9451 1 16 . 1 1 45 45 ILE C C 45 180.273 180.273 177.588 2.685 18987 9452 1 16 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.863 1.187 18987 9453 1 16 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.569 1.181 18987 9454 1 16 . 1 1 45 45 ILE H H 45 8.100 8.100 7.846 0.254 18987 9455 1 16 . 1 1 46 46 ILE N N 46 123.392 123.392 121.258 2.134 18987 9456 1 16 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.957 -0.432 18987 9457 1 16 . 1 1 46 46 ILE C C 46 178.509 178.509 178.605 -0.096 18987 9458 1 16 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.716 1.093 18987 9459 1 16 . 1 1 46 46 ILE CB C 46 38.110 38.110 37.845 0.265 18987 9460 1 16 . 1 1 46 46 ILE H H 46 8.778 8.778 8.043 0.735 18987 9461 1 16 . 1 1 47 47 ALA N N 47 123.336 123.336 122.246 1.090 18987 9462 1 16 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.073 -0.025 18987 9463 1 16 . 1 1 47 47 ALA C C 47 180.114 180.114 179.014 1.100 18987 9464 1 16 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.968 -0.068 18987 9465 1 16 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.337 -0.007 18987 9466 1 16 . 1 1 47 47 ALA H H 47 8.232 8.232 7.939 0.293 18987 9467 1 16 . 1 1 48 48 ASN N N 48 114.090 114.090 116.079 -1.989 18987 9468 1 16 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.719 -0.229 18987 9469 1 16 . 1 1 48 48 ASN C C 48 177.776 177.776 177.699 0.077 18987 9470 1 16 . 1 1 48 48 ASN CA C 48 55.070 55.070 54.812 0.258 18987 9471 1 16 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.267 -0.597 18987 9472 1 16 . 1 1 48 48 ASN H H 48 8.464 8.464 8.116 0.348 18987 9473 1 16 . 1 1 49 49 THR N N 49 106.742 106.742 111.574 -4.832 18987 9474 1 16 . 1 1 49 49 THR HA H 49 4.471 4.471 4.493 -0.022 18987 9475 1 16 . 1 1 49 49 THR C C 49 176.968 176.968 176.373 0.595 18987 9476 1 16 . 1 1 49 49 THR CA C 49 62.550 62.550 63.693 -1.143 18987 9477 1 16 . 1 1 49 49 THR CB C 49 72.150 72.150 70.069 2.082 18987 9478 1 16 . 1 1 49 49 THR H H 49 8.035 8.035 8.175 -0.140 18987 9479 1 16 . 1 1 50 50 GLY N N 50 112.246 112.246 112.155 0.091 18987 9480 1 16 . 1 1 50 50 GLY C C 50 174.055 174.055 174.409 -0.354 18987 9481 1 16 . 1 1 50 50 GLY CA C 50 45.940 45.940 45.481 0.459 18987 9482 1 16 . 1 1 50 50 GLY H H 50 8.323 8.323 7.953 0.370 18987 9483 1 16 . 1 1 51 51 VAL N N 51 121.212 121.212 119.149 2.063 18987 9484 1 16 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.138 -0.263 18987 9485 1 16 . 1 1 51 51 VAL C C 51 173.120 173.120 175.772 -2.652 18987 9486 1 16 . 1 1 51 51 VAL CA C 51 61.380 61.380 61.485 -0.105 18987 9487 1 16 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.678 -1.788 18987 9488 1 16 . 1 1 51 51 VAL H H 51 7.429 7.429 7.431 -0.002 18987 9489 1 16 . 1 1 52 52 GLU N N 52 126.158 126.158 125.663 0.495 18987 9490 1 16 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.301 -0.192 18987 9491 1 16 . 1 1 52 52 GLU C C 52 178.190 178.190 176.650 1.540 18987 9492 1 16 . 1 1 52 52 GLU CA C 52 56.240 56.240 57.022 -0.781 18987 9493 1 16 . 1 1 52 52 GLU CB C 52 30.190 30.190 29.900 0.290 18987 9494 1 16 . 1 1 52 52 GLU H H 52 7.881 7.881 8.499 -0.618 18987 9495 1 16 . 1 1 53 53 ILE N N 53 125.807 125.807 125.800 0.007 18987 9496 1 16 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.893 -0.469 18987 9497 1 16 . 1 1 53 53 ILE C C 53 177.425 177.425 177.731 -0.306 18987 9498 1 16 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.399 2.381 18987 9499 1 16 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.321 -0.361 18987 9500 1 16 . 1 1 53 53 ILE H H 53 8.430 8.430 8.702 -0.272 18987 9501 1 16 . 1 1 54 54 ASN N N 54 116.588 116.588 118.922 -2.334 18987 9502 1 16 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.772 -0.316 18987 9503 1 16 . 1 1 54 54 ASN C C 54 178.807 178.807 176.961 1.846 18987 9504 1 16 . 1 1 54 54 ASN CA C 54 55.770 55.770 56.481 -0.711 18987 9505 1 16 . 1 1 54 54 ASN CB C 54 37.140 37.140 38.025 -0.885 18987 9506 1 16 . 1 1 54 54 ASN H H 54 8.585 8.585 8.473 0.112 18987 9507 1 16 . 1 1 55 55 LYS N N 55 117.013 117.013 116.622 0.391 18987 9508 1 16 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.182 -0.080 18987 9509 1 16 . 1 1 55 55 LYS C C 55 176.819 176.819 177.280 -0.461 18987 9510 1 16 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.032 -0.472 18987 9511 1 16 . 1 1 55 55 LYS CB C 55 32.180 32.180 31.666 0.513 18987 9512 1 16 . 1 1 55 55 LYS H H 55 7.661 7.661 8.384 -0.723 18987 9513 1 16 . 1 1 56 56 LEU N N 56 114.768 114.768 119.602 -4.834 18987 9514 1 16 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.309 -0.382 18987 9515 1 16 . 1 1 56 56 LEU C C 56 176.702 176.702 176.438 0.264 18987 9516 1 16 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.601 0.319 18987 9517 1 16 . 1 1 56 56 LEU CB C 56 42.020 42.020 42.041 -0.021 18987 9518 1 16 . 1 1 56 56 LEU H H 56 7.690 7.690 7.285 0.405 18987 9519 1 16 . 1 1 57 57 PHE N N 57 114.558 114.558 117.844 -3.286 18987 9520 1 16 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.824 -0.376 18987 9521 1 16 . 1 1 57 57 PHE C C 57 176.319 176.319 177.116 -0.797 18987 9522 1 16 . 1 1 57 57 PHE CA C 57 58.470 58.470 58.235 0.235 18987 9523 1 16 . 1 1 57 57 PHE CB C 57 40.700 40.700 40.059 0.641 18987 9524 1 16 . 1 1 57 57 PHE H H 57 7.032 7.032 7.659 -0.627 18987 9525 1 16 . 1 1 58 58 ASN N N 58 118.674 118.674 120.517 -1.843 18987 9526 1 16 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.620 -0.134 18987 9527 1 16 . 1 1 58 58 ASN CA C 58 51.540 51.540 53.039 -1.500 18987 9528 1 16 . 1 1 58 58 ASN CB C 58 36.910 36.910 36.854 0.056 18987 9529 1 16 . 1 1 58 58 ASN H H 58 8.659 8.659 8.828 -0.169 18987 9530 1 16 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.265 0.297 18987 9531 1 16 . 1 1 60 60 HIS C C 60 176.309 176.309 174.988 1.321 18987 9532 1 16 . 1 1 60 60 HIS CA C 60 55.920 55.920 56.004 -0.084 18987 9533 1 16 . 1 1 60 60 HIS CB C 60 30.890 30.890 28.494 2.396 18987 9534 1 16 . 1 1 61 61 GLY N N 61 106.925 106.925 108.130 -1.205 18987 9535 1 16 . 1 1 61 61 GLY CA C 61 45.180 45.180 44.554 0.626 18987 9536 1 16 . 1 1 61 61 GLY H H 61 7.284 7.284 8.385 -1.101 18987 9537 1 16 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.126 -0.078 18987 9538 1 16 . 1 1 63 63 LYS C C 63 177.435 177.435 178.754 -1.319 18987 9539 1 16 . 1 1 63 63 LYS CA C 63 58.300 58.300 58.698 -0.398 18987 9540 1 16 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.692 -1.532 18987 9541 1 16 . 1 1 64 64 TYR N N 64 119.737 119.737 120.212 -0.475 18987 9542 1 16 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.128 -0.472 18987 9543 1 16 . 1 1 64 64 TYR C C 64 178.339 178.339 176.730 1.609 18987 9544 1 16 . 1 1 64 64 TYR CA C 64 61.610 61.610 61.974 -0.364 18987 9545 1 16 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.577 0.323 18987 9546 1 16 . 1 1 64 64 TYR H H 64 7.644 7.644 7.992 -0.348 18987 9547 1 16 . 1 1 65 65 ARG N N 65 118.236 118.236 115.761 2.475 18987 9548 1 16 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.305 -0.095 18987 9549 1 16 . 1 1 65 65 ARG C C 65 179.816 179.816 177.664 2.152 18987 9550 1 16 . 1 1 65 65 ARG CA C 65 59.090 59.090 57.070 2.020 18987 9551 1 16 . 1 1 65 65 ARG CB C 65 30.160 30.160 30.378 -0.218 18987 9552 1 16 . 1 1 65 65 ARG H H 65 7.358 7.358 7.496 -0.138 18987 9553 1 16 . 1 1 66 66 GLU N N 66 123.063 123.063 121.406 1.657 18987 9554 1 16 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.148 -0.231 18987 9555 1 16 . 1 1 66 66 GLU C C 66 178.626 178.626 178.020 0.606 18987 9556 1 16 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.813 0.637 18987 9557 1 16 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.631 0.059 18987 9558 1 16 . 1 1 66 66 GLU H H 66 8.789 8.789 7.712 1.077 18987 9559 1 16 . 1 1 67 67 LEU N N 67 115.817 115.817 117.163 -1.346 18987 9560 1 16 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.218 -0.088 18987 9561 1 16 . 1 1 67 67 LEU C C 67 176.171 176.171 176.945 -0.774 18987 9562 1 16 . 1 1 67 67 LEU CA C 67 54.750 54.750 55.227 -0.477 18987 9563 1 16 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.531 -0.511 18987 9564 1 16 . 1 1 67 67 LEU H H 67 7.907 7.907 7.790 0.117 18987 9565 1 16 . 1 1 68 68 ASP N N 68 118.063 118.063 117.254 0.809 18987 9566 1 16 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.276 0.138 18987 9567 1 16 . 1 1 68 68 ASP C C 68 177.521 177.521 176.368 1.153 18987 9568 1 16 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.587 -0.186 18987 9569 1 16 . 1 1 68 68 ASP CB C 68 39.640 39.640 39.420 0.220 18987 9570 1 16 . 1 1 68 68 ASP H H 68 7.878 7.878 7.826 0.052 18987 9571 1 16 . 1 1 69 69 LEU N N 69 115.724 115.724 118.527 -2.803 18987 9572 1 16 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.775 -0.336 18987 9573 1 16 . 1 1 69 69 LEU C C 69 177.584 177.584 177.954 -0.370 18987 9574 1 16 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.241 0.239 18987 9575 1 16 . 1 1 69 69 LEU CB C 69 38.700 38.700 41.305 -2.605 18987 9576 1 16 . 1 1 69 69 LEU H H 69 7.285 7.285 7.644 -0.359 18987 9577 1 16 . 1 1 70 70 LYS N N 70 119.751 119.751 118.311 1.440 18987 9578 1 16 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.570 0.391 18987 9579 1 16 . 1 1 70 70 LYS C C 70 177.903 177.903 178.241 -0.338 18987 9580 1 16 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.562 0.918 18987 9581 1 16 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.399 0.581 18987 9582 1 16 . 1 1 70 70 LYS H H 70 8.601 8.601 7.343 1.258 18987 9583 1 16 . 1 1 71 71 ASN N N 71 113.386 113.386 116.316 -2.930 18987 9584 1 16 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.502 0.224 18987 9585 1 16 . 1 1 71 71 ASN C C 71 176.808 176.808 176.551 0.257 18987 9586 1 16 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.721 -1.351 18987 9587 1 16 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.359 1.601 18987 9588 1 16 . 1 1 71 71 ASN H H 71 6.965 6.965 7.664 -0.699 18987 9589 1 16 . 1 1 72 72 LYS N N 72 118.475 118.475 118.273 0.202 18987 9590 1 16 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.161 -0.012 18987 9591 1 16 . 1 1 72 72 LYS C C 72 178.849 178.849 178.494 0.355 18987 9592 1 16 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.274 -0.354 18987 9593 1 16 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.474 1.556 18987 9594 1 16 . 1 1 72 72 LYS H H 72 8.113 8.113 7.544 0.569 18987 9595 1 16 . 1 1 73 73 LEU N N 73 120.458 120.458 120.734 -0.276 18987 9596 1 16 . 1 1 73 73 LEU HA H 73 3.599 3.599 3.851 -0.252 18987 9597 1 16 . 1 1 73 73 LEU C C 73 178.126 178.126 178.516 -0.390 18987 9598 1 16 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.550 1.280 18987 9599 1 16 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.556 -0.656 18987 9600 1 16 . 1 1 73 73 LEU H H 73 8.549 8.549 8.204 0.345 18987 9601 1 16 . 1 1 74 74 GLN N N 74 112.719 112.719 115.109 -2.390 18987 9602 1 16 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.062 0.116 18987 9603 1 16 . 1 1 74 74 GLN C C 74 176.883 176.883 177.369 -0.486 18987 9604 1 16 . 1 1 74 74 GLN CA C 74 57.250 57.250 58.310 -1.060 18987 9605 1 16 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.582 -0.152 18987 9606 1 16 . 1 1 74 74 GLN H H 74 7.918 7.918 7.981 -0.063 18987 9607 1 16 . 1 1 75 75 THR N N 75 108.336 108.336 112.998 -4.662 18987 9608 1 16 . 1 1 75 75 THR HA H 75 4.410 4.410 4.441 -0.031 18987 9609 1 16 . 1 1 75 75 THR C C 75 174.619 174.619 174.628 -0.009 18987 9610 1 16 . 1 1 75 75 THR CA C 75 61.760 61.760 61.569 0.191 18987 9611 1 16 . 1 1 75 75 THR CB C 75 69.950 69.950 69.848 0.102 18987 9612 1 16 . 1 1 75 75 THR H H 75 7.620 7.620 7.471 0.149 18987 9613 1 16 . 1 1 76 76 LEU N N 76 122.754 122.754 119.812 2.942 18987 9614 1 16 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.630 -0.142 18987 9615 1 16 . 1 1 76 76 LEU C C 76 177.234 177.234 175.903 1.331 18987 9616 1 16 . 1 1 76 76 LEU CA C 76 54.190 54.190 53.620 0.570 18987 9617 1 16 . 1 1 76 76 LEU CB C 76 44.040 44.040 42.505 1.535 18987 9618 1 16 . 1 1 76 76 LEU H H 76 7.191 7.191 7.681 -0.490 18987 9619 1 16 . 1 1 77 77 SER N N 77 119.431 119.431 115.466 3.965 18987 9620 1 16 . 1 1 77 77 SER HA H 77 4.465 4.465 4.486 -0.021 18987 9621 1 16 . 1 1 77 77 SER C C 77 175.320 175.320 175.594 -0.274 18987 9622 1 16 . 1 1 77 77 SER CA C 77 57.360 57.360 58.585 -1.225 18987 9623 1 16 . 1 1 77 77 SER CB C 77 65.080 65.080 64.349 0.731 18987 9624 1 16 . 1 1 77 77 SER H H 77 9.367 9.367 8.279 1.088 18987 9625 1 16 . 1 1 78 78 ASP N N 78 122.766 122.766 124.019 -1.253 18987 9626 1 16 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.368 -0.173 18987 9627 1 16 . 1 1 78 78 ASP C C 78 178.211 178.211 177.752 0.459 18987 9628 1 16 . 1 1 78 78 ASP CA C 78 58.470 58.470 58.013 0.457 18987 9629 1 16 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.916 -1.456 18987 9630 1 16 . 1 1 78 78 ASP H H 78 9.055 9.055 8.917 0.138 18987 9631 1 16 . 1 1 79 79 ASP N N 79 117.917 117.917 119.076 -1.159 18987 9632 1 16 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.409 -0.134 18987 9633 1 16 . 1 1 79 79 ASP C C 79 179.179 179.179 178.008 1.171 18987 9634 1 16 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.161 0.839 18987 9635 1 16 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.845 -0.535 18987 9636 1 16 . 1 1 79 79 ASP H H 79 8.245 8.245 8.751 -0.506 18987 9637 1 16 . 1 1 80 80 GLU N N 80 120.229 120.229 119.376 0.853 18987 9638 1 16 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.285 -0.368 18987 9639 1 16 . 1 1 80 80 GLU C C 80 180.369 180.369 179.017 1.352 18987 9640 1 16 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.962 0.338 18987 9641 1 16 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.628 1.292 18987 9642 1 16 . 1 1 80 80 GLU H H 80 7.732 7.732 7.632 0.100 18987 9643 1 16 . 1 1 81 81 LYS N N 81 120.163 120.163 120.154 0.009 18987 9644 1 16 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.284 -0.438 18987 9645 1 16 . 1 1 81 81 LYS C C 81 177.956 177.956 179.100 -1.144 18987 9646 1 16 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.650 1.290 18987 9647 1 16 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.519 1.101 18987 9648 1 16 . 1 1 81 81 LYS H H 81 8.340 8.340 7.593 0.747 18987 9649 1 16 . 1 1 82 82 LEU N N 82 117.478 117.478 119.107 -1.629 18987 9650 1 16 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.683 -0.010 18987 9651 1 16 . 1 1 82 82 LEU C C 82 178.870 178.870 178.979 -0.109 18987 9652 1 16 . 1 1 82 82 LEU CA C 82 57.770 57.770 58.015 -0.245 18987 9653 1 16 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.552 0.198 18987 9654 1 16 . 1 1 82 82 LEU H H 82 8.161 8.161 7.677 0.484 18987 9655 1 16 . 1 1 83 83 GLU N N 83 119.824 119.824 119.417 0.407 18987 9656 1 16 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.989 -0.249 18987 9657 1 16 . 1 1 83 83 GLU C C 83 179.009 179.009 179.395 -0.386 18987 9658 1 16 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.422 0.057 18987 9659 1 16 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.500 -0.161 18987 9660 1 16 . 1 1 83 83 GLU H H 83 7.999 7.999 7.808 0.191 18987 9661 1 16 . 1 1 84 84 LEU N N 84 119.684 119.684 120.016 -0.332 18987 9662 1 16 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.975 -0.033 18987 9663 1 16 . 1 1 84 84 LEU C C 84 179.264 179.264 179.260 0.004 18987 9664 1 16 . 1 1 84 84 LEU CA C 84 58.090 58.090 57.861 0.229 18987 9665 1 16 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.879 0.431 18987 9666 1 16 . 1 1 84 84 LEU H H 84 7.470 7.470 7.764 -0.294 18987 9667 1 16 . 1 1 85 85 LEU N N 85 119.086 119.086 118.567 0.519 18987 9668 1 16 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.683 -0.299 18987 9669 1 16 . 1 1 85 85 LEU C C 85 176.064 176.064 178.952 -2.888 18987 9670 1 16 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.337 0.524 18987 9671 1 16 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.023 1.337 18987 9672 1 16 . 1 1 85 85 LEU H H 85 7.726 7.726 7.764 -0.038 18987 9673 1 16 . 1 1 86 86 SER N N 86 105.708 105.708 112.002 -6.294 18987 9674 1 16 . 1 1 86 86 SER HA H 86 4.283 4.283 4.708 -0.425 18987 9675 1 16 . 1 1 86 86 SER C C 86 176.351 176.351 176.170 0.181 18987 9676 1 16 . 1 1 86 86 SER CA C 86 60.380 60.380 60.311 0.069 18987 9677 1 16 . 1 1 86 86 SER CB C 86 64.400 64.400 63.222 1.178 18987 9678 1 16 . 1 1 86 86 SER H H 86 7.617 7.617 7.895 -0.278 18987 9679 1 16 . 1 1 87 87 SER N N 87 115.392 115.392 115.159 0.233 18987 9680 1 16 . 1 1 87 87 SER HA H 87 4.345 4.345 4.506 -0.161 18987 9681 1 16 . 1 1 87 87 SER C C 87 174.534 174.534 174.371 0.163 18987 9682 1 16 . 1 1 87 87 SER CA C 87 59.820 59.820 60.222 -0.402 18987 9683 1 16 . 1 1 87 87 SER CB C 87 64.340 64.340 64.216 0.123 18987 9684 1 16 . 1 1 87 87 SER H H 87 7.644 7.644 7.729 -0.085 18987 9685 1 16 . 1 1 88 88 ASP N N 88 120.295 120.295 119.596 0.699 18987 9686 1 16 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.768 -0.164 18987 9687 1 16 . 1 1 88 88 ASP C C 88 175.618 175.618 175.960 -0.342 18987 9688 1 16 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.553 0.457 18987 9689 1 16 . 1 1 88 88 ASP CB C 88 41.020 41.020 43.388 -2.368 18987 9690 1 16 . 1 1 88 88 ASP H H 88 7.104 7.104 7.526 -0.422 18987 9691 1 16 . 1 1 89 89 GLY N N 89 111.841 111.841 111.537 0.304 18987 9692 1 16 . 1 1 89 89 GLY C C 89 176.171 176.171 175.181 0.990 18987 9693 1 16 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.586 1.094 18987 9694 1 16 . 1 1 89 89 GLY H H 89 9.325 9.325 8.838 0.487 18987 9695 1 16 . 1 1 90 90 MET N N 90 117.877 117.877 117.022 0.855 18987 9696 1 16 . 1 1 90 90 MET HA H 90 4.075 4.075 4.405 -0.330 18987 9697 1 16 . 1 1 90 90 MET C C 90 178.456 178.456 177.327 1.129 18987 9698 1 16 . 1 1 90 90 MET CA C 90 56.400 56.400 55.957 0.443 18987 9699 1 16 . 1 1 90 90 MET CB C 90 30.540 30.540 32.199 -1.659 18987 9700 1 16 . 1 1 90 90 MET H H 90 8.593 8.593 7.954 0.639 18987 9701 1 16 . 1 1 91 91 LEU N N 91 118.027 118.027 117.965 0.062 18987 9702 1 16 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.241 0.038 18987 9703 1 16 . 1 1 91 91 LEU C C 91 176.298 176.298 176.784 -0.486 18987 9704 1 16 . 1 1 91 91 LEU CA C 91 55.460 55.460 56.335 -0.875 18987 9705 1 16 . 1 1 91 91 LEU CB C 91 43.130 43.130 42.434 0.696 18987 9706 1 16 . 1 1 91 91 LEU H H 91 8.224 8.224 7.545 0.679 18987 9707 1 16 . 1 1 92 92 VAL N N 92 120.960 120.960 116.910 4.050 18987 9708 1 16 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.228 -0.227 18987 9709 1 16 . 1 1 92 92 VAL C C 92 175.990 175.990 176.201 -0.211 18987 9710 1 16 . 1 1 92 92 VAL CA C 92 61.150 61.150 61.680 -0.530 18987 9711 1 16 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.706 -0.436 18987 9712 1 16 . 1 1 92 92 VAL H H 92 7.093 7.093 7.140 -0.047 18987 9713 1 16 . 1 1 93 93 LYS N N 93 130.687 130.687 125.068 5.619 18987 9714 1 16 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.175 -0.469 18987 9715 1 16 . 1 1 93 93 LYS C C 93 171.855 171.855 176.626 -4.771 18987 9716 1 16 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.307 1.613 18987 9717 1 16 . 1 1 93 93 LYS CB C 93 32.800 32.800 31.715 1.085 18987 9718 1 16 . 1 1 93 93 LYS H H 93 8.442 8.442 8.137 0.305 18987 9719 1 16 . 1 1 94 94 ARG N N 94 115.791 115.791 123.273 -7.482 18987 9720 1 16 . 1 1 94 94 ARG H H 94 7.676 7.676 8.396 -0.720 18987 9721 1 16 . 1 1 95 95 PRO C C 95 175.108 175.108 175.319 -0.211 18987 9722 1 16 . 1 1 96 96 LEU N N 96 128.494 128.494 125.874 2.620 18987 9723 1 16 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.603 -0.622 18987 9724 1 16 . 1 1 96 96 LEU C C 96 173.216 173.216 174.346 -1.130 18987 9725 1 16 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.471 1.399 18987 9726 1 16 . 1 1 96 96 LEU CB C 96 43.660 43.660 47.012 -3.352 18987 9727 1 16 . 1 1 96 96 LEU H H 96 8.246 8.246 8.462 -0.216 18987 9728 1 16 . 1 1 97 97 ALA N N 97 131.035 131.035 126.509 4.526 18987 9729 1 16 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.447 0.423 18987 9730 1 16 . 1 1 97 97 ALA C C 97 174.938 174.938 174.899 0.039 18987 9731 1 16 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.304 -1.454 18987 9732 1 16 . 1 1 97 97 ALA CB C 97 20.070 20.070 22.850 -2.780 18987 9733 1 16 . 1 1 97 97 ALA H H 97 8.839 8.839 9.031 -0.192 18987 9734 1 16 . 1 1 98 98 VAL N N 98 119.830 119.830 123.853 -4.023 18987 9735 1 16 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.437 0.119 18987 9736 1 16 . 1 1 98 98 VAL C C 98 173.896 173.896 173.471 0.425 18987 9737 1 16 . 1 1 98 98 VAL CA C 98 59.270 59.270 59.900 -0.630 18987 9738 1 16 . 1 1 98 98 VAL CB C 98 35.970 35.970 36.487 -0.517 18987 9739 1 16 . 1 1 98 98 VAL H H 98 8.824 8.824 8.679 0.145 18987 9740 1 16 . 1 1 99 99 MET N N 99 127.537 127.537 124.902 2.635 18987 9741 1 16 . 1 1 99 99 MET HA H 99 4.430 4.430 4.941 -0.511 18987 9742 1 16 . 1 1 99 99 MET CA C 99 56.710 56.710 53.872 2.838 18987 9743 1 16 . 1 1 99 99 MET CB C 99 31.050 31.050 36.221 -5.171 18987 9744 1 16 . 1 1 99 99 MET H H 99 8.873 8.873 9.008 -0.135 18987 9745 1 16 . 1 1 100 100 GLY C C 100 173.024 173.024 174.552 -1.528 18987 9746 1 16 . 1 1 100 100 GLY CA C 100 47.970 47.970 47.239 0.731 18987 9747 1 16 . 1 1 101 101 ASP N N 101 124.308 124.308 115.691 8.617 18987 9748 1 16 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.716 -0.517 18987 9749 1 16 . 1 1 101 101 ASP C C 101 175.172 175.172 175.616 -0.444 18987 9750 1 16 . 1 1 101 101 ASP CA C 101 53.310 53.310 53.558 -0.248 18987 9751 1 16 . 1 1 101 101 ASP CB C 101 40.170 40.170 41.732 -1.562 18987 9752 1 16 . 1 1 101 101 ASP H H 101 8.257 8.257 8.584 -0.327 18987 9753 1 16 . 1 1 102 102 LYS N N 102 121.002 121.002 119.944 1.058 18987 9754 1 16 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.653 -0.247 18987 9755 1 16 . 1 1 102 102 LYS C C 102 174.257 174.257 174.501 -0.244 18987 9756 1 16 . 1 1 102 102 LYS CA C 102 55.370 55.370 55.352 0.018 18987 9757 1 16 . 1 1 102 102 LYS CB C 102 36.230 36.230 34.410 1.820 18987 9758 1 16 . 1 1 102 102 LYS H H 102 8.108 8.108 7.948 0.160 18987 9759 1 16 . 1 1 103 103 ILE N N 103 118.488 118.488 120.963 -2.475 18987 9760 1 16 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.210 0.649 18987 9761 1 16 . 1 1 103 103 ILE C C 103 173.652 173.652 174.110 -0.458 18987 9762 1 16 . 1 1 103 103 ILE CA C 103 58.620 58.620 60.159 -1.539 18987 9763 1 16 . 1 1 103 103 ILE CB C 103 42.250 42.250 42.066 0.184 18987 9764 1 16 . 1 1 103 103 ILE H H 103 8.038 8.038 8.274 -0.236 18987 9765 1 16 . 1 1 104 104 THR N N 104 115.441 115.441 118.112 -2.671 18987 9766 1 16 . 1 1 104 104 THR HA H 104 4.524 4.524 4.681 -0.157 18987 9767 1 16 . 1 1 104 104 THR C C 104 173.503 173.503 172.488 1.015 18987 9768 1 16 . 1 1 104 104 THR CA C 104 60.660 60.660 60.851 -0.191 18987 9769 1 16 . 1 1 104 104 THR CB C 104 72.460 72.460 71.489 0.971 18987 9770 1 16 . 1 1 104 104 THR H H 104 9.360 9.360 9.242 0.118 18987 9771 1 16 . 1 1 105 105 LEU N N 105 123.352 123.352 126.258 -2.906 18987 9772 1 16 . 1 1 105 105 LEU HA H 105 5.023 5.023 5.018 0.005 18987 9773 1 16 . 1 1 105 105 LEU C C 105 178.860 178.860 178.133 0.727 18987 9774 1 16 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.660 -1.620 18987 9775 1 16 . 1 1 105 105 LEU CB C 105 44.290 44.290 43.943 0.347 18987 9776 1 16 . 1 1 105 105 LEU H H 105 8.857 8.857 8.381 0.476 18987 9777 1 16 . 1 1 106 106 GLY N N 106 108.363 108.363 113.385 -5.022 18987 9778 1 16 . 1 1 106 106 GLY C C 106 172.100 172.100 173.528 -1.428 18987 9779 1 16 . 1 1 106 106 GLY CA C 106 44.870 44.870 44.911 -0.041 18987 9780 1 16 . 1 1 106 106 GLY H H 106 8.241 8.241 8.538 -0.297 18987 9781 1 16 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.600 0.088 18987 9782 1 16 . 1 1 107 107 PHE CA C 107 58.000 58.000 58.347 -0.347 18987 9783 1 16 . 1 1 107 107 PHE CB C 107 41.620 41.620 38.761 2.859 18987 9784 1 16 . 1 1 108 108 LYS N N 108 129.677 129.677 128.659 1.018 18987 9785 1 16 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.206 -0.304 18987 9786 1 16 . 1 1 108 108 LYS CA C 108 54.650 54.650 54.702 -0.052 18987 9787 1 16 . 1 1 108 108 LYS CB C 108 34.130 34.130 33.055 1.075 18987 9788 1 16 . 1 1 108 108 LYS H H 108 7.351 7.351 7.147 0.204 18987 9789 1 16 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.387 -0.427 18987 9790 1 16 . 1 1 109 109 GLU C C 109 177.255 177.255 177.417 -0.162 18987 9791 1 16 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.459 1.381 18987 9792 1 16 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.262 0.038 18987 9793 1 16 . 1 1 110 110 ASP N N 110 115.831 115.831 118.607 -2.776 18987 9794 1 16 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.298 -0.141 18987 9795 1 16 . 1 1 110 110 ASP C C 110 178.456 178.456 178.433 0.023 18987 9796 1 16 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.316 -0.406 18987 9797 1 16 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.353 -1.143 18987 9798 1 16 . 1 1 110 110 ASP H H 110 8.654 8.654 8.134 0.520 18987 9799 1 16 . 1 1 111 111 GLN N N 111 119.458 119.458 117.373 2.085 18987 9800 1 16 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.944 0.137 18987 9801 1 16 . 1 1 111 111 GLN C C 111 179.189 179.189 178.356 0.833 18987 9802 1 16 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.335 -0.195 18987 9803 1 16 . 1 1 111 111 GLN CB C 111 28.850 28.850 28.063 0.787 18987 9804 1 16 . 1 1 111 111 GLN H H 111 6.993 6.993 8.237 -1.244 18987 9805 1 16 . 1 1 112 112 TYR N N 112 124.973 124.973 119.552 5.421 18987 9806 1 16 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.106 -0.179 18987 9807 1 16 . 1 1 112 112 TYR C C 112 178.254 178.254 177.999 0.255 18987 9808 1 16 . 1 1 112 112 TYR CA C 112 62.690 62.690 60.538 2.152 18987 9809 1 16 . 1 1 112 112 TYR CB C 112 36.660 36.660 37.679 -1.019 18987 9810 1 16 . 1 1 112 112 TYR H H 112 8.289 8.289 8.033 0.256 18987 9811 1 16 . 1 1 113 113 LYS N N 113 118.329 118.329 118.886 -0.557 18987 9812 1 16 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.110 -0.197 18987 9813 1 16 . 1 1 113 113 LYS C C 113 178.296 178.296 179.247 -0.951 18987 9814 1 16 . 1 1 113 113 LYS CA C 113 60.080 60.080 59.008 1.071 18987 9815 1 16 . 1 1 113 113 LYS CB C 113 32.810 32.810 31.783 1.027 18987 9816 1 16 . 1 1 113 113 LYS H H 113 8.310 8.310 8.073 0.237 18987 9817 1 16 . 1 1 114 114 GLU N N 114 115.605 115.605 119.077 -3.472 18987 9818 1 16 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.371 -0.475 18987 9819 1 16 . 1 1 114 114 GLU C C 114 177.308 177.308 178.140 -0.832 18987 9820 1 16 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.328 -0.018 18987 9821 1 16 . 1 1 114 114 GLU CB C 114 30.140 30.140 29.327 0.813 18987 9822 1 16 . 1 1 114 114 GLU H H 114 7.603 7.603 7.968 -0.365 18987 9823 1 16 . 1 1 115 115 THR N N 115 112.256 112.256 114.112 -1.856 18987 9824 1 16 . 1 1 115 115 THR HA H 115 3.666 3.666 4.141 -0.475 18987 9825 1 16 . 1 1 115 115 THR C C 115 174.672 174.672 175.076 -0.404 18987 9826 1 16 . 1 1 115 115 THR CA C 115 65.710 65.710 64.852 0.858 18987 9827 1 16 . 1 1 115 115 THR CB C 115 68.700 68.700 69.023 -0.323 18987 9828 1 16 . 1 1 115 115 THR H H 115 7.591 7.591 7.742 -0.151 18987 9829 1 16 . 1 1 116 116 TRP N N 116 116.495 116.495 119.824 -3.329 18987 9830 1 16 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.635 0.668 18987 9831 1 16 . 1 1 116 116 TRP C C 116 176.553 176.553 176.732 -0.179 18987 9832 1 16 . 1 1 116 116 TRP CA C 116 55.620 55.620 58.273 -2.653 18987 9833 1 16 . 1 1 116 116 TRP CB C 116 31.430 31.430 30.041 1.389 18987 9834 1 16 . 1 1 116 116 TRP H H 116 7.661 7.661 7.752 -0.091 18987 9835 1 16 . 1 1 117 117 LEU N N 117 116.588 116.588 117.784 -1.196 18987 9836 1 16 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.798 -0.196 18987 9837 1 16 . 1 1 117 117 LEU C C 117 175.788 175.788 176.597 -0.809 18987 9838 1 16 . 1 1 117 117 LEU CA C 117 53.860 53.860 54.357 -0.497 18987 9839 1 16 . 1 1 117 117 LEU CB C 117 40.880 40.880 43.139 -2.259 18987 9840 1 16 . 1 1 117 117 LEU H H 117 6.922 6.922 7.405 -0.483 18987 9841 1 17 . 1 1 2 2 ILE N N 2 124.348 124.348 121.688 2.660 18987 9842 1 17 . 1 1 2 2 ILE HA H 2 3.576 3.576 4.032 -0.456 18987 9843 1 17 . 1 1 2 2 ILE C C 2 175.884 175.884 175.984 -0.100 18987 9844 1 17 . 1 1 2 2 ILE CA C 2 62.790 62.790 61.934 0.856 18987 9845 1 17 . 1 1 2 2 ILE CB C 2 40.400 40.400 37.044 3.356 18987 9846 1 17 . 1 1 2 2 ILE H H 2 7.539 7.539 8.144 -0.605 18987 9847 1 17 . 1 1 3 3 LYS N N 3 128.600 128.600 127.987 0.613 18987 9848 1 17 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.102 0.233 18987 9849 1 17 . 1 1 3 3 LYS C C 3 173.322 173.322 175.798 -2.476 18987 9850 1 17 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.990 1.640 18987 9851 1 17 . 1 1 3 3 LYS CB C 3 32.800 32.800 30.531 2.269 18987 9852 1 17 . 1 1 3 3 LYS H H 3 8.524 8.524 8.636 -0.112 18987 9853 1 17 . 1 1 4 4 PHE N N 4 128.560 128.560 127.669 0.891 18987 9854 1 17 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.839 -0.004 18987 9855 1 17 . 1 1 4 4 PHE C C 4 172.546 172.546 174.128 -1.582 18987 9856 1 17 . 1 1 4 4 PHE CA C 4 56.570 56.570 56.004 0.566 18987 9857 1 17 . 1 1 4 4 PHE CB C 4 42.600 42.600 38.919 3.681 18987 9858 1 17 . 1 1 4 4 PHE H H 4 8.412 8.412 8.085 0.327 18987 9859 1 17 . 1 1 5 5 TYR N N 5 125.785 125.785 126.899 -1.114 18987 9860 1 17 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.144 -0.018 18987 9861 1 17 . 1 1 5 5 TYR C C 5 175.852 175.852 175.340 0.512 18987 9862 1 17 . 1 1 5 5 TYR CA C 5 57.980 57.980 58.312 -0.332 18987 9863 1 17 . 1 1 5 5 TYR CB C 5 38.550 38.550 39.250 -0.700 18987 9864 1 17 . 1 1 5 5 TYR H H 5 9.313 9.313 8.386 0.926 18987 9865 1 17 . 1 1 6 6 GLN N N 6 117.436 117.436 118.699 -1.263 18987 9866 1 17 . 1 1 6 6 GLN HA H 6 4.622 4.622 4.811 -0.189 18987 9867 1 17 . 1 1 6 6 GLN C C 6 171.951 171.951 173.488 -1.537 18987 9868 1 17 . 1 1 6 6 GLN CA C 6 53.430 53.430 54.182 -0.752 18987 9869 1 17 . 1 1 6 6 GLN CB C 6 30.490 30.490 33.075 -2.584 18987 9870 1 17 . 1 1 6 6 GLN H H 6 9.110 9.110 8.906 0.204 18987 9871 1 17 . 1 1 7 7 TYR N N 7 116.309 116.309 120.597 -4.288 18987 9872 1 17 . 1 1 7 7 TYR HA H 7 4.953 4.953 4.739 0.214 18987 9873 1 17 . 1 1 7 7 TYR CA C 7 56.130 56.130 58.742 -2.612 18987 9874 1 17 . 1 1 7 7 TYR CB C 7 42.860 42.860 39.512 3.348 18987 9875 1 17 . 1 1 7 7 TYR H H 7 7.075 7.075 8.533 -1.458 18987 9876 1 17 . 1 1 12 12 THR HA H 12 3.868 3.868 3.639 0.229 18987 9877 1 17 . 1 1 12 12 THR C C 12 176.203 176.203 176.218 -0.015 18987 9878 1 17 . 1 1 12 12 THR CA C 12 65.930 65.930 66.361 -0.430 18987 9879 1 17 . 1 1 12 12 THR CB C 12 68.630 68.630 68.512 0.118 18987 9880 1 17 . 1 1 13 13 CYS N N 13 116.721 116.721 120.039 -3.318 18987 9881 1 17 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.301 -0.070 18987 9882 1 17 . 1 1 13 13 CYS C C 13 174.938 174.938 176.647 -1.709 18987 9883 1 17 . 1 1 13 13 CYS CA C 13 63.790 63.790 62.965 0.825 18987 9884 1 17 . 1 1 13 13 CYS CB C 13 33.590 33.590 27.331 6.259 18987 9885 1 17 . 1 1 13 13 CYS H H 13 8.441 8.441 8.445 -0.004 18987 9886 1 17 . 1 1 14 14 LYS N N 14 119.429 119.429 119.753 -0.324 18987 9887 1 17 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.027 0.010 18987 9888 1 17 . 1 1 14 14 LYS C C 14 179.370 179.370 179.194 0.176 18987 9889 1 17 . 1 1 14 14 LYS CA C 14 59.150 59.150 59.201 -0.051 18987 9890 1 17 . 1 1 14 14 LYS CB C 14 32.270 32.270 32.034 0.236 18987 9891 1 17 . 1 1 14 14 LYS H H 14 7.805 7.805 7.872 -0.067 18987 9892 1 17 . 1 1 15 15 LYS N N 15 119.379 119.379 119.246 0.133 18987 9893 1 17 . 1 1 15 15 LYS HA H 15 3.677 3.677 4.132 -0.455 18987 9894 1 17 . 1 1 15 15 LYS C C 15 177.999 177.999 179.119 -1.120 18987 9895 1 17 . 1 1 15 15 LYS CA C 15 59.270 59.270 59.106 0.164 18987 9896 1 17 . 1 1 15 15 LYS CB C 15 32.630 32.630 32.491 0.139 18987 9897 1 17 . 1 1 15 15 LYS H H 15 7.612 7.612 7.846 -0.234 18987 9898 1 17 . 1 1 16 16 ALA N N 16 122.940 122.940 121.634 1.306 18987 9899 1 17 . 1 1 16 16 ALA HA H 16 2.906 2.906 3.892 -0.986 18987 9900 1 17 . 1 1 16 16 ALA C C 16 177.999 177.999 179.129 -1.130 18987 9901 1 17 . 1 1 16 16 ALA CA C 16 54.370 54.370 54.788 -0.418 18987 9902 1 17 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.022 1.248 18987 9903 1 17 . 1 1 16 16 ALA H H 16 7.346 7.346 8.207 -0.861 18987 9904 1 17 . 1 1 17 17 ALA N N 17 120.093 120.093 120.625 -0.532 18987 9905 1 17 . 1 1 17 17 ALA HA H 17 2.965 2.965 2.807 0.158 18987 9906 1 17 . 1 1 17 17 ALA C C 17 178.466 178.466 179.137 -0.671 18987 9907 1 17 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.495 0.375 18987 9908 1 17 . 1 1 17 17 ALA CB C 17 17.270 17.270 17.974 -0.704 18987 9909 1 17 . 1 1 17 17 ALA H H 17 7.959 7.959 7.830 0.129 18987 9910 1 17 . 1 1 18 18 LYS N N 18 115.894 115.894 119.505 -3.611 18987 9911 1 17 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.068 -0.103 18987 9912 1 17 . 1 1 18 18 LYS C C 18 178.647 178.647 178.534 0.113 18987 9913 1 17 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.644 0.266 18987 9914 1 17 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.114 0.066 18987 9915 1 17 . 1 1 18 18 LYS H H 18 7.565 7.565 7.750 -0.185 18987 9916 1 17 . 1 1 19 19 PHE N N 19 120.854 120.854 120.069 0.785 18987 9917 1 17 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.317 -0.078 18987 9918 1 17 . 1 1 19 19 PHE C C 19 176.925 176.925 177.347 -0.422 18987 9919 1 17 . 1 1 19 19 PHE CA C 19 61.730 61.730 60.603 1.127 18987 9920 1 17 . 1 1 19 19 PHE CB C 19 39.140 39.140 39.027 0.113 18987 9921 1 17 . 1 1 19 19 PHE H H 19 7.496 7.496 7.788 -0.292 18987 9922 1 17 . 1 1 20 20 LEU N N 20 118.913 118.913 119.926 -1.013 18987 9923 1 17 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.622 0.276 18987 9924 1 17 . 1 1 20 20 LEU C C 20 179.657 179.657 178.708 0.949 18987 9925 1 17 . 1 1 20 20 LEU CA C 20 58.330 58.330 58.191 0.139 18987 9926 1 17 . 1 1 20 20 LEU CB C 20 40.460 40.460 41.099 -0.639 18987 9927 1 17 . 1 1 20 20 LEU H H 20 8.012 8.012 7.881 0.131 18987 9928 1 17 . 1 1 21 21 ASP N N 21 118.448 118.448 118.150 0.298 18987 9929 1 17 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.421 0.035 18987 9930 1 17 . 1 1 21 21 ASP C C 21 180.358 180.358 178.584 1.774 18987 9931 1 17 . 1 1 21 21 ASP CA C 21 57.680 57.680 57.161 0.519 18987 9932 1 17 . 1 1 21 21 ASP CB C 21 40.520 40.520 41.056 -0.536 18987 9933 1 17 . 1 1 21 21 ASP H H 21 8.814 8.814 8.212 0.602 18987 9934 1 17 . 1 1 22 22 GLU N N 22 122.661 122.661 119.577 3.084 18987 9935 1 17 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.102 -0.360 18987 9936 1 17 . 1 1 22 22 GLU C C 22 178.371 178.371 178.287 0.084 18987 9937 1 17 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.723 0.517 18987 9938 1 17 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.547 -0.767 18987 9939 1 17 . 1 1 22 22 GLU H H 22 8.544 8.544 7.748 0.796 18987 9940 1 17 . 1 1 23 23 TYR N N 23 114.768 114.768 116.836 -2.068 18987 9941 1 17 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.419 -0.169 18987 9942 1 17 . 1 1 23 23 TYR C C 23 175.724 175.724 175.364 0.360 18987 9943 1 17 . 1 1 23 23 TYR CA C 23 59.070 59.070 58.510 0.560 18987 9944 1 17 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.331 0.688 18987 9945 1 17 . 1 1 23 23 TYR H H 23 7.522 7.522 7.783 -0.261 18987 9946 1 17 . 1 1 24 24 GLY N N 24 110.449 110.449 107.830 2.619 18987 9947 1 17 . 1 1 24 24 GLY C C 24 174.534 174.534 174.541 -0.007 18987 9948 1 17 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.513 1.607 18987 9949 1 17 . 1 1 24 24 GLY H H 24 7.792 7.792 7.268 0.524 18987 9950 1 17 . 1 1 25 25 VAL N N 25 122.714 122.714 119.314 3.400 18987 9951 1 17 . 1 1 25 25 VAL HA H 25 3.959 3.959 4.178 -0.219 18987 9952 1 17 . 1 1 25 25 VAL C C 25 176.266 176.266 175.729 0.537 18987 9953 1 17 . 1 1 25 25 VAL CA C 25 62.000 62.000 61.320 0.680 18987 9954 1 17 . 1 1 25 25 VAL CB C 25 32.480 32.480 33.329 -0.849 18987 9955 1 17 . 1 1 25 25 VAL H H 25 8.393 8.393 7.939 0.454 18987 9956 1 17 . 1 1 26 26 SER N N 26 123.498 123.498 123.413 0.085 18987 9957 1 17 . 1 1 26 26 SER HA H 26 4.351 4.351 4.372 -0.021 18987 9958 1 17 . 1 1 26 26 SER C C 26 173.513 173.513 173.392 0.121 18987 9959 1 17 . 1 1 26 26 SER CA C 26 59.040 59.040 59.253 -0.213 18987 9960 1 17 . 1 1 26 26 SER CB C 26 63.530 63.530 62.584 0.946 18987 9961 1 17 . 1 1 26 26 SER H H 26 8.559 8.559 8.648 -0.089 18987 9962 1 17 . 1 1 27 27 TYR N N 27 119.756 119.756 122.595 -2.839 18987 9963 1 17 . 1 1 27 27 TYR HA H 27 4.983 4.983 5.189 -0.206 18987 9964 1 17 . 1 1 27 27 TYR C C 27 172.355 172.355 174.578 -2.223 18987 9965 1 17 . 1 1 27 27 TYR CA C 27 55.750 55.750 54.626 1.124 18987 9966 1 17 . 1 1 27 27 TYR CB C 27 40.730 40.730 41.216 -0.486 18987 9967 1 17 . 1 1 27 27 TYR H H 27 7.838 7.838 7.815 0.023 18987 9968 1 17 . 1 1 28 28 GLU N N 28 123.126 123.126 120.855 2.271 18987 9969 1 17 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.735 -0.007 18987 9970 1 17 . 1 1 28 28 GLU CA C 28 51.420 51.420 52.047 -0.627 18987 9971 1 17 . 1 1 28 28 GLU CB C 28 31.790 31.790 31.852 -0.062 18987 9972 1 17 . 1 1 28 28 GLU H H 28 9.006 9.006 8.978 0.028 18987 9973 1 17 . 1 1 29 29 PRO HA H 29 5.619 5.619 4.875 0.744 18987 9974 1 17 . 1 1 29 29 PRO C C 29 177.276 177.276 176.056 1.220 18987 9975 1 17 . 1 1 29 29 PRO CA C 29 61.820 61.820 63.054 -1.234 18987 9976 1 17 . 1 1 29 29 PRO CB C 29 31.890 31.890 31.003 0.887 18987 9977 1 17 . 1 1 30 30 ILE N N 30 127.043 127.043 119.714 7.329 18987 9978 1 17 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.344 -0.240 18987 9979 1 17 . 1 1 30 30 ILE C C 30 174.948 174.948 174.106 0.842 18987 9980 1 17 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.486 1.874 18987 9981 1 17 . 1 1 30 30 ILE CB C 30 42.210 42.210 41.099 1.111 18987 9982 1 17 . 1 1 30 30 ILE H H 30 9.148 9.148 8.193 0.955 18987 9983 1 17 . 1 1 31 31 ASP N N 31 128.946 128.946 124.085 4.861 18987 9984 1 17 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.238 -0.346 18987 9985 1 17 . 1 1 31 31 ASP C C 31 176.373 176.373 177.471 -1.098 18987 9986 1 17 . 1 1 31 31 ASP CA C 31 54.600 54.600 56.162 -1.562 18987 9987 1 17 . 1 1 31 31 ASP CB C 31 42.920 42.920 41.720 1.200 18987 9988 1 17 . 1 1 31 31 ASP H H 31 9.092 9.092 8.690 0.402 18987 9989 1 17 . 1 1 32 32 ILE N N 32 127.576 127.576 127.080 0.496 18987 9990 1 17 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.157 -0.065 18987 9991 1 17 . 1 1 32 32 ILE C C 32 174.013 174.013 176.096 -2.083 18987 9992 1 17 . 1 1 32 32 ILE CA C 32 62.520 62.520 63.294 -0.774 18987 9993 1 17 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.627 2.123 18987 9994 1 17 . 1 1 32 32 ILE H H 32 9.362 9.362 8.769 0.593 18987 9995 1 17 . 1 1 33 33 VAL N N 33 123.498 123.498 117.922 5.576 18987 9996 1 17 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.885 -0.242 18987 9997 1 17 . 1 1 33 33 VAL C C 33 176.819 176.819 177.690 -0.871 18987 9998 1 17 . 1 1 33 33 VAL CA C 33 65.050 65.050 63.592 1.458 18987 9999 1 17 . 1 1 33 33 VAL CB C 33 31.970 31.970 31.275 0.695 18987 10000 1 17 . 1 1 33 33 VAL H H 33 8.445 8.445 7.902 0.543 18987 10001 1 17 . 1 1 34 34 GLN N N 34 119.897 119.897 119.047 0.850 18987 10002 1 17 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.095 -0.142 18987 10003 1 17 . 1 1 34 34 GLN C C 34 176.734 176.734 176.298 0.436 18987 10004 1 17 . 1 1 34 34 GLN CA C 34 57.540 57.540 57.966 -0.426 18987 10005 1 17 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.218 0.642 18987 10006 1 17 . 1 1 34 34 GLN H H 34 8.650 8.650 8.311 0.339 18987 10007 1 17 . 1 1 35 35 HIS N N 35 118.090 118.090 117.559 0.531 18987 10008 1 17 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.901 0.063 18987 10009 1 17 . 1 1 35 35 HIS C C 35 173.758 173.758 173.902 -0.144 18987 10010 1 17 . 1 1 35 35 HIS CA C 35 53.660 53.660 54.272 -0.612 18987 10011 1 17 . 1 1 35 35 HIS CB C 35 29.190 29.190 29.745 -0.555 18987 10012 1 17 . 1 1 35 35 HIS H H 35 8.178 8.178 7.802 0.376 18987 10013 1 17 . 1 1 36 36 THR N N 36 118.794 118.794 118.811 -0.017 18987 10014 1 17 . 1 1 36 36 THR HA H 36 4.142 4.142 4.534 -0.392 18987 10015 1 17 . 1 1 36 36 THR CA C 36 62.080 62.080 62.133 -0.053 18987 10016 1 17 . 1 1 36 36 THR CB C 36 70.180 70.180 69.069 1.111 18987 10017 1 17 . 1 1 36 36 THR H H 36 7.468 7.468 7.675 -0.207 18987 10018 1 17 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.498 -0.223 18987 10019 1 17 . 1 1 37 37 PRO C C 37 174.970 174.970 176.468 -1.498 18987 10020 1 17 . 1 1 37 37 PRO CA C 37 62.970 62.970 61.978 0.992 18987 10021 1 17 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.964 -2.534 18987 10022 1 17 . 1 1 38 38 THR N N 38 111.512 111.512 111.427 0.085 18987 10023 1 17 . 1 1 38 38 THR HA H 38 4.298 4.298 4.412 -0.114 18987 10024 1 17 . 1 1 38 38 THR C C 38 175.756 175.756 176.477 -0.721 18987 10025 1 17 . 1 1 38 38 THR CA C 38 60.700 60.700 61.973 -1.273 18987 10026 1 17 . 1 1 38 38 THR CB C 38 71.560 71.560 70.067 1.493 18987 10027 1 17 . 1 1 38 38 THR H H 38 8.220 8.220 8.021 0.199 18987 10028 1 17 . 1 1 39 39 ILE N N 39 119.950 119.950 121.617 -1.667 18987 10029 1 17 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.884 -0.207 18987 10030 1 17 . 1 1 39 39 ILE C C 39 177.871 177.871 177.756 0.115 18987 10031 1 17 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.307 1.793 18987 10032 1 17 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.589 0.551 18987 10033 1 17 . 1 1 39 39 ILE H H 39 8.763 8.763 8.683 0.080 18987 10034 1 17 . 1 1 40 40 ASN N N 40 116.189 116.189 117.808 -1.619 18987 10035 1 17 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.440 -0.091 18987 10036 1 17 . 1 1 40 40 ASN C C 40 178.445 178.445 177.557 0.888 18987 10037 1 17 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.391 -0.061 18987 10038 1 17 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.435 0.505 18987 10039 1 17 . 1 1 40 40 ASN H H 40 8.180 8.180 8.539 -0.359 18987 10040 1 17 . 1 1 41 41 GLU N N 41 121.970 121.970 120.637 1.333 18987 10041 1 17 . 1 1 41 41 GLU HA H 41 3.915 3.915 4.059 -0.143 18987 10042 1 17 . 1 1 41 41 GLU C C 41 180.093 180.093 178.823 1.270 18987 10043 1 17 . 1 1 41 41 GLU CA C 41 59.590 59.590 58.983 0.606 18987 10044 1 17 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.183 0.567 18987 10045 1 17 . 1 1 41 41 GLU H H 41 7.782 7.782 7.528 0.254 18987 10046 1 17 . 1 1 42 42 PHE N N 42 118.929 118.929 119.018 -0.089 18987 10047 1 17 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.106 0.064 18987 10048 1 17 . 1 1 42 42 PHE C C 42 178.488 178.488 177.630 0.858 18987 10049 1 17 . 1 1 42 42 PHE CA C 42 63.020 63.020 61.980 1.040 18987 10050 1 17 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.623 0.607 18987 10051 1 17 . 1 1 42 42 PHE H H 42 8.776 8.776 8.098 0.678 18987 10052 1 17 . 1 1 43 43 LYS N N 43 118.820 118.820 118.269 0.551 18987 10053 1 17 . 1 1 43 43 LYS HA H 43 3.795 3.795 4.013 -0.218 18987 10054 1 17 . 1 1 43 43 LYS C C 43 179.816 179.816 179.111 0.705 18987 10055 1 17 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.558 1.592 18987 10056 1 17 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.942 0.298 18987 10057 1 17 . 1 1 43 43 LYS H H 43 8.775 8.775 8.242 0.533 18987 10058 1 17 . 1 1 44 44 THR N N 44 118.754 118.754 117.702 1.052 18987 10059 1 17 . 1 1 44 44 THR HA H 44 3.894 3.894 4.021 -0.127 18987 10060 1 17 . 1 1 44 44 THR C C 44 175.214 175.214 176.531 -1.317 18987 10061 1 17 . 1 1 44 44 THR CA C 44 66.900 66.900 67.186 -0.286 18987 10062 1 17 . 1 1 44 44 THR CB C 44 68.920 68.920 68.655 0.265 18987 10063 1 17 . 1 1 44 44 THR H H 44 7.959 7.959 7.865 0.094 18987 10064 1 17 . 1 1 45 45 ILE N N 45 122.671 122.671 119.396 3.275 18987 10065 1 17 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.906 -0.099 18987 10066 1 17 . 1 1 45 45 ILE C C 45 180.273 180.273 177.674 2.599 18987 10067 1 17 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.666 1.384 18987 10068 1 17 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.408 1.342 18987 10069 1 17 . 1 1 45 45 ILE H H 45 8.100 8.100 7.863 0.237 18987 10070 1 17 . 1 1 46 46 ILE N N 46 123.392 123.392 121.601 1.791 18987 10071 1 17 . 1 1 46 46 ILE HA H 46 3.525 3.525 4.060 -0.535 18987 10072 1 17 . 1 1 46 46 ILE C C 46 178.509 178.509 178.378 0.131 18987 10073 1 17 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.458 1.352 18987 10074 1 17 . 1 1 46 46 ILE CB C 46 38.110 38.110 38.045 0.065 18987 10075 1 17 . 1 1 46 46 ILE H H 46 8.778 8.778 7.995 0.783 18987 10076 1 17 . 1 1 47 47 ALA N N 47 123.336 123.336 121.940 1.396 18987 10077 1 17 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.143 -0.095 18987 10078 1 17 . 1 1 47 47 ALA C C 47 180.114 180.114 178.686 1.428 18987 10079 1 17 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.664 0.236 18987 10080 1 17 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.248 0.082 18987 10081 1 17 . 1 1 47 47 ALA H H 47 8.232 8.232 7.966 0.266 18987 10082 1 17 . 1 1 48 48 ASN N N 48 114.090 114.090 116.546 -2.456 18987 10083 1 17 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.661 -0.171 18987 10084 1 17 . 1 1 48 48 ASN C C 48 177.776 177.776 177.622 0.154 18987 10085 1 17 . 1 1 48 48 ASN CA C 48 55.070 55.070 54.868 0.202 18987 10086 1 17 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.398 -0.729 18987 10087 1 17 . 1 1 48 48 ASN H H 48 8.464 8.464 8.210 0.254 18987 10088 1 17 . 1 1 49 49 THR N N 49 106.742 106.742 110.505 -3.763 18987 10089 1 17 . 1 1 49 49 THR HA H 49 4.471 4.471 4.467 0.004 18987 10090 1 17 . 1 1 49 49 THR C C 49 176.968 176.968 176.141 0.827 18987 10091 1 17 . 1 1 49 49 THR CA C 49 62.550 62.550 63.266 -0.716 18987 10092 1 17 . 1 1 49 49 THR CB C 49 72.150 72.150 70.278 1.872 18987 10093 1 17 . 1 1 49 49 THR H H 49 8.035 8.035 7.962 0.073 18987 10094 1 17 . 1 1 50 50 GLY N N 50 112.246 112.246 111.719 0.527 18987 10095 1 17 . 1 1 50 50 GLY C C 50 174.055 174.055 174.704 -0.649 18987 10096 1 17 . 1 1 50 50 GLY CA C 50 45.940 45.940 45.219 0.721 18987 10097 1 17 . 1 1 50 50 GLY H H 50 8.323 8.323 7.885 0.438 18987 10098 1 17 . 1 1 51 51 VAL N N 51 121.212 121.212 119.719 1.493 18987 10099 1 17 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.213 -0.338 18987 10100 1 17 . 1 1 51 51 VAL C C 51 173.120 173.120 175.826 -2.706 18987 10101 1 17 . 1 1 51 51 VAL CA C 51 61.380 61.380 61.133 0.247 18987 10102 1 17 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.743 -1.853 18987 10103 1 17 . 1 1 51 51 VAL H H 51 7.429 7.429 7.592 -0.163 18987 10104 1 17 . 1 1 52 52 GLU N N 52 126.158 126.158 125.656 0.502 18987 10105 1 17 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.286 -0.177 18987 10106 1 17 . 1 1 52 52 GLU C C 52 178.190 178.190 176.728 1.462 18987 10107 1 17 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.327 -0.087 18987 10108 1 17 . 1 1 52 52 GLU CB C 52 30.190 30.190 30.231 -0.041 18987 10109 1 17 . 1 1 52 52 GLU H H 52 7.881 7.881 8.489 -0.608 18987 10110 1 17 . 1 1 53 53 ILE N N 53 125.807 125.807 127.919 -2.112 18987 10111 1 17 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.816 -0.392 18987 10112 1 17 . 1 1 53 53 ILE C C 53 177.425 177.425 177.141 0.284 18987 10113 1 17 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.331 2.449 18987 10114 1 17 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.006 -0.046 18987 10115 1 17 . 1 1 53 53 ILE H H 53 8.430 8.430 8.912 -0.482 18987 10116 1 17 . 1 1 54 54 ASN N N 54 116.588 116.588 117.995 -1.407 18987 10117 1 17 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.686 -0.230 18987 10118 1 17 . 1 1 54 54 ASN C C 54 178.807 178.807 177.363 1.444 18987 10119 1 17 . 1 1 54 54 ASN CA C 54 55.770 55.770 56.736 -0.966 18987 10120 1 17 . 1 1 54 54 ASN CB C 54 37.140 37.140 38.286 -1.146 18987 10121 1 17 . 1 1 54 54 ASN H H 54 8.585 8.585 8.582 0.003 18987 10122 1 17 . 1 1 55 55 LYS N N 55 117.013 117.013 116.962 0.051 18987 10123 1 17 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.139 -0.037 18987 10124 1 17 . 1 1 55 55 LYS C C 55 176.819 176.819 177.319 -0.500 18987 10125 1 17 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.051 -0.491 18987 10126 1 17 . 1 1 55 55 LYS CB C 55 32.180 32.180 31.591 0.589 18987 10127 1 17 . 1 1 55 55 LYS H H 55 7.661 7.661 7.832 -0.171 18987 10128 1 17 . 1 1 56 56 LEU N N 56 114.768 114.768 118.806 -4.038 18987 10129 1 17 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.215 -0.288 18987 10130 1 17 . 1 1 56 56 LEU C C 56 176.702 176.702 176.987 -0.285 18987 10131 1 17 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.711 0.209 18987 10132 1 17 . 1 1 56 56 LEU CB C 56 42.020 42.020 41.872 0.148 18987 10133 1 17 . 1 1 56 56 LEU H H 56 7.690 7.690 7.184 0.506 18987 10134 1 17 . 1 1 57 57 PHE N N 57 114.558 114.558 117.442 -2.884 18987 10135 1 17 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.525 -0.077 18987 10136 1 17 . 1 1 57 57 PHE C C 57 176.319 176.319 178.006 -1.687 18987 10137 1 17 . 1 1 57 57 PHE CA C 57 58.470 58.470 59.423 -0.953 18987 10138 1 17 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.158 1.542 18987 10139 1 17 . 1 1 57 57 PHE H H 57 7.032 7.032 7.630 -0.598 18987 10140 1 17 . 1 1 58 58 ASN N N 58 118.674 118.674 120.893 -2.219 18987 10141 1 17 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.581 -0.095 18987 10142 1 17 . 1 1 58 58 ASN CA C 58 51.540 51.540 53.074 -1.534 18987 10143 1 17 . 1 1 58 58 ASN CB C 58 36.910 36.910 37.616 -0.706 18987 10144 1 17 . 1 1 58 58 ASN H H 58 8.659 8.659 8.594 0.065 18987 10145 1 17 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.599 -0.037 18987 10146 1 17 . 1 1 60 60 HIS C C 60 176.309 176.309 175.544 0.765 18987 10147 1 17 . 1 1 60 60 HIS CA C 60 55.920 55.920 55.842 0.078 18987 10148 1 17 . 1 1 60 60 HIS CB C 60 30.890 30.890 27.863 3.027 18987 10149 1 17 . 1 1 61 61 GLY N N 61 106.925 106.925 108.131 -1.206 18987 10150 1 17 . 1 1 61 61 GLY CA C 61 45.180 45.180 44.502 0.678 18987 10151 1 17 . 1 1 61 61 GLY H H 61 7.284 7.284 7.836 -0.552 18987 10152 1 17 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.034 0.014 18987 10153 1 17 . 1 1 63 63 LYS C C 63 177.435 177.435 178.136 -0.701 18987 10154 1 17 . 1 1 63 63 LYS CA C 63 58.300 58.300 59.186 -0.886 18987 10155 1 17 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.562 -1.402 18987 10156 1 17 . 1 1 64 64 TYR N N 64 119.737 119.737 119.599 0.138 18987 10157 1 17 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.061 -0.405 18987 10158 1 17 . 1 1 64 64 TYR C C 64 178.339 178.339 176.788 1.551 18987 10159 1 17 . 1 1 64 64 TYR CA C 64 61.610 61.610 61.116 0.494 18987 10160 1 17 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.288 0.612 18987 10161 1 17 . 1 1 64 64 TYR H H 64 7.644 7.644 8.332 -0.688 18987 10162 1 17 . 1 1 65 65 ARG N N 65 118.236 118.236 116.772 1.464 18987 10163 1 17 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.128 0.082 18987 10164 1 17 . 1 1 65 65 ARG C C 65 179.816 179.816 177.770 2.046 18987 10165 1 17 . 1 1 65 65 ARG CA C 65 59.090 59.090 57.223 1.867 18987 10166 1 17 . 1 1 65 65 ARG CB C 65 30.160 30.160 29.564 0.596 18987 10167 1 17 . 1 1 65 65 ARG H H 65 7.358 7.358 7.522 -0.164 18987 10168 1 17 . 1 1 66 66 GLU N N 66 123.063 123.063 120.564 2.499 18987 10169 1 17 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.144 -0.227 18987 10170 1 17 . 1 1 66 66 GLU C C 66 178.626 178.626 178.061 0.565 18987 10171 1 17 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.735 0.715 18987 10172 1 17 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.682 0.008 18987 10173 1 17 . 1 1 66 66 GLU H H 66 8.789 8.789 7.676 1.113 18987 10174 1 17 . 1 1 67 67 LEU N N 67 115.817 115.817 116.836 -1.019 18987 10175 1 17 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.247 -0.117 18987 10176 1 17 . 1 1 67 67 LEU C C 67 176.171 176.171 176.978 -0.807 18987 10177 1 17 . 1 1 67 67 LEU CA C 67 54.750 54.750 55.336 -0.585 18987 10178 1 17 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.597 -0.577 18987 10179 1 17 . 1 1 67 67 LEU H H 67 7.907 7.907 8.024 -0.117 18987 10180 1 17 . 1 1 68 68 ASP N N 68 118.063 118.063 117.337 0.726 18987 10181 1 17 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.205 0.209 18987 10182 1 17 . 1 1 68 68 ASP C C 68 177.521 177.521 176.292 1.229 18987 10183 1 17 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.610 -0.210 18987 10184 1 17 . 1 1 68 68 ASP CB C 68 39.640 39.640 39.396 0.244 18987 10185 1 17 . 1 1 68 68 ASP H H 68 7.878 7.878 7.777 0.101 18987 10186 1 17 . 1 1 69 69 LEU N N 69 115.724 115.724 118.861 -3.137 18987 10187 1 17 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.791 -0.352 18987 10188 1 17 . 1 1 69 69 LEU C C 69 177.584 177.584 177.977 -0.393 18987 10189 1 17 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.688 -0.208 18987 10190 1 17 . 1 1 69 69 LEU CB C 69 38.700 38.700 41.421 -2.721 18987 10191 1 17 . 1 1 69 69 LEU H H 69 7.285 7.285 7.547 -0.262 18987 10192 1 17 . 1 1 70 70 LYS N N 70 119.751 119.751 118.041 1.710 18987 10193 1 17 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.595 0.366 18987 10194 1 17 . 1 1 70 70 LYS C C 70 177.903 177.903 178.305 -0.402 18987 10195 1 17 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.814 0.666 18987 10196 1 17 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.420 0.560 18987 10197 1 17 . 1 1 70 70 LYS H H 70 8.601 8.601 7.504 1.097 18987 10198 1 17 . 1 1 71 71 ASN N N 71 113.386 113.386 115.023 -1.637 18987 10199 1 17 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.405 0.321 18987 10200 1 17 . 1 1 71 71 ASN C C 71 176.808 176.808 176.639 0.169 18987 10201 1 17 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.626 -1.256 18987 10202 1 17 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.142 1.818 18987 10203 1 17 . 1 1 71 71 ASN H H 71 6.965 6.965 8.486 -1.521 18987 10204 1 17 . 1 1 72 72 LYS N N 72 118.475 118.475 118.590 -0.115 18987 10205 1 17 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.206 -0.057 18987 10206 1 17 . 1 1 72 72 LYS C C 72 178.849 178.849 178.406 0.443 18987 10207 1 17 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.261 -0.341 18987 10208 1 17 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.517 1.513 18987 10209 1 17 . 1 1 72 72 LYS H H 72 8.113 8.113 7.520 0.593 18987 10210 1 17 . 1 1 73 73 LEU N N 73 120.458 120.458 120.853 -0.395 18987 10211 1 17 . 1 1 73 73 LEU HA H 73 3.599 3.599 3.930 -0.331 18987 10212 1 17 . 1 1 73 73 LEU C C 73 178.126 178.126 178.574 -0.448 18987 10213 1 17 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.606 1.224 18987 10214 1 17 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.614 -0.714 18987 10215 1 17 . 1 1 73 73 LEU H H 73 8.549 8.549 8.226 0.323 18987 10216 1 17 . 1 1 74 74 GLN N N 74 112.719 112.719 114.924 -2.205 18987 10217 1 17 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.059 0.119 18987 10218 1 17 . 1 1 74 74 GLN C C 74 176.883 176.883 177.218 -0.335 18987 10219 1 17 . 1 1 74 74 GLN CA C 74 57.250 57.250 58.165 -0.915 18987 10220 1 17 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.404 0.026 18987 10221 1 17 . 1 1 74 74 GLN H H 74 7.918 7.918 7.771 0.147 18987 10222 1 17 . 1 1 75 75 THR N N 75 108.336 108.336 113.935 -5.599 18987 10223 1 17 . 1 1 75 75 THR HA H 75 4.410 4.410 4.508 -0.098 18987 10224 1 17 . 1 1 75 75 THR C C 75 174.619 174.619 175.002 -0.383 18987 10225 1 17 . 1 1 75 75 THR CA C 75 61.760 61.760 62.662 -0.902 18987 10226 1 17 . 1 1 75 75 THR CB C 75 69.950 69.950 70.289 -0.339 18987 10227 1 17 . 1 1 75 75 THR H H 75 7.620 7.620 7.472 0.148 18987 10228 1 17 . 1 1 76 76 LEU N N 76 122.754 122.754 118.801 3.953 18987 10229 1 17 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.722 -0.234 18987 10230 1 17 . 1 1 76 76 LEU C C 76 177.234 177.234 175.960 1.274 18987 10231 1 17 . 1 1 76 76 LEU CA C 76 54.190 54.190 52.924 1.266 18987 10232 1 17 . 1 1 76 76 LEU CB C 76 44.040 44.040 42.938 1.103 18987 10233 1 17 . 1 1 76 76 LEU H H 76 7.191 7.191 7.636 -0.445 18987 10234 1 17 . 1 1 77 77 SER N N 77 119.431 119.431 114.179 5.252 18987 10235 1 17 . 1 1 77 77 SER HA H 77 4.465 4.465 4.521 -0.056 18987 10236 1 17 . 1 1 77 77 SER C C 77 175.320 175.320 175.256 0.064 18987 10237 1 17 . 1 1 77 77 SER CA C 77 57.360 57.360 57.836 -0.476 18987 10238 1 17 . 1 1 77 77 SER CB C 77 65.080 65.080 64.089 0.991 18987 10239 1 17 . 1 1 77 77 SER H H 77 9.367 9.367 8.354 1.013 18987 10240 1 17 . 1 1 78 78 ASP N N 78 122.766 122.766 122.451 0.315 18987 10241 1 17 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.412 -0.217 18987 10242 1 17 . 1 1 78 78 ASP C C 78 178.211 178.211 178.320 -0.109 18987 10243 1 17 . 1 1 78 78 ASP CA C 78 58.470 58.470 57.849 0.621 18987 10244 1 17 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.638 -1.178 18987 10245 1 17 . 1 1 78 78 ASP H H 78 9.055 9.055 8.893 0.162 18987 10246 1 17 . 1 1 79 79 ASP N N 79 117.917 117.917 118.856 -0.939 18987 10247 1 17 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.374 -0.099 18987 10248 1 17 . 1 1 79 79 ASP C C 79 179.179 179.179 178.050 1.129 18987 10249 1 17 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.498 0.502 18987 10250 1 17 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.855 -0.544 18987 10251 1 17 . 1 1 79 79 ASP H H 79 8.245 8.245 8.818 -0.573 18987 10252 1 17 . 1 1 80 80 GLU N N 80 120.229 120.229 118.847 1.382 18987 10253 1 17 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.345 -0.428 18987 10254 1 17 . 1 1 80 80 GLU C C 80 180.369 180.369 178.950 1.419 18987 10255 1 17 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.605 0.695 18987 10256 1 17 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.777 1.143 18987 10257 1 17 . 1 1 80 80 GLU H H 80 7.732 7.732 7.643 0.089 18987 10258 1 17 . 1 1 81 81 LYS N N 81 120.163 120.163 120.501 -0.338 18987 10259 1 17 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.283 -0.437 18987 10260 1 17 . 1 1 81 81 LYS C C 81 177.956 177.956 179.151 -1.195 18987 10261 1 17 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.621 1.319 18987 10262 1 17 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.524 1.096 18987 10263 1 17 . 1 1 81 81 LYS H H 81 8.340 8.340 7.586 0.754 18987 10264 1 17 . 1 1 82 82 LEU N N 82 117.478 117.478 119.398 -1.920 18987 10265 1 17 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.623 0.050 18987 10266 1 17 . 1 1 82 82 LEU C C 82 178.870 178.870 178.657 0.213 18987 10267 1 17 . 1 1 82 82 LEU CA C 82 57.770 57.770 58.030 -0.260 18987 10268 1 17 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.551 0.199 18987 10269 1 17 . 1 1 82 82 LEU H H 82 8.161 8.161 7.928 0.233 18987 10270 1 17 . 1 1 83 83 GLU N N 83 119.824 119.824 119.219 0.605 18987 10271 1 17 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.927 -0.187 18987 10272 1 17 . 1 1 83 83 GLU C C 83 179.009 179.009 179.285 -0.276 18987 10273 1 17 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.524 -0.044 18987 10274 1 17 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.455 -0.115 18987 10275 1 17 . 1 1 83 83 GLU H H 83 7.999 7.999 7.790 0.209 18987 10276 1 17 . 1 1 84 84 LEU N N 84 119.684 119.684 119.901 -0.217 18987 10277 1 17 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.981 -0.039 18987 10278 1 17 . 1 1 84 84 LEU C C 84 179.264 179.264 179.106 0.158 18987 10279 1 17 . 1 1 84 84 LEU CA C 84 58.090 58.090 57.779 0.311 18987 10280 1 17 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.843 0.467 18987 10281 1 17 . 1 1 84 84 LEU H H 84 7.470 7.470 7.715 -0.245 18987 10282 1 17 . 1 1 85 85 LEU N N 85 119.086 119.086 118.464 0.622 18987 10283 1 17 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.690 -0.306 18987 10284 1 17 . 1 1 85 85 LEU C C 85 176.064 176.064 179.031 -2.967 18987 10285 1 17 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.187 0.673 18987 10286 1 17 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.005 1.355 18987 10287 1 17 . 1 1 85 85 LEU H H 85 7.726 7.726 7.634 0.092 18987 10288 1 17 . 1 1 86 86 SER N N 86 105.708 105.708 113.143 -7.435 18987 10289 1 17 . 1 1 86 86 SER HA H 86 4.283 4.283 4.609 -0.326 18987 10290 1 17 . 1 1 86 86 SER C C 86 176.351 176.351 175.889 0.462 18987 10291 1 17 . 1 1 86 86 SER CA C 86 60.380 60.380 60.450 -0.070 18987 10292 1 17 . 1 1 86 86 SER CB C 86 64.400 64.400 63.478 0.922 18987 10293 1 17 . 1 1 86 86 SER H H 86 7.617 7.617 8.042 -0.425 18987 10294 1 17 . 1 1 87 87 SER N N 87 115.392 115.392 115.220 0.172 18987 10295 1 17 . 1 1 87 87 SER HA H 87 4.345 4.345 4.381 -0.036 18987 10296 1 17 . 1 1 87 87 SER C C 87 174.534 174.534 174.340 0.194 18987 10297 1 17 . 1 1 87 87 SER CA C 87 59.820 59.820 60.935 -1.115 18987 10298 1 17 . 1 1 87 87 SER CB C 87 64.340 64.340 63.975 0.364 18987 10299 1 17 . 1 1 87 87 SER H H 87 7.644 7.644 7.907 -0.263 18987 10300 1 17 . 1 1 88 88 ASP N N 88 120.295 120.295 119.839 0.456 18987 10301 1 17 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.775 -0.171 18987 10302 1 17 . 1 1 88 88 ASP C C 88 175.618 175.618 175.969 -0.351 18987 10303 1 17 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.360 0.650 18987 10304 1 17 . 1 1 88 88 ASP CB C 88 41.020 41.020 42.889 -1.869 18987 10305 1 17 . 1 1 88 88 ASP H H 88 7.104 7.104 7.597 -0.493 18987 10306 1 17 . 1 1 89 89 GLY N N 89 111.841 111.841 111.838 0.003 18987 10307 1 17 . 1 1 89 89 GLY C C 89 176.171 176.171 175.115 1.056 18987 10308 1 17 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.554 1.126 18987 10309 1 17 . 1 1 89 89 GLY H H 89 9.325 9.325 8.837 0.488 18987 10310 1 17 . 1 1 90 90 MET N N 90 117.877 117.877 117.692 0.185 18987 10311 1 17 . 1 1 90 90 MET HA H 90 4.075 4.075 4.372 -0.297 18987 10312 1 17 . 1 1 90 90 MET C C 90 178.456 178.456 177.755 0.701 18987 10313 1 17 . 1 1 90 90 MET CA C 90 56.400 56.400 56.029 0.371 18987 10314 1 17 . 1 1 90 90 MET CB C 90 30.540 30.540 32.110 -1.570 18987 10315 1 17 . 1 1 90 90 MET H H 90 8.593 8.593 7.672 0.921 18987 10316 1 17 . 1 1 91 91 LEU N N 91 118.027 118.027 118.564 -0.537 18987 10317 1 17 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.165 0.114 18987 10318 1 17 . 1 1 91 91 LEU C C 91 176.298 176.298 176.423 -0.125 18987 10319 1 17 . 1 1 91 91 LEU CA C 91 55.460 55.460 56.096 -0.636 18987 10320 1 17 . 1 1 91 91 LEU CB C 91 43.130 43.130 42.151 0.979 18987 10321 1 17 . 1 1 91 91 LEU H H 91 8.224 8.224 7.581 0.643 18987 10322 1 17 . 1 1 92 92 VAL N N 92 120.960 120.960 116.482 4.478 18987 10323 1 17 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.218 -0.217 18987 10324 1 17 . 1 1 92 92 VAL C C 92 175.990 175.990 176.521 -0.531 18987 10325 1 17 . 1 1 92 92 VAL CA C 92 61.150 61.150 60.152 0.998 18987 10326 1 17 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.424 -0.154 18987 10327 1 17 . 1 1 92 92 VAL H H 92 7.093 7.093 7.060 0.033 18987 10328 1 17 . 1 1 93 93 LYS N N 93 130.687 130.687 124.629 6.058 18987 10329 1 17 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.101 -0.395 18987 10330 1 17 . 1 1 93 93 LYS C C 93 171.855 171.855 176.564 -4.709 18987 10331 1 17 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.306 1.614 18987 10332 1 17 . 1 1 93 93 LYS CB C 93 32.800 32.800 31.718 1.081 18987 10333 1 17 . 1 1 93 93 LYS H H 93 8.442 8.442 8.120 0.322 18987 10334 1 17 . 1 1 94 94 ARG N N 94 115.791 115.791 124.084 -8.293 18987 10335 1 17 . 1 1 94 94 ARG H H 94 7.676 7.676 8.487 -0.811 18987 10336 1 17 . 1 1 95 95 PRO C C 95 175.108 175.108 175.232 -0.124 18987 10337 1 17 . 1 1 96 96 LEU N N 96 128.494 128.494 125.737 2.757 18987 10338 1 17 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.303 -0.322 18987 10339 1 17 . 1 1 96 96 LEU C C 96 173.216 173.216 174.249 -1.033 18987 10340 1 17 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.418 1.452 18987 10341 1 17 . 1 1 96 96 LEU CB C 96 43.660 43.660 46.859 -3.199 18987 10342 1 17 . 1 1 96 96 LEU H H 96 8.246 8.246 8.270 -0.024 18987 10343 1 17 . 1 1 97 97 ALA N N 97 131.035 131.035 125.452 5.583 18987 10344 1 17 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.373 0.497 18987 10345 1 17 . 1 1 97 97 ALA C C 97 174.938 174.938 174.955 -0.017 18987 10346 1 17 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.459 -1.609 18987 10347 1 17 . 1 1 97 97 ALA CB C 97 20.070 20.070 22.054 -1.984 18987 10348 1 17 . 1 1 97 97 ALA H H 97 8.839 8.839 8.862 -0.023 18987 10349 1 17 . 1 1 98 98 VAL N N 98 119.830 119.830 124.899 -5.069 18987 10350 1 17 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.245 0.311 18987 10351 1 17 . 1 1 98 98 VAL C C 98 173.896 173.896 173.547 0.349 18987 10352 1 17 . 1 1 98 98 VAL CA C 98 59.270 59.270 59.872 -0.602 18987 10353 1 17 . 1 1 98 98 VAL CB C 98 35.970 35.970 35.860 0.110 18987 10354 1 17 . 1 1 98 98 VAL H H 98 8.824 8.824 8.686 0.138 18987 10355 1 17 . 1 1 99 99 MET N N 99 127.537 127.537 127.563 -0.026 18987 10356 1 17 . 1 1 99 99 MET HA H 99 4.430 4.430 4.993 -0.563 18987 10357 1 17 . 1 1 99 99 MET CA C 99 56.710 56.710 54.378 2.332 18987 10358 1 17 . 1 1 99 99 MET CB C 99 31.050 31.050 33.294 -2.244 18987 10359 1 17 . 1 1 99 99 MET H H 99 8.873 8.873 9.204 -0.331 18987 10360 1 17 . 1 1 100 100 GLY C C 100 173.024 173.024 174.375 -1.351 18987 10361 1 17 . 1 1 100 100 GLY CA C 100 47.970 47.970 47.391 0.579 18987 10362 1 17 . 1 1 101 101 ASP N N 101 124.308 124.308 123.671 0.637 18987 10363 1 17 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.728 -0.529 18987 10364 1 17 . 1 1 101 101 ASP C C 101 175.172 175.172 176.544 -1.372 18987 10365 1 17 . 1 1 101 101 ASP CA C 101 53.310 53.310 54.293 -0.983 18987 10366 1 17 . 1 1 101 101 ASP CB C 101 40.170 40.170 41.621 -1.451 18987 10367 1 17 . 1 1 101 101 ASP H H 101 8.257 8.257 8.257 0.000 18987 10368 1 17 . 1 1 102 102 LYS N N 102 121.002 121.002 120.615 0.387 18987 10369 1 17 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.628 -0.222 18987 10370 1 17 . 1 1 102 102 LYS C C 102 174.257 174.257 174.223 0.034 18987 10371 1 17 . 1 1 102 102 LYS CA C 102 55.370 55.370 55.072 0.298 18987 10372 1 17 . 1 1 102 102 LYS CB C 102 36.230 36.230 34.575 1.655 18987 10373 1 17 . 1 1 102 102 LYS H H 102 8.108 8.108 8.094 0.014 18987 10374 1 17 . 1 1 103 103 ILE N N 103 118.488 118.488 121.488 -3.000 18987 10375 1 17 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.132 0.727 18987 10376 1 17 . 1 1 103 103 ILE C C 103 173.652 173.652 174.070 -0.418 18987 10377 1 17 . 1 1 103 103 ILE CA C 103 58.620 58.620 60.009 -1.389 18987 10378 1 17 . 1 1 103 103 ILE CB C 103 42.250 42.250 41.739 0.511 18987 10379 1 17 . 1 1 103 103 ILE H H 103 8.038 8.038 8.200 -0.162 18987 10380 1 17 . 1 1 104 104 THR N N 104 115.441 115.441 117.034 -1.593 18987 10381 1 17 . 1 1 104 104 THR HA H 104 4.524 4.524 4.568 -0.044 18987 10382 1 17 . 1 1 104 104 THR C C 104 173.503 173.503 172.574 0.929 18987 10383 1 17 . 1 1 104 104 THR CA C 104 60.660 60.660 60.066 0.594 18987 10384 1 17 . 1 1 104 104 THR CB C 104 72.460 72.460 71.520 0.940 18987 10385 1 17 . 1 1 104 104 THR H H 104 9.360 9.360 9.078 0.282 18987 10386 1 17 . 1 1 105 105 LEU N N 105 123.352 123.352 126.261 -2.909 18987 10387 1 17 . 1 1 105 105 LEU HA H 105 5.023 5.023 4.668 0.355 18987 10388 1 17 . 1 1 105 105 LEU C C 105 178.860 178.860 177.999 0.861 18987 10389 1 17 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.272 -1.232 18987 10390 1 17 . 1 1 105 105 LEU CB C 105 44.290 44.290 44.922 -0.632 18987 10391 1 17 . 1 1 105 105 LEU H H 105 8.857 8.857 8.340 0.517 18987 10392 1 17 . 1 1 106 106 GLY N N 106 108.363 108.363 111.451 -3.088 18987 10393 1 17 . 1 1 106 106 GLY C C 106 172.100 172.100 172.784 -0.684 18987 10394 1 17 . 1 1 106 106 GLY CA C 106 44.870 44.870 46.095 -1.225 18987 10395 1 17 . 1 1 106 106 GLY H H 106 8.241 8.241 8.448 -0.207 18987 10396 1 17 . 1 1 107 107 PHE HA H 107 4.688 4.688 5.038 -0.350 18987 10397 1 17 . 1 1 107 107 PHE CA C 107 58.000 58.000 57.479 0.521 18987 10398 1 17 . 1 1 107 107 PHE CB C 107 41.620 41.620 39.773 1.847 18987 10399 1 17 . 1 1 108 108 LYS N N 108 129.677 129.677 128.214 1.463 18987 10400 1 17 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.426 -0.524 18987 10401 1 17 . 1 1 108 108 LYS CA C 108 54.650 54.650 55.291 -0.641 18987 10402 1 17 . 1 1 108 108 LYS CB C 108 34.130 34.130 33.628 0.502 18987 10403 1 17 . 1 1 108 108 LYS H H 108 7.351 7.351 8.358 -1.007 18987 10404 1 17 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.609 -0.649 18987 10405 1 17 . 1 1 109 109 GLU C C 109 177.255 177.255 177.655 -0.400 18987 10406 1 17 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.709 1.131 18987 10407 1 17 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.458 -0.158 18987 10408 1 17 . 1 1 110 110 ASP N N 110 115.831 115.831 118.963 -3.132 18987 10409 1 17 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.296 -0.139 18987 10410 1 17 . 1 1 110 110 ASP C C 110 178.456 178.456 178.213 0.243 18987 10411 1 17 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.680 -0.770 18987 10412 1 17 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.463 -1.253 18987 10413 1 17 . 1 1 110 110 ASP H H 110 8.654 8.654 8.365 0.289 18987 10414 1 17 . 1 1 111 111 GLN N N 111 119.458 119.458 117.232 2.226 18987 10415 1 17 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.957 0.124 18987 10416 1 17 . 1 1 111 111 GLN C C 111 179.189 179.189 178.539 0.650 18987 10417 1 17 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.492 -0.352 18987 10418 1 17 . 1 1 111 111 GLN CB C 111 28.850 28.850 28.095 0.755 18987 10419 1 17 . 1 1 111 111 GLN H H 111 6.993 6.993 8.439 -1.446 18987 10420 1 17 . 1 1 112 112 TYR N N 112 124.973 124.973 119.791 5.182 18987 10421 1 17 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.222 -0.295 18987 10422 1 17 . 1 1 112 112 TYR C C 112 178.254 178.254 177.908 0.346 18987 10423 1 17 . 1 1 112 112 TYR CA C 112 62.690 62.690 62.418 0.272 18987 10424 1 17 . 1 1 112 112 TYR CB C 112 36.660 36.660 38.444 -1.784 18987 10425 1 17 . 1 1 112 112 TYR H H 112 8.289 8.289 8.288 0.001 18987 10426 1 17 . 1 1 113 113 LYS N N 113 118.329 118.329 118.436 -0.107 18987 10427 1 17 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.103 -0.190 18987 10428 1 17 . 1 1 113 113 LYS C C 113 178.296 178.296 178.495 -0.199 18987 10429 1 17 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.572 1.508 18987 10430 1 17 . 1 1 113 113 LYS CB C 113 32.810 32.810 31.852 0.958 18987 10431 1 17 . 1 1 113 113 LYS H H 113 8.310 8.310 8.039 0.271 18987 10432 1 17 . 1 1 114 114 GLU N N 114 115.605 115.605 119.102 -3.497 18987 10433 1 17 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.214 -0.318 18987 10434 1 17 . 1 1 114 114 GLU C C 114 177.308 177.308 178.043 -0.735 18987 10435 1 17 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.865 -0.555 18987 10436 1 17 . 1 1 114 114 GLU CB C 114 30.140 30.140 29.747 0.393 18987 10437 1 17 . 1 1 114 114 GLU H H 114 7.603 7.603 7.960 -0.357 18987 10438 1 17 . 1 1 115 115 THR N N 115 112.256 112.256 112.925 -0.669 18987 10439 1 17 . 1 1 115 115 THR HA H 115 3.666 3.666 4.080 -0.414 18987 10440 1 17 . 1 1 115 115 THR C C 115 174.672 174.672 175.701 -1.029 18987 10441 1 17 . 1 1 115 115 THR CA C 115 65.710 65.710 64.968 0.742 18987 10442 1 17 . 1 1 115 115 THR CB C 115 68.700 68.700 69.087 -0.387 18987 10443 1 17 . 1 1 115 115 THR H H 115 7.591 7.591 7.887 -0.296 18987 10444 1 17 . 1 1 116 116 TRP N N 116 116.495 116.495 120.610 -4.115 18987 10445 1 17 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.593 0.710 18987 10446 1 17 . 1 1 116 116 TRP C C 116 176.553 176.553 176.321 0.232 18987 10447 1 17 . 1 1 116 116 TRP CA C 116 55.620 55.620 57.629 -2.009 18987 10448 1 17 . 1 1 116 116 TRP CB C 116 31.430 31.430 30.070 1.360 18987 10449 1 17 . 1 1 116 116 TRP H H 116 7.661 7.661 7.580 0.081 18987 10450 1 17 . 1 1 117 117 LEU N N 117 116.588 116.588 119.247 -2.659 18987 10451 1 17 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.689 -0.087 18987 10452 1 17 . 1 1 117 117 LEU C C 117 175.788 175.788 176.739 -0.951 18987 10453 1 17 . 1 1 117 117 LEU CA C 117 53.860 53.860 53.646 0.214 18987 10454 1 17 . 1 1 117 117 LEU CB C 117 40.880 40.880 43.769 -2.889 18987 10455 1 17 . 1 1 117 117 LEU H H 117 6.922 6.922 7.178 -0.257 18987 10456 1 18 . 1 1 2 2 ILE N N 2 124.348 124.348 122.257 2.091 18987 10457 1 18 . 1 1 2 2 ILE HA H 2 3.576 3.576 3.908 -0.332 18987 10458 1 18 . 1 1 2 2 ILE C C 2 175.884 175.884 176.070 -0.186 18987 10459 1 18 . 1 1 2 2 ILE CA C 2 62.790 62.790 62.136 0.654 18987 10460 1 18 . 1 1 2 2 ILE CB C 2 40.400 40.400 36.955 3.445 18987 10461 1 18 . 1 1 2 2 ILE H H 2 7.539 7.539 8.122 -0.583 18987 10462 1 18 . 1 1 3 3 LYS N N 3 128.600 128.600 128.169 0.431 18987 10463 1 18 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.076 0.259 18987 10464 1 18 . 1 1 3 3 LYS C C 3 173.322 173.322 175.934 -2.612 18987 10465 1 18 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.864 1.766 18987 10466 1 18 . 1 1 3 3 LYS CB C 3 32.800 32.800 30.338 2.462 18987 10467 1 18 . 1 1 3 3 LYS H H 3 8.524 8.524 8.452 0.072 18987 10468 1 18 . 1 1 4 4 PHE N N 4 128.560 128.560 127.536 1.024 18987 10469 1 18 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.778 0.057 18987 10470 1 18 . 1 1 4 4 PHE C C 4 172.546 172.546 174.296 -1.750 18987 10471 1 18 . 1 1 4 4 PHE CA C 4 56.570 56.570 55.914 0.656 18987 10472 1 18 . 1 1 4 4 PHE CB C 4 42.600 42.600 38.530 4.070 18987 10473 1 18 . 1 1 4 4 PHE H H 4 8.412 8.412 7.965 0.447 18987 10474 1 18 . 1 1 5 5 TYR N N 5 125.785 125.785 126.664 -0.879 18987 10475 1 18 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.043 0.083 18987 10476 1 18 . 1 1 5 5 TYR C C 5 175.852 175.852 175.285 0.567 18987 10477 1 18 . 1 1 5 5 TYR CA C 5 57.980 57.980 58.785 -0.805 18987 10478 1 18 . 1 1 5 5 TYR CB C 5 38.550 38.550 39.104 -0.554 18987 10479 1 18 . 1 1 5 5 TYR H H 5 9.313 9.313 8.444 0.869 18987 10480 1 18 . 1 1 6 6 GLN N N 6 117.436 117.436 118.106 -0.670 18987 10481 1 18 . 1 1 6 6 GLN HA H 6 4.622 4.622 4.784 -0.162 18987 10482 1 18 . 1 1 6 6 GLN C C 6 171.951 171.951 173.681 -1.730 18987 10483 1 18 . 1 1 6 6 GLN CA C 6 53.430 53.430 54.434 -1.004 18987 10484 1 18 . 1 1 6 6 GLN CB C 6 30.490 30.490 32.303 -1.813 18987 10485 1 18 . 1 1 6 6 GLN H H 6 9.110 9.110 8.712 0.398 18987 10486 1 18 . 1 1 7 7 TYR N N 7 116.309 116.309 120.214 -3.905 18987 10487 1 18 . 1 1 7 7 TYR HA H 7 4.953 4.953 4.732 0.221 18987 10488 1 18 . 1 1 7 7 TYR CA C 7 56.130 56.130 58.553 -2.422 18987 10489 1 18 . 1 1 7 7 TYR CB C 7 42.860 42.860 41.635 1.225 18987 10490 1 18 . 1 1 7 7 TYR H H 7 7.075 7.075 8.467 -1.392 18987 10491 1 18 . 1 1 12 12 THR HA H 12 3.868 3.868 3.973 -0.105 18987 10492 1 18 . 1 1 12 12 THR C C 12 176.203 176.203 176.751 -0.548 18987 10493 1 18 . 1 1 12 12 THR CA C 12 65.930 65.930 66.354 -0.424 18987 10494 1 18 . 1 1 12 12 THR CB C 12 68.630 68.630 68.273 0.357 18987 10495 1 18 . 1 1 13 13 CYS N N 13 116.721 116.721 120.399 -3.678 18987 10496 1 18 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.345 -0.114 18987 10497 1 18 . 1 1 13 13 CYS C C 13 174.938 174.938 176.761 -1.823 18987 10498 1 18 . 1 1 13 13 CYS CA C 13 63.790 63.790 62.544 1.246 18987 10499 1 18 . 1 1 13 13 CYS CB C 13 33.590 33.590 27.556 6.034 18987 10500 1 18 . 1 1 13 13 CYS H H 13 8.441 8.441 8.624 -0.183 18987 10501 1 18 . 1 1 14 14 LYS N N 14 119.429 119.429 120.177 -0.748 18987 10502 1 18 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.081 -0.044 18987 10503 1 18 . 1 1 14 14 LYS C C 14 179.370 179.370 179.110 0.260 18987 10504 1 18 . 1 1 14 14 LYS CA C 14 59.150 59.150 59.071 0.079 18987 10505 1 18 . 1 1 14 14 LYS CB C 14 32.270 32.270 32.066 0.203 18987 10506 1 18 . 1 1 14 14 LYS H H 14 7.805 7.805 7.631 0.174 18987 10507 1 18 . 1 1 15 15 LYS N N 15 119.379 119.379 119.515 -0.136 18987 10508 1 18 . 1 1 15 15 LYS HA H 15 3.677 3.677 4.199 -0.522 18987 10509 1 18 . 1 1 15 15 LYS C C 15 177.999 177.999 179.270 -1.271 18987 10510 1 18 . 1 1 15 15 LYS CA C 15 59.270 59.270 59.234 0.036 18987 10511 1 18 . 1 1 15 15 LYS CB C 15 32.630 32.630 32.460 0.170 18987 10512 1 18 . 1 1 15 15 LYS H H 15 7.612 7.612 7.969 -0.357 18987 10513 1 18 . 1 1 16 16 ALA N N 16 122.940 122.940 122.196 0.744 18987 10514 1 18 . 1 1 16 16 ALA HA H 16 2.906 2.906 4.159 -1.253 18987 10515 1 18 . 1 1 16 16 ALA C C 16 177.999 177.999 179.096 -1.097 18987 10516 1 18 . 1 1 16 16 ALA CA C 16 54.370 54.370 55.037 -0.667 18987 10517 1 18 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.264 1.006 18987 10518 1 18 . 1 1 16 16 ALA H H 16 7.346 7.346 8.346 -1.000 18987 10519 1 18 . 1 1 17 17 ALA N N 17 120.093 120.093 119.897 0.196 18987 10520 1 18 . 1 1 17 17 ALA HA H 17 2.965 2.965 2.779 0.186 18987 10521 1 18 . 1 1 17 17 ALA C C 17 178.466 178.466 178.821 -0.355 18987 10522 1 18 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.156 0.714 18987 10523 1 18 . 1 1 17 17 ALA CB C 17 17.270 17.270 17.909 -0.638 18987 10524 1 18 . 1 1 17 17 ALA H H 17 7.959 7.959 7.872 0.087 18987 10525 1 18 . 1 1 18 18 LYS N N 18 115.894 115.894 120.174 -4.280 18987 10526 1 18 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.059 -0.094 18987 10527 1 18 . 1 1 18 18 LYS C C 18 178.647 178.647 178.327 0.320 18987 10528 1 18 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.622 0.288 18987 10529 1 18 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.050 0.130 18987 10530 1 18 . 1 1 18 18 LYS H H 18 7.565 7.565 7.752 -0.187 18987 10531 1 18 . 1 1 19 19 PHE N N 19 120.854 120.854 120.156 0.698 18987 10532 1 18 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.287 -0.048 18987 10533 1 18 . 1 1 19 19 PHE C C 19 176.925 176.925 177.245 -0.320 18987 10534 1 18 . 1 1 19 19 PHE CA C 19 61.730 61.730 62.014 -0.284 18987 10535 1 18 . 1 1 19 19 PHE CB C 19 39.140 39.140 39.194 -0.054 18987 10536 1 18 . 1 1 19 19 PHE H H 19 7.496 7.496 7.922 -0.426 18987 10537 1 18 . 1 1 20 20 LEU N N 20 118.913 118.913 118.564 0.349 18987 10538 1 18 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.715 0.183 18987 10539 1 18 . 1 1 20 20 LEU C C 20 179.657 179.657 178.369 1.288 18987 10540 1 18 . 1 1 20 20 LEU CA C 20 58.330 58.330 57.811 0.519 18987 10541 1 18 . 1 1 20 20 LEU CB C 20 40.460 40.460 41.118 -0.658 18987 10542 1 18 . 1 1 20 20 LEU H H 20 8.012 8.012 7.972 0.040 18987 10543 1 18 . 1 1 21 21 ASP N N 21 118.448 118.448 119.028 -0.580 18987 10544 1 18 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.431 0.025 18987 10545 1 18 . 1 1 21 21 ASP C C 21 180.358 180.358 179.174 1.184 18987 10546 1 18 . 1 1 21 21 ASP CA C 21 57.680 57.680 57.481 0.199 18987 10547 1 18 . 1 1 21 21 ASP CB C 21 40.520 40.520 40.956 -0.436 18987 10548 1 18 . 1 1 21 21 ASP H H 21 8.814 8.814 8.002 0.812 18987 10549 1 18 . 1 1 22 22 GLU N N 22 122.661 122.661 119.745 2.916 18987 10550 1 18 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.019 -0.277 18987 10551 1 18 . 1 1 22 22 GLU C C 22 178.371 178.371 178.060 0.311 18987 10552 1 18 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.879 0.361 18987 10553 1 18 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.688 -0.908 18987 10554 1 18 . 1 1 22 22 GLU H H 22 8.544 8.544 7.887 0.657 18987 10555 1 18 . 1 1 23 23 TYR N N 23 114.768 114.768 116.206 -1.438 18987 10556 1 18 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.389 -0.139 18987 10557 1 18 . 1 1 23 23 TYR C C 23 175.724 175.724 175.651 0.073 18987 10558 1 18 . 1 1 23 23 TYR CA C 23 59.070 59.070 58.178 0.892 18987 10559 1 18 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.470 0.550 18987 10560 1 18 . 1 1 23 23 TYR H H 23 7.522 7.522 7.723 -0.201 18987 10561 1 18 . 1 1 24 24 GLY N N 24 110.449 110.449 108.324 2.125 18987 10562 1 18 . 1 1 24 24 GLY C C 24 174.534 174.534 174.660 -0.126 18987 10563 1 18 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.404 1.716 18987 10564 1 18 . 1 1 24 24 GLY H H 24 7.792 7.792 7.527 0.265 18987 10565 1 18 . 1 1 25 25 VAL N N 25 122.714 122.714 121.996 0.718 18987 10566 1 18 . 1 1 25 25 VAL HA H 25 3.959 3.959 4.060 -0.101 18987 10567 1 18 . 1 1 25 25 VAL C C 25 176.266 176.266 175.782 0.484 18987 10568 1 18 . 1 1 25 25 VAL CA C 25 62.000 62.000 61.899 0.101 18987 10569 1 18 . 1 1 25 25 VAL CB C 25 32.480 32.480 32.072 0.408 18987 10570 1 18 . 1 1 25 25 VAL H H 25 8.393 8.393 8.064 0.329 18987 10571 1 18 . 1 1 26 26 SER N N 26 123.498 123.498 125.510 -2.012 18987 10572 1 18 . 1 1 26 26 SER HA H 26 4.351 4.351 4.318 0.033 18987 10573 1 18 . 1 1 26 26 SER C C 26 173.513 173.513 173.543 -0.030 18987 10574 1 18 . 1 1 26 26 SER CA C 26 59.040 59.040 57.403 1.637 18987 10575 1 18 . 1 1 26 26 SER CB C 26 63.530 63.530 62.188 1.341 18987 10576 1 18 . 1 1 26 26 SER H H 26 8.559 8.559 8.656 -0.097 18987 10577 1 18 . 1 1 27 27 TYR N N 27 119.756 119.756 120.953 -1.197 18987 10578 1 18 . 1 1 27 27 TYR HA H 27 4.983 4.983 5.017 -0.034 18987 10579 1 18 . 1 1 27 27 TYR C C 27 172.355 172.355 175.401 -3.046 18987 10580 1 18 . 1 1 27 27 TYR CA C 27 55.750 55.750 54.896 0.854 18987 10581 1 18 . 1 1 27 27 TYR CB C 27 40.730 40.730 40.434 0.296 18987 10582 1 18 . 1 1 27 27 TYR H H 27 7.838 7.838 7.599 0.239 18987 10583 1 18 . 1 1 28 28 GLU N N 28 123.126 123.126 120.255 2.871 18987 10584 1 18 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.753 -0.025 18987 10585 1 18 . 1 1 28 28 GLU CA C 28 51.420 51.420 52.236 -0.816 18987 10586 1 18 . 1 1 28 28 GLU CB C 28 31.790 31.790 31.012 0.778 18987 10587 1 18 . 1 1 28 28 GLU H H 28 9.006 9.006 8.812 0.194 18987 10588 1 18 . 1 1 29 29 PRO HA H 29 5.619 5.619 5.065 0.554 18987 10589 1 18 . 1 1 29 29 PRO C C 29 177.276 177.276 176.038 1.238 18987 10590 1 18 . 1 1 29 29 PRO CA C 29 61.820 61.820 62.771 -0.951 18987 10591 1 18 . 1 1 29 29 PRO CB C 29 31.890 31.890 30.803 1.087 18987 10592 1 18 . 1 1 30 30 ILE N N 30 127.043 127.043 117.575 9.468 18987 10593 1 18 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.257 -0.153 18987 10594 1 18 . 1 1 30 30 ILE C C 30 174.948 174.948 174.535 0.413 18987 10595 1 18 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.581 1.779 18987 10596 1 18 . 1 1 30 30 ILE CB C 30 42.210 42.210 39.965 2.245 18987 10597 1 18 . 1 1 30 30 ILE H H 30 9.148 9.148 7.635 1.513 18987 10598 1 18 . 1 1 31 31 ASP N N 31 128.946 128.946 123.744 5.202 18987 10599 1 18 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.400 -0.508 18987 10600 1 18 . 1 1 31 31 ASP C C 31 176.373 176.373 177.496 -1.123 18987 10601 1 18 . 1 1 31 31 ASP CA C 31 54.600 54.600 55.796 -1.196 18987 10602 1 18 . 1 1 31 31 ASP CB C 31 42.920 42.920 42.011 0.909 18987 10603 1 18 . 1 1 31 31 ASP H H 31 9.092 9.092 8.763 0.329 18987 10604 1 18 . 1 1 32 32 ILE N N 32 127.576 127.576 127.292 0.284 18987 10605 1 18 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.215 -0.123 18987 10606 1 18 . 1 1 32 32 ILE C C 32 174.013 174.013 176.445 -2.432 18987 10607 1 18 . 1 1 32 32 ILE CA C 32 62.520 62.520 63.450 -0.930 18987 10608 1 18 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.613 2.137 18987 10609 1 18 . 1 1 32 32 ILE H H 32 9.362 9.362 8.658 0.704 18987 10610 1 18 . 1 1 33 33 VAL N N 33 123.498 123.498 117.640 5.858 18987 10611 1 18 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.939 -0.296 18987 10612 1 18 . 1 1 33 33 VAL C C 33 176.819 176.819 177.059 -0.240 18987 10613 1 18 . 1 1 33 33 VAL CA C 33 65.050 65.050 63.682 1.368 18987 10614 1 18 . 1 1 33 33 VAL CB C 33 31.970 31.970 31.488 0.482 18987 10615 1 18 . 1 1 33 33 VAL H H 33 8.445 8.445 8.092 0.353 18987 10616 1 18 . 1 1 34 34 GLN N N 34 119.897 119.897 118.060 1.837 18987 10617 1 18 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.192 -0.239 18987 10618 1 18 . 1 1 34 34 GLN C C 34 176.734 176.734 176.456 0.278 18987 10619 1 18 . 1 1 34 34 GLN CA C 34 57.540 57.540 57.613 -0.073 18987 10620 1 18 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.563 0.297 18987 10621 1 18 . 1 1 34 34 GLN H H 34 8.650 8.650 8.265 0.385 18987 10622 1 18 . 1 1 35 35 HIS N N 35 118.090 118.090 117.701 0.389 18987 10623 1 18 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.935 0.029 18987 10624 1 18 . 1 1 35 35 HIS C C 35 173.758 173.758 174.050 -0.292 18987 10625 1 18 . 1 1 35 35 HIS CA C 35 53.660 53.660 55.063 -1.403 18987 10626 1 18 . 1 1 35 35 HIS CB C 35 29.190 29.190 30.341 -1.151 18987 10627 1 18 . 1 1 35 35 HIS H H 35 8.178 8.178 7.948 0.230 18987 10628 1 18 . 1 1 36 36 THR N N 36 118.794 118.794 118.904 -0.110 18987 10629 1 18 . 1 1 36 36 THR HA H 36 4.142 4.142 4.469 -0.327 18987 10630 1 18 . 1 1 36 36 THR CA C 36 62.080 62.080 62.160 -0.080 18987 10631 1 18 . 1 1 36 36 THR CB C 36 70.180 70.180 69.227 0.953 18987 10632 1 18 . 1 1 36 36 THR H H 36 7.468 7.468 7.819 -0.351 18987 10633 1 18 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.452 -0.177 18987 10634 1 18 . 1 1 37 37 PRO C C 37 174.970 174.970 176.539 -1.569 18987 10635 1 18 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.205 0.765 18987 10636 1 18 . 1 1 37 37 PRO CB C 37 29.430 29.430 32.483 -3.054 18987 10637 1 18 . 1 1 38 38 THR N N 38 111.512 111.512 111.535 -0.023 18987 10638 1 18 . 1 1 38 38 THR HA H 38 4.298 4.298 4.577 -0.279 18987 10639 1 18 . 1 1 38 38 THR C C 38 175.756 175.756 176.956 -1.200 18987 10640 1 18 . 1 1 38 38 THR CA C 38 60.700 60.700 60.157 0.543 18987 10641 1 18 . 1 1 38 38 THR CB C 38 71.560 71.560 70.422 1.138 18987 10642 1 18 . 1 1 38 38 THR H H 38 8.220 8.220 8.225 -0.005 18987 10643 1 18 . 1 1 39 39 ILE N N 39 119.950 119.950 119.678 0.272 18987 10644 1 18 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.841 -0.164 18987 10645 1 18 . 1 1 39 39 ILE C C 39 177.871 177.871 178.016 -0.145 18987 10646 1 18 . 1 1 39 39 ILE CA C 39 67.100 67.100 64.999 2.101 18987 10647 1 18 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.644 0.496 18987 10648 1 18 . 1 1 39 39 ILE H H 39 8.763 8.763 8.663 0.100 18987 10649 1 18 . 1 1 40 40 ASN N N 40 116.189 116.189 118.427 -2.238 18987 10650 1 18 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.472 -0.123 18987 10651 1 18 . 1 1 40 40 ASN C C 40 178.445 178.445 177.839 0.606 18987 10652 1 18 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.627 -0.297 18987 10653 1 18 . 1 1 40 40 ASN CB C 40 37.940 37.940 38.366 -0.426 18987 10654 1 18 . 1 1 40 40 ASN H H 40 8.180 8.180 7.845 0.335 18987 10655 1 18 . 1 1 41 41 GLU N N 41 121.970 121.970 120.638 1.332 18987 10656 1 18 . 1 1 41 41 GLU HA H 41 3.915 3.915 4.053 -0.138 18987 10657 1 18 . 1 1 41 41 GLU C C 41 180.093 180.093 178.966 1.127 18987 10658 1 18 . 1 1 41 41 GLU CA C 41 59.590 59.590 59.372 0.218 18987 10659 1 18 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.155 0.595 18987 10660 1 18 . 1 1 41 41 GLU H H 41 7.782 7.782 7.613 0.169 18987 10661 1 18 . 1 1 42 42 PHE N N 42 118.929 118.929 118.918 0.011 18987 10662 1 18 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.100 0.070 18987 10663 1 18 . 1 1 42 42 PHE C C 42 178.488 178.488 177.455 1.033 18987 10664 1 18 . 1 1 42 42 PHE CA C 42 63.020 63.020 61.969 1.050 18987 10665 1 18 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.797 0.433 18987 10666 1 18 . 1 1 42 42 PHE H H 42 8.776 8.776 8.048 0.728 18987 10667 1 18 . 1 1 43 43 LYS N N 43 118.820 118.820 118.348 0.472 18987 10668 1 18 . 1 1 43 43 LYS HA H 43 3.795 3.795 4.022 -0.227 18987 10669 1 18 . 1 1 43 43 LYS C C 43 179.816 179.816 179.393 0.423 18987 10670 1 18 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.512 1.638 18987 10671 1 18 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.982 0.258 18987 10672 1 18 . 1 1 43 43 LYS H H 43 8.775 8.775 8.087 0.688 18987 10673 1 18 . 1 1 44 44 THR N N 44 118.754 118.754 117.538 1.216 18987 10674 1 18 . 1 1 44 44 THR HA H 44 3.894 3.894 4.101 -0.207 18987 10675 1 18 . 1 1 44 44 THR C C 44 175.214 175.214 176.539 -1.325 18987 10676 1 18 . 1 1 44 44 THR CA C 44 66.900 66.900 66.653 0.246 18987 10677 1 18 . 1 1 44 44 THR CB C 44 68.920 68.920 68.867 0.053 18987 10678 1 18 . 1 1 44 44 THR H H 44 7.959 7.959 8.081 -0.122 18987 10679 1 18 . 1 1 45 45 ILE N N 45 122.671 122.671 118.978 3.693 18987 10680 1 18 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.937 -0.130 18987 10681 1 18 . 1 1 45 45 ILE C C 45 180.273 180.273 178.060 2.213 18987 10682 1 18 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.713 1.337 18987 10683 1 18 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.377 1.373 18987 10684 1 18 . 1 1 45 45 ILE H H 45 8.100 8.100 7.852 0.248 18987 10685 1 18 . 1 1 46 46 ILE N N 46 123.392 123.392 121.415 1.977 18987 10686 1 18 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.891 -0.366 18987 10687 1 18 . 1 1 46 46 ILE C C 46 178.509 178.509 177.486 1.023 18987 10688 1 18 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.877 0.933 18987 10689 1 18 . 1 1 46 46 ILE CB C 46 38.110 38.110 37.976 0.134 18987 10690 1 18 . 1 1 46 46 ILE H H 46 8.778 8.778 8.005 0.773 18987 10691 1 18 . 1 1 47 47 ALA N N 47 123.336 123.336 120.930 2.406 18987 10692 1 18 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.111 -0.063 18987 10693 1 18 . 1 1 47 47 ALA C C 47 180.114 180.114 179.033 1.081 18987 10694 1 18 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.728 0.172 18987 10695 1 18 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.366 -0.036 18987 10696 1 18 . 1 1 47 47 ALA H H 47 8.232 8.232 7.785 0.447 18987 10697 1 18 . 1 1 48 48 ASN N N 48 114.090 114.090 115.059 -0.969 18987 10698 1 18 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.794 -0.304 18987 10699 1 18 . 1 1 48 48 ASN C C 48 177.776 177.776 177.068 0.708 18987 10700 1 18 . 1 1 48 48 ASN CA C 48 55.070 55.070 55.188 -0.118 18987 10701 1 18 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.721 -1.051 18987 10702 1 18 . 1 1 48 48 ASN H H 48 8.464 8.464 8.023 0.441 18987 10703 1 18 . 1 1 49 49 THR N N 49 106.742 106.742 109.169 -2.427 18987 10704 1 18 . 1 1 49 49 THR HA H 49 4.471 4.471 4.486 -0.015 18987 10705 1 18 . 1 1 49 49 THR C C 49 176.968 176.968 175.930 1.038 18987 10706 1 18 . 1 1 49 49 THR CA C 49 62.550 62.550 62.744 -0.194 18987 10707 1 18 . 1 1 49 49 THR CB C 49 72.150 72.150 70.604 1.546 18987 10708 1 18 . 1 1 49 49 THR H H 49 8.035 8.035 7.858 0.177 18987 10709 1 18 . 1 1 50 50 GLY N N 50 112.246 112.246 110.826 1.420 18987 10710 1 18 . 1 1 50 50 GLY C C 50 174.055 174.055 174.497 -0.442 18987 10711 1 18 . 1 1 50 50 GLY CA C 50 45.940 45.940 45.391 0.549 18987 10712 1 18 . 1 1 50 50 GLY H H 50 8.323 8.323 7.759 0.564 18987 10713 1 18 . 1 1 51 51 VAL N N 51 121.212 121.212 118.559 2.653 18987 10714 1 18 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.152 -0.277 18987 10715 1 18 . 1 1 51 51 VAL C C 51 173.120 173.120 175.501 -2.381 18987 10716 1 18 . 1 1 51 51 VAL CA C 51 61.380 61.380 61.028 0.352 18987 10717 1 18 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.363 -1.473 18987 10718 1 18 . 1 1 51 51 VAL H H 51 7.429 7.429 7.427 0.002 18987 10719 1 18 . 1 1 52 52 GLU N N 52 126.158 126.158 124.623 1.535 18987 10720 1 18 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.281 -0.172 18987 10721 1 18 . 1 1 52 52 GLU C C 52 178.190 178.190 176.491 1.699 18987 10722 1 18 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.962 -0.722 18987 10723 1 18 . 1 1 52 52 GLU CB C 52 30.190 30.190 29.867 0.323 18987 10724 1 18 . 1 1 52 52 GLU H H 52 7.881 7.881 8.495 -0.614 18987 10725 1 18 . 1 1 53 53 ILE N N 53 125.807 125.807 125.848 -0.041 18987 10726 1 18 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.923 -0.499 18987 10727 1 18 . 1 1 53 53 ILE C C 53 177.425 177.425 177.435 -0.010 18987 10728 1 18 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.337 2.442 18987 10729 1 18 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.350 -0.390 18987 10730 1 18 . 1 1 53 53 ILE H H 53 8.430 8.430 8.670 -0.240 18987 10731 1 18 . 1 1 54 54 ASN N N 54 116.588 116.588 118.555 -1.967 18987 10732 1 18 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.837 -0.381 18987 10733 1 18 . 1 1 54 54 ASN C C 54 178.807 178.807 177.047 1.760 18987 10734 1 18 . 1 1 54 54 ASN CA C 54 55.770 55.770 56.146 -0.376 18987 10735 1 18 . 1 1 54 54 ASN CB C 54 37.140 37.140 38.070 -0.930 18987 10736 1 18 . 1 1 54 54 ASN H H 54 8.585 8.585 8.430 0.155 18987 10737 1 18 . 1 1 55 55 LYS N N 55 117.013 117.013 117.113 -0.100 18987 10738 1 18 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.142 -0.040 18987 10739 1 18 . 1 1 55 55 LYS C C 55 176.819 176.819 177.242 -0.423 18987 10740 1 18 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.263 -0.702 18987 10741 1 18 . 1 1 55 55 LYS CB C 55 32.180 32.180 31.578 0.602 18987 10742 1 18 . 1 1 55 55 LYS H H 55 7.661 7.661 8.268 -0.607 18987 10743 1 18 . 1 1 56 56 LEU N N 56 114.768 114.768 118.840 -4.072 18987 10744 1 18 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.263 -0.336 18987 10745 1 18 . 1 1 56 56 LEU C C 56 176.702 176.702 176.762 -0.060 18987 10746 1 18 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.466 0.454 18987 10747 1 18 . 1 1 56 56 LEU CB C 56 42.020 42.020 41.927 0.093 18987 10748 1 18 . 1 1 56 56 LEU H H 56 7.690 7.690 7.224 0.466 18987 10749 1 18 . 1 1 57 57 PHE N N 57 114.558 114.558 117.975 -3.417 18987 10750 1 18 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.654 -0.206 18987 10751 1 18 . 1 1 57 57 PHE C C 57 176.319 176.319 176.533 -0.214 18987 10752 1 18 . 1 1 57 57 PHE CA C 57 58.470 58.470 58.495 -0.025 18987 10753 1 18 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.960 0.740 18987 10754 1 18 . 1 1 57 57 PHE H H 57 7.032 7.032 7.553 -0.521 18987 10755 1 18 . 1 1 58 58 ASN N N 58 118.674 118.674 120.014 -1.340 18987 10756 1 18 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.554 -0.068 18987 10757 1 18 . 1 1 58 58 ASN CA C 58 51.540 51.540 53.561 -2.021 18987 10758 1 18 . 1 1 58 58 ASN CB C 58 36.910 36.910 37.867 -0.957 18987 10759 1 18 . 1 1 58 58 ASN H H 58 8.659 8.659 8.647 0.012 18987 10760 1 18 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.100 0.462 18987 10761 1 18 . 1 1 60 60 HIS C C 60 176.309 176.309 176.425 -0.116 18987 10762 1 18 . 1 1 60 60 HIS CA C 60 55.920 55.920 58.786 -2.866 18987 10763 1 18 . 1 1 60 60 HIS CB C 60 30.890 30.890 28.263 2.627 18987 10764 1 18 . 1 1 61 61 GLY N N 61 106.925 106.925 108.556 -1.631 18987 10765 1 18 . 1 1 61 61 GLY CA C 61 45.180 45.180 45.958 -0.778 18987 10766 1 18 . 1 1 61 61 GLY H H 61 7.284 7.284 8.523 -1.239 18987 10767 1 18 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.039 0.009 18987 10768 1 18 . 1 1 63 63 LYS C C 63 177.435 177.435 178.391 -0.956 18987 10769 1 18 . 1 1 63 63 LYS CA C 63 58.300 58.300 59.062 -0.762 18987 10770 1 18 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.572 -1.411 18987 10771 1 18 . 1 1 64 64 TYR N N 64 119.737 119.737 120.252 -0.515 18987 10772 1 18 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.104 -0.448 18987 10773 1 18 . 1 1 64 64 TYR C C 64 178.339 178.339 176.142 2.197 18987 10774 1 18 . 1 1 64 64 TYR CA C 64 61.610 61.610 61.614 -0.004 18987 10775 1 18 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.612 0.288 18987 10776 1 18 . 1 1 64 64 TYR H H 64 7.644 7.644 8.043 -0.399 18987 10777 1 18 . 1 1 65 65 ARG N N 65 118.236 118.236 115.942 2.294 18987 10778 1 18 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.343 -0.133 18987 10779 1 18 . 1 1 65 65 ARG C C 65 179.816 179.816 177.484 2.332 18987 10780 1 18 . 1 1 65 65 ARG CA C 65 59.090 59.090 56.919 2.171 18987 10781 1 18 . 1 1 65 65 ARG CB C 65 30.160 30.160 29.726 0.434 18987 10782 1 18 . 1 1 65 65 ARG H H 65 7.358 7.358 7.792 -0.434 18987 10783 1 18 . 1 1 66 66 GLU N N 66 123.063 123.063 120.769 2.294 18987 10784 1 18 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.211 -0.294 18987 10785 1 18 . 1 1 66 66 GLU C C 66 178.626 178.626 177.534 1.092 18987 10786 1 18 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.589 0.861 18987 10787 1 18 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.761 -0.071 18987 10788 1 18 . 1 1 66 66 GLU H H 66 8.789 8.789 7.816 0.973 18987 10789 1 18 . 1 1 67 67 LEU N N 67 115.817 115.817 117.020 -1.203 18987 10790 1 18 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.394 -0.264 18987 10791 1 18 . 1 1 67 67 LEU C C 67 176.171 176.171 175.924 0.247 18987 10792 1 18 . 1 1 67 67 LEU CA C 67 54.750 54.750 54.552 0.198 18987 10793 1 18 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.349 -0.329 18987 10794 1 18 . 1 1 67 67 LEU H H 67 7.907 7.907 7.844 0.063 18987 10795 1 18 . 1 1 68 68 ASP N N 68 118.063 118.063 114.452 3.611 18987 10796 1 18 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.150 0.264 18987 10797 1 18 . 1 1 68 68 ASP C C 68 177.521 177.521 176.777 0.744 18987 10798 1 18 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.673 -0.273 18987 10799 1 18 . 1 1 68 68 ASP CB C 68 39.640 39.640 38.326 1.314 18987 10800 1 18 . 1 1 68 68 ASP H H 68 7.878 7.878 7.942 -0.064 18987 10801 1 18 . 1 1 69 69 LEU N N 69 115.724 115.724 118.431 -2.707 18987 10802 1 18 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.713 -0.274 18987 10803 1 18 . 1 1 69 69 LEU C C 69 177.584 177.584 178.323 -0.739 18987 10804 1 18 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.405 0.075 18987 10805 1 18 . 1 1 69 69 LEU CB C 69 38.700 38.700 40.950 -2.250 18987 10806 1 18 . 1 1 69 69 LEU H H 69 7.285 7.285 7.489 -0.204 18987 10807 1 18 . 1 1 70 70 LYS N N 70 119.751 119.751 118.394 1.357 18987 10808 1 18 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.623 0.338 18987 10809 1 18 . 1 1 70 70 LYS C C 70 177.903 177.903 178.518 -0.615 18987 10810 1 18 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.567 0.913 18987 10811 1 18 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.556 0.424 18987 10812 1 18 . 1 1 70 70 LYS H H 70 8.601 8.601 7.357 1.244 18987 10813 1 18 . 1 1 71 71 ASN N N 71 113.386 113.386 117.173 -3.787 18987 10814 1 18 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.437 0.289 18987 10815 1 18 . 1 1 71 71 ASN C C 71 176.808 176.808 177.061 -0.253 18987 10816 1 18 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.688 -1.318 18987 10817 1 18 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.145 1.815 18987 10818 1 18 . 1 1 71 71 ASN H H 71 6.965 6.965 7.803 -0.839 18987 10819 1 18 . 1 1 72 72 LYS N N 72 118.475 118.475 118.514 -0.039 18987 10820 1 18 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.228 -0.079 18987 10821 1 18 . 1 1 72 72 LYS C C 72 178.849 178.849 177.968 0.881 18987 10822 1 18 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.761 -0.841 18987 10823 1 18 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.634 1.396 18987 10824 1 18 . 1 1 72 72 LYS H H 72 8.113 8.113 7.523 0.590 18987 10825 1 18 . 1 1 73 73 LEU N N 73 120.458 120.458 120.356 0.102 18987 10826 1 18 . 1 1 73 73 LEU HA H 73 3.599 3.599 3.916 -0.317 18987 10827 1 18 . 1 1 73 73 LEU C C 73 178.126 178.126 178.379 -0.253 18987 10828 1 18 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.326 1.504 18987 10829 1 18 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.496 -0.596 18987 10830 1 18 . 1 1 73 73 LEU H H 73 8.549 8.549 8.109 0.440 18987 10831 1 18 . 1 1 74 74 GLN N N 74 112.719 112.719 115.800 -3.081 18987 10832 1 18 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.091 0.087 18987 10833 1 18 . 1 1 74 74 GLN C C 74 176.883 176.883 177.267 -0.384 18987 10834 1 18 . 1 1 74 74 GLN CA C 74 57.250 57.250 58.109 -0.859 18987 10835 1 18 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.542 -0.112 18987 10836 1 18 . 1 1 74 74 GLN H H 74 7.918 7.918 7.778 0.140 18987 10837 1 18 . 1 1 75 75 THR N N 75 108.336 108.336 113.473 -5.137 18987 10838 1 18 . 1 1 75 75 THR HA H 75 4.410 4.410 4.406 0.004 18987 10839 1 18 . 1 1 75 75 THR C C 75 174.619 174.619 174.396 0.223 18987 10840 1 18 . 1 1 75 75 THR CA C 75 61.760 61.760 61.668 0.092 18987 10841 1 18 . 1 1 75 75 THR CB C 75 69.950 69.950 69.976 -0.026 18987 10842 1 18 . 1 1 75 75 THR H H 75 7.620 7.620 7.619 0.001 18987 10843 1 18 . 1 1 76 76 LEU N N 76 122.754 122.754 119.941 2.813 18987 10844 1 18 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.704 -0.216 18987 10845 1 18 . 1 1 76 76 LEU C C 76 177.234 177.234 176.221 1.013 18987 10846 1 18 . 1 1 76 76 LEU CA C 76 54.190 54.190 53.323 0.867 18987 10847 1 18 . 1 1 76 76 LEU CB C 76 44.040 44.040 42.410 1.630 18987 10848 1 18 . 1 1 76 76 LEU H H 76 7.191 7.191 7.742 -0.551 18987 10849 1 18 . 1 1 77 77 SER N N 77 119.431 119.431 114.512 4.919 18987 10850 1 18 . 1 1 77 77 SER HA H 77 4.465 4.465 4.586 -0.121 18987 10851 1 18 . 1 1 77 77 SER C C 77 175.320 175.320 175.130 0.190 18987 10852 1 18 . 1 1 77 77 SER CA C 77 57.360 57.360 57.523 -0.163 18987 10853 1 18 . 1 1 77 77 SER CB C 77 65.080 65.080 64.772 0.308 18987 10854 1 18 . 1 1 77 77 SER H H 77 9.367 9.367 8.256 1.111 18987 10855 1 18 . 1 1 78 78 ASP N N 78 122.766 122.766 123.289 -0.523 18987 10856 1 18 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.362 -0.167 18987 10857 1 18 . 1 1 78 78 ASP C C 78 178.211 178.211 178.073 0.138 18987 10858 1 18 . 1 1 78 78 ASP CA C 78 58.470 58.470 58.296 0.174 18987 10859 1 18 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.546 -1.086 18987 10860 1 18 . 1 1 78 78 ASP H H 78 9.055 9.055 8.943 0.112 18987 10861 1 18 . 1 1 79 79 ASP N N 79 117.917 117.917 118.778 -0.861 18987 10862 1 18 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.379 -0.104 18987 10863 1 18 . 1 1 79 79 ASP C C 79 179.179 179.179 178.321 0.858 18987 10864 1 18 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.989 0.011 18987 10865 1 18 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.509 -0.199 18987 10866 1 18 . 1 1 79 79 ASP H H 79 8.245 8.245 8.889 -0.644 18987 10867 1 18 . 1 1 80 80 GLU N N 80 120.229 120.229 119.172 1.057 18987 10868 1 18 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.289 -0.372 18987 10869 1 18 . 1 1 80 80 GLU C C 80 180.369 180.369 178.847 1.522 18987 10870 1 18 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.622 0.678 18987 10871 1 18 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.679 1.241 18987 10872 1 18 . 1 1 80 80 GLU H H 80 7.732 7.732 7.655 0.077 18987 10873 1 18 . 1 1 81 81 LYS N N 81 120.163 120.163 120.704 -0.541 18987 10874 1 18 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.329 -0.483 18987 10875 1 18 . 1 1 81 81 LYS C C 81 177.956 177.956 179.166 -1.210 18987 10876 1 18 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.733 1.207 18987 10877 1 18 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.627 0.993 18987 10878 1 18 . 1 1 81 81 LYS H H 81 8.340 8.340 7.534 0.806 18987 10879 1 18 . 1 1 82 82 LEU N N 82 117.478 117.478 119.331 -1.853 18987 10880 1 18 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.676 -0.003 18987 10881 1 18 . 1 1 82 82 LEU C C 82 178.870 178.870 178.924 -0.054 18987 10882 1 18 . 1 1 82 82 LEU CA C 82 57.770 57.770 58.172 -0.402 18987 10883 1 18 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.619 0.131 18987 10884 1 18 . 1 1 82 82 LEU H H 82 8.161 8.161 8.326 -0.165 18987 10885 1 18 . 1 1 83 83 GLU N N 83 119.824 119.824 119.426 0.398 18987 10886 1 18 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.958 -0.218 18987 10887 1 18 . 1 1 83 83 GLU C C 83 179.009 179.009 179.219 -0.210 18987 10888 1 18 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.474 0.006 18987 10889 1 18 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.488 -0.148 18987 10890 1 18 . 1 1 83 83 GLU H H 83 7.999 7.999 7.825 0.174 18987 10891 1 18 . 1 1 84 84 LEU N N 84 119.684 119.684 119.791 -0.107 18987 10892 1 18 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.948 -0.006 18987 10893 1 18 . 1 1 84 84 LEU C C 84 179.264 179.264 179.159 0.105 18987 10894 1 18 . 1 1 84 84 LEU CA C 84 58.090 58.090 57.815 0.275 18987 10895 1 18 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.830 0.481 18987 10896 1 18 . 1 1 84 84 LEU H H 84 7.470 7.470 7.753 -0.283 18987 10897 1 18 . 1 1 85 85 LEU N N 85 119.086 119.086 118.465 0.621 18987 10898 1 18 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.645 -0.261 18987 10899 1 18 . 1 1 85 85 LEU C C 85 176.064 176.064 179.000 -2.936 18987 10900 1 18 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.246 0.614 18987 10901 1 18 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.020 1.340 18987 10902 1 18 . 1 1 85 85 LEU H H 85 7.726 7.726 7.659 0.067 18987 10903 1 18 . 1 1 86 86 SER N N 86 105.708 105.708 112.433 -6.725 18987 10904 1 18 . 1 1 86 86 SER HA H 86 4.283 4.283 4.768 -0.485 18987 10905 1 18 . 1 1 86 86 SER C C 86 176.351 176.351 176.146 0.205 18987 10906 1 18 . 1 1 86 86 SER CA C 86 60.380 60.380 60.212 0.169 18987 10907 1 18 . 1 1 86 86 SER CB C 86 64.400 64.400 63.347 1.053 18987 10908 1 18 . 1 1 86 86 SER H H 86 7.617 7.617 7.839 -0.222 18987 10909 1 18 . 1 1 87 87 SER N N 87 115.392 115.392 115.421 -0.029 18987 10910 1 18 . 1 1 87 87 SER HA H 87 4.345 4.345 4.457 -0.112 18987 10911 1 18 . 1 1 87 87 SER C C 87 174.534 174.534 174.267 0.267 18987 10912 1 18 . 1 1 87 87 SER CA C 87 59.820 59.820 60.275 -0.455 18987 10913 1 18 . 1 1 87 87 SER CB C 87 64.340 64.340 64.000 0.340 18987 10914 1 18 . 1 1 87 87 SER H H 87 7.644 7.644 7.731 -0.087 18987 10915 1 18 . 1 1 88 88 ASP N N 88 120.295 120.295 119.491 0.804 18987 10916 1 18 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.769 -0.165 18987 10917 1 18 . 1 1 88 88 ASP C C 88 175.618 175.618 176.177 -0.559 18987 10918 1 18 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.635 0.375 18987 10919 1 18 . 1 1 88 88 ASP CB C 88 41.020 41.020 43.299 -2.279 18987 10920 1 18 . 1 1 88 88 ASP H H 88 7.104 7.104 7.555 -0.451 18987 10921 1 18 . 1 1 89 89 GLY N N 89 111.841 111.841 111.894 -0.053 18987 10922 1 18 . 1 1 89 89 GLY C C 89 176.171 176.171 175.210 0.961 18987 10923 1 18 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.724 0.956 18987 10924 1 18 . 1 1 89 89 GLY H H 89 9.325 9.325 8.693 0.632 18987 10925 1 18 . 1 1 90 90 MET N N 90 117.877 117.877 117.704 0.173 18987 10926 1 18 . 1 1 90 90 MET HA H 90 4.075 4.075 4.340 -0.265 18987 10927 1 18 . 1 1 90 90 MET C C 90 178.456 178.456 177.916 0.540 18987 10928 1 18 . 1 1 90 90 MET CA C 90 56.400 56.400 56.467 -0.067 18987 10929 1 18 . 1 1 90 90 MET CB C 90 30.540 30.540 32.343 -1.803 18987 10930 1 18 . 1 1 90 90 MET H H 90 8.593 8.593 7.464 1.129 18987 10931 1 18 . 1 1 91 91 LEU N N 91 118.027 118.027 117.472 0.555 18987 10932 1 18 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.290 -0.011 18987 10933 1 18 . 1 1 91 91 LEU C C 91 176.298 176.298 176.814 -0.516 18987 10934 1 18 . 1 1 91 91 LEU CA C 91 55.460 55.460 55.757 -0.297 18987 10935 1 18 . 1 1 91 91 LEU CB C 91 43.130 43.130 41.894 1.236 18987 10936 1 18 . 1 1 91 91 LEU H H 91 8.224 8.224 7.903 0.321 18987 10937 1 18 . 1 1 92 92 VAL N N 92 120.960 120.960 117.423 3.537 18987 10938 1 18 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.302 -0.301 18987 10939 1 18 . 1 1 92 92 VAL C C 92 175.990 175.990 176.583 -0.593 18987 10940 1 18 . 1 1 92 92 VAL CA C 92 61.150 61.150 60.450 0.701 18987 10941 1 18 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.328 -0.058 18987 10942 1 18 . 1 1 92 92 VAL H H 92 7.093 7.093 7.121 -0.028 18987 10943 1 18 . 1 1 93 93 LYS N N 93 130.687 130.687 124.667 6.020 18987 10944 1 18 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.154 -0.448 18987 10945 1 18 . 1 1 93 93 LYS C C 93 171.855 171.855 177.070 -5.215 18987 10946 1 18 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.375 1.545 18987 10947 1 18 . 1 1 93 93 LYS CB C 93 32.800 32.800 31.881 0.919 18987 10948 1 18 . 1 1 93 93 LYS H H 93 8.442 8.442 8.250 0.192 18987 10949 1 18 . 1 1 94 94 ARG N N 94 115.791 115.791 122.954 -7.163 18987 10950 1 18 . 1 1 94 94 ARG H H 94 7.676 7.676 8.622 -0.946 18987 10951 1 18 . 1 1 95 95 PRO C C 95 175.108 175.108 175.365 -0.257 18987 10952 1 18 . 1 1 96 96 LEU N N 96 128.494 128.494 126.022 2.472 18987 10953 1 18 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.321 -0.340 18987 10954 1 18 . 1 1 96 96 LEU C C 96 173.216 173.216 174.157 -0.941 18987 10955 1 18 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.551 1.319 18987 10956 1 18 . 1 1 96 96 LEU CB C 96 43.660 43.660 46.833 -3.173 18987 10957 1 18 . 1 1 96 96 LEU H H 96 8.246 8.246 8.413 -0.167 18987 10958 1 18 . 1 1 97 97 ALA N N 97 131.035 131.035 126.739 4.296 18987 10959 1 18 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.440 0.430 18987 10960 1 18 . 1 1 97 97 ALA C C 97 174.938 174.938 175.011 -0.073 18987 10961 1 18 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.074 -1.224 18987 10962 1 18 . 1 1 97 97 ALA CB C 97 20.070 20.070 22.218 -2.148 18987 10963 1 18 . 1 1 97 97 ALA H H 97 8.839 8.839 9.022 -0.183 18987 10964 1 18 . 1 1 98 98 VAL N N 98 119.830 119.830 124.398 -4.568 18987 10965 1 18 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.440 0.116 18987 10966 1 18 . 1 1 98 98 VAL C C 98 173.896 173.896 173.549 0.347 18987 10967 1 18 . 1 1 98 98 VAL CA C 98 59.270 59.270 59.804 -0.534 18987 10968 1 18 . 1 1 98 98 VAL CB C 98 35.970 35.970 36.446 -0.476 18987 10969 1 18 . 1 1 98 98 VAL H H 98 8.824 8.824 8.656 0.168 18987 10970 1 18 . 1 1 99 99 MET N N 99 127.537 127.537 124.284 3.253 18987 10971 1 18 . 1 1 99 99 MET HA H 99 4.430 4.430 4.959 -0.529 18987 10972 1 18 . 1 1 99 99 MET CA C 99 56.710 56.710 54.115 2.595 18987 10973 1 18 . 1 1 99 99 MET CB C 99 31.050 31.050 35.718 -4.668 18987 10974 1 18 . 1 1 99 99 MET H H 99 8.873 8.873 9.004 -0.131 18987 10975 1 18 . 1 1 100 100 GLY C C 100 173.024 173.024 174.007 -0.983 18987 10976 1 18 . 1 1 100 100 GLY CA C 100 47.970 47.970 46.221 1.750 18987 10977 1 18 . 1 1 101 101 ASP N N 101 124.308 124.308 117.431 6.877 18987 10978 1 18 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.696 -0.497 18987 10979 1 18 . 1 1 101 101 ASP C C 101 175.172 175.172 175.675 -0.503 18987 10980 1 18 . 1 1 101 101 ASP CA C 101 53.310 53.310 53.567 -0.257 18987 10981 1 18 . 1 1 101 101 ASP CB C 101 40.170 40.170 41.533 -1.363 18987 10982 1 18 . 1 1 101 101 ASP H H 101 8.257 8.257 8.447 -0.190 18987 10983 1 18 . 1 1 102 102 LYS N N 102 121.002 121.002 119.951 1.051 18987 10984 1 18 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.628 -0.222 18987 10985 1 18 . 1 1 102 102 LYS C C 102 174.257 174.257 174.172 0.085 18987 10986 1 18 . 1 1 102 102 LYS CA C 102 55.370 55.370 55.547 -0.177 18987 10987 1 18 . 1 1 102 102 LYS CB C 102 36.230 36.230 35.195 1.035 18987 10988 1 18 . 1 1 102 102 LYS H H 102 8.108 8.108 7.746 0.362 18987 10989 1 18 . 1 1 103 103 ILE N N 103 118.488 118.488 120.939 -2.451 18987 10990 1 18 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.238 0.621 18987 10991 1 18 . 1 1 103 103 ILE C C 103 173.652 173.652 173.644 0.008 18987 10992 1 18 . 1 1 103 103 ILE CA C 103 58.620 58.620 59.890 -1.270 18987 10993 1 18 . 1 1 103 103 ILE CB C 103 42.250 42.250 42.504 -0.254 18987 10994 1 18 . 1 1 103 103 ILE H H 103 8.038 8.038 8.101 -0.062 18987 10995 1 18 . 1 1 104 104 THR N N 104 115.441 115.441 117.842 -2.401 18987 10996 1 18 . 1 1 104 104 THR HA H 104 4.524 4.524 4.660 -0.136 18987 10997 1 18 . 1 1 104 104 THR C C 104 173.503 173.503 172.494 1.009 18987 10998 1 18 . 1 1 104 104 THR CA C 104 60.660 60.660 60.807 -0.147 18987 10999 1 18 . 1 1 104 104 THR CB C 104 72.460 72.460 71.876 0.584 18987 11000 1 18 . 1 1 104 104 THR H H 104 9.360 9.360 9.275 0.085 18987 11001 1 18 . 1 1 105 105 LEU N N 105 123.352 123.352 126.976 -3.624 18987 11002 1 18 . 1 1 105 105 LEU HA H 105 5.023 5.023 4.644 0.379 18987 11003 1 18 . 1 1 105 105 LEU C C 105 178.860 178.860 178.123 0.737 18987 11004 1 18 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.569 -1.528 18987 11005 1 18 . 1 1 105 105 LEU CB C 105 44.290 44.290 43.514 0.776 18987 11006 1 18 . 1 1 105 105 LEU H H 105 8.857 8.857 8.528 0.329 18987 11007 1 18 . 1 1 106 106 GLY N N 106 108.363 108.363 112.911 -4.548 18987 11008 1 18 . 1 1 106 106 GLY C C 106 172.100 172.100 173.816 -1.716 18987 11009 1 18 . 1 1 106 106 GLY CA C 106 44.870 44.870 44.828 0.042 18987 11010 1 18 . 1 1 106 106 GLY H H 106 8.241 8.241 8.559 -0.318 18987 11011 1 18 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.624 0.064 18987 11012 1 18 . 1 1 107 107 PHE CA C 107 58.000 58.000 58.028 -0.028 18987 11013 1 18 . 1 1 107 107 PHE CB C 107 41.620 41.620 38.722 2.898 18987 11014 1 18 . 1 1 108 108 LYS N N 108 129.677 129.677 128.544 1.133 18987 11015 1 18 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.195 -0.293 18987 11016 1 18 . 1 1 108 108 LYS CA C 108 54.650 54.650 54.203 0.447 18987 11017 1 18 . 1 1 108 108 LYS CB C 108 34.130 34.130 31.425 2.705 18987 11018 1 18 . 1 1 108 108 LYS H H 108 7.351 7.351 7.205 0.146 18987 11019 1 18 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.283 -0.323 18987 11020 1 18 . 1 1 109 109 GLU C C 109 177.255 177.255 176.719 0.536 18987 11021 1 18 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.923 0.917 18987 11022 1 18 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.227 0.073 18987 11023 1 18 . 1 1 110 110 ASP N N 110 115.831 115.831 118.471 -2.640 18987 11024 1 18 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.314 -0.157 18987 11025 1 18 . 1 1 110 110 ASP C C 110 178.456 178.456 178.161 0.295 18987 11026 1 18 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.696 -0.785 18987 11027 1 18 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.338 -1.128 18987 11028 1 18 . 1 1 110 110 ASP H H 110 8.654 8.654 8.412 0.242 18987 11029 1 18 . 1 1 111 111 GLN N N 111 119.458 119.458 116.975 2.483 18987 11030 1 18 . 1 1 111 111 GLN HA H 111 4.081 4.081 4.012 0.069 18987 11031 1 18 . 1 1 111 111 GLN C C 111 179.189 179.189 178.412 0.777 18987 11032 1 18 . 1 1 111 111 GLN CA C 111 58.140 58.140 57.961 0.179 18987 11033 1 18 . 1 1 111 111 GLN CB C 111 28.850 28.850 27.932 0.918 18987 11034 1 18 . 1 1 111 111 GLN H H 111 6.993 6.993 8.367 -1.374 18987 11035 1 18 . 1 1 112 112 TYR N N 112 124.973 124.973 120.174 4.799 18987 11036 1 18 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.267 -0.340 18987 11037 1 18 . 1 1 112 112 TYR C C 112 178.254 178.254 177.844 0.410 18987 11038 1 18 . 1 1 112 112 TYR CA C 112 62.690 62.690 60.151 2.539 18987 11039 1 18 . 1 1 112 112 TYR CB C 112 36.660 36.660 37.605 -0.945 18987 11040 1 18 . 1 1 112 112 TYR H H 112 8.289 8.289 7.994 0.295 18987 11041 1 18 . 1 1 113 113 LYS N N 113 118.329 118.329 118.926 -0.597 18987 11042 1 18 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.204 -0.291 18987 11043 1 18 . 1 1 113 113 LYS C C 113 178.296 178.296 178.083 0.213 18987 11044 1 18 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.677 1.403 18987 11045 1 18 . 1 1 113 113 LYS CB C 113 32.810 32.810 32.057 0.753 18987 11046 1 18 . 1 1 113 113 LYS H H 113 8.310 8.310 7.906 0.404 18987 11047 1 18 . 1 1 114 114 GLU N N 114 115.605 115.605 118.649 -3.044 18987 11048 1 18 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.292 -0.396 18987 11049 1 18 . 1 1 114 114 GLU C C 114 177.308 177.308 177.707 -0.399 18987 11050 1 18 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.278 0.032 18987 11051 1 18 . 1 1 114 114 GLU CB C 114 30.140 30.140 29.908 0.232 18987 11052 1 18 . 1 1 114 114 GLU H H 114 7.603 7.603 7.931 -0.328 18987 11053 1 18 . 1 1 115 115 THR N N 115 112.256 112.256 113.806 -1.550 18987 11054 1 18 . 1 1 115 115 THR HA H 115 3.666 3.666 4.143 -0.477 18987 11055 1 18 . 1 1 115 115 THR C C 115 174.672 174.672 175.543 -0.871 18987 11056 1 18 . 1 1 115 115 THR CA C 115 65.710 65.710 64.560 1.150 18987 11057 1 18 . 1 1 115 115 THR CB C 115 68.700 68.700 68.914 -0.214 18987 11058 1 18 . 1 1 115 115 THR H H 115 7.591 7.591 7.684 -0.093 18987 11059 1 18 . 1 1 116 116 TRP N N 116 116.495 116.495 120.172 -3.677 18987 11060 1 18 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.539 0.764 18987 11061 1 18 . 1 1 116 116 TRP C C 116 176.553 176.553 176.631 -0.078 18987 11062 1 18 . 1 1 116 116 TRP CA C 116 55.620 55.620 58.668 -3.048 18987 11063 1 18 . 1 1 116 116 TRP CB C 116 31.430 31.430 29.885 1.545 18987 11064 1 18 . 1 1 116 116 TRP H H 116 7.661 7.661 7.450 0.211 18987 11065 1 18 . 1 1 117 117 LEU N N 117 116.588 116.588 115.802 0.786 18987 11066 1 18 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.486 0.116 18987 11067 1 18 . 1 1 117 117 LEU C C 117 175.788 175.788 176.532 -0.744 18987 11068 1 18 . 1 1 117 117 LEU CA C 117 53.860 53.860 53.890 -0.030 18987 11069 1 18 . 1 1 117 117 LEU CB C 117 40.880 40.880 43.150 -2.270 18987 11070 1 18 . 1 1 117 117 LEU H H 117 6.922 6.922 7.363 -0.441 18987 11071 1 19 . 1 1 2 2 ILE N N 2 124.348 124.348 122.293 2.055 18987 11072 1 19 . 1 1 2 2 ILE HA H 2 3.576 3.576 3.950 -0.374 18987 11073 1 19 . 1 1 2 2 ILE C C 2 175.884 175.884 175.932 -0.048 18987 11074 1 19 . 1 1 2 2 ILE CA C 2 62.790 62.790 62.071 0.719 18987 11075 1 19 . 1 1 2 2 ILE CB C 2 40.400 40.400 36.925 3.475 18987 11076 1 19 . 1 1 2 2 ILE H H 2 7.539 7.539 8.174 -0.635 18987 11077 1 19 . 1 1 3 3 LYS N N 3 128.600 128.600 128.379 0.221 18987 11078 1 19 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.084 0.251 18987 11079 1 19 . 1 1 3 3 LYS C C 3 173.322 173.322 175.811 -2.489 18987 11080 1 19 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.812 1.818 18987 11081 1 19 . 1 1 3 3 LYS CB C 3 32.800 32.800 30.417 2.383 18987 11082 1 19 . 1 1 3 3 LYS H H 3 8.524 8.524 8.493 0.031 18987 11083 1 19 . 1 1 4 4 PHE N N 4 128.560 128.560 127.705 0.855 18987 11084 1 19 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.755 0.080 18987 11085 1 19 . 1 1 4 4 PHE C C 4 172.546 172.546 173.971 -1.425 18987 11086 1 19 . 1 1 4 4 PHE CA C 4 56.570 56.570 55.860 0.710 18987 11087 1 19 . 1 1 4 4 PHE CB C 4 42.600 42.600 38.867 3.733 18987 11088 1 19 . 1 1 4 4 PHE H H 4 8.412 8.412 8.015 0.397 18987 11089 1 19 . 1 1 5 5 TYR N N 5 125.785 125.785 127.345 -1.560 18987 11090 1 19 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.294 -0.168 18987 11091 1 19 . 1 1 5 5 TYR C C 5 175.852 175.852 175.263 0.589 18987 11092 1 19 . 1 1 5 5 TYR CA C 5 57.980 57.980 58.080 -0.100 18987 11093 1 19 . 1 1 5 5 TYR CB C 5 38.550 38.550 39.188 -0.638 18987 11094 1 19 . 1 1 5 5 TYR H H 5 9.313 9.313 8.359 0.954 18987 11095 1 19 . 1 1 6 6 GLN N N 6 117.436 117.436 119.336 -1.900 18987 11096 1 19 . 1 1 6 6 GLN HA H 6 4.622 4.622 4.794 -0.172 18987 11097 1 19 . 1 1 6 6 GLN C C 6 171.951 171.951 173.472 -1.521 18987 11098 1 19 . 1 1 6 6 GLN CA C 6 53.430 53.430 53.556 -0.126 18987 11099 1 19 . 1 1 6 6 GLN CB C 6 30.490 30.490 32.508 -2.018 18987 11100 1 19 . 1 1 6 6 GLN H H 6 9.110 9.110 8.517 0.593 18987 11101 1 19 . 1 1 7 7 TYR N N 7 116.309 116.309 120.877 -4.568 18987 11102 1 19 . 1 1 7 7 TYR HA H 7 4.953 4.953 5.109 -0.156 18987 11103 1 19 . 1 1 7 7 TYR CA C 7 56.130 56.130 58.508 -2.378 18987 11104 1 19 . 1 1 7 7 TYR CB C 7 42.860 42.860 40.255 2.606 18987 11105 1 19 . 1 1 7 7 TYR H H 7 7.075 7.075 8.500 -1.425 18987 11106 1 19 . 1 1 12 12 THR HA H 12 3.868 3.868 3.931 -0.063 18987 11107 1 19 . 1 1 12 12 THR C C 12 176.203 176.203 176.325 -0.122 18987 11108 1 19 . 1 1 12 12 THR CA C 12 65.930 65.930 66.315 -0.385 18987 11109 1 19 . 1 1 12 12 THR CB C 12 68.630 68.630 68.781 -0.151 18987 11110 1 19 . 1 1 13 13 CYS N N 13 116.721 116.721 119.937 -3.216 18987 11111 1 19 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.320 -0.089 18987 11112 1 19 . 1 1 13 13 CYS C C 13 174.938 174.938 176.216 -1.278 18987 11113 1 19 . 1 1 13 13 CYS CA C 13 63.790 63.790 63.416 0.374 18987 11114 1 19 . 1 1 13 13 CYS CB C 13 33.590 33.590 27.496 6.094 18987 11115 1 19 . 1 1 13 13 CYS H H 13 8.441 8.441 7.787 0.654 18987 11116 1 19 . 1 1 14 14 LYS N N 14 119.429 119.429 119.300 0.129 18987 11117 1 19 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.104 -0.067 18987 11118 1 19 . 1 1 14 14 LYS C C 14 179.370 179.370 178.822 0.548 18987 11119 1 19 . 1 1 14 14 LYS CA C 14 59.150 59.150 59.071 0.079 18987 11120 1 19 . 1 1 14 14 LYS CB C 14 32.270 32.270 31.784 0.486 18987 11121 1 19 . 1 1 14 14 LYS H H 14 7.805 7.805 8.213 -0.408 18987 11122 1 19 . 1 1 15 15 LYS N N 15 119.379 119.379 119.443 -0.064 18987 11123 1 19 . 1 1 15 15 LYS HA H 15 3.677 3.677 4.049 -0.372 18987 11124 1 19 . 1 1 15 15 LYS C C 15 177.999 177.999 178.902 -0.903 18987 11125 1 19 . 1 1 15 15 LYS CA C 15 59.270 59.270 58.452 0.818 18987 11126 1 19 . 1 1 15 15 LYS CB C 15 32.630 32.630 31.637 0.994 18987 11127 1 19 . 1 1 15 15 LYS H H 15 7.612 7.612 8.053 -0.441 18987 11128 1 19 . 1 1 16 16 ALA N N 16 122.940 122.940 121.629 1.311 18987 11129 1 19 . 1 1 16 16 ALA HA H 16 2.906 2.906 4.448 -1.542 18987 11130 1 19 . 1 1 16 16 ALA C C 16 177.999 177.999 179.333 -1.334 18987 11131 1 19 . 1 1 16 16 ALA CA C 16 54.370 54.370 55.190 -0.820 18987 11132 1 19 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.413 0.857 18987 11133 1 19 . 1 1 16 16 ALA H H 16 7.346 7.346 8.126 -0.780 18987 11134 1 19 . 1 1 17 17 ALA N N 17 120.093 120.093 120.103 -0.010 18987 11135 1 19 . 1 1 17 17 ALA HA H 17 2.965 2.965 3.142 -0.177 18987 11136 1 19 . 1 1 17 17 ALA C C 17 178.466 178.466 179.226 -0.760 18987 11137 1 19 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.516 0.354 18987 11138 1 19 . 1 1 17 17 ALA CB C 17 17.270 17.270 18.102 -0.832 18987 11139 1 19 . 1 1 17 17 ALA H H 17 7.959 7.959 7.937 0.022 18987 11140 1 19 . 1 1 18 18 LYS N N 18 115.894 115.894 120.264 -4.370 18987 11141 1 19 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.012 -0.047 18987 11142 1 19 . 1 1 18 18 LYS C C 18 178.647 178.647 178.356 0.291 18987 11143 1 19 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.815 0.096 18987 11144 1 19 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.108 0.071 18987 11145 1 19 . 1 1 18 18 LYS H H 18 7.565 7.565 7.749 -0.184 18987 11146 1 19 . 1 1 19 19 PHE N N 19 120.854 120.854 119.729 1.125 18987 11147 1 19 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.298 -0.059 18987 11148 1 19 . 1 1 19 19 PHE C C 19 176.925 176.925 177.604 -0.679 18987 11149 1 19 . 1 1 19 19 PHE CA C 19 61.730 61.730 61.603 0.127 18987 11150 1 19 . 1 1 19 19 PHE CB C 19 39.140 39.140 39.305 -0.165 18987 11151 1 19 . 1 1 19 19 PHE H H 19 7.496 7.496 7.873 -0.377 18987 11152 1 19 . 1 1 20 20 LEU N N 20 118.913 118.913 118.659 0.254 18987 11153 1 19 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.572 0.326 18987 11154 1 19 . 1 1 20 20 LEU C C 20 179.657 179.657 178.378 1.279 18987 11155 1 19 . 1 1 20 20 LEU CA C 20 58.330 58.330 57.832 0.498 18987 11156 1 19 . 1 1 20 20 LEU CB C 20 40.460 40.460 40.935 -0.475 18987 11157 1 19 . 1 1 20 20 LEU H H 20 8.012 8.012 7.861 0.151 18987 11158 1 19 . 1 1 21 21 ASP N N 21 118.448 118.448 118.245 0.203 18987 11159 1 19 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.325 0.131 18987 11160 1 19 . 1 1 21 21 ASP C C 21 180.358 180.358 178.627 1.731 18987 11161 1 19 . 1 1 21 21 ASP CA C 21 57.680 57.680 56.994 0.686 18987 11162 1 19 . 1 1 21 21 ASP CB C 21 40.520 40.520 40.912 -0.392 18987 11163 1 19 . 1 1 21 21 ASP H H 21 8.814 8.814 7.837 0.977 18987 11164 1 19 . 1 1 22 22 GLU N N 22 122.661 122.661 119.511 3.150 18987 11165 1 19 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.036 -0.294 18987 11166 1 19 . 1 1 22 22 GLU C C 22 178.371 178.371 178.246 0.125 18987 11167 1 19 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.641 0.599 18987 11168 1 19 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.448 -0.668 18987 11169 1 19 . 1 1 22 22 GLU H H 22 8.544 8.544 7.889 0.655 18987 11170 1 19 . 1 1 23 23 TYR N N 23 114.768 114.768 116.269 -1.501 18987 11171 1 19 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.388 -0.138 18987 11172 1 19 . 1 1 23 23 TYR C C 23 175.724 175.724 176.003 -0.279 18987 11173 1 19 . 1 1 23 23 TYR CA C 23 59.070 59.070 58.735 0.335 18987 11174 1 19 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.714 0.306 18987 11175 1 19 . 1 1 23 23 TYR H H 23 7.522 7.522 7.672 -0.150 18987 11176 1 19 . 1 1 24 24 GLY N N 24 110.449 110.449 107.649 2.800 18987 11177 1 19 . 1 1 24 24 GLY C C 24 174.534 174.534 174.704 -0.170 18987 11178 1 19 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.297 1.823 18987 11179 1 19 . 1 1 24 24 GLY H H 24 7.792 7.792 7.375 0.417 18987 11180 1 19 . 1 1 25 25 VAL N N 25 122.714 122.714 119.978 2.736 18987 11181 1 19 . 1 1 25 25 VAL HA H 25 3.959 3.959 3.975 -0.016 18987 11182 1 19 . 1 1 25 25 VAL C C 25 176.266 176.266 176.063 0.203 18987 11183 1 19 . 1 1 25 25 VAL CA C 25 62.000 62.000 62.443 -0.443 18987 11184 1 19 . 1 1 25 25 VAL CB C 25 32.480 32.480 31.445 1.035 18987 11185 1 19 . 1 1 25 25 VAL H H 25 8.393 8.393 8.073 0.320 18987 11186 1 19 . 1 1 26 26 SER N N 26 123.498 123.498 124.577 -1.079 18987 11187 1 19 . 1 1 26 26 SER HA H 26 4.351 4.351 4.389 -0.038 18987 11188 1 19 . 1 1 26 26 SER C C 26 173.513 173.513 173.548 -0.035 18987 11189 1 19 . 1 1 26 26 SER CA C 26 59.040 59.040 58.532 0.508 18987 11190 1 19 . 1 1 26 26 SER CB C 26 63.530 63.530 61.680 1.850 18987 11191 1 19 . 1 1 26 26 SER H H 26 8.559 8.559 8.613 -0.054 18987 11192 1 19 . 1 1 27 27 TYR N N 27 119.756 119.756 122.197 -2.441 18987 11193 1 19 . 1 1 27 27 TYR HA H 27 4.983 4.983 5.083 -0.100 18987 11194 1 19 . 1 1 27 27 TYR C C 27 172.355 172.355 174.879 -2.524 18987 11195 1 19 . 1 1 27 27 TYR CA C 27 55.750 55.750 54.436 1.314 18987 11196 1 19 . 1 1 27 27 TYR CB C 27 40.730 40.730 40.856 -0.126 18987 11197 1 19 . 1 1 27 27 TYR H H 27 7.838 7.838 7.883 -0.045 18987 11198 1 19 . 1 1 28 28 GLU N N 28 123.126 123.126 120.506 2.620 18987 11199 1 19 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.678 0.050 18987 11200 1 19 . 1 1 28 28 GLU CA C 28 51.420 51.420 52.220 -0.800 18987 11201 1 19 . 1 1 28 28 GLU CB C 28 31.790 31.790 31.140 0.650 18987 11202 1 19 . 1 1 28 28 GLU H H 28 9.006 9.006 8.872 0.134 18987 11203 1 19 . 1 1 29 29 PRO HA H 29 5.619 5.619 4.876 0.743 18987 11204 1 19 . 1 1 29 29 PRO C C 29 177.276 177.276 175.982 1.294 18987 11205 1 19 . 1 1 29 29 PRO CA C 29 61.820 61.820 62.808 -0.988 18987 11206 1 19 . 1 1 29 29 PRO CB C 29 31.890 31.890 30.772 1.118 18987 11207 1 19 . 1 1 30 30 ILE N N 30 127.043 127.043 118.996 8.047 18987 11208 1 19 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.305 -0.201 18987 11209 1 19 . 1 1 30 30 ILE C C 30 174.948 174.948 174.293 0.655 18987 11210 1 19 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.796 1.564 18987 11211 1 19 . 1 1 30 30 ILE CB C 30 42.210 42.210 40.388 1.822 18987 11212 1 19 . 1 1 30 30 ILE H H 30 9.148 9.148 8.031 1.117 18987 11213 1 19 . 1 1 31 31 ASP N N 31 128.946 128.946 124.116 4.830 18987 11214 1 19 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.404 -0.512 18987 11215 1 19 . 1 1 31 31 ASP C C 31 176.373 176.373 177.165 -0.792 18987 11216 1 19 . 1 1 31 31 ASP CA C 31 54.600 54.600 55.902 -1.302 18987 11217 1 19 . 1 1 31 31 ASP CB C 31 42.920 42.920 42.230 0.690 18987 11218 1 19 . 1 1 31 31 ASP H H 31 9.092 9.092 8.896 0.196 18987 11219 1 19 . 1 1 32 32 ILE N N 32 127.576 127.576 126.013 1.563 18987 11220 1 19 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.207 -0.115 18987 11221 1 19 . 1 1 32 32 ILE C C 32 174.013 174.013 176.444 -2.431 18987 11222 1 19 . 1 1 32 32 ILE CA C 32 62.520 62.520 63.346 -0.826 18987 11223 1 19 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.739 2.011 18987 11224 1 19 . 1 1 32 32 ILE H H 32 9.362 9.362 8.885 0.477 18987 11225 1 19 . 1 1 33 33 VAL N N 33 123.498 123.498 118.461 5.037 18987 11226 1 19 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.891 -0.248 18987 11227 1 19 . 1 1 33 33 VAL C C 33 176.819 176.819 177.757 -0.938 18987 11228 1 19 . 1 1 33 33 VAL CA C 33 65.050 65.050 63.622 1.428 18987 11229 1 19 . 1 1 33 33 VAL CB C 33 31.970 31.970 31.153 0.817 18987 11230 1 19 . 1 1 33 33 VAL H H 33 8.445 8.445 8.004 0.441 18987 11231 1 19 . 1 1 34 34 GLN N N 34 119.897 119.897 119.023 0.874 18987 11232 1 19 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.073 -0.120 18987 11233 1 19 . 1 1 34 34 GLN C C 34 176.734 176.734 176.162 0.572 18987 11234 1 19 . 1 1 34 34 GLN CA C 34 57.540 57.540 57.933 -0.393 18987 11235 1 19 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.104 0.756 18987 11236 1 19 . 1 1 34 34 GLN H H 34 8.650 8.650 8.379 0.271 18987 11237 1 19 . 1 1 35 35 HIS N N 35 118.090 118.090 117.113 0.977 18987 11238 1 19 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.911 0.053 18987 11239 1 19 . 1 1 35 35 HIS C C 35 173.758 173.758 173.924 -0.166 18987 11240 1 19 . 1 1 35 35 HIS CA C 35 53.660 53.660 54.507 -0.847 18987 11241 1 19 . 1 1 35 35 HIS CB C 35 29.190 29.190 30.492 -1.302 18987 11242 1 19 . 1 1 35 35 HIS H H 35 8.178 8.178 7.781 0.397 18987 11243 1 19 . 1 1 36 36 THR N N 36 118.794 118.794 119.330 -0.536 18987 11244 1 19 . 1 1 36 36 THR HA H 36 4.142 4.142 4.643 -0.501 18987 11245 1 19 . 1 1 36 36 THR CA C 36 62.080 62.080 61.429 0.651 18987 11246 1 19 . 1 1 36 36 THR CB C 36 70.180 70.180 68.431 1.749 18987 11247 1 19 . 1 1 36 36 THR H H 36 7.468 7.468 7.713 -0.245 18987 11248 1 19 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.341 -0.066 18987 11249 1 19 . 1 1 37 37 PRO C C 37 174.970 174.970 176.687 -1.717 18987 11250 1 19 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.609 0.361 18987 11251 1 19 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.889 -2.459 18987 11252 1 19 . 1 1 38 38 THR N N 38 111.512 111.512 113.144 -1.632 18987 11253 1 19 . 1 1 38 38 THR HA H 38 4.298 4.298 4.386 -0.088 18987 11254 1 19 . 1 1 38 38 THR C C 38 175.756 175.756 176.444 -0.688 18987 11255 1 19 . 1 1 38 38 THR CA C 38 60.700 60.700 61.584 -0.884 18987 11256 1 19 . 1 1 38 38 THR CB C 38 71.560 71.560 70.148 1.412 18987 11257 1 19 . 1 1 38 38 THR H H 38 8.220 8.220 8.360 -0.140 18987 11258 1 19 . 1 1 39 39 ILE N N 39 119.950 119.950 121.334 -1.384 18987 11259 1 19 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.881 -0.204 18987 11260 1 19 . 1 1 39 39 ILE C C 39 177.871 177.871 177.921 -0.050 18987 11261 1 19 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.397 1.703 18987 11262 1 19 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.645 0.495 18987 11263 1 19 . 1 1 39 39 ILE H H 39 8.763 8.763 8.681 0.082 18987 11264 1 19 . 1 1 40 40 ASN N N 40 116.189 116.189 117.874 -1.685 18987 11265 1 19 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.428 -0.079 18987 11266 1 19 . 1 1 40 40 ASN C C 40 178.445 178.445 177.720 0.725 18987 11267 1 19 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.563 -0.233 18987 11268 1 19 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.677 0.263 18987 11269 1 19 . 1 1 40 40 ASN H H 40 8.180 8.180 8.583 -0.403 18987 11270 1 19 . 1 1 41 41 GLU N N 41 121.970 121.970 120.912 1.058 18987 11271 1 19 . 1 1 41 41 GLU HA H 41 3.915 3.915 4.032 -0.117 18987 11272 1 19 . 1 1 41 41 GLU C C 41 180.093 180.093 179.069 1.024 18987 11273 1 19 . 1 1 41 41 GLU CA C 41 59.590 59.590 59.282 0.308 18987 11274 1 19 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.483 0.267 18987 11275 1 19 . 1 1 41 41 GLU H H 41 7.782 7.782 7.696 0.086 18987 11276 1 19 . 1 1 42 42 PHE N N 42 118.929 118.929 119.196 -0.267 18987 11277 1 19 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.110 0.060 18987 11278 1 19 . 1 1 42 42 PHE C C 42 178.488 178.488 177.377 1.111 18987 11279 1 19 . 1 1 42 42 PHE CA C 42 63.020 63.020 62.078 0.942 18987 11280 1 19 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.926 0.304 18987 11281 1 19 . 1 1 42 42 PHE H H 42 8.776 8.776 8.356 0.420 18987 11282 1 19 . 1 1 43 43 LYS N N 43 118.820 118.820 118.231 0.589 18987 11283 1 19 . 1 1 43 43 LYS HA H 43 3.795 3.795 4.037 -0.242 18987 11284 1 19 . 1 1 43 43 LYS C C 43 179.816 179.816 179.316 0.500 18987 11285 1 19 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.416 1.734 18987 11286 1 19 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.867 0.373 18987 11287 1 19 . 1 1 43 43 LYS H H 43 8.775 8.775 8.175 0.600 18987 11288 1 19 . 1 1 44 44 THR N N 44 118.754 118.754 117.869 0.885 18987 11289 1 19 . 1 1 44 44 THR HA H 44 3.894 3.894 4.030 -0.136 18987 11290 1 19 . 1 1 44 44 THR C C 44 175.214 175.214 176.465 -1.251 18987 11291 1 19 . 1 1 44 44 THR CA C 44 66.900 66.900 66.884 0.016 18987 11292 1 19 . 1 1 44 44 THR CB C 44 68.920 68.920 68.886 0.034 18987 11293 1 19 . 1 1 44 44 THR H H 44 7.959 7.959 7.969 -0.010 18987 11294 1 19 . 1 1 45 45 ILE N N 45 122.671 122.671 119.689 2.982 18987 11295 1 19 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.811 -0.004 18987 11296 1 19 . 1 1 45 45 ILE C C 45 180.273 180.273 177.738 2.535 18987 11297 1 19 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.911 1.139 18987 11298 1 19 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.463 1.287 18987 11299 1 19 . 1 1 45 45 ILE H H 45 8.100 8.100 7.794 0.306 18987 11300 1 19 . 1 1 46 46 ILE N N 46 123.392 123.392 120.924 2.468 18987 11301 1 19 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.964 -0.439 18987 11302 1 19 . 1 1 46 46 ILE C C 46 178.509 178.509 178.496 0.013 18987 11303 1 19 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.610 1.200 18987 11304 1 19 . 1 1 46 46 ILE CB C 46 38.110 38.110 37.887 0.223 18987 11305 1 19 . 1 1 46 46 ILE H H 46 8.778 8.778 8.039 0.739 18987 11306 1 19 . 1 1 47 47 ALA N N 47 123.336 123.336 122.666 0.670 18987 11307 1 19 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.059 -0.011 18987 11308 1 19 . 1 1 47 47 ALA C C 47 180.114 180.114 178.837 1.277 18987 11309 1 19 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.915 -0.015 18987 11310 1 19 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.375 -0.045 18987 11311 1 19 . 1 1 47 47 ALA H H 47 8.232 8.232 7.768 0.464 18987 11312 1 19 . 1 1 48 48 ASN N N 48 114.090 114.090 115.964 -1.874 18987 11313 1 19 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.645 -0.155 18987 11314 1 19 . 1 1 48 48 ASN C C 48 177.776 177.776 178.343 -0.567 18987 11315 1 19 . 1 1 48 48 ASN CA C 48 55.070 55.070 55.661 -0.591 18987 11316 1 19 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.225 -0.555 18987 11317 1 19 . 1 1 48 48 ASN H H 48 8.464 8.464 8.103 0.361 18987 11318 1 19 . 1 1 49 49 THR N N 49 106.742 106.742 109.890 -3.148 18987 11319 1 19 . 1 1 49 49 THR HA H 49 4.471 4.471 4.491 -0.020 18987 11320 1 19 . 1 1 49 49 THR C C 49 176.968 176.968 175.887 1.081 18987 11321 1 19 . 1 1 49 49 THR CA C 49 62.550 62.550 63.474 -0.923 18987 11322 1 19 . 1 1 49 49 THR CB C 49 72.150 72.150 70.247 1.903 18987 11323 1 19 . 1 1 49 49 THR H H 49 8.035 8.035 8.086 -0.051 18987 11324 1 19 . 1 1 50 50 GLY N N 50 112.246 112.246 111.675 0.571 18987 11325 1 19 . 1 1 50 50 GLY C C 50 174.055 174.055 174.289 -0.234 18987 11326 1 19 . 1 1 50 50 GLY CA C 50 45.940 45.940 45.210 0.730 18987 11327 1 19 . 1 1 50 50 GLY H H 50 8.323 8.323 7.820 0.503 18987 11328 1 19 . 1 1 51 51 VAL N N 51 121.212 121.212 118.811 2.401 18987 11329 1 19 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.217 -0.342 18987 11330 1 19 . 1 1 51 51 VAL C C 51 173.120 173.120 175.450 -2.330 18987 11331 1 19 . 1 1 51 51 VAL CA C 51 61.380 61.380 60.891 0.489 18987 11332 1 19 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.449 -1.559 18987 11333 1 19 . 1 1 51 51 VAL H H 51 7.429 7.429 7.452 -0.023 18987 11334 1 19 . 1 1 52 52 GLU N N 52 126.158 126.158 126.114 0.044 18987 11335 1 19 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.274 -0.165 18987 11336 1 19 . 1 1 52 52 GLU C C 52 178.190 178.190 176.425 1.765 18987 11337 1 19 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.333 -0.093 18987 11338 1 19 . 1 1 52 52 GLU CB C 52 30.190 30.190 30.195 -0.005 18987 11339 1 19 . 1 1 52 52 GLU H H 52 7.881 7.881 8.532 -0.651 18987 11340 1 19 . 1 1 53 53 ILE N N 53 125.807 125.807 126.394 -0.587 18987 11341 1 19 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.935 -0.511 18987 11342 1 19 . 1 1 53 53 ILE C C 53 177.425 177.425 177.141 0.284 18987 11343 1 19 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.286 2.494 18987 11344 1 19 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.005 -0.045 18987 11345 1 19 . 1 1 53 53 ILE H H 53 8.430 8.430 8.920 -0.490 18987 11346 1 19 . 1 1 54 54 ASN N N 54 116.588 116.588 119.083 -2.495 18987 11347 1 19 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.707 -0.251 18987 11348 1 19 . 1 1 54 54 ASN C C 54 178.807 178.807 176.796 2.011 18987 11349 1 19 . 1 1 54 54 ASN CA C 54 55.770 55.770 56.547 -0.777 18987 11350 1 19 . 1 1 54 54 ASN CB C 54 37.140 37.140 38.423 -1.283 18987 11351 1 19 . 1 1 54 54 ASN H H 54 8.585 8.585 8.645 -0.060 18987 11352 1 19 . 1 1 55 55 LYS N N 55 117.013 117.013 117.423 -0.410 18987 11353 1 19 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.127 -0.025 18987 11354 1 19 . 1 1 55 55 LYS C C 55 176.819 176.819 176.694 0.125 18987 11355 1 19 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.090 -0.530 18987 11356 1 19 . 1 1 55 55 LYS CB C 55 32.180 32.180 31.478 0.702 18987 11357 1 19 . 1 1 55 55 LYS H H 55 7.661 7.661 7.948 -0.287 18987 11358 1 19 . 1 1 56 56 LEU N N 56 114.768 114.768 118.704 -3.936 18987 11359 1 19 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.306 -0.379 18987 11360 1 19 . 1 1 56 56 LEU C C 56 176.702 176.702 176.541 0.161 18987 11361 1 19 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.131 0.789 18987 11362 1 19 . 1 1 56 56 LEU CB C 56 42.020 42.020 41.962 0.059 18987 11363 1 19 . 1 1 56 56 LEU H H 56 7.690 7.690 7.227 0.463 18987 11364 1 19 . 1 1 57 57 PHE N N 57 114.558 114.558 118.160 -3.602 18987 11365 1 19 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.773 -0.325 18987 11366 1 19 . 1 1 57 57 PHE C C 57 176.319 176.319 175.902 0.417 18987 11367 1 19 . 1 1 57 57 PHE CA C 57 58.470 58.470 58.212 0.258 18987 11368 1 19 . 1 1 57 57 PHE CB C 57 40.700 40.700 40.249 0.451 18987 11369 1 19 . 1 1 57 57 PHE H H 57 7.032 7.032 7.639 -0.607 18987 11370 1 19 . 1 1 58 58 ASN N N 58 118.674 118.674 120.719 -2.045 18987 11371 1 19 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.539 -0.053 18987 11372 1 19 . 1 1 58 58 ASN CA C 58 51.540 51.540 53.736 -2.196 18987 11373 1 19 . 1 1 58 58 ASN CB C 58 36.910 36.910 38.921 -2.011 18987 11374 1 19 . 1 1 58 58 ASN H H 58 8.659 8.659 8.430 0.229 18987 11375 1 19 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.622 -0.060 18987 11376 1 19 . 1 1 60 60 HIS C C 60 176.309 176.309 176.311 -0.002 18987 11377 1 19 . 1 1 60 60 HIS CA C 60 55.920 55.920 55.991 -0.071 18987 11378 1 19 . 1 1 60 60 HIS CB C 60 30.890 30.890 30.552 0.338 18987 11379 1 19 . 1 1 61 61 GLY N N 61 106.925 106.925 108.048 -1.123 18987 11380 1 19 . 1 1 61 61 GLY CA C 61 45.180 45.180 45.474 -0.294 18987 11381 1 19 . 1 1 61 61 GLY H H 61 7.284 7.284 8.839 -1.555 18987 11382 1 19 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.071 -0.023 18987 11383 1 19 . 1 1 63 63 LYS C C 63 177.435 177.435 179.249 -1.814 18987 11384 1 19 . 1 1 63 63 LYS CA C 63 58.300 58.300 59.237 -0.937 18987 11385 1 19 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.448 -1.288 18987 11386 1 19 . 1 1 64 64 TYR N N 64 119.737 119.737 121.066 -1.329 18987 11387 1 19 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.119 -0.463 18987 11388 1 19 . 1 1 64 64 TYR C C 64 178.339 178.339 175.934 2.405 18987 11389 1 19 . 1 1 64 64 TYR CA C 64 61.610 61.610 61.688 -0.078 18987 11390 1 19 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.837 0.064 18987 11391 1 19 . 1 1 64 64 TYR H H 64 7.644 7.644 8.492 -0.848 18987 11392 1 19 . 1 1 65 65 ARG N N 65 118.236 118.236 114.828 3.408 18987 11393 1 19 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.430 -0.220 18987 11394 1 19 . 1 1 65 65 ARG C C 65 179.816 179.816 177.485 2.331 18987 11395 1 19 . 1 1 65 65 ARG CA C 65 59.090 59.090 56.179 2.911 18987 11396 1 19 . 1 1 65 65 ARG CB C 65 30.160 30.160 29.994 0.166 18987 11397 1 19 . 1 1 65 65 ARG H H 65 7.358 7.358 7.890 -0.532 18987 11398 1 19 . 1 1 66 66 GLU N N 66 123.063 123.063 120.957 2.106 18987 11399 1 19 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.226 -0.309 18987 11400 1 19 . 1 1 66 66 GLU C C 66 178.626 178.626 177.659 0.967 18987 11401 1 19 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.627 0.823 18987 11402 1 19 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.720 -0.030 18987 11403 1 19 . 1 1 66 66 GLU H H 66 8.789 8.789 8.017 0.772 18987 11404 1 19 . 1 1 67 67 LEU N N 67 115.817 115.817 117.899 -2.082 18987 11405 1 19 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.250 -0.120 18987 11406 1 19 . 1 1 67 67 LEU C C 67 176.171 176.171 176.602 -0.431 18987 11407 1 19 . 1 1 67 67 LEU CA C 67 54.750 54.750 55.051 -0.301 18987 11408 1 19 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.383 -0.363 18987 11409 1 19 . 1 1 67 67 LEU H H 67 7.907 7.907 7.477 0.430 18987 11410 1 19 . 1 1 68 68 ASP N N 68 118.063 118.063 117.209 0.854 18987 11411 1 19 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.298 0.117 18987 11412 1 19 . 1 1 68 68 ASP C C 68 177.521 177.521 176.336 1.185 18987 11413 1 19 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.547 -0.147 18987 11414 1 19 . 1 1 68 68 ASP CB C 68 39.640 39.640 39.447 0.193 18987 11415 1 19 . 1 1 68 68 ASP H H 68 7.878 7.878 8.017 -0.139 18987 11416 1 19 . 1 1 69 69 LEU N N 69 115.724 115.724 118.956 -3.232 18987 11417 1 19 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.804 -0.365 18987 11418 1 19 . 1 1 69 69 LEU C C 69 177.584 177.584 177.973 -0.389 18987 11419 1 19 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.300 0.180 18987 11420 1 19 . 1 1 69 69 LEU CB C 69 38.700 38.700 41.419 -2.719 18987 11421 1 19 . 1 1 69 69 LEU H H 69 7.285 7.285 7.550 -0.265 18987 11422 1 19 . 1 1 70 70 LYS N N 70 119.751 119.751 118.406 1.345 18987 11423 1 19 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.528 0.433 18987 11424 1 19 . 1 1 70 70 LYS C C 70 177.903 177.903 178.296 -0.393 18987 11425 1 19 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.790 0.690 18987 11426 1 19 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.485 0.495 18987 11427 1 19 . 1 1 70 70 LYS H H 70 8.601 8.601 7.352 1.249 18987 11428 1 19 . 1 1 71 71 ASN N N 71 113.386 113.386 116.059 -2.673 18987 11429 1 19 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.381 0.345 18987 11430 1 19 . 1 1 71 71 ASN C C 71 176.808 176.808 176.476 0.332 18987 11431 1 19 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.772 -1.402 18987 11432 1 19 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.330 1.630 18987 11433 1 19 . 1 1 71 71 ASN H H 71 6.965 6.965 7.729 -0.764 18987 11434 1 19 . 1 1 72 72 LYS N N 72 118.475 118.475 117.654 0.821 18987 11435 1 19 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.133 0.016 18987 11436 1 19 . 1 1 72 72 LYS C C 72 178.849 178.849 178.442 0.407 18987 11437 1 19 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.528 -0.608 18987 11438 1 19 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.431 1.599 18987 11439 1 19 . 1 1 72 72 LYS H H 72 8.113 8.113 7.477 0.636 18987 11440 1 19 . 1 1 73 73 LEU N N 73 120.458 120.458 119.934 0.524 18987 11441 1 19 . 1 1 73 73 LEU HA H 73 3.599 3.599 3.955 -0.356 18987 11442 1 19 . 1 1 73 73 LEU C C 73 178.126 178.126 178.028 0.098 18987 11443 1 19 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.084 1.746 18987 11444 1 19 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.693 -0.793 18987 11445 1 19 . 1 1 73 73 LEU H H 73 8.549 8.549 8.147 0.402 18987 11446 1 19 . 1 1 74 74 GLN N N 74 112.719 112.719 114.247 -1.528 18987 11447 1 19 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.142 0.036 18987 11448 1 19 . 1 1 74 74 GLN C C 74 176.883 176.883 177.216 -0.333 18987 11449 1 19 . 1 1 74 74 GLN CA C 74 57.250 57.250 57.834 -0.584 18987 11450 1 19 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.354 0.076 18987 11451 1 19 . 1 1 74 74 GLN H H 74 7.918 7.918 7.657 0.261 18987 11452 1 19 . 1 1 75 75 THR N N 75 108.336 108.336 113.431 -5.095 18987 11453 1 19 . 1 1 75 75 THR HA H 75 4.410 4.410 4.427 -0.017 18987 11454 1 19 . 1 1 75 75 THR C C 75 174.619 174.619 174.562 0.057 18987 11455 1 19 . 1 1 75 75 THR CA C 75 61.760 61.760 61.915 -0.155 18987 11456 1 19 . 1 1 75 75 THR CB C 75 69.950 69.950 69.974 -0.024 18987 11457 1 19 . 1 1 75 75 THR H H 75 7.620 7.620 7.602 0.018 18987 11458 1 19 . 1 1 76 76 LEU N N 76 122.754 122.754 121.759 0.995 18987 11459 1 19 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.713 -0.225 18987 11460 1 19 . 1 1 76 76 LEU C C 76 177.234 177.234 176.118 1.116 18987 11461 1 19 . 1 1 76 76 LEU CA C 76 54.190 54.190 54.169 0.021 18987 11462 1 19 . 1 1 76 76 LEU CB C 76 44.040 44.040 41.945 2.095 18987 11463 1 19 . 1 1 76 76 LEU H H 76 7.191 7.191 7.663 -0.472 18987 11464 1 19 . 1 1 77 77 SER N N 77 119.431 119.431 113.293 6.138 18987 11465 1 19 . 1 1 77 77 SER HA H 77 4.465 4.465 4.634 -0.169 18987 11466 1 19 . 1 1 77 77 SER C C 77 175.320 175.320 175.111 0.209 18987 11467 1 19 . 1 1 77 77 SER CA C 77 57.360 57.360 57.812 -0.452 18987 11468 1 19 . 1 1 77 77 SER CB C 77 65.080 65.080 64.694 0.386 18987 11469 1 19 . 1 1 77 77 SER H H 77 9.367 9.367 8.181 1.186 18987 11470 1 19 . 1 1 78 78 ASP N N 78 122.766 122.766 122.451 0.315 18987 11471 1 19 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.359 -0.164 18987 11472 1 19 . 1 1 78 78 ASP C C 78 178.211 178.211 177.942 0.269 18987 11473 1 19 . 1 1 78 78 ASP CA C 78 58.470 58.470 57.763 0.707 18987 11474 1 19 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.730 -1.270 18987 11475 1 19 . 1 1 78 78 ASP H H 78 9.055 9.055 8.874 0.181 18987 11476 1 19 . 1 1 79 79 ASP N N 79 117.917 117.917 120.208 -2.291 18987 11477 1 19 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.356 -0.081 18987 11478 1 19 . 1 1 79 79 ASP C C 79 179.179 179.179 177.944 1.235 18987 11479 1 19 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.488 0.512 18987 11480 1 19 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.902 -0.592 18987 11481 1 19 . 1 1 79 79 ASP H H 79 8.245 8.245 8.553 -0.308 18987 11482 1 19 . 1 1 80 80 GLU N N 80 120.229 120.229 119.290 0.939 18987 11483 1 19 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.063 -0.146 18987 11484 1 19 . 1 1 80 80 GLU C C 80 180.369 180.369 179.046 1.323 18987 11485 1 19 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.947 0.353 18987 11486 1 19 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.488 1.432 18987 11487 1 19 . 1 1 80 80 GLU H H 80 7.732 7.732 7.803 -0.071 18987 11488 1 19 . 1 1 81 81 LYS N N 81 120.163 120.163 119.812 0.351 18987 11489 1 19 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.309 -0.463 18987 11490 1 19 . 1 1 81 81 LYS C C 81 177.956 177.956 179.264 -1.308 18987 11491 1 19 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.599 1.341 18987 11492 1 19 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.501 1.119 18987 11493 1 19 . 1 1 81 81 LYS H H 81 8.340 8.340 7.523 0.817 18987 11494 1 19 . 1 1 82 82 LEU N N 82 117.478 117.478 119.617 -2.139 18987 11495 1 19 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.649 0.024 18987 11496 1 19 . 1 1 82 82 LEU C C 82 178.870 178.870 178.840 0.030 18987 11497 1 19 . 1 1 82 82 LEU CA C 82 57.770 57.770 57.769 0.001 18987 11498 1 19 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.560 0.190 18987 11499 1 19 . 1 1 82 82 LEU H H 82 8.161 8.161 7.710 0.451 18987 11500 1 19 . 1 1 83 83 GLU N N 83 119.824 119.824 119.085 0.739 18987 11501 1 19 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.953 -0.213 18987 11502 1 19 . 1 1 83 83 GLU C C 83 179.009 179.009 179.307 -0.298 18987 11503 1 19 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.471 0.009 18987 11504 1 19 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.483 -0.143 18987 11505 1 19 . 1 1 83 83 GLU H H 83 7.999 7.999 7.743 0.256 18987 11506 1 19 . 1 1 84 84 LEU N N 84 119.684 119.684 120.016 -0.332 18987 11507 1 19 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.965 -0.023 18987 11508 1 19 . 1 1 84 84 LEU C C 84 179.264 179.264 179.049 0.215 18987 11509 1 19 . 1 1 84 84 LEU CA C 84 58.090 58.090 58.051 0.039 18987 11510 1 19 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.915 0.395 18987 11511 1 19 . 1 1 84 84 LEU H H 84 7.470 7.470 7.934 -0.464 18987 11512 1 19 . 1 1 85 85 LEU N N 85 119.086 119.086 118.346 0.740 18987 11513 1 19 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.709 -0.325 18987 11514 1 19 . 1 1 85 85 LEU C C 85 176.064 176.064 179.052 -2.988 18987 11515 1 19 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.128 0.732 18987 11516 1 19 . 1 1 85 85 LEU CB C 85 42.360 42.360 40.901 1.459 18987 11517 1 19 . 1 1 85 85 LEU H H 85 7.726 7.726 7.631 0.095 18987 11518 1 19 . 1 1 86 86 SER N N 86 105.708 105.708 113.331 -7.623 18987 11519 1 19 . 1 1 86 86 SER HA H 86 4.283 4.283 4.579 -0.296 18987 11520 1 19 . 1 1 86 86 SER C C 86 176.351 176.351 176.086 0.265 18987 11521 1 19 . 1 1 86 86 SER CA C 86 60.380 60.380 60.587 -0.207 18987 11522 1 19 . 1 1 86 86 SER CB C 86 64.400 64.400 63.318 1.083 18987 11523 1 19 . 1 1 86 86 SER H H 86 7.617 7.617 7.767 -0.150 18987 11524 1 19 . 1 1 87 87 SER N N 87 115.392 115.392 116.876 -1.484 18987 11525 1 19 . 1 1 87 87 SER HA H 87 4.345 4.345 4.384 -0.039 18987 11526 1 19 . 1 1 87 87 SER C C 87 174.534 174.534 174.716 -0.182 18987 11527 1 19 . 1 1 87 87 SER CA C 87 59.820 59.820 60.794 -0.974 18987 11528 1 19 . 1 1 87 87 SER CB C 87 64.340 64.340 63.848 0.492 18987 11529 1 19 . 1 1 87 87 SER H H 87 7.644 7.644 7.829 -0.185 18987 11530 1 19 . 1 1 88 88 ASP N N 88 120.295 120.295 120.150 0.145 18987 11531 1 19 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.806 -0.202 18987 11532 1 19 . 1 1 88 88 ASP C C 88 175.618 175.618 176.054 -0.436 18987 11533 1 19 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.929 0.081 18987 11534 1 19 . 1 1 88 88 ASP CB C 88 41.020 41.020 43.077 -2.057 18987 11535 1 19 . 1 1 88 88 ASP H H 88 7.104 7.104 7.680 -0.576 18987 11536 1 19 . 1 1 89 89 GLY N N 89 111.841 111.841 110.769 1.072 18987 11537 1 19 . 1 1 89 89 GLY C C 89 176.171 176.171 174.873 1.298 18987 11538 1 19 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.967 0.713 18987 11539 1 19 . 1 1 89 89 GLY H H 89 9.325 9.325 8.615 0.710 18987 11540 1 19 . 1 1 90 90 MET N N 90 117.877 117.877 117.365 0.512 18987 11541 1 19 . 1 1 90 90 MET HA H 90 4.075 4.075 4.350 -0.275 18987 11542 1 19 . 1 1 90 90 MET C C 90 178.456 178.456 178.148 0.308 18987 11543 1 19 . 1 1 90 90 MET CA C 90 56.400 56.400 56.316 0.084 18987 11544 1 19 . 1 1 90 90 MET CB C 90 30.540 30.540 31.989 -1.449 18987 11545 1 19 . 1 1 90 90 MET H H 90 8.593 8.593 7.908 0.685 18987 11546 1 19 . 1 1 91 91 LEU N N 91 118.027 118.027 119.264 -1.237 18987 11547 1 19 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.197 0.082 18987 11548 1 19 . 1 1 91 91 LEU C C 91 176.298 176.298 176.666 -0.368 18987 11549 1 19 . 1 1 91 91 LEU CA C 91 55.460 55.460 56.537 -1.077 18987 11550 1 19 . 1 1 91 91 LEU CB C 91 43.130 43.130 42.102 1.028 18987 11551 1 19 . 1 1 91 91 LEU H H 91 8.224 8.224 7.274 0.950 18987 11552 1 19 . 1 1 92 92 VAL N N 92 120.960 120.960 116.988 3.972 18987 11553 1 19 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.184 -0.183 18987 11554 1 19 . 1 1 92 92 VAL C C 92 175.990 175.990 176.326 -0.336 18987 11555 1 19 . 1 1 92 92 VAL CA C 92 61.150 61.150 62.288 -1.138 18987 11556 1 19 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.420 -0.150 18987 11557 1 19 . 1 1 92 92 VAL H H 92 7.093 7.093 7.103 -0.010 18987 11558 1 19 . 1 1 93 93 LYS N N 93 130.687 130.687 126.144 4.543 18987 11559 1 19 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.155 -0.449 18987 11560 1 19 . 1 1 93 93 LYS C C 93 171.855 171.855 177.010 -5.155 18987 11561 1 19 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.730 1.190 18987 11562 1 19 . 1 1 93 93 LYS CB C 93 32.800 32.800 31.561 1.239 18987 11563 1 19 . 1 1 93 93 LYS H H 93 8.442 8.442 8.179 0.263 18987 11564 1 19 . 1 1 94 94 ARG N N 94 115.791 115.791 124.777 -8.986 18987 11565 1 19 . 1 1 94 94 ARG H H 94 7.676 7.676 8.373 -0.697 18987 11566 1 19 . 1 1 95 95 PRO C C 95 175.108 175.108 175.495 -0.387 18987 11567 1 19 . 1 1 96 96 LEU N N 96 128.494 128.494 125.786 2.708 18987 11568 1 19 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.257 -0.276 18987 11569 1 19 . 1 1 96 96 LEU C C 96 173.216 173.216 174.260 -1.044 18987 11570 1 19 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.791 1.079 18987 11571 1 19 . 1 1 96 96 LEU CB C 96 43.660 43.660 47.036 -3.376 18987 11572 1 19 . 1 1 96 96 LEU H H 96 8.246 8.246 8.624 -0.378 18987 11573 1 19 . 1 1 97 97 ALA N N 97 131.035 131.035 125.541 5.494 18987 11574 1 19 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.395 0.475 18987 11575 1 19 . 1 1 97 97 ALA C C 97 174.938 174.938 174.818 0.120 18987 11576 1 19 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.489 -1.639 18987 11577 1 19 . 1 1 97 97 ALA CB C 97 20.070 20.070 22.381 -2.311 18987 11578 1 19 . 1 1 97 97 ALA H H 97 8.839 8.839 9.033 -0.194 18987 11579 1 19 . 1 1 98 98 VAL N N 98 119.830 119.830 124.826 -4.996 18987 11580 1 19 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.286 0.270 18987 11581 1 19 . 1 1 98 98 VAL C C 98 173.896 173.896 173.523 0.373 18987 11582 1 19 . 1 1 98 98 VAL CA C 98 59.270 59.270 60.539 -1.269 18987 11583 1 19 . 1 1 98 98 VAL CB C 98 35.970 35.970 36.531 -0.561 18987 11584 1 19 . 1 1 98 98 VAL H H 98 8.824 8.824 8.732 0.092 18987 11585 1 19 . 1 1 99 99 MET N N 99 127.537 127.537 124.932 2.605 18987 11586 1 19 . 1 1 99 99 MET HA H 99 4.430 4.430 5.044 -0.614 18987 11587 1 19 . 1 1 99 99 MET CA C 99 56.710 56.710 53.603 3.107 18987 11588 1 19 . 1 1 99 99 MET CB C 99 31.050 31.050 36.303 -5.253 18987 11589 1 19 . 1 1 99 99 MET H H 99 8.873 8.873 8.881 -0.008 18987 11590 1 19 . 1 1 100 100 GLY C C 100 173.024 173.024 174.661 -1.637 18987 11591 1 19 . 1 1 100 100 GLY CA C 100 47.970 47.970 46.996 0.974 18987 11592 1 19 . 1 1 101 101 ASP N N 101 124.308 124.308 116.703 7.605 18987 11593 1 19 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.874 -0.675 18987 11594 1 19 . 1 1 101 101 ASP C C 101 175.172 175.172 176.320 -1.148 18987 11595 1 19 . 1 1 101 101 ASP CA C 101 53.310 53.310 53.978 -0.668 18987 11596 1 19 . 1 1 101 101 ASP CB C 101 40.170 40.170 41.573 -1.403 18987 11597 1 19 . 1 1 101 101 ASP H H 101 8.257 8.257 8.617 -0.360 18987 11598 1 19 . 1 1 102 102 LYS N N 102 121.002 121.002 119.992 1.010 18987 11599 1 19 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.551 -0.145 18987 11600 1 19 . 1 1 102 102 LYS C C 102 174.257 174.257 174.359 -0.102 18987 11601 1 19 . 1 1 102 102 LYS CA C 102 55.370 55.370 55.373 -0.003 18987 11602 1 19 . 1 1 102 102 LYS CB C 102 36.230 36.230 33.845 2.385 18987 11603 1 19 . 1 1 102 102 LYS H H 102 8.108 8.108 7.930 0.178 18987 11604 1 19 . 1 1 103 103 ILE N N 103 118.488 118.488 121.657 -3.169 18987 11605 1 19 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.105 0.754 18987 11606 1 19 . 1 1 103 103 ILE C C 103 173.652 173.652 173.772 -0.120 18987 11607 1 19 . 1 1 103 103 ILE CA C 103 58.620 58.620 59.941 -1.321 18987 11608 1 19 . 1 1 103 103 ILE CB C 103 42.250 42.250 42.136 0.114 18987 11609 1 19 . 1 1 103 103 ILE H H 103 8.038 8.038 8.177 -0.139 18987 11610 1 19 . 1 1 104 104 THR N N 104 115.441 115.441 118.744 -3.303 18987 11611 1 19 . 1 1 104 104 THR HA H 104 4.524 4.524 4.676 -0.152 18987 11612 1 19 . 1 1 104 104 THR C C 104 173.503 173.503 172.509 0.994 18987 11613 1 19 . 1 1 104 104 THR CA C 104 60.660 60.660 60.635 0.025 18987 11614 1 19 . 1 1 104 104 THR CB C 104 72.460 72.460 71.978 0.481 18987 11615 1 19 . 1 1 104 104 THR H H 104 9.360 9.360 9.270 0.090 18987 11616 1 19 . 1 1 105 105 LEU N N 105 123.352 123.352 126.571 -3.219 18987 11617 1 19 . 1 1 105 105 LEU HA H 105 5.023 5.023 4.502 0.521 18987 11618 1 19 . 1 1 105 105 LEU C C 105 178.860 178.860 178.041 0.819 18987 11619 1 19 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.863 -1.823 18987 11620 1 19 . 1 1 105 105 LEU CB C 105 44.290 44.290 43.314 0.976 18987 11621 1 19 . 1 1 105 105 LEU H H 105 8.857 8.857 8.411 0.446 18987 11622 1 19 . 1 1 106 106 GLY N N 106 108.363 108.363 113.664 -5.301 18987 11623 1 19 . 1 1 106 106 GLY C C 106 172.100 172.100 173.216 -1.116 18987 11624 1 19 . 1 1 106 106 GLY CA C 106 44.870 44.870 44.855 0.015 18987 11625 1 19 . 1 1 106 106 GLY H H 106 8.241 8.241 8.438 -0.197 18987 11626 1 19 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.578 0.110 18987 11627 1 19 . 1 1 107 107 PHE CA C 107 58.000 58.000 57.249 0.751 18987 11628 1 19 . 1 1 107 107 PHE CB C 107 41.620 41.620 38.935 2.685 18987 11629 1 19 . 1 1 108 108 LYS N N 108 129.677 129.677 128.388 1.289 18987 11630 1 19 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.106 -0.204 18987 11631 1 19 . 1 1 108 108 LYS CA C 108 54.650 54.650 54.060 0.590 18987 11632 1 19 . 1 1 108 108 LYS CB C 108 34.130 34.130 31.469 2.661 18987 11633 1 19 . 1 1 108 108 LYS H H 108 7.351 7.351 7.284 0.067 18987 11634 1 19 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.196 -0.236 18987 11635 1 19 . 1 1 109 109 GLU C C 109 177.255 177.255 176.564 0.691 18987 11636 1 19 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.866 0.974 18987 11637 1 19 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.123 0.177 18987 11638 1 19 . 1 1 110 110 ASP N N 110 115.831 115.831 118.258 -2.427 18987 11639 1 19 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.192 -0.035 18987 11640 1 19 . 1 1 110 110 ASP C C 110 178.456 178.456 178.197 0.259 18987 11641 1 19 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.680 -0.770 18987 11642 1 19 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.365 -1.155 18987 11643 1 19 . 1 1 110 110 ASP H H 110 8.654 8.654 8.408 0.246 18987 11644 1 19 . 1 1 111 111 GLN N N 111 119.458 119.458 116.901 2.557 18987 11645 1 19 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.946 0.135 18987 11646 1 19 . 1 1 111 111 GLN C C 111 179.189 179.189 178.455 0.734 18987 11647 1 19 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.364 -0.224 18987 11648 1 19 . 1 1 111 111 GLN CB C 111 28.850 28.850 28.024 0.826 18987 11649 1 19 . 1 1 111 111 GLN H H 111 6.993 6.993 8.314 -1.321 18987 11650 1 19 . 1 1 112 112 TYR N N 112 124.973 124.973 119.758 5.215 18987 11651 1 19 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.269 -0.342 18987 11652 1 19 . 1 1 112 112 TYR C C 112 178.254 178.254 178.009 0.245 18987 11653 1 19 . 1 1 112 112 TYR CA C 112 62.690 62.690 60.030 2.660 18987 11654 1 19 . 1 1 112 112 TYR CB C 112 36.660 36.660 37.826 -1.166 18987 11655 1 19 . 1 1 112 112 TYR H H 112 8.289 8.289 7.950 0.339 18987 11656 1 19 . 1 1 113 113 LYS N N 113 118.329 118.329 118.937 -0.608 18987 11657 1 19 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.182 -0.269 18987 11658 1 19 . 1 1 113 113 LYS C C 113 178.296 178.296 178.127 0.169 18987 11659 1 19 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.649 1.431 18987 11660 1 19 . 1 1 113 113 LYS CB C 113 32.810 32.810 32.002 0.809 18987 11661 1 19 . 1 1 113 113 LYS H H 113 8.310 8.310 8.027 0.283 18987 11662 1 19 . 1 1 114 114 GLU N N 114 115.605 115.605 118.622 -3.017 18987 11663 1 19 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.256 -0.360 18987 11664 1 19 . 1 1 114 114 GLU C C 114 177.308 177.308 177.749 -0.441 18987 11665 1 19 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.660 -0.350 18987 11666 1 19 . 1 1 114 114 GLU CB C 114 30.140 30.140 30.073 0.067 18987 11667 1 19 . 1 1 114 114 GLU H H 114 7.603 7.603 7.856 -0.253 18987 11668 1 19 . 1 1 115 115 THR N N 115 112.256 112.256 114.343 -2.087 18987 11669 1 19 . 1 1 115 115 THR HA H 115 3.666 3.666 4.258 -0.592 18987 11670 1 19 . 1 1 115 115 THR C C 115 174.672 174.672 175.751 -1.079 18987 11671 1 19 . 1 1 115 115 THR CA C 115 65.710 65.710 64.917 0.793 18987 11672 1 19 . 1 1 115 115 THR CB C 115 68.700 68.700 69.272 -0.572 18987 11673 1 19 . 1 1 115 115 THR H H 115 7.591 7.591 7.955 -0.364 18987 11674 1 19 . 1 1 116 116 TRP N N 116 116.495 116.495 120.805 -4.310 18987 11675 1 19 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.499 0.804 18987 11676 1 19 . 1 1 116 116 TRP C C 116 176.553 176.553 177.339 -0.786 18987 11677 1 19 . 1 1 116 116 TRP CA C 116 55.620 55.620 58.348 -2.728 18987 11678 1 19 . 1 1 116 116 TRP CB C 116 31.430 31.430 29.805 1.625 18987 11679 1 19 . 1 1 116 116 TRP H H 116 7.661 7.661 7.565 0.096 18987 11680 1 19 . 1 1 117 117 LEU N N 117 116.588 116.588 116.875 -0.287 18987 11681 1 19 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.597 0.005 18987 11682 1 19 . 1 1 117 117 LEU C C 117 175.788 175.788 176.635 -0.847 18987 11683 1 19 . 1 1 117 117 LEU CA C 117 53.860 53.860 54.103 -0.243 18987 11684 1 19 . 1 1 117 117 LEU CB C 117 40.880 40.880 42.209 -1.329 18987 11685 1 19 . 1 1 117 117 LEU H H 117 6.922 6.922 7.601 -0.679 18987 11686 1 20 . 1 1 2 2 ILE N N 2 124.348 124.348 121.302 3.046 18987 11687 1 20 . 1 1 2 2 ILE HA H 2 3.576 3.576 3.847 -0.271 18987 11688 1 20 . 1 1 2 2 ILE C C 2 175.884 175.884 176.163 -0.279 18987 11689 1 20 . 1 1 2 2 ILE CA C 2 62.790 62.790 62.039 0.751 18987 11690 1 20 . 1 1 2 2 ILE CB C 2 40.400 40.400 38.019 2.381 18987 11691 1 20 . 1 1 2 2 ILE H H 2 7.539 7.539 8.241 -0.702 18987 11692 1 20 . 1 1 3 3 LYS N N 3 128.600 128.600 126.413 2.187 18987 11693 1 20 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.420 -0.085 18987 11694 1 20 . 1 1 3 3 LYS C C 3 173.322 173.322 175.550 -2.228 18987 11695 1 20 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.248 2.382 18987 11696 1 20 . 1 1 3 3 LYS CB C 3 32.800 32.800 31.084 1.716 18987 11697 1 20 . 1 1 3 3 LYS H H 3 8.524 8.524 8.770 -0.246 18987 11698 1 20 . 1 1 4 4 PHE N N 4 128.560 128.560 127.798 0.762 18987 11699 1 20 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.960 -0.125 18987 11700 1 20 . 1 1 4 4 PHE C C 4 172.546 172.546 174.272 -1.726 18987 11701 1 20 . 1 1 4 4 PHE CA C 4 56.570 56.570 56.144 0.426 18987 11702 1 20 . 1 1 4 4 PHE CB C 4 42.600 42.600 39.418 3.182 18987 11703 1 20 . 1 1 4 4 PHE H H 4 8.412 8.412 8.237 0.175 18987 11704 1 20 . 1 1 5 5 TYR N N 5 125.785 125.785 127.594 -1.809 18987 11705 1 20 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.112 0.014 18987 11706 1 20 . 1 1 5 5 TYR C C 5 175.852 175.852 175.158 0.694 18987 11707 1 20 . 1 1 5 5 TYR CA C 5 57.980 57.980 58.121 -0.141 18987 11708 1 20 . 1 1 5 5 TYR CB C 5 38.550 38.550 39.068 -0.518 18987 11709 1 20 . 1 1 5 5 TYR H H 5 9.313 9.313 8.525 0.788 18987 11710 1 20 . 1 1 6 6 GLN N N 6 117.436 117.436 118.676 -1.240 18987 11711 1 20 . 1 1 6 6 GLN HA H 6 4.622 4.622 4.951 -0.329 18987 11712 1 20 . 1 1 6 6 GLN C C 6 171.951 171.951 173.521 -1.570 18987 11713 1 20 . 1 1 6 6 GLN CA C 6 53.430 53.430 54.654 -1.224 18987 11714 1 20 . 1 1 6 6 GLN CB C 6 30.490 30.490 32.881 -2.391 18987 11715 1 20 . 1 1 6 6 GLN H H 6 9.110 9.110 9.045 0.065 18987 11716 1 20 . 1 1 7 7 TYR N N 7 116.309 116.309 121.411 -5.102 18987 11717 1 20 . 1 1 7 7 TYR HA H 7 4.953 4.953 4.690 0.263 18987 11718 1 20 . 1 1 7 7 TYR CA C 7 56.130 56.130 58.882 -2.752 18987 11719 1 20 . 1 1 7 7 TYR CB C 7 42.860 42.860 41.518 1.342 18987 11720 1 20 . 1 1 7 7 TYR H H 7 7.075 7.075 8.602 -1.527 18987 11721 1 20 . 1 1 12 12 THR HA H 12 3.868 3.868 3.885 -0.017 18987 11722 1 20 . 1 1 12 12 THR C C 12 176.203 176.203 176.307 -0.104 18987 11723 1 20 . 1 1 12 12 THR CA C 12 65.930 65.930 65.885 0.045 18987 11724 1 20 . 1 1 12 12 THR CB C 12 68.630 68.630 68.623 0.007 18987 11725 1 20 . 1 1 13 13 CYS N N 13 116.721 116.721 119.821 -3.100 18987 11726 1 20 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.197 0.034 18987 11727 1 20 . 1 1 13 13 CYS C C 13 174.938 174.938 176.543 -1.605 18987 11728 1 20 . 1 1 13 13 CYS CA C 13 63.790 63.790 62.087 1.703 18987 11729 1 20 . 1 1 13 13 CYS CB C 13 33.590 33.590 26.695 6.895 18987 11730 1 20 . 1 1 13 13 CYS H H 13 8.441 8.441 7.723 0.718 18987 11731 1 20 . 1 1 14 14 LYS N N 14 119.429 119.429 120.058 -0.629 18987 11732 1 20 . 1 1 14 14 LYS HA H 14 4.037 4.037 3.900 0.137 18987 11733 1 20 . 1 1 14 14 LYS C C 14 179.370 179.370 179.069 0.301 18987 11734 1 20 . 1 1 14 14 LYS CA C 14 59.150 59.150 59.415 -0.265 18987 11735 1 20 . 1 1 14 14 LYS CB C 14 32.270 32.270 31.917 0.353 18987 11736 1 20 . 1 1 14 14 LYS H H 14 7.805 7.805 7.478 0.327 18987 11737 1 20 . 1 1 15 15 LYS N N 15 119.379 119.379 118.685 0.694 18987 11738 1 20 . 1 1 15 15 LYS HA H 15 3.677 3.677 3.970 -0.293 18987 11739 1 20 . 1 1 15 15 LYS C C 15 177.999 177.999 178.844 -0.845 18987 11740 1 20 . 1 1 15 15 LYS CA C 15 59.270 59.270 58.705 0.565 18987 11741 1 20 . 1 1 15 15 LYS CB C 15 32.630 32.630 31.923 0.707 18987 11742 1 20 . 1 1 15 15 LYS H H 15 7.612 7.612 7.233 0.379 18987 11743 1 20 . 1 1 16 16 ALA N N 16 122.940 122.940 121.608 1.332 18987 11744 1 20 . 1 1 16 16 ALA HA H 16 2.906 2.906 4.052 -1.146 18987 11745 1 20 . 1 1 16 16 ALA C C 16 177.999 177.999 179.181 -1.182 18987 11746 1 20 . 1 1 16 16 ALA CA C 16 54.370 54.370 54.836 -0.466 18987 11747 1 20 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.097 1.173 18987 11748 1 20 . 1 1 16 16 ALA H H 16 7.346 7.346 7.623 -0.277 18987 11749 1 20 . 1 1 17 17 ALA N N 17 120.093 120.093 120.464 -0.371 18987 11750 1 20 . 1 1 17 17 ALA HA H 17 2.965 2.965 3.114 -0.149 18987 11751 1 20 . 1 1 17 17 ALA C C 17 178.466 178.466 179.092 -0.626 18987 11752 1 20 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.714 0.156 18987 11753 1 20 . 1 1 17 17 ALA CB C 17 17.270 17.270 18.144 -0.874 18987 11754 1 20 . 1 1 17 17 ALA H H 17 7.959 7.959 7.772 0.187 18987 11755 1 20 . 1 1 18 18 LYS N N 18 115.894 115.894 119.251 -3.357 18987 11756 1 20 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.098 -0.133 18987 11757 1 20 . 1 1 18 18 LYS C C 18 178.647 178.647 178.562 0.085 18987 11758 1 20 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.612 0.298 18987 11759 1 20 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.181 -0.001 18987 11760 1 20 . 1 1 18 18 LYS H H 18 7.565 7.565 7.760 -0.195 18987 11761 1 20 . 1 1 19 19 PHE N N 19 120.854 120.854 120.519 0.335 18987 11762 1 20 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.371 -0.132 18987 11763 1 20 . 1 1 19 19 PHE C C 19 176.925 176.925 177.412 -0.487 18987 11764 1 20 . 1 1 19 19 PHE CA C 19 61.730 61.730 61.004 0.726 18987 11765 1 20 . 1 1 19 19 PHE CB C 19 39.140 39.140 39.240 -0.100 18987 11766 1 20 . 1 1 19 19 PHE H H 19 7.496 7.496 7.837 -0.341 18987 11767 1 20 . 1 1 20 20 LEU N N 20 118.913 118.913 119.169 -0.256 18987 11768 1 20 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.736 0.162 18987 11769 1 20 . 1 1 20 20 LEU C C 20 179.657 179.657 178.349 1.308 18987 11770 1 20 . 1 1 20 20 LEU CA C 20 58.330 58.330 58.029 0.301 18987 11771 1 20 . 1 1 20 20 LEU CB C 20 40.460 40.460 41.341 -0.881 18987 11772 1 20 . 1 1 20 20 LEU H H 20 8.012 8.012 8.013 -0.001 18987 11773 1 20 . 1 1 21 21 ASP N N 21 118.448 118.448 118.287 0.161 18987 11774 1 20 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.373 0.083 18987 11775 1 20 . 1 1 21 21 ASP C C 21 180.358 180.358 178.458 1.900 18987 11776 1 20 . 1 1 21 21 ASP CA C 21 57.680 57.680 57.447 0.233 18987 11777 1 20 . 1 1 21 21 ASP CB C 21 40.520 40.520 41.070 -0.550 18987 11778 1 20 . 1 1 21 21 ASP H H 21 8.814 8.814 8.058 0.756 18987 11779 1 20 . 1 1 22 22 GLU N N 22 122.661 122.661 119.098 3.563 18987 11780 1 20 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.059 -0.317 18987 11781 1 20 . 1 1 22 22 GLU C C 22 178.371 178.371 178.213 0.158 18987 11782 1 20 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.925 0.315 18987 11783 1 20 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.838 -1.058 18987 11784 1 20 . 1 1 22 22 GLU H H 22 8.544 8.544 7.760 0.784 18987 11785 1 20 . 1 1 23 23 TYR N N 23 114.768 114.768 116.323 -1.555 18987 11786 1 20 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.427 -0.177 18987 11787 1 20 . 1 1 23 23 TYR C C 23 175.724 175.724 175.463 0.261 18987 11788 1 20 . 1 1 23 23 TYR CA C 23 59.070 59.070 58.434 0.635 18987 11789 1 20 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.310 0.710 18987 11790 1 20 . 1 1 23 23 TYR H H 23 7.522 7.522 7.822 -0.300 18987 11791 1 20 . 1 1 24 24 GLY N N 24 110.449 110.449 107.563 2.886 18987 11792 1 20 . 1 1 24 24 GLY C C 24 174.534 174.534 174.601 -0.067 18987 11793 1 20 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.547 1.573 18987 11794 1 20 . 1 1 24 24 GLY H H 24 7.792 7.792 7.358 0.434 18987 11795 1 20 . 1 1 25 25 VAL N N 25 122.714 122.714 120.760 1.954 18987 11796 1 20 . 1 1 25 25 VAL HA H 25 3.959 3.959 3.930 0.029 18987 11797 1 20 . 1 1 25 25 VAL C C 25 176.266 176.266 175.757 0.509 18987 11798 1 20 . 1 1 25 25 VAL CA C 25 62.000 62.000 62.963 -0.963 18987 11799 1 20 . 1 1 25 25 VAL CB C 25 32.480 32.480 31.733 0.747 18987 11800 1 20 . 1 1 25 25 VAL H H 25 8.393 8.393 7.856 0.537 18987 11801 1 20 . 1 1 26 26 SER N N 26 123.498 123.498 125.176 -1.678 18987 11802 1 20 . 1 1 26 26 SER HA H 26 4.351 4.351 4.473 -0.122 18987 11803 1 20 . 1 1 26 26 SER C C 26 173.513 173.513 172.950 0.563 18987 11804 1 20 . 1 1 26 26 SER CA C 26 59.040 59.040 58.849 0.191 18987 11805 1 20 . 1 1 26 26 SER CB C 26 63.530 63.530 63.373 0.157 18987 11806 1 20 . 1 1 26 26 SER H H 26 8.559 8.559 8.653 -0.094 18987 11807 1 20 . 1 1 27 27 TYR N N 27 119.756 119.756 121.875 -2.119 18987 11808 1 20 . 1 1 27 27 TYR HA H 27 4.983 4.983 5.136 -0.153 18987 11809 1 20 . 1 1 27 27 TYR C C 27 172.355 172.355 174.724 -2.369 18987 11810 1 20 . 1 1 27 27 TYR CA C 27 55.750 55.750 54.694 1.056 18987 11811 1 20 . 1 1 27 27 TYR CB C 27 40.730 40.730 41.097 -0.367 18987 11812 1 20 . 1 1 27 27 TYR H H 27 7.838 7.838 8.071 -0.233 18987 11813 1 20 . 1 1 28 28 GLU N N 28 123.126 123.126 121.366 1.760 18987 11814 1 20 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.720 0.008 18987 11815 1 20 . 1 1 28 28 GLU CA C 28 51.420 51.420 52.160 -0.740 18987 11816 1 20 . 1 1 28 28 GLU CB C 28 31.790 31.790 30.785 1.005 18987 11817 1 20 . 1 1 28 28 GLU H H 28 9.006 9.006 8.714 0.292 18987 11818 1 20 . 1 1 29 29 PRO HA H 29 5.619 5.619 4.943 0.676 18987 11819 1 20 . 1 1 29 29 PRO C C 29 177.276 177.276 176.123 1.153 18987 11820 1 20 . 1 1 29 29 PRO CA C 29 61.820 61.820 62.930 -1.110 18987 11821 1 20 . 1 1 29 29 PRO CB C 29 31.890 31.890 31.093 0.797 18987 11822 1 20 . 1 1 30 30 ILE N N 30 127.043 127.043 120.072 6.971 18987 11823 1 20 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.481 -0.377 18987 11824 1 20 . 1 1 30 30 ILE C C 30 174.948 174.948 174.430 0.518 18987 11825 1 20 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.647 1.713 18987 11826 1 20 . 1 1 30 30 ILE CB C 30 42.210 42.210 41.138 1.072 18987 11827 1 20 . 1 1 30 30 ILE H H 30 9.148 9.148 8.247 0.901 18987 11828 1 20 . 1 1 31 31 ASP N N 31 128.946 128.946 123.523 5.423 18987 11829 1 20 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.411 -0.519 18987 11830 1 20 . 1 1 31 31 ASP C C 31 176.373 176.373 177.414 -1.041 18987 11831 1 20 . 1 1 31 31 ASP CA C 31 54.600 54.600 55.968 -1.369 18987 11832 1 20 . 1 1 31 31 ASP CB C 31 42.920 42.920 41.489 1.431 18987 11833 1 20 . 1 1 31 31 ASP H H 31 9.092 9.092 9.070 0.022 18987 11834 1 20 . 1 1 32 32 ILE N N 32 127.576 127.576 127.577 -0.001 18987 11835 1 20 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.217 -0.125 18987 11836 1 20 . 1 1 32 32 ILE C C 32 174.013 174.013 176.373 -2.360 18987 11837 1 20 . 1 1 32 32 ILE CA C 32 62.520 62.520 63.376 -0.856 18987 11838 1 20 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.643 2.107 18987 11839 1 20 . 1 1 32 32 ILE H H 32 9.362 9.362 8.395 0.967 18987 11840 1 20 . 1 1 33 33 VAL N N 33 123.498 123.498 117.620 5.878 18987 11841 1 20 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.948 -0.305 18987 11842 1 20 . 1 1 33 33 VAL C C 33 176.819 176.819 176.812 0.007 18987 11843 1 20 . 1 1 33 33 VAL CA C 33 65.050 65.050 63.787 1.263 18987 11844 1 20 . 1 1 33 33 VAL CB C 33 31.970 31.970 30.729 1.241 18987 11845 1 20 . 1 1 33 33 VAL H H 33 8.445 8.445 7.993 0.452 18987 11846 1 20 . 1 1 34 34 GLN N N 34 119.897 119.897 118.556 1.341 18987 11847 1 20 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.130 -0.177 18987 11848 1 20 . 1 1 34 34 GLN C C 34 176.734 176.734 176.692 0.042 18987 11849 1 20 . 1 1 34 34 GLN CA C 34 57.540 57.540 57.469 0.071 18987 11850 1 20 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.006 0.854 18987 11851 1 20 . 1 1 34 34 GLN H H 34 8.650 8.650 8.131 0.519 18987 11852 1 20 . 1 1 35 35 HIS N N 35 118.090 118.090 119.422 -1.332 18987 11853 1 20 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.761 0.203 18987 11854 1 20 . 1 1 35 35 HIS C C 35 173.758 173.758 174.505 -0.747 18987 11855 1 20 . 1 1 35 35 HIS CA C 35 53.660 53.660 54.901 -1.241 18987 11856 1 20 . 1 1 35 35 HIS CB C 35 29.190 29.190 29.133 0.057 18987 11857 1 20 . 1 1 35 35 HIS H H 35 8.178 8.178 7.680 0.498 18987 11858 1 20 . 1 1 36 36 THR N N 36 118.794 118.794 118.287 0.507 18987 11859 1 20 . 1 1 36 36 THR HA H 36 4.142 4.142 4.500 -0.358 18987 11860 1 20 . 1 1 36 36 THR CA C 36 62.080 62.080 61.931 0.149 18987 11861 1 20 . 1 1 36 36 THR CB C 36 70.180 70.180 68.740 1.440 18987 11862 1 20 . 1 1 36 36 THR H H 36 7.468 7.468 7.290 0.178 18987 11863 1 20 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.382 -0.107 18987 11864 1 20 . 1 1 37 37 PRO C C 37 174.970 174.970 176.340 -1.370 18987 11865 1 20 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.386 0.584 18987 11866 1 20 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.533 -2.103 18987 11867 1 20 . 1 1 38 38 THR N N 38 111.512 111.512 113.400 -1.888 18987 11868 1 20 . 1 1 38 38 THR HA H 38 4.298 4.298 4.391 -0.093 18987 11869 1 20 . 1 1 38 38 THR C C 38 175.756 175.756 176.351 -0.595 18987 11870 1 20 . 1 1 38 38 THR CA C 38 60.700 60.700 62.049 -1.349 18987 11871 1 20 . 1 1 38 38 THR CB C 38 71.560 71.560 70.112 1.448 18987 11872 1 20 . 1 1 38 38 THR H H 38 8.220 8.220 7.950 0.270 18987 11873 1 20 . 1 1 39 39 ILE N N 39 119.950 119.950 121.388 -1.438 18987 11874 1 20 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.822 -0.145 18987 11875 1 20 . 1 1 39 39 ILE C C 39 177.871 177.871 177.866 0.005 18987 11876 1 20 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.624 1.476 18987 11877 1 20 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.628 0.512 18987 11878 1 20 . 1 1 39 39 ILE H H 39 8.763 8.763 8.680 0.083 18987 11879 1 20 . 1 1 40 40 ASN N N 40 116.189 116.189 117.432 -1.243 18987 11880 1 20 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.457 -0.108 18987 11881 1 20 . 1 1 40 40 ASN C C 40 178.445 178.445 177.647 0.798 18987 11882 1 20 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.359 -0.029 18987 11883 1 20 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.512 0.428 18987 11884 1 20 . 1 1 40 40 ASN H H 40 8.180 8.180 8.490 -0.310 18987 11885 1 20 . 1 1 41 41 GLU N N 41 121.970 121.970 120.609 1.361 18987 11886 1 20 . 1 1 41 41 GLU HA H 41 3.915 3.915 4.056 -0.141 18987 11887 1 20 . 1 1 41 41 GLU C C 41 180.093 180.093 179.048 1.045 18987 11888 1 20 . 1 1 41 41 GLU CA C 41 59.590 59.590 58.853 0.737 18987 11889 1 20 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.140 0.610 18987 11890 1 20 . 1 1 41 41 GLU H H 41 7.782 7.782 7.596 0.186 18987 11891 1 20 . 1 1 42 42 PHE N N 42 118.929 118.929 119.347 -0.418 18987 11892 1 20 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.098 0.072 18987 11893 1 20 . 1 1 42 42 PHE C C 42 178.488 178.488 177.559 0.929 18987 11894 1 20 . 1 1 42 42 PHE CA C 42 63.020 63.020 61.946 1.075 18987 11895 1 20 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.698 0.532 18987 11896 1 20 . 1 1 42 42 PHE H H 42 8.776 8.776 8.429 0.347 18987 11897 1 20 . 1 1 43 43 LYS N N 43 118.820 118.820 117.841 0.979 18987 11898 1 20 . 1 1 43 43 LYS HA H 43 3.795 3.795 3.957 -0.162 18987 11899 1 20 . 1 1 43 43 LYS C C 43 179.816 179.816 178.925 0.891 18987 11900 1 20 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.727 1.423 18987 11901 1 20 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.915 0.325 18987 11902 1 20 . 1 1 43 43 LYS H H 43 8.775 8.775 8.252 0.523 18987 11903 1 20 . 1 1 44 44 THR N N 44 118.754 118.754 117.652 1.102 18987 11904 1 20 . 1 1 44 44 THR HA H 44 3.894 3.894 4.100 -0.206 18987 11905 1 20 . 1 1 44 44 THR C C 44 175.214 175.214 176.514 -1.300 18987 11906 1 20 . 1 1 44 44 THR CA C 44 66.900 66.900 66.642 0.258 18987 11907 1 20 . 1 1 44 44 THR CB C 44 68.920 68.920 68.824 0.096 18987 11908 1 20 . 1 1 44 44 THR H H 44 7.959 7.959 7.970 -0.011 18987 11909 1 20 . 1 1 45 45 ILE N N 45 122.671 122.671 119.385 3.286 18987 11910 1 20 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.893 -0.086 18987 11911 1 20 . 1 1 45 45 ILE C C 45 180.273 180.273 177.934 2.339 18987 11912 1 20 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.886 1.164 18987 11913 1 20 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.410 1.341 18987 11914 1 20 . 1 1 45 45 ILE H H 45 8.100 8.100 7.757 0.343 18987 11915 1 20 . 1 1 46 46 ILE N N 46 123.392 123.392 121.299 2.093 18987 11916 1 20 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.937 -0.412 18987 11917 1 20 . 1 1 46 46 ILE C C 46 178.509 178.509 178.519 -0.010 18987 11918 1 20 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.716 1.094 18987 11919 1 20 . 1 1 46 46 ILE CB C 46 38.110 38.110 37.855 0.255 18987 11920 1 20 . 1 1 46 46 ILE H H 46 8.778 8.778 8.194 0.584 18987 11921 1 20 . 1 1 47 47 ALA N N 47 123.336 123.336 122.400 0.936 18987 11922 1 20 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.048 -0.000 18987 11923 1 20 . 1 1 47 47 ALA C C 47 180.114 180.114 178.677 1.437 18987 11924 1 20 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.844 0.056 18987 11925 1 20 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.316 0.014 18987 11926 1 20 . 1 1 47 47 ALA H H 47 8.232 8.232 7.854 0.378 18987 11927 1 20 . 1 1 48 48 ASN N N 48 114.090 114.090 115.357 -1.267 18987 11928 1 20 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.660 -0.170 18987 11929 1 20 . 1 1 48 48 ASN C C 48 177.776 177.776 177.823 -0.047 18987 11930 1 20 . 1 1 48 48 ASN CA C 48 55.070 55.070 55.145 -0.075 18987 11931 1 20 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.156 -0.486 18987 11932 1 20 . 1 1 48 48 ASN H H 48 8.464 8.464 7.979 0.485 18987 11933 1 20 . 1 1 49 49 THR N N 49 106.742 106.742 110.793 -4.051 18987 11934 1 20 . 1 1 49 49 THR HA H 49 4.471 4.471 4.469 0.002 18987 11935 1 20 . 1 1 49 49 THR C C 49 176.968 176.968 176.212 0.756 18987 11936 1 20 . 1 1 49 49 THR CA C 49 62.550 62.550 63.442 -0.892 18987 11937 1 20 . 1 1 49 49 THR CB C 49 72.150 72.150 70.413 1.737 18987 11938 1 20 . 1 1 49 49 THR H H 49 8.035 8.035 8.082 -0.047 18987 11939 1 20 . 1 1 50 50 GLY N N 50 112.246 112.246 111.903 0.343 18987 11940 1 20 . 1 1 50 50 GLY C C 50 174.055 174.055 174.721 -0.666 18987 11941 1 20 . 1 1 50 50 GLY CA C 50 45.940 45.940 45.261 0.679 18987 11942 1 20 . 1 1 50 50 GLY H H 50 8.323 8.323 7.843 0.480 18987 11943 1 20 . 1 1 51 51 VAL N N 51 121.212 121.212 120.182 1.030 18987 11944 1 20 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.182 -0.307 18987 11945 1 20 . 1 1 51 51 VAL C C 51 173.120 173.120 175.778 -2.658 18987 11946 1 20 . 1 1 51 51 VAL CA C 51 61.380 61.380 61.097 0.283 18987 11947 1 20 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.362 -1.472 18987 11948 1 20 . 1 1 51 51 VAL H H 51 7.429 7.429 7.545 -0.116 18987 11949 1 20 . 1 1 52 52 GLU N N 52 126.158 126.158 126.047 0.111 18987 11950 1 20 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.263 -0.154 18987 11951 1 20 . 1 1 52 52 GLU C C 52 178.190 178.190 176.777 1.413 18987 11952 1 20 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.300 -0.060 18987 11953 1 20 . 1 1 52 52 GLU CB C 52 30.190 30.190 29.869 0.321 18987 11954 1 20 . 1 1 52 52 GLU H H 52 7.881 7.881 8.499 -0.618 18987 11955 1 20 . 1 1 53 53 ILE N N 53 125.807 125.807 126.532 -0.725 18987 11956 1 20 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.764 -0.340 18987 11957 1 20 . 1 1 53 53 ILE C C 53 177.425 177.425 177.014 0.411 18987 11958 1 20 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.714 2.066 18987 11959 1 20 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.175 -0.215 18987 11960 1 20 . 1 1 53 53 ILE H H 53 8.430 8.430 8.840 -0.410 18987 11961 1 20 . 1 1 54 54 ASN N N 54 116.588 116.588 117.218 -0.630 18987 11962 1 20 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.830 -0.374 18987 11963 1 20 . 1 1 54 54 ASN C C 54 178.807 178.807 177.337 1.470 18987 11964 1 20 . 1 1 54 54 ASN CA C 54 55.770 55.770 56.076 -0.306 18987 11965 1 20 . 1 1 54 54 ASN CB C 54 37.140 37.140 38.285 -1.145 18987 11966 1 20 . 1 1 54 54 ASN H H 54 8.585 8.585 8.405 0.180 18987 11967 1 20 . 1 1 55 55 LYS N N 55 117.013 117.013 118.051 -1.038 18987 11968 1 20 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.192 -0.090 18987 11969 1 20 . 1 1 55 55 LYS C C 55 176.819 176.819 176.935 -0.116 18987 11970 1 20 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.191 -0.631 18987 11971 1 20 . 1 1 55 55 LYS CB C 55 32.180 32.180 31.795 0.385 18987 11972 1 20 . 1 1 55 55 LYS H H 55 7.661 7.661 7.510 0.151 18987 11973 1 20 . 1 1 56 56 LEU N N 56 114.768 114.768 118.715 -3.947 18987 11974 1 20 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.190 -0.263 18987 11975 1 20 . 1 1 56 56 LEU C C 56 176.702 176.702 176.771 -0.069 18987 11976 1 20 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.586 0.334 18987 11977 1 20 . 1 1 56 56 LEU CB C 56 42.020 42.020 41.689 0.331 18987 11978 1 20 . 1 1 56 56 LEU H H 56 7.690 7.690 7.215 0.475 18987 11979 1 20 . 1 1 57 57 PHE N N 57 114.558 114.558 117.209 -2.651 18987 11980 1 20 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.670 -0.222 18987 11981 1 20 . 1 1 57 57 PHE C C 57 176.319 176.319 176.500 -0.181 18987 11982 1 20 . 1 1 57 57 PHE CA C 57 58.470 58.470 58.698 -0.228 18987 11983 1 20 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.716 0.984 18987 11984 1 20 . 1 1 57 57 PHE H H 57 7.032 7.032 7.563 -0.531 18987 11985 1 20 . 1 1 58 58 ASN N N 58 118.674 118.674 119.963 -1.289 18987 11986 1 20 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.585 -0.099 18987 11987 1 20 . 1 1 58 58 ASN CA C 58 51.540 51.540 53.927 -2.387 18987 11988 1 20 . 1 1 58 58 ASN CB C 58 36.910 36.910 38.338 -1.428 18987 11989 1 20 . 1 1 58 58 ASN H H 58 8.659 8.659 8.476 0.183 18987 11990 1 20 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.408 0.154 18987 11991 1 20 . 1 1 60 60 HIS C C 60 176.309 176.309 176.123 0.186 18987 11992 1 20 . 1 1 60 60 HIS CA C 60 55.920 55.920 57.113 -1.193 18987 11993 1 20 . 1 1 60 60 HIS CB C 60 30.890 30.890 30.099 0.791 18987 11994 1 20 . 1 1 61 61 GLY N N 61 106.925 106.925 105.823 1.102 18987 11995 1 20 . 1 1 61 61 GLY CA C 61 45.180 45.180 44.941 0.239 18987 11996 1 20 . 1 1 61 61 GLY H H 61 7.284 7.284 7.715 -0.431 18987 11997 1 20 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.306 -0.258 18987 11998 1 20 . 1 1 63 63 LYS C C 63 177.435 177.435 178.480 -1.045 18987 11999 1 20 . 1 1 63 63 LYS CA C 63 58.300 58.300 58.345 -0.045 18987 12000 1 20 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.949 -1.789 18987 12001 1 20 . 1 1 64 64 TYR N N 64 119.737 119.737 120.203 -0.466 18987 12002 1 20 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.050 -0.394 18987 12003 1 20 . 1 1 64 64 TYR C C 64 178.339 178.339 176.431 1.908 18987 12004 1 20 . 1 1 64 64 TYR CA C 64 61.610 61.610 62.410 -0.800 18987 12005 1 20 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.651 0.249 18987 12006 1 20 . 1 1 64 64 TYR H H 64 7.644 7.644 8.266 -0.622 18987 12007 1 20 . 1 1 65 65 ARG N N 65 118.236 118.236 115.698 2.538 18987 12008 1 20 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.126 0.084 18987 12009 1 20 . 1 1 65 65 ARG C C 65 179.816 179.816 177.958 1.858 18987 12010 1 20 . 1 1 65 65 ARG CA C 65 59.090 59.090 57.767 1.323 18987 12011 1 20 . 1 1 65 65 ARG CB C 65 30.160 30.160 29.302 0.858 18987 12012 1 20 . 1 1 65 65 ARG H H 65 7.358 7.358 8.015 -0.657 18987 12013 1 20 . 1 1 66 66 GLU N N 66 123.063 123.063 121.229 1.834 18987 12014 1 20 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.187 -0.270 18987 12015 1 20 . 1 1 66 66 GLU C C 66 178.626 178.626 177.638 0.988 18987 12016 1 20 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.730 0.720 18987 12017 1 20 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.560 0.130 18987 12018 1 20 . 1 1 66 66 GLU H H 66 8.789 8.789 7.739 1.050 18987 12019 1 20 . 1 1 67 67 LEU N N 67 115.817 115.817 116.600 -0.783 18987 12020 1 20 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.525 -0.395 18987 12021 1 20 . 1 1 67 67 LEU C C 67 176.171 176.171 175.646 0.525 18987 12022 1 20 . 1 1 67 67 LEU CA C 67 54.750 54.750 54.586 0.164 18987 12023 1 20 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.395 -0.375 18987 12024 1 20 . 1 1 67 67 LEU H H 67 7.907 7.907 7.840 0.067 18987 12025 1 20 . 1 1 68 68 ASP N N 68 118.063 118.063 116.113 1.950 18987 12026 1 20 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.096 0.318 18987 12027 1 20 . 1 1 68 68 ASP C C 68 177.521 177.521 176.334 1.187 18987 12028 1 20 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.705 -0.305 18987 12029 1 20 . 1 1 68 68 ASP CB C 68 39.640 39.640 38.415 1.225 18987 12030 1 20 . 1 1 68 68 ASP H H 68 7.878 7.878 7.444 0.434 18987 12031 1 20 . 1 1 69 69 LEU N N 69 115.724 115.724 118.396 -2.672 18987 12032 1 20 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.750 -0.311 18987 12033 1 20 . 1 1 69 69 LEU C C 69 177.584 177.584 178.261 -0.677 18987 12034 1 20 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.249 0.231 18987 12035 1 20 . 1 1 69 69 LEU CB C 69 38.700 38.700 40.964 -2.264 18987 12036 1 20 . 1 1 69 69 LEU H H 69 7.285 7.285 7.354 -0.069 18987 12037 1 20 . 1 1 70 70 LYS N N 70 119.751 119.751 118.212 1.539 18987 12038 1 20 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.652 0.309 18987 12039 1 20 . 1 1 70 70 LYS C C 70 177.903 177.903 178.246 -0.343 18987 12040 1 20 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.589 0.891 18987 12041 1 20 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.471 0.509 18987 12042 1 20 . 1 1 70 70 LYS H H 70 8.601 8.601 7.448 1.153 18987 12043 1 20 . 1 1 71 71 ASN N N 71 113.386 113.386 116.881 -3.495 18987 12044 1 20 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.413 0.313 18987 12045 1 20 . 1 1 71 71 ASN C C 71 176.808 176.808 176.894 -0.086 18987 12046 1 20 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.957 -1.587 18987 12047 1 20 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.476 1.484 18987 12048 1 20 . 1 1 71 71 ASN H H 71 6.965 6.965 7.731 -0.766 18987 12049 1 20 . 1 1 72 72 LYS N N 72 118.475 118.475 118.908 -0.433 18987 12050 1 20 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.191 -0.042 18987 12051 1 20 . 1 1 72 72 LYS C C 72 178.849 178.849 178.414 0.435 18987 12052 1 20 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.316 -0.396 18987 12053 1 20 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.732 1.298 18987 12054 1 20 . 1 1 72 72 LYS H H 72 8.113 8.113 7.548 0.565 18987 12055 1 20 . 1 1 73 73 LEU N N 73 120.458 120.458 120.205 0.253 18987 12056 1 20 . 1 1 73 73 LEU HA H 73 3.599 3.599 3.984 -0.385 18987 12057 1 20 . 1 1 73 73 LEU C C 73 178.126 178.126 178.400 -0.274 18987 12058 1 20 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.245 1.585 18987 12059 1 20 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.748 -0.848 18987 12060 1 20 . 1 1 73 73 LEU H H 73 8.549 8.549 8.149 0.400 18987 12061 1 20 . 1 1 74 74 GLN N N 74 112.719 112.719 114.025 -1.306 18987 12062 1 20 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.136 0.042 18987 12063 1 20 . 1 1 74 74 GLN C C 74 176.883 176.883 177.123 -0.240 18987 12064 1 20 . 1 1 74 74 GLN CA C 74 57.250 57.250 57.919 -0.669 18987 12065 1 20 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.796 -0.366 18987 12066 1 20 . 1 1 74 74 GLN H H 74 7.918 7.918 7.700 0.218 18987 12067 1 20 . 1 1 75 75 THR N N 75 108.336 108.336 113.926 -5.590 18987 12068 1 20 . 1 1 75 75 THR HA H 75 4.410 4.410 4.452 -0.042 18987 12069 1 20 . 1 1 75 75 THR C C 75 174.619 174.619 174.490 0.129 18987 12070 1 20 . 1 1 75 75 THR CA C 75 61.760 61.760 61.722 0.038 18987 12071 1 20 . 1 1 75 75 THR CB C 75 69.950 69.950 70.142 -0.192 18987 12072 1 20 . 1 1 75 75 THR H H 75 7.620 7.620 7.561 0.059 18987 12073 1 20 . 1 1 76 76 LEU N N 76 122.754 122.754 120.780 1.974 18987 12074 1 20 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.728 -0.240 18987 12075 1 20 . 1 1 76 76 LEU C C 76 177.234 177.234 175.970 1.264 18987 12076 1 20 . 1 1 76 76 LEU CA C 76 54.190 54.190 53.078 1.112 18987 12077 1 20 . 1 1 76 76 LEU CB C 76 44.040 44.040 43.081 0.959 18987 12078 1 20 . 1 1 76 76 LEU H H 76 7.191 7.191 7.838 -0.647 18987 12079 1 20 . 1 1 77 77 SER N N 77 119.431 119.431 113.993 5.438 18987 12080 1 20 . 1 1 77 77 SER HA H 77 4.465 4.465 4.529 -0.064 18987 12081 1 20 . 1 1 77 77 SER C C 77 175.320 175.320 175.512 -0.192 18987 12082 1 20 . 1 1 77 77 SER CA C 77 57.360 57.360 57.684 -0.324 18987 12083 1 20 . 1 1 77 77 SER CB C 77 65.080 65.080 65.815 -0.735 18987 12084 1 20 . 1 1 77 77 SER H H 77 9.367 9.367 8.421 0.946 18987 12085 1 20 . 1 1 78 78 ASP N N 78 122.766 122.766 122.267 0.499 18987 12086 1 20 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.383 -0.188 18987 12087 1 20 . 1 1 78 78 ASP C C 78 178.211 178.211 177.829 0.382 18987 12088 1 20 . 1 1 78 78 ASP CA C 78 58.470 58.470 58.096 0.374 18987 12089 1 20 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.691 -1.231 18987 12090 1 20 . 1 1 78 78 ASP H H 78 9.055 9.055 8.915 0.140 18987 12091 1 20 . 1 1 79 79 ASP N N 79 117.917 117.917 119.408 -1.491 18987 12092 1 20 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.408 -0.133 18987 12093 1 20 . 1 1 79 79 ASP C C 79 179.179 179.179 177.918 1.261 18987 12094 1 20 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.315 0.685 18987 12095 1 20 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.874 -0.564 18987 12096 1 20 . 1 1 79 79 ASP H H 79 8.245 8.245 8.678 -0.433 18987 12097 1 20 . 1 1 80 80 GLU N N 80 120.229 120.229 119.044 1.185 18987 12098 1 20 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.318 -0.401 18987 12099 1 20 . 1 1 80 80 GLU C C 80 180.369 180.369 178.970 1.399 18987 12100 1 20 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.688 0.612 18987 12101 1 20 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.676 1.244 18987 12102 1 20 . 1 1 80 80 GLU H H 80 7.732 7.732 7.613 0.119 18987 12103 1 20 . 1 1 81 81 LYS N N 81 120.163 120.163 120.536 -0.373 18987 12104 1 20 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.291 -0.445 18987 12105 1 20 . 1 1 81 81 LYS C C 81 177.956 177.956 179.078 -1.122 18987 12106 1 20 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.658 1.282 18987 12107 1 20 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.511 1.109 18987 12108 1 20 . 1 1 81 81 LYS H H 81 8.340 8.340 7.661 0.679 18987 12109 1 20 . 1 1 82 82 LEU N N 82 117.478 117.478 119.460 -1.982 18987 12110 1 20 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.623 0.050 18987 12111 1 20 . 1 1 82 82 LEU C C 82 178.870 178.870 178.767 0.103 18987 12112 1 20 . 1 1 82 82 LEU CA C 82 57.770 57.770 58.130 -0.360 18987 12113 1 20 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.573 0.177 18987 12114 1 20 . 1 1 82 82 LEU H H 82 8.161 8.161 7.818 0.343 18987 12115 1 20 . 1 1 83 83 GLU N N 83 119.824 119.824 119.254 0.570 18987 12116 1 20 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.958 -0.218 18987 12117 1 20 . 1 1 83 83 GLU C C 83 179.009 179.009 179.384 -0.375 18987 12118 1 20 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.452 0.028 18987 12119 1 20 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.459 -0.119 18987 12120 1 20 . 1 1 83 83 GLU H H 83 7.999 7.999 7.751 0.248 18987 12121 1 20 . 1 1 84 84 LEU N N 84 119.684 119.684 119.846 -0.162 18987 12122 1 20 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.973 -0.031 18987 12123 1 20 . 1 1 84 84 LEU C C 84 179.264 179.264 179.203 0.061 18987 12124 1 20 . 1 1 84 84 LEU CA C 84 58.090 58.090 57.829 0.261 18987 12125 1 20 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.870 0.440 18987 12126 1 20 . 1 1 84 84 LEU H H 84 7.470 7.470 7.753 -0.283 18987 12127 1 20 . 1 1 85 85 LEU N N 85 119.086 119.086 118.642 0.444 18987 12128 1 20 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.704 -0.320 18987 12129 1 20 . 1 1 85 85 LEU C C 85 176.064 176.064 179.226 -3.162 18987 12130 1 20 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.300 0.560 18987 12131 1 20 . 1 1 85 85 LEU CB C 85 42.360 42.360 41.069 1.291 18987 12132 1 20 . 1 1 85 85 LEU H H 85 7.726 7.726 7.758 -0.032 18987 12133 1 20 . 1 1 86 86 SER N N 86 105.708 105.708 112.949 -7.241 18987 12134 1 20 . 1 1 86 86 SER HA H 86 4.283 4.283 4.749 -0.466 18987 12135 1 20 . 1 1 86 86 SER C C 86 176.351 176.351 175.916 0.435 18987 12136 1 20 . 1 1 86 86 SER CA C 86 60.380 60.380 60.473 -0.093 18987 12137 1 20 . 1 1 86 86 SER CB C 86 64.400 64.400 63.385 1.015 18987 12138 1 20 . 1 1 86 86 SER H H 86 7.617 7.617 8.004 -0.387 18987 12139 1 20 . 1 1 87 87 SER N N 87 115.392 115.392 115.049 0.343 18987 12140 1 20 . 1 1 87 87 SER HA H 87 4.345 4.345 4.458 -0.114 18987 12141 1 20 . 1 1 87 87 SER C C 87 174.534 174.534 174.340 0.194 18987 12142 1 20 . 1 1 87 87 SER CA C 87 59.820 59.820 60.340 -0.520 18987 12143 1 20 . 1 1 87 87 SER CB C 87 64.340 64.340 64.006 0.334 18987 12144 1 20 . 1 1 87 87 SER H H 87 7.644 7.644 7.786 -0.142 18987 12145 1 20 . 1 1 88 88 ASP N N 88 120.295 120.295 119.891 0.404 18987 12146 1 20 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.795 -0.191 18987 12147 1 20 . 1 1 88 88 ASP C C 88 175.618 175.618 176.040 -0.422 18987 12148 1 20 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.447 0.563 18987 12149 1 20 . 1 1 88 88 ASP CB C 88 41.020 41.020 43.057 -2.037 18987 12150 1 20 . 1 1 88 88 ASP H H 88 7.104 7.104 7.670 -0.566 18987 12151 1 20 . 1 1 89 89 GLY N N 89 111.841 111.841 111.673 0.168 18987 12152 1 20 . 1 1 89 89 GLY C C 89 176.171 176.171 175.222 0.949 18987 12153 1 20 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.450 1.230 18987 12154 1 20 . 1 1 89 89 GLY H H 89 9.325 9.325 8.845 0.480 18987 12155 1 20 . 1 1 90 90 MET N N 90 117.877 117.877 117.812 0.065 18987 12156 1 20 . 1 1 90 90 MET HA H 90 4.075 4.075 4.384 -0.309 18987 12157 1 20 . 1 1 90 90 MET C C 90 178.456 178.456 177.843 0.613 18987 12158 1 20 . 1 1 90 90 MET CA C 90 56.400 56.400 56.181 0.219 18987 12159 1 20 . 1 1 90 90 MET CB C 90 30.540 30.540 32.343 -1.803 18987 12160 1 20 . 1 1 90 90 MET H H 90 8.593 8.593 7.951 0.642 18987 12161 1 20 . 1 1 91 91 LEU N N 91 118.027 118.027 118.576 -0.549 18987 12162 1 20 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.191 0.088 18987 12163 1 20 . 1 1 91 91 LEU C C 91 176.298 176.298 177.126 -0.828 18987 12164 1 20 . 1 1 91 91 LEU CA C 91 55.460 55.460 56.388 -0.928 18987 12165 1 20 . 1 1 91 91 LEU CB C 91 43.130 43.130 42.065 1.065 18987 12166 1 20 . 1 1 91 91 LEU H H 91 8.224 8.224 7.644 0.580 18987 12167 1 20 . 1 1 92 92 VAL N N 92 120.960 120.960 117.048 3.912 18987 12168 1 20 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.086 -0.085 18987 12169 1 20 . 1 1 92 92 VAL C C 92 175.990 175.990 176.314 -0.324 18987 12170 1 20 . 1 1 92 92 VAL CA C 92 61.150 61.150 62.440 -1.290 18987 12171 1 20 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.431 -0.161 18987 12172 1 20 . 1 1 92 92 VAL H H 92 7.093 7.093 7.140 -0.047 18987 12173 1 20 . 1 1 93 93 LYS N N 93 130.687 130.687 125.169 5.518 18987 12174 1 20 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.143 -0.437 18987 12175 1 20 . 1 1 93 93 LYS C C 93 171.855 171.855 176.921 -5.066 18987 12176 1 20 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.382 1.538 18987 12177 1 20 . 1 1 93 93 LYS CB C 93 32.800 32.800 31.444 1.356 18987 12178 1 20 . 1 1 93 93 LYS H H 93 8.442 8.442 8.201 0.241 18987 12179 1 20 . 1 1 94 94 ARG N N 94 115.791 115.791 124.009 -8.218 18987 12180 1 20 . 1 1 94 94 ARG H H 94 7.676 7.676 8.306 -0.630 18987 12181 1 20 . 1 1 95 95 PRO C C 95 175.108 175.108 175.233 -0.125 18987 12182 1 20 . 1 1 96 96 LEU N N 96 128.494 128.494 125.768 2.726 18987 12183 1 20 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.282 -0.301 18987 12184 1 20 . 1 1 96 96 LEU C C 96 173.216 173.216 174.185 -0.969 18987 12185 1 20 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.294 1.576 18987 12186 1 20 . 1 1 96 96 LEU CB C 96 43.660 43.660 46.807 -3.147 18987 12187 1 20 . 1 1 96 96 LEU H H 96 8.246 8.246 8.297 -0.051 18987 12188 1 20 . 1 1 97 97 ALA N N 97 131.035 131.035 126.226 4.809 18987 12189 1 20 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.367 0.503 18987 12190 1 20 . 1 1 97 97 ALA C C 97 174.938 174.938 174.965 -0.027 18987 12191 1 20 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.324 -1.474 18987 12192 1 20 . 1 1 97 97 ALA CB C 97 20.070 20.070 22.022 -1.952 18987 12193 1 20 . 1 1 97 97 ALA H H 97 8.839 8.839 8.884 -0.045 18987 12194 1 20 . 1 1 98 98 VAL N N 98 119.830 119.830 124.751 -4.921 18987 12195 1 20 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.257 0.299 18987 12196 1 20 . 1 1 98 98 VAL C C 98 173.896 173.896 173.713 0.183 18987 12197 1 20 . 1 1 98 98 VAL CA C 98 59.270 59.270 60.150 -0.880 18987 12198 1 20 . 1 1 98 98 VAL CB C 98 35.970 35.970 36.374 -0.404 18987 12199 1 20 . 1 1 98 98 VAL H H 98 8.824 8.824 8.845 -0.021 18987 12200 1 20 . 1 1 99 99 MET N N 99 127.537 127.537 128.511 -0.974 18987 12201 1 20 . 1 1 99 99 MET HA H 99 4.430 4.430 4.908 -0.478 18987 12202 1 20 . 1 1 99 99 MET CA C 99 56.710 56.710 54.472 2.238 18987 12203 1 20 . 1 1 99 99 MET CB C 99 31.050 31.050 32.923 -1.873 18987 12204 1 20 . 1 1 99 99 MET H H 99 8.873 8.873 9.192 -0.319 18987 12205 1 20 . 1 1 100 100 GLY C C 100 173.024 173.024 174.671 -1.647 18987 12206 1 20 . 1 1 100 100 GLY CA C 100 47.970 47.970 47.318 0.652 18987 12207 1 20 . 1 1 101 101 ASP N N 101 124.308 124.308 123.453 0.855 18987 12208 1 20 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.769 -0.570 18987 12209 1 20 . 1 1 101 101 ASP C C 101 175.172 175.172 176.524 -1.352 18987 12210 1 20 . 1 1 101 101 ASP CA C 101 53.310 53.310 53.875 -0.565 18987 12211 1 20 . 1 1 101 101 ASP CB C 101 40.170 40.170 41.295 -1.125 18987 12212 1 20 . 1 1 101 101 ASP H H 101 8.257 8.257 8.189 0.068 18987 12213 1 20 . 1 1 102 102 LYS N N 102 121.002 121.002 120.131 0.871 18987 12214 1 20 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.687 -0.281 18987 12215 1 20 . 1 1 102 102 LYS C C 102 174.257 174.257 174.171 0.086 18987 12216 1 20 . 1 1 102 102 LYS CA C 102 55.370 55.370 54.851 0.519 18987 12217 1 20 . 1 1 102 102 LYS CB C 102 36.230 36.230 35.474 0.756 18987 12218 1 20 . 1 1 102 102 LYS H H 102 8.108 8.108 7.987 0.121 18987 12219 1 20 . 1 1 103 103 ILE N N 103 118.488 118.488 120.917 -2.429 18987 12220 1 20 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.135 0.724 18987 12221 1 20 . 1 1 103 103 ILE C C 103 173.652 173.652 174.057 -0.405 18987 12222 1 20 . 1 1 103 103 ILE CA C 103 58.620 58.620 59.838 -1.218 18987 12223 1 20 . 1 1 103 103 ILE CB C 103 42.250 42.250 42.148 0.103 18987 12224 1 20 . 1 1 103 103 ILE H H 103 8.038 8.038 8.139 -0.101 18987 12225 1 20 . 1 1 104 104 THR N N 104 115.441 115.441 118.888 -3.447 18987 12226 1 20 . 1 1 104 104 THR HA H 104 4.524 4.524 4.604 -0.080 18987 12227 1 20 . 1 1 104 104 THR C C 104 173.503 173.503 172.979 0.524 18987 12228 1 20 . 1 1 104 104 THR CA C 104 60.660 60.660 60.526 0.134 18987 12229 1 20 . 1 1 104 104 THR CB C 104 72.460 72.460 71.407 1.053 18987 12230 1 20 . 1 1 104 104 THR H H 104 9.360 9.360 9.016 0.344 18987 12231 1 20 . 1 1 105 105 LEU N N 105 123.352 123.352 127.069 -3.717 18987 12232 1 20 . 1 1 105 105 LEU HA H 105 5.023 5.023 4.616 0.407 18987 12233 1 20 . 1 1 105 105 LEU C C 105 178.860 178.860 178.262 0.598 18987 12234 1 20 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.257 -1.217 18987 12235 1 20 . 1 1 105 105 LEU CB C 105 44.290 44.290 44.266 0.024 18987 12236 1 20 . 1 1 105 105 LEU H H 105 8.857 8.857 8.599 0.258 18987 12237 1 20 . 1 1 106 106 GLY N N 106 108.363 108.363 111.312 -2.949 18987 12238 1 20 . 1 1 106 106 GLY C C 106 172.100 172.100 173.186 -1.086 18987 12239 1 20 . 1 1 106 106 GLY CA C 106 44.870 44.870 46.089 -1.219 18987 12240 1 20 . 1 1 106 106 GLY H H 106 8.241 8.241 8.515 -0.274 18987 12241 1 20 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.973 -0.285 18987 12242 1 20 . 1 1 107 107 PHE CA C 107 58.000 58.000 55.971 2.029 18987 12243 1 20 . 1 1 107 107 PHE CB C 107 41.620 41.620 39.141 2.479 18987 12244 1 20 . 1 1 108 108 LYS N N 108 129.677 129.677 128.043 1.634 18987 12245 1 20 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.439 -0.537 18987 12246 1 20 . 1 1 108 108 LYS CA C 108 54.650 54.650 55.084 -0.434 18987 12247 1 20 . 1 1 108 108 LYS CB C 108 34.130 34.130 32.396 1.734 18987 12248 1 20 . 1 1 108 108 LYS H H 108 7.351 7.351 8.732 -1.381 18987 12249 1 20 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.386 -0.426 18987 12250 1 20 . 1 1 109 109 GLU C C 109 177.255 177.255 177.637 -0.382 18987 12251 1 20 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.529 1.311 18987 12252 1 20 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.280 0.020 18987 12253 1 20 . 1 1 110 110 ASP N N 110 115.831 115.831 119.293 -3.462 18987 12254 1 20 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.334 -0.177 18987 12255 1 20 . 1 1 110 110 ASP C C 110 178.456 178.456 178.553 -0.097 18987 12256 1 20 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.366 -0.456 18987 12257 1 20 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.471 -1.261 18987 12258 1 20 . 1 1 110 110 ASP H H 110 8.654 8.654 8.319 0.335 18987 12259 1 20 . 1 1 111 111 GLN N N 111 119.458 119.458 118.359 1.099 18987 12260 1 20 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.947 0.134 18987 12261 1 20 . 1 1 111 111 GLN C C 111 179.189 179.189 178.568 0.621 18987 12262 1 20 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.490 -0.350 18987 12263 1 20 . 1 1 111 111 GLN CB C 111 28.850 28.850 28.084 0.766 18987 12264 1 20 . 1 1 111 111 GLN H H 111 6.993 6.993 7.808 -0.815 18987 12265 1 20 . 1 1 112 112 TYR N N 112 124.973 124.973 119.692 5.281 18987 12266 1 20 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.068 -0.141 18987 12267 1 20 . 1 1 112 112 TYR C C 112 178.254 178.254 177.981 0.273 18987 12268 1 20 . 1 1 112 112 TYR CA C 112 62.690 62.690 62.416 0.274 18987 12269 1 20 . 1 1 112 112 TYR CB C 112 36.660 36.660 38.422 -1.762 18987 12270 1 20 . 1 1 112 112 TYR H H 112 8.289 8.289 8.459 -0.170 18987 12271 1 20 . 1 1 113 113 LYS N N 113 118.329 118.329 118.643 -0.314 18987 12272 1 20 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.032 -0.119 18987 12273 1 20 . 1 1 113 113 LYS C C 113 178.296 178.296 179.001 -0.705 18987 12274 1 20 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.828 1.252 18987 12275 1 20 . 1 1 113 113 LYS CB C 113 32.810 32.810 31.678 1.132 18987 12276 1 20 . 1 1 113 113 LYS H H 113 8.310 8.310 8.083 0.227 18987 12277 1 20 . 1 1 114 114 GLU N N 114 115.605 115.605 119.729 -4.124 18987 12278 1 20 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.184 -0.288 18987 12279 1 20 . 1 1 114 114 GLU C C 114 177.308 177.308 178.212 -0.904 18987 12280 1 20 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.768 -0.458 18987 12281 1 20 . 1 1 114 114 GLU CB C 114 30.140 30.140 29.317 0.823 18987 12282 1 20 . 1 1 114 114 GLU H H 114 7.603 7.603 7.917 -0.314 18987 12283 1 20 . 1 1 115 115 THR N N 115 112.256 112.256 113.814 -1.558 18987 12284 1 20 . 1 1 115 115 THR HA H 115 3.666 3.666 4.087 -0.421 18987 12285 1 20 . 1 1 115 115 THR C C 115 174.672 174.672 175.345 -0.673 18987 12286 1 20 . 1 1 115 115 THR CA C 115 65.710 65.710 65.054 0.656 18987 12287 1 20 . 1 1 115 115 THR CB C 115 68.700 68.700 69.018 -0.318 18987 12288 1 20 . 1 1 115 115 THR H H 115 7.591 7.591 8.017 -0.426 18987 12289 1 20 . 1 1 116 116 TRP N N 116 116.495 116.495 120.128 -3.633 18987 12290 1 20 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.650 0.653 18987 12291 1 20 . 1 1 116 116 TRP C C 116 176.553 176.553 176.843 -0.290 18987 12292 1 20 . 1 1 116 116 TRP CA C 116 55.620 55.620 58.027 -2.407 18987 12293 1 20 . 1 1 116 116 TRP CB C 116 31.430 31.430 29.895 1.535 18987 12294 1 20 . 1 1 116 116 TRP H H 116 7.661 7.661 7.670 -0.009 18987 12295 1 20 . 1 1 117 117 LEU N N 117 116.588 116.588 117.809 -1.221 18987 12296 1 20 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.465 0.137 18987 12297 1 20 . 1 1 117 117 LEU C C 117 175.788 175.788 177.479 -1.691 18987 12298 1 20 . 1 1 117 117 LEU CA C 117 53.860 53.860 55.043 -1.183 18987 12299 1 20 . 1 1 117 117 LEU CB C 117 40.880 40.880 42.016 -1.136 18987 12300 1 20 . 1 1 117 117 LEU H H 117 6.922 6.922 7.455 -0.533 18987 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 101 2.746 0.120 2.757 18987 2 1 1 "Average Difference" HA 114 0.299 0.097 0.284 18987 3 1 1 "Average Difference" C 101 1.134 0.105 1.134 18987 4 1 1 "Average Difference" CA 108 1.028 -0.200 1.013 18987 5 1 1 "Average Difference" CB 102 1.316 -0.202 1.307 18987 6 1 1 "Average Difference" HN 101 0.497 -0.068 0.495 18987 7 1 2 "Average Difference" N 101 2.934 0.105 2.947 18987 8 1 2 "Average Difference" HA 114 0.312 0.110 0.294 18987 9 1 2 "Average Difference" C 101 1.189 0.128 1.188 18987 10 1 2 "Average Difference" CA 108 0.988 -0.193 0.973 18987 11 1 2 "Average Difference" CB 102 1.490 -0.284 1.470 18987 12 1 2 "Average Difference" HN 101 0.502 -0.057 0.501 18987 13 1 3 "Average Difference" N 101 2.906 -0.040 2.920 18987 14 1 3 "Average Difference" HA 114 0.316 0.111 0.298 18987 15 1 3 "Average Difference" C 101 1.184 0.080 1.187 18987 16 1 3 "Average Difference" CA 108 1.029 -0.188 1.016 18987 17 1 3 "Average Difference" CB 102 1.576 -0.278 1.559 18987 18 1 3 "Average Difference" HN 101 0.504 -0.050 0.504 18987 19 1 4 "Average Difference" N 101 2.880 0.021 2.895 18987 20 1 4 "Average Difference" HA 114 0.302 0.095 0.288 18987 21 1 4 "Average Difference" C 101 1.186 0.114 1.187 18987 22 1 4 "Average Difference" CA 108 1.027 -0.155 1.020 18987 23 1 4 "Average Difference" CB 102 1.521 -0.270 1.504 18987 24 1 4 "Average Difference" HN 101 0.510 -0.058 0.509 18987 25 1 5 "Average Difference" N 101 3.004 -0.002 3.019 18987 26 1 5 "Average Difference" HA 114 0.326 0.102 0.311 18987 27 1 5 "Average Difference" C 101 1.193 0.104 1.195 18987 28 1 5 "Average Difference" CA 108 1.073 -0.183 1.062 18987 29 1 5 "Average Difference" CB 102 1.486 -0.164 1.484 18987 30 1 5 "Average Difference" HN 101 0.518 -0.083 0.514 18987 31 1 6 "Average Difference" N 101 2.841 -0.022 2.856 18987 32 1 6 "Average Difference" HA 114 0.313 0.111 0.294 18987 33 1 6 "Average Difference" C 101 1.219 0.130 1.218 18987 34 1 6 "Average Difference" CA 108 1.142 -0.095 1.144 18987 35 1 6 "Average Difference" CB 102 1.519 -0.245 1.506 18987 36 1 6 "Average Difference" HN 101 0.507 -0.040 0.508 18987 37 1 7 "Average Difference" N 101 2.834 0.055 2.847 18987 38 1 7 "Average Difference" HA 114 0.318 0.108 0.301 18987 39 1 7 "Average Difference" C 101 1.142 0.098 1.143 18987 40 1 7 "Average Difference" CA 108 1.079 -0.216 1.062 18987 41 1 7 "Average Difference" CB 102 1.437 -0.195 1.431 18987 42 1 7 "Average Difference" HN 101 0.506 -0.039 0.507 18987 43 1 8 "Average Difference" N 101 2.777 0.040 2.791 18987 44 1 8 "Average Difference" HA 114 0.303 0.098 0.288 18987 45 1 8 "Average Difference" C 101 1.179 0.115 1.179 18987 46 1 8 "Average Difference" CA 108 1.013 -0.159 1.006 18987 47 1 8 "Average Difference" CB 102 1.486 -0.267 1.469 18987 48 1 8 "Average Difference" HN 101 0.506 -0.077 0.503 18987 49 1 9 "Average Difference" N 101 2.913 0.054 2.927 18987 50 1 9 "Average Difference" HA 114 0.297 0.096 0.282 18987 51 1 9 "Average Difference" C 101 1.176 0.082 1.179 18987 52 1 9 "Average Difference" CA 108 1.089 -0.170 1.080 18987 53 1 9 "Average Difference" CB 102 1.477 -0.253 1.462 18987 54 1 9 "Average Difference" HN 101 0.487 -0.064 0.485 18987 55 1 10 "Average Difference" N 101 2.844 0.004 2.858 18987 56 1 10 "Average Difference" HA 114 0.302 0.108 0.283 18987 57 1 10 "Average Difference" C 101 1.190 0.095 1.192 18987 58 1 10 "Average Difference" CA 108 1.012 -0.187 0.999 18987 59 1 10 "Average Difference" CB 102 1.512 -0.233 1.501 18987 60 1 10 "Average Difference" HN 101 0.495 -0.081 0.490 18987 61 1 11 "Average Difference" N 101 3.043 0.019 3.058 18987 62 1 11 "Average Difference" HA 114 0.312 0.107 0.294 18987 63 1 11 "Average Difference" C 101 1.173 0.108 1.174 18987 64 1 11 "Average Difference" CA 108 1.041 -0.135 1.037 18987 65 1 11 "Average Difference" CB 102 1.494 -0.172 1.491 18987 66 1 11 "Average Difference" HN 101 0.495 -0.065 0.494 18987 67 1 12 "Average Difference" N 101 2.844 0.075 2.857 18987 68 1 12 "Average Difference" HA 114 0.299 0.111 0.279 18987 69 1 12 "Average Difference" C 101 1.195 0.142 1.193 18987 70 1 12 "Average Difference" CA 108 1.037 -0.140 1.032 18987 71 1 12 "Average Difference" CB 102 1.479 -0.236 1.467 18987 72 1 12 "Average Difference" HN 101 0.492 -0.064 0.490 18987 73 1 13 "Average Difference" N 101 2.777 0.040 2.791 18987 74 1 13 "Average Difference" HA 114 0.319 0.092 0.307 18987 75 1 13 "Average Difference" C 101 1.178 0.074 1.181 18987 76 1 13 "Average Difference" CA 108 1.073 -0.139 1.069 18987 77 1 13 "Average Difference" CB 102 1.535 -0.254 1.521 18987 78 1 13 "Average Difference" HN 101 0.517 -0.085 0.512 18987 79 1 14 "Average Difference" N 101 2.993 0.058 3.008 18987 80 1 14 "Average Difference" HA 114 0.305 0.110 0.285 18987 81 1 14 "Average Difference" C 101 1.226 0.073 1.229 18987 82 1 14 "Average Difference" CA 108 1.035 -0.192 1.021 18987 83 1 14 "Average Difference" CB 102 1.419 -0.219 1.409 18987 84 1 14 "Average Difference" HN 101 0.528 -0.054 0.528 18987 85 1 15 "Average Difference" N 101 3.001 -0.038 3.016 18987 86 1 15 "Average Difference" HA 114 0.317 0.108 0.299 18987 87 1 15 "Average Difference" C 101 1.164 0.088 1.167 18987 88 1 15 "Average Difference" CA 108 0.970 -0.223 0.948 18987 89 1 15 "Average Difference" CB 102 1.468 -0.232 1.456 18987 90 1 15 "Average Difference" HN 101 0.508 -0.077 0.505 18987 91 1 16 "Average Difference" N 101 2.800 -0.010 2.814 18987 92 1 16 "Average Difference" HA 114 0.308 0.108 0.290 18987 93 1 16 "Average Difference" C 101 1.154 0.130 1.153 18987 94 1 16 "Average Difference" CA 108 1.004 -0.181 0.992 18987 95 1 16 "Average Difference" CB 102 1.509 -0.227 1.500 18987 96 1 16 "Average Difference" HN 101 0.493 -0.052 0.493 18987 97 1 17 "Average Difference" N 101 2.754 0.093 2.766 18987 98 1 17 "Average Difference" HA 114 0.293 0.092 0.280 18987 99 1 17 "Average Difference" C 101 1.134 0.121 1.133 18987 100 1 17 "Average Difference" CA 108 0.992 -0.156 0.984 18987 101 1 17 "Average Difference" CB 102 1.460 -0.247 1.446 18987 102 1 17 "Average Difference" HN 101 0.513 -0.044 0.514 18987 103 1 18 "Average Difference" N 101 2.832 -0.105 2.844 18987 104 1 18 "Average Difference" HA 114 0.308 0.098 0.294 18987 105 1 18 "Average Difference" C 101 1.175 0.108 1.176 18987 106 1 18 "Average Difference" CA 108 1.070 -0.183 1.059 18987 107 1 18 "Average Difference" CB 102 1.496 -0.258 1.481 18987 108 1 18 "Average Difference" HN 101 0.526 -0.069 0.524 18987 109 1 19 "Average Difference" N 101 2.940 0.096 2.953 18987 110 1 19 "Average Difference" HA 114 0.318 0.096 0.304 18987 111 1 19 "Average Difference" C 101 1.187 0.090 1.190 18987 112 1 19 "Average Difference" CA 108 1.055 -0.149 1.049 18987 113 1 19 "Average Difference" CB 102 1.538 -0.263 1.523 18987 114 1 19 "Average Difference" HN 101 0.532 -0.052 0.532 18987 115 1 20 "Average Difference" N 101 2.726 0.135 2.736 18987 116 1 20 "Average Difference" HA 114 0.301 0.090 0.288 18987 117 1 20 "Average Difference" C 101 1.150 0.135 1.148 18987 118 1 20 "Average Difference" CA 108 1.020 -0.117 1.018 18987 119 1 20 "Average Difference" CB 102 1.365 -0.251 1.348 18987 120 1 20 "Average Difference" HN 101 0.492 -0.072 0.489 18987 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 18987 _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 ILE N N 2 124.348 124.348 122.358 1.990 18987 2 1 . 1 1 2 2 ILE HA H 2 3.576 3.576 3.919 -0.343 18987 3 1 . 1 1 2 2 ILE C C 2 175.884 175.884 176.011 -0.127 18987 4 1 . 1 1 2 2 ILE CA C 2 62.790 62.790 61.987 0.803 18987 5 1 . 1 1 2 2 ILE CB C 2 40.400 40.400 37.230 3.170 18987 6 1 . 1 1 2 2 ILE H H 2 7.539 7.539 8.229 -0.690 18987 7 1 . 1 1 3 3 LYS N N 3 128.600 128.600 128.046 0.554 18987 8 1 . 1 1 3 3 LYS HA H 3 4.335 4.335 4.174 0.161 18987 9 1 . 1 1 3 3 LYS C C 3 173.322 173.322 175.781 -2.459 18987 10 1 . 1 1 3 3 LYS CA C 3 56.630 56.630 54.736 1.894 18987 11 1 . 1 1 3 3 LYS CB C 3 32.800 32.800 30.621 2.179 18987 12 1 . 1 1 3 3 LYS H H 3 8.524 8.524 8.538 -0.014 18987 13 1 . 1 1 4 4 PHE N N 4 128.560 128.560 127.610 0.950 18987 14 1 . 1 1 4 4 PHE HA H 4 4.835 4.835 4.764 0.071 18987 15 1 . 1 1 4 4 PHE C C 4 172.546 172.546 173.992 -1.446 18987 16 1 . 1 1 4 4 PHE CA C 4 56.570 56.570 55.870 0.700 18987 17 1 . 1 1 4 4 PHE CB C 4 42.600 42.600 38.906 3.694 18987 18 1 . 1 1 4 4 PHE H H 4 8.412 8.412 8.083 0.329 18987 19 1 . 1 1 5 5 TYR N N 5 125.785 125.785 127.518 -1.734 18987 20 1 . 1 1 5 5 TYR HA H 5 5.126 5.126 5.203 -0.077 18987 21 1 . 1 1 5 5 TYR C C 5 175.852 175.852 175.111 0.741 18987 22 1 . 1 1 5 5 TYR CA C 5 57.980 57.980 58.058 -0.078 18987 23 1 . 1 1 5 5 TYR CB C 5 38.550 38.550 39.061 -0.511 18987 24 1 . 1 1 5 5 TYR H H 5 9.313 9.313 8.491 0.822 18987 25 1 . 1 1 6 6 GLN N N 6 117.436 117.436 119.733 -2.297 18987 26 1 . 1 1 6 6 GLN HA H 6 4.622 4.622 4.970 -0.348 18987 27 1 . 1 1 6 6 GLN C C 6 171.951 171.951 173.640 -1.689 18987 28 1 . 1 1 6 6 GLN CA C 6 53.430 53.430 53.886 -0.456 18987 29 1 . 1 1 6 6 GLN CB C 6 30.490 30.490 32.467 -1.977 18987 30 1 . 1 1 6 6 GLN H H 6 9.110 9.110 8.740 0.370 18987 31 1 . 1 1 7 7 TYR N N 7 116.309 116.309 120.577 -4.268 18987 32 1 . 1 1 7 7 TYR HA H 7 4.953 4.953 4.865 0.088 18987 33 1 . 1 1 7 7 TYR CA C 7 56.130 56.130 58.298 -2.168 18987 34 1 . 1 1 7 7 TYR CB C 7 42.860 42.860 40.739 2.122 18987 35 1 . 1 1 7 7 TYR H H 7 7.075 7.075 8.514 -1.439 18987 36 1 . 1 1 12 12 THR HA H 12 3.868 3.868 3.956 -0.088 18987 37 1 . 1 1 12 12 THR C C 12 176.203 176.203 176.300 -0.097 18987 38 1 . 1 1 12 12 THR CA C 12 65.930 65.930 66.176 -0.246 18987 39 1 . 1 1 12 12 THR CB C 12 68.630 68.630 68.628 0.002 18987 40 1 . 1 1 13 13 CYS N N 13 116.721 116.721 120.219 -3.498 18987 41 1 . 1 1 13 13 CYS HA H 13 4.231 4.231 4.271 -0.040 18987 42 1 . 1 1 13 13 CYS C C 13 174.938 174.938 176.477 -1.539 18987 43 1 . 1 1 13 13 CYS CA C 13 63.790 63.790 62.752 1.038 18987 44 1 . 1 1 13 13 CYS CB C 13 33.590 33.590 27.357 6.233 18987 45 1 . 1 1 13 13 CYS H H 13 8.441 8.441 8.268 0.173 18987 46 1 . 1 1 14 14 LYS N N 14 119.429 119.429 119.453 -0.024 18987 47 1 . 1 1 14 14 LYS HA H 14 4.037 4.037 4.086 -0.049 18987 48 1 . 1 1 14 14 LYS C C 14 179.370 179.370 179.193 0.177 18987 49 1 . 1 1 14 14 LYS CA C 14 59.150 59.150 58.863 0.287 18987 50 1 . 1 1 14 14 LYS CB C 14 32.270 32.270 31.905 0.365 18987 51 1 . 1 1 14 14 LYS H H 14 7.805 7.805 7.889 -0.084 18987 52 1 . 1 1 15 15 LYS N N 15 119.379 119.379 119.442 -0.063 18987 53 1 . 1 1 15 15 LYS HA H 15 3.677 3.677 4.083 -0.406 18987 54 1 . 1 1 15 15 LYS C C 15 177.999 177.999 178.994 -0.995 18987 55 1 . 1 1 15 15 LYS CA C 15 59.270 59.270 58.914 0.356 18987 56 1 . 1 1 15 15 LYS CB C 15 32.630 32.630 31.993 0.637 18987 57 1 . 1 1 15 15 LYS H H 15 7.612 7.612 7.707 -0.095 18987 58 1 . 1 1 16 16 ALA N N 16 122.940 122.940 121.514 1.426 18987 59 1 . 1 1 16 16 ALA HA H 16 2.906 2.906 4.183 -1.277 18987 60 1 . 1 1 16 16 ALA C C 16 177.999 177.999 179.248 -1.249 18987 61 1 . 1 1 16 16 ALA CA C 16 54.370 54.370 54.959 -0.589 18987 62 1 . 1 1 16 16 ALA CB C 16 19.270 19.270 18.209 1.061 18987 63 1 . 1 1 16 16 ALA H H 16 7.346 7.346 8.142 -0.796 18987 64 1 . 1 1 17 17 ALA N N 17 120.093 120.093 120.411 -0.318 18987 65 1 . 1 1 17 17 ALA HA H 17 2.965 2.965 2.920 0.045 18987 66 1 . 1 1 17 17 ALA C C 17 178.466 178.466 179.057 -0.591 18987 67 1 . 1 1 17 17 ALA CA C 17 54.870 54.870 54.553 0.317 18987 68 1 . 1 1 17 17 ALA CB C 17 17.270 17.270 18.071 -0.801 18987 69 1 . 1 1 17 17 ALA H H 17 7.959 7.959 7.884 0.075 18987 70 1 . 1 1 18 18 LYS N N 18 115.894 115.894 119.689 -3.795 18987 71 1 . 1 1 18 18 LYS HA H 18 3.965 3.965 4.061 -0.096 18987 72 1 . 1 1 18 18 LYS C C 18 178.647 178.647 178.478 0.169 18987 73 1 . 1 1 18 18 LYS CA C 18 58.910 58.910 58.671 0.238 18987 74 1 . 1 1 18 18 LYS CB C 18 32.180 32.180 32.114 0.066 18987 75 1 . 1 1 18 18 LYS H H 18 7.565 7.565 7.772 -0.207 18987 76 1 . 1 1 19 19 PHE N N 19 120.854 120.854 120.299 0.555 18987 77 1 . 1 1 19 19 PHE HA H 19 4.239 4.239 4.303 -0.064 18987 78 1 . 1 1 19 19 PHE C C 19 176.925 176.925 177.438 -0.514 18987 79 1 . 1 1 19 19 PHE CA C 19 61.730 61.730 61.388 0.342 18987 80 1 . 1 1 19 19 PHE CB C 19 39.140 39.140 39.162 -0.022 18987 81 1 . 1 1 19 19 PHE H H 19 7.496 7.496 7.872 -0.376 18987 82 1 . 1 1 20 20 LEU N N 20 118.913 118.913 118.867 0.046 18987 83 1 . 1 1 20 20 LEU HA H 20 3.898 3.898 3.628 0.270 18987 84 1 . 1 1 20 20 LEU C C 20 179.657 179.657 178.430 1.227 18987 85 1 . 1 1 20 20 LEU CA C 20 58.330 58.330 57.862 0.468 18987 86 1 . 1 1 20 20 LEU CB C 20 40.460 40.460 41.040 -0.579 18987 87 1 . 1 1 20 20 LEU H H 20 8.012 8.012 7.874 0.138 18987 88 1 . 1 1 21 21 ASP N N 21 118.448 118.448 118.521 -0.073 18987 89 1 . 1 1 21 21 ASP HA H 21 4.456 4.456 4.417 0.039 18987 90 1 . 1 1 21 21 ASP C C 21 180.358 180.358 178.572 1.786 18987 91 1 . 1 1 21 21 ASP CA C 21 57.680 57.680 57.225 0.455 18987 92 1 . 1 1 21 21 ASP CB C 21 40.520 40.520 41.052 -0.532 18987 93 1 . 1 1 21 21 ASP H H 21 8.814 8.814 7.986 0.828 18987 94 1 . 1 1 22 22 GLU N N 22 122.661 122.661 119.345 3.316 18987 95 1 . 1 1 22 22 GLU HA H 22 3.742 3.742 4.047 -0.305 18987 96 1 . 1 1 22 22 GLU C C 22 178.371 178.371 178.204 0.167 18987 97 1 . 1 1 22 22 GLU CA C 22 59.240 59.240 58.757 0.483 18987 98 1 . 1 1 22 22 GLU CB C 22 28.780 28.780 29.623 -0.843 18987 99 1 . 1 1 22 22 GLU H H 22 8.544 8.544 7.812 0.732 18987 100 1 . 1 1 23 23 TYR N N 23 114.768 114.768 116.408 -1.640 18987 101 1 . 1 1 23 23 TYR HA H 23 4.250 4.250 4.407 -0.157 18987 102 1 . 1 1 23 23 TYR C C 23 175.724 175.724 175.661 0.064 18987 103 1 . 1 1 23 23 TYR CA C 23 59.070 59.070 58.458 0.612 18987 104 1 . 1 1 23 23 TYR CB C 23 39.020 39.020 38.512 0.508 18987 105 1 . 1 1 23 23 TYR H H 23 7.522 7.522 7.734 -0.212 18987 106 1 . 1 1 24 24 GLY N N 24 110.449 110.449 107.768 2.681 18987 107 1 . 1 1 24 24 GLY C C 24 174.534 174.534 174.620 -0.086 18987 108 1 . 1 1 24 24 GLY CA C 24 47.120 47.120 45.389 1.731 18987 109 1 . 1 1 24 24 GLY H H 24 7.792 7.792 7.394 0.398 18987 110 1 . 1 1 25 25 VAL N N 25 122.714 122.714 120.230 2.484 18987 111 1 . 1 1 25 25 VAL HA H 25 3.959 3.959 4.067 -0.108 18987 112 1 . 1 1 25 25 VAL C C 25 176.266 176.266 175.927 0.339 18987 113 1 . 1 1 25 25 VAL CA C 25 62.000 62.000 62.133 -0.133 18987 114 1 . 1 1 25 25 VAL CB C 25 32.480 32.480 32.368 0.112 18987 115 1 . 1 1 25 25 VAL H H 25 8.393 8.393 7.972 0.420 18987 116 1 . 1 1 26 26 SER N N 26 123.498 123.498 123.889 -0.391 18987 117 1 . 1 1 26 26 SER HA H 26 4.351 4.351 4.420 -0.069 18987 118 1 . 1 1 26 26 SER C C 26 173.513 173.513 173.402 0.111 18987 119 1 . 1 1 26 26 SER CA C 26 59.040 59.040 58.571 0.469 18987 120 1 . 1 1 26 26 SER CB C 26 63.530 63.530 62.451 1.079 18987 121 1 . 1 1 26 26 SER H H 26 8.559 8.559 8.632 -0.073 18987 122 1 . 1 1 27 27 TYR N N 27 119.756 119.756 121.456 -1.700 18987 123 1 . 1 1 27 27 TYR HA H 27 4.983 4.983 5.075 -0.092 18987 124 1 . 1 1 27 27 TYR C C 27 172.355 172.355 174.657 -2.302 18987 125 1 . 1 1 27 27 TYR CA C 27 55.750 55.750 54.769 0.981 18987 126 1 . 1 1 27 27 TYR CB C 27 40.730 40.730 40.863 -0.133 18987 127 1 . 1 1 27 27 TYR H H 27 7.838 7.838 7.837 0.001 18987 128 1 . 1 1 28 28 GLU N N 28 123.126 123.126 120.997 2.128 18987 129 1 . 1 1 28 28 GLU HA H 28 4.728 4.728 4.716 0.012 18987 130 1 . 1 1 28 28 GLU CA C 28 51.420 51.420 52.150 -0.730 18987 131 1 . 1 1 28 28 GLU CB C 28 31.790 31.790 31.529 0.261 18987 132 1 . 1 1 28 28 GLU H H 28 9.006 9.006 8.880 0.126 18987 133 1 . 1 1 29 29 PRO HA H 29 5.619 5.619 4.947 0.672 18987 134 1 . 1 1 29 29 PRO C C 29 177.276 177.276 176.123 1.153 18987 135 1 . 1 1 29 29 PRO CA C 29 61.820 61.820 62.951 -1.131 18987 136 1 . 1 1 29 29 PRO CB C 29 31.890 31.890 31.051 0.839 18987 137 1 . 1 1 30 30 ILE N N 30 127.043 127.043 119.224 7.819 18987 138 1 . 1 1 30 30 ILE HA H 30 4.104 4.104 4.350 -0.246 18987 139 1 . 1 1 30 30 ILE C C 30 174.948 174.948 174.258 0.690 18987 140 1 . 1 1 30 30 ILE CA C 30 60.360 60.360 58.584 1.776 18987 141 1 . 1 1 30 30 ILE CB C 30 42.210 42.210 40.628 1.582 18987 142 1 . 1 1 30 30 ILE H H 30 9.148 9.148 8.103 1.045 18987 143 1 . 1 1 31 31 ASP N N 31 128.946 128.946 123.764 5.182 18987 144 1 . 1 1 31 31 ASP HA H 31 4.892 4.892 5.372 -0.480 18987 145 1 . 1 1 31 31 ASP C C 31 176.373 176.373 177.345 -0.972 18987 146 1 . 1 1 31 31 ASP CA C 31 54.600 54.600 55.782 -1.182 18987 147 1 . 1 1 31 31 ASP CB C 31 42.920 42.920 41.894 1.026 18987 148 1 . 1 1 31 31 ASP H H 31 9.092 9.092 8.760 0.332 18987 149 1 . 1 1 32 32 ILE N N 32 127.576 127.576 126.647 0.929 18987 150 1 . 1 1 32 32 ILE HA H 32 4.092 4.092 4.176 -0.084 18987 151 1 . 1 1 32 32 ILE C C 32 174.013 174.013 176.384 -2.371 18987 152 1 . 1 1 32 32 ILE CA C 32 62.520 62.520 63.361 -0.841 18987 153 1 . 1 1 32 32 ILE CB C 32 40.750 40.750 38.711 2.039 18987 154 1 . 1 1 32 32 ILE H H 32 9.362 9.362 8.693 0.669 18987 155 1 . 1 1 33 33 VAL N N 33 123.498 123.498 118.036 5.462 18987 156 1 . 1 1 33 33 VAL HA H 33 3.643 3.643 3.888 -0.245 18987 157 1 . 1 1 33 33 VAL C C 33 176.819 176.819 177.438 -0.619 18987 158 1 . 1 1 33 33 VAL CA C 33 65.050 65.050 63.827 1.223 18987 159 1 . 1 1 33 33 VAL CB C 33 31.970 31.970 31.182 0.788 18987 160 1 . 1 1 33 33 VAL H H 33 8.445 8.445 8.008 0.437 18987 161 1 . 1 1 34 34 GLN N N 34 119.897 119.897 118.523 1.374 18987 162 1 . 1 1 34 34 GLN HA H 34 3.953 3.953 4.111 -0.158 18987 163 1 . 1 1 34 34 GLN C C 34 176.734 176.734 176.257 0.477 18987 164 1 . 1 1 34 34 GLN CA C 34 57.540 57.540 57.700 -0.160 18987 165 1 . 1 1 34 34 GLN CB C 34 29.860 29.860 29.229 0.631 18987 166 1 . 1 1 34 34 GLN H H 34 8.650 8.650 8.281 0.369 18987 167 1 . 1 1 35 35 HIS N N 35 118.090 118.090 117.757 0.333 18987 168 1 . 1 1 35 35 HIS HA H 35 4.964 4.964 4.906 0.058 18987 169 1 . 1 1 35 35 HIS C C 35 173.758 173.758 173.974 -0.216 18987 170 1 . 1 1 35 35 HIS CA C 35 53.660 53.660 54.620 -0.960 18987 171 1 . 1 1 35 35 HIS CB C 35 29.190 29.190 30.238 -1.048 18987 172 1 . 1 1 35 35 HIS H H 35 8.178 8.178 7.790 0.388 18987 173 1 . 1 1 36 36 THR N N 36 118.794 118.794 119.001 -0.207 18987 174 1 . 1 1 36 36 THR HA H 36 4.142 4.142 4.544 -0.402 18987 175 1 . 1 1 36 36 THR CA C 36 62.080 62.080 61.776 0.304 18987 176 1 . 1 1 36 36 THR CB C 36 70.180 70.180 68.906 1.274 18987 177 1 . 1 1 36 36 THR H H 36 7.468 7.468 7.739 -0.271 18987 178 1 . 1 1 37 37 PRO HA H 37 4.275 4.275 4.394 -0.119 18987 179 1 . 1 1 37 37 PRO C C 37 174.970 174.970 176.396 -1.426 18987 180 1 . 1 1 37 37 PRO CA C 37 62.970 62.970 62.441 0.529 18987 181 1 . 1 1 37 37 PRO CB C 37 29.430 29.430 31.737 -2.307 18987 182 1 . 1 1 38 38 THR N N 38 111.512 111.512 112.891 -1.379 18987 183 1 . 1 1 38 38 THR HA H 38 4.298 4.298 4.408 -0.110 18987 184 1 . 1 1 38 38 THR C C 38 175.756 175.756 176.540 -0.784 18987 185 1 . 1 1 38 38 THR CA C 38 60.700 60.700 61.091 -0.391 18987 186 1 . 1 1 38 38 THR CB C 38 71.560 71.560 70.148 1.412 18987 187 1 . 1 1 38 38 THR H H 38 8.220 8.220 7.993 0.227 18987 188 1 . 1 1 39 39 ILE N N 39 119.950 119.950 120.942 -0.992 18987 189 1 . 1 1 39 39 ILE HA H 39 3.677 3.677 3.850 -0.173 18987 190 1 . 1 1 39 39 ILE C C 39 177.871 177.871 177.919 -0.048 18987 191 1 . 1 1 39 39 ILE CA C 39 67.100 67.100 65.418 1.682 18987 192 1 . 1 1 39 39 ILE CB C 39 38.140 38.140 37.677 0.463 18987 193 1 . 1 1 39 39 ILE H H 39 8.763 8.763 8.624 0.139 18987 194 1 . 1 1 40 40 ASN N N 40 116.189 116.189 117.670 -1.481 18987 195 1 . 1 1 40 40 ASN HA H 40 4.349 4.349 4.453 -0.104 18987 196 1 . 1 1 40 40 ASN C C 40 178.445 178.445 177.564 0.881 18987 197 1 . 1 1 40 40 ASN CA C 40 56.330 56.330 56.487 -0.157 18987 198 1 . 1 1 40 40 ASN CB C 40 37.940 37.940 37.721 0.219 18987 199 1 . 1 1 40 40 ASN H H 40 8.180 8.180 8.393 -0.213 18987 200 1 . 1 1 41 41 GLU N N 41 121.970 121.970 120.600 1.370 18987 201 1 . 1 1 41 41 GLU HA H 41 3.915 3.915 4.050 -0.135 18987 202 1 . 1 1 41 41 GLU C C 41 180.093 180.093 178.978 1.115 18987 203 1 . 1 1 41 41 GLU CA C 41 59.590 59.590 59.054 0.536 18987 204 1 . 1 1 41 41 GLU CB C 41 29.750 29.750 29.189 0.561 18987 205 1 . 1 1 41 41 GLU H H 41 7.782 7.782 7.649 0.133 18987 206 1 . 1 1 42 42 PHE N N 42 118.929 118.929 119.294 -0.366 18987 207 1 . 1 1 42 42 PHE HA H 42 4.170 4.170 4.126 0.044 18987 208 1 . 1 1 42 42 PHE C C 42 178.488 178.488 177.500 0.988 18987 209 1 . 1 1 42 42 PHE CA C 42 63.020 63.020 61.938 1.082 18987 210 1 . 1 1 42 42 PHE CB C 42 39.230 39.230 38.750 0.480 18987 211 1 . 1 1 42 42 PHE H H 42 8.776 8.776 8.340 0.436 18987 212 1 . 1 1 43 43 LYS N N 43 118.820 118.820 118.110 0.710 18987 213 1 . 1 1 43 43 LYS HA H 43 3.795 3.795 3.997 -0.202 18987 214 1 . 1 1 43 43 LYS C C 43 179.816 179.816 179.127 0.689 18987 215 1 . 1 1 43 43 LYS CA C 43 61.150 61.150 59.632 1.518 18987 216 1 . 1 1 43 43 LYS CB C 43 32.240 32.240 31.914 0.326 18987 217 1 . 1 1 43 43 LYS H H 43 8.775 8.775 8.198 0.577 18987 218 1 . 1 1 44 44 THR N N 44 118.754 118.754 117.654 1.100 18987 219 1 . 1 1 44 44 THR HA H 44 3.894 3.894 4.065 -0.171 18987 220 1 . 1 1 44 44 THR C C 44 175.214 175.214 176.478 -1.264 18987 221 1 . 1 1 44 44 THR CA C 44 66.900 66.900 66.891 0.009 18987 222 1 . 1 1 44 44 THR CB C 44 68.920 68.920 68.813 0.107 18987 223 1 . 1 1 44 44 THR H H 44 7.959 7.959 7.958 0.001 18987 224 1 . 1 1 45 45 ILE N N 45 122.671 122.671 119.372 3.299 18987 225 1 . 1 1 45 45 ILE HA H 45 3.807 3.807 3.860 -0.053 18987 226 1 . 1 1 45 45 ILE C C 45 180.273 180.273 177.782 2.491 18987 227 1 . 1 1 45 45 ILE CA C 45 66.050 66.050 64.863 1.187 18987 228 1 . 1 1 45 45 ILE CB C 45 38.750 38.750 37.393 1.357 18987 229 1 . 1 1 45 45 ILE H H 45 8.100 8.100 7.769 0.331 18987 230 1 . 1 1 46 46 ILE N N 46 123.392 123.392 121.194 2.198 18987 231 1 . 1 1 46 46 ILE HA H 46 3.525 3.525 3.949 -0.424 18987 232 1 . 1 1 46 46 ILE C C 46 178.509 178.509 177.875 0.634 18987 233 1 . 1 1 46 46 ILE CA C 46 65.810 65.810 64.695 1.115 18987 234 1 . 1 1 46 46 ILE CB C 46 38.110 38.110 37.983 0.127 18987 235 1 . 1 1 46 46 ILE H H 46 8.778 8.778 8.126 0.652 18987 236 1 . 1 1 47 47 ALA N N 47 123.336 123.336 121.626 1.710 18987 237 1 . 1 1 47 47 ALA HA H 47 4.048 4.048 4.101 -0.053 18987 238 1 . 1 1 47 47 ALA C C 47 180.114 180.114 178.967 1.147 18987 239 1 . 1 1 47 47 ALA CA C 47 54.900 54.900 54.777 0.123 18987 240 1 . 1 1 47 47 ALA CB C 47 18.330 18.330 18.350 -0.020 18987 241 1 . 1 1 47 47 ALA H H 47 8.232 8.232 7.841 0.391 18987 242 1 . 1 1 48 48 ASN N N 48 114.090 114.090 115.797 -1.707 18987 243 1 . 1 1 48 48 ASN HA H 48 4.490 4.490 4.676 -0.186 18987 244 1 . 1 1 48 48 ASN C C 48 177.776 177.776 177.634 0.142 18987 245 1 . 1 1 48 48 ASN CA C 48 55.070 55.070 55.406 -0.336 18987 246 1 . 1 1 48 48 ASN CB C 48 38.670 38.670 39.331 -0.661 18987 247 1 . 1 1 48 48 ASN H H 48 8.464 8.464 8.113 0.351 18987 248 1 . 1 1 49 49 THR N N 49 106.742 106.742 110.053 -3.311 18987 249 1 . 1 1 49 49 THR HA H 49 4.471 4.471 4.535 -0.064 18987 250 1 . 1 1 49 49 THR C C 49 176.968 176.968 176.063 0.905 18987 251 1 . 1 1 49 49 THR CA C 49 62.550 62.550 63.305 -0.755 18987 252 1 . 1 1 49 49 THR CB C 49 72.150 72.150 70.393 1.757 18987 253 1 . 1 1 49 49 THR H H 49 8.035 8.035 8.036 -0.001 18987 254 1 . 1 1 50 50 GLY N N 50 112.246 112.246 111.573 0.673 18987 255 1 . 1 1 50 50 GLY C C 50 174.055 174.055 174.502 -0.447 18987 256 1 . 1 1 50 50 GLY CA C 50 45.940 45.940 45.226 0.714 18987 257 1 . 1 1 50 50 GLY H H 50 8.323 8.323 7.837 0.486 18987 258 1 . 1 1 51 51 VAL N N 51 121.212 121.212 119.473 1.739 18987 259 1 . 1 1 51 51 VAL HA H 51 3.875 3.875 4.156 -0.281 18987 260 1 . 1 1 51 51 VAL C C 51 173.120 173.120 175.692 -2.572 18987 261 1 . 1 1 51 51 VAL CA C 51 61.380 61.380 61.316 0.064 18987 262 1 . 1 1 51 51 VAL CB C 51 31.890 31.890 33.498 -1.608 18987 263 1 . 1 1 51 51 VAL H H 51 7.429 7.429 7.468 -0.039 18987 264 1 . 1 1 52 52 GLU N N 52 126.158 126.158 125.882 0.276 18987 265 1 . 1 1 52 52 GLU HA H 52 4.109 4.109 4.275 -0.166 18987 266 1 . 1 1 52 52 GLU C C 52 178.190 178.190 176.756 1.434 18987 267 1 . 1 1 52 52 GLU CA C 52 56.240 56.240 56.729 -0.489 18987 268 1 . 1 1 52 52 GLU CB C 52 30.190 30.190 29.896 0.294 18987 269 1 . 1 1 52 52 GLU H H 52 7.881 7.881 8.492 -0.611 18987 270 1 . 1 1 53 53 ILE N N 53 125.807 125.807 125.850 -0.043 18987 271 1 . 1 1 53 53 ILE HA H 53 3.424 3.424 3.857 -0.433 18987 272 1 . 1 1 53 53 ILE C C 53 177.425 177.425 176.807 0.619 18987 273 1 . 1 1 53 53 ILE CA C 53 65.780 65.780 63.420 2.360 18987 274 1 . 1 1 53 53 ILE CB C 53 37.960 37.960 38.100 -0.140 18987 275 1 . 1 1 53 53 ILE H H 53 8.430 8.430 8.769 -0.339 18987 276 1 . 1 1 54 54 ASN N N 54 116.588 116.588 117.910 -1.322 18987 277 1 . 1 1 54 54 ASN HA H 54 4.456 4.456 4.757 -0.301 18987 278 1 . 1 1 54 54 ASN C C 54 178.807 178.807 177.022 1.785 18987 279 1 . 1 1 54 54 ASN CA C 54 55.770 55.770 56.129 -0.359 18987 280 1 . 1 1 54 54 ASN CB C 54 37.140 37.140 37.893 -0.753 18987 281 1 . 1 1 54 54 ASN H H 54 8.585 8.585 8.546 0.039 18987 282 1 . 1 1 55 55 LYS N N 55 117.013 117.013 117.623 -0.610 18987 283 1 . 1 1 55 55 LYS HA H 55 4.102 4.102 4.179 -0.077 18987 284 1 . 1 1 55 55 LYS C C 55 176.819 176.819 177.213 -0.394 18987 285 1 . 1 1 55 55 LYS CA C 55 57.560 57.560 58.135 -0.574 18987 286 1 . 1 1 55 55 LYS CB C 55 32.180 32.180 31.719 0.461 18987 287 1 . 1 1 55 55 LYS H H 55 7.661 7.661 7.994 -0.333 18987 288 1 . 1 1 56 56 LEU N N 56 114.768 114.768 118.858 -4.089 18987 289 1 . 1 1 56 56 LEU HA H 56 3.927 3.927 4.253 -0.326 18987 290 1 . 1 1 56 56 LEU C C 56 176.702 176.702 176.769 -0.067 18987 291 1 . 1 1 56 56 LEU CA C 56 55.920 55.920 55.489 0.431 18987 292 1 . 1 1 56 56 LEU CB C 56 42.020 42.020 41.865 0.156 18987 293 1 . 1 1 56 56 LEU H H 56 7.690 7.690 7.229 0.461 18987 294 1 . 1 1 57 57 PHE N N 57 114.558 114.558 117.590 -3.032 18987 295 1 . 1 1 57 57 PHE HA H 57 4.448 4.448 4.690 -0.242 18987 296 1 . 1 1 57 57 PHE C C 57 176.319 176.319 176.814 -0.495 18987 297 1 . 1 1 57 57 PHE CA C 57 58.470 58.470 58.816 -0.346 18987 298 1 . 1 1 57 57 PHE CB C 57 40.700 40.700 39.706 0.994 18987 299 1 . 1 1 57 57 PHE H H 57 7.032 7.032 7.581 -0.549 18987 300 1 . 1 1 58 58 ASN N N 58 118.674 118.674 121.175 -2.501 18987 301 1 . 1 1 58 58 ASN HA H 58 4.486 4.486 4.585 -0.099 18987 302 1 . 1 1 58 58 ASN CA C 58 51.540 51.540 53.630 -2.090 18987 303 1 . 1 1 58 58 ASN CB C 58 36.910 36.910 38.139 -1.229 18987 304 1 . 1 1 58 58 ASN H H 58 8.659 8.659 8.625 0.034 18987 305 1 . 1 1 60 60 HIS HA H 60 4.562 4.562 4.333 0.229 18987 306 1 . 1 1 60 60 HIS C C 60 176.309 176.309 175.541 0.768 18987 307 1 . 1 1 60 60 HIS CA C 60 55.920 55.920 56.559 -0.639 18987 308 1 . 1 1 60 60 HIS CB C 60 30.890 30.890 29.383 1.507 18987 309 1 . 1 1 61 61 GLY N N 61 106.925 106.925 108.508 -1.583 18987 310 1 . 1 1 61 61 GLY CA C 61 45.180 45.180 45.158 0.022 18987 311 1 . 1 1 61 61 GLY H H 61 7.284 7.284 8.185 -0.901 18987 312 1 . 1 1 63 63 LYS HA H 63 4.048 4.048 4.151 -0.103 18987 313 1 . 1 1 63 63 LYS C C 63 177.435 177.435 178.669 -1.234 18987 314 1 . 1 1 63 63 LYS CA C 63 58.300 58.300 58.817 -0.517 18987 315 1 . 1 1 63 63 LYS CB C 63 31.160 31.160 32.680 -1.520 18987 316 1 . 1 1 64 64 TYR N N 64 119.737 119.737 120.425 -0.688 18987 317 1 . 1 1 64 64 TYR HA H 64 3.656 3.656 4.090 -0.434 18987 318 1 . 1 1 64 64 TYR C C 64 178.339 178.339 176.388 1.951 18987 319 1 . 1 1 64 64 TYR CA C 64 61.610 61.610 61.852 -0.241 18987 320 1 . 1 1 64 64 TYR CB C 64 38.900 38.900 38.632 0.268 18987 321 1 . 1 1 64 64 TYR H H 64 7.644 7.644 8.164 -0.520 18987 322 1 . 1 1 65 65 ARG N N 65 118.236 118.236 115.929 2.307 18987 323 1 . 1 1 65 65 ARG HA H 65 4.210 4.210 4.306 -0.096 18987 324 1 . 1 1 65 65 ARG C C 65 179.816 179.816 177.571 2.245 18987 325 1 . 1 1 65 65 ARG CA C 65 59.090 59.090 57.156 1.934 18987 326 1 . 1 1 65 65 ARG CB C 65 30.160 30.160 29.822 0.338 18987 327 1 . 1 1 65 65 ARG H H 65 7.358 7.358 7.757 -0.399 18987 328 1 . 1 1 66 66 GLU N N 66 123.063 123.063 120.929 2.134 18987 329 1 . 1 1 66 66 GLU HA H 66 3.917 3.917 4.175 -0.258 18987 330 1 . 1 1 66 66 GLU C C 66 178.626 178.626 177.869 0.757 18987 331 1 . 1 1 66 66 GLU CA C 66 59.450 59.450 58.730 0.720 18987 332 1 . 1 1 66 66 GLU CB C 66 29.690 29.690 29.655 0.035 18987 333 1 . 1 1 66 66 GLU H H 66 8.789 8.789 7.834 0.955 18987 334 1 . 1 1 67 67 LEU N N 67 115.817 115.817 117.145 -1.328 18987 335 1 . 1 1 67 67 LEU HA H 67 4.130 4.130 4.281 -0.151 18987 336 1 . 1 1 67 67 LEU C C 67 176.171 176.171 176.593 -0.422 18987 337 1 . 1 1 67 67 LEU CA C 67 54.750 54.750 55.093 -0.343 18987 338 1 . 1 1 67 67 LEU CB C 67 42.020 42.020 42.418 -0.398 18987 339 1 . 1 1 67 67 LEU H H 67 7.907 7.907 7.799 0.108 18987 340 1 . 1 1 68 68 ASP N N 68 118.063 118.063 116.661 1.402 18987 341 1 . 1 1 68 68 ASP HA H 68 4.414 4.414 4.256 0.158 18987 342 1 . 1 1 68 68 ASP C C 68 177.521 177.521 176.676 0.845 18987 343 1 . 1 1 68 68 ASP CA C 68 54.400 54.400 54.661 -0.261 18987 344 1 . 1 1 68 68 ASP CB C 68 39.640 39.640 39.148 0.492 18987 345 1 . 1 1 68 68 ASP H H 68 7.878 7.878 7.854 0.024 18987 346 1 . 1 1 69 69 LEU N N 69 115.724 115.724 118.680 -2.956 18987 347 1 . 1 1 69 69 LEU HA H 69 3.439 3.439 3.753 -0.314 18987 348 1 . 1 1 69 69 LEU C C 69 177.584 177.584 178.043 -0.459 18987 349 1 . 1 1 69 69 LEU CA C 69 57.480 57.480 57.270 0.210 18987 350 1 . 1 1 69 69 LEU CB C 69 38.700 38.700 41.110 -2.410 18987 351 1 . 1 1 69 69 LEU H H 69 7.285 7.285 7.628 -0.343 18987 352 1 . 1 1 70 70 LYS N N 70 119.751 119.751 118.628 1.123 18987 353 1 . 1 1 70 70 LYS HA H 70 3.961 3.961 3.659 0.302 18987 354 1 . 1 1 70 70 LYS C C 70 177.903 177.903 178.316 -0.413 18987 355 1 . 1 1 70 70 LYS CA C 70 59.480 59.480 58.710 0.770 18987 356 1 . 1 1 70 70 LYS CB C 70 31.980 31.980 31.558 0.422 18987 357 1 . 1 1 70 70 LYS H H 70 8.601 8.601 7.513 1.088 18987 358 1 . 1 1 71 71 ASN N N 71 113.386 113.386 116.290 -2.904 18987 359 1 . 1 1 71 71 ASN HA H 71 4.726 4.726 4.473 0.253 18987 360 1 . 1 1 71 71 ASN C C 71 176.808 176.808 176.816 -0.008 18987 361 1 . 1 1 71 71 ASN CA C 71 54.370 54.370 55.739 -1.369 18987 362 1 . 1 1 71 71 ASN CB C 71 39.960 39.960 38.443 1.517 18987 363 1 . 1 1 71 71 ASN H H 71 6.965 6.965 7.828 -0.863 18987 364 1 . 1 1 72 72 LYS N N 72 118.475 118.475 118.488 -0.013 18987 365 1 . 1 1 72 72 LYS HA H 72 4.149 4.149 4.192 -0.043 18987 366 1 . 1 1 72 72 LYS C C 72 178.849 178.849 178.262 0.587 18987 367 1 . 1 1 72 72 LYS CA C 72 57.920 57.920 58.448 -0.528 18987 368 1 . 1 1 72 72 LYS CB C 72 34.030 34.030 32.713 1.317 18987 369 1 . 1 1 72 72 LYS H H 72 8.113 8.113 7.490 0.623 18987 370 1 . 1 1 73 73 LEU N N 73 120.458 120.458 120.357 0.101 18987 371 1 . 1 1 73 73 LEU HA H 73 3.599 3.599 3.956 -0.357 18987 372 1 . 1 1 73 73 LEU C C 73 178.126 178.126 178.351 -0.225 18987 373 1 . 1 1 73 73 LEU CA C 73 58.830 58.830 57.263 1.567 18987 374 1 . 1 1 73 73 LEU CB C 73 40.900 40.900 41.636 -0.736 18987 375 1 . 1 1 73 73 LEU H H 73 8.549 8.549 8.151 0.398 18987 376 1 . 1 1 74 74 GLN N N 74 112.719 112.719 114.941 -2.222 18987 377 1 . 1 1 74 74 GLN HA H 74 4.178 4.178 4.121 0.057 18987 378 1 . 1 1 74 74 GLN C C 74 176.883 176.883 177.207 -0.324 18987 379 1 . 1 1 74 74 GLN CA C 74 57.250 57.250 57.994 -0.744 18987 380 1 . 1 1 74 74 GLN CB C 74 28.430 28.430 28.433 -0.003 18987 381 1 . 1 1 74 74 GLN H H 74 7.918 7.918 7.788 0.130 18987 382 1 . 1 1 75 75 THR N N 75 108.336 108.336 113.681 -5.345 18987 383 1 . 1 1 75 75 THR HA H 75 4.410 4.410 4.452 -0.042 18987 384 1 . 1 1 75 75 THR C C 75 174.619 174.619 174.793 -0.174 18987 385 1 . 1 1 75 75 THR CA C 75 61.760 61.760 62.116 -0.356 18987 386 1 . 1 1 75 75 THR CB C 75 69.950 69.950 70.016 -0.066 18987 387 1 . 1 1 75 75 THR H H 75 7.620 7.620 7.536 0.084 18987 388 1 . 1 1 76 76 LEU N N 76 122.754 122.754 120.219 2.535 18987 389 1 . 1 1 76 76 LEU HA H 76 4.488 4.488 4.616 -0.128 18987 390 1 . 1 1 76 76 LEU C C 76 177.234 177.234 176.106 1.128 18987 391 1 . 1 1 76 76 LEU CA C 76 54.190 54.190 53.668 0.522 18987 392 1 . 1 1 76 76 LEU CB C 76 44.040 44.040 42.344 1.696 18987 393 1 . 1 1 76 76 LEU H H 76 7.191 7.191 7.702 -0.511 18987 394 1 . 1 1 77 77 SER N N 77 119.431 119.431 114.614 4.817 18987 395 1 . 1 1 77 77 SER HA H 77 4.465 4.465 4.545 -0.080 18987 396 1 . 1 1 77 77 SER C C 77 175.320 175.320 175.434 -0.114 18987 397 1 . 1 1 77 77 SER CA C 77 57.360 57.360 57.728 -0.368 18987 398 1 . 1 1 77 77 SER CB C 77 65.080 65.080 64.699 0.381 18987 399 1 . 1 1 77 77 SER H H 77 9.367 9.367 8.301 1.066 18987 400 1 . 1 1 78 78 ASP N N 78 122.766 122.766 123.176 -0.410 18987 401 1 . 1 1 78 78 ASP HA H 78 4.195 4.195 4.371 -0.176 18987 402 1 . 1 1 78 78 ASP C C 78 178.211 178.211 177.853 0.358 18987 403 1 . 1 1 78 78 ASP CA C 78 58.470 58.470 58.042 0.428 18987 404 1 . 1 1 78 78 ASP CB C 78 39.460 39.460 40.765 -1.305 18987 405 1 . 1 1 78 78 ASP H H 78 9.055 9.055 8.896 0.159 18987 406 1 . 1 1 79 79 ASP N N 79 117.917 117.917 119.172 -1.255 18987 407 1 . 1 1 79 79 ASP HA H 79 4.275 4.275 4.383 -0.108 18987 408 1 . 1 1 79 79 ASP C C 79 179.179 179.179 178.093 1.086 18987 409 1 . 1 1 79 79 ASP CA C 79 58.000 58.000 57.445 0.555 18987 410 1 . 1 1 79 79 ASP CB C 79 40.310 40.310 40.753 -0.443 18987 411 1 . 1 1 79 79 ASP H H 79 8.245 8.245 8.705 -0.460 18987 412 1 . 1 1 80 80 GLU N N 80 120.229 120.229 119.101 1.128 18987 413 1 . 1 1 80 80 GLU HA H 80 3.917 3.917 4.303 -0.386 18987 414 1 . 1 1 80 80 GLU C C 80 180.369 180.369 179.000 1.369 18987 415 1 . 1 1 80 80 GLU CA C 80 59.300 59.300 58.758 0.542 18987 416 1 . 1 1 80 80 GLU CB C 80 30.920 30.920 29.657 1.263 18987 417 1 . 1 1 80 80 GLU H H 80 7.732 7.732 7.701 0.031 18987 418 1 . 1 1 81 81 LYS N N 81 120.163 120.163 120.343 -0.180 18987 419 1 . 1 1 81 81 LYS HA H 81 3.846 3.846 4.298 -0.452 18987 420 1 . 1 1 81 81 LYS C C 81 177.956 177.956 179.143 -1.187 18987 421 1 . 1 1 81 81 LYS CA C 81 60.940 60.940 59.635 1.305 18987 422 1 . 1 1 81 81 LYS CB C 81 33.620 33.620 32.529 1.091 18987 423 1 . 1 1 81 81 LYS H H 81 8.340 8.340 7.569 0.771 18987 424 1 . 1 1 82 82 LEU N N 82 117.478 117.478 119.414 -1.936 18987 425 1 . 1 1 82 82 LEU HA H 82 3.673 3.673 3.648 0.025 18987 426 1 . 1 1 82 82 LEU C C 82 178.870 178.870 178.755 0.115 18987 427 1 . 1 1 82 82 LEU CA C 82 57.770 57.770 58.072 -0.302 18987 428 1 . 1 1 82 82 LEU CB C 82 41.750 41.750 41.595 0.155 18987 429 1 . 1 1 82 82 LEU H H 82 8.161 8.161 7.892 0.269 18987 430 1 . 1 1 83 83 GLU N N 83 119.824 119.824 119.193 0.631 18987 431 1 . 1 1 83 83 GLU HA H 83 3.740 3.740 3.950 -0.210 18987 432 1 . 1 1 83 83 GLU C C 83 179.009 179.009 179.344 -0.336 18987 433 1 . 1 1 83 83 GLU CA C 83 59.480 59.480 59.448 0.032 18987 434 1 . 1 1 83 83 GLU CB C 83 29.340 29.340 29.471 -0.131 18987 435 1 . 1 1 83 83 GLU H H 83 7.999 7.999 7.775 0.224 18987 436 1 . 1 1 84 84 LEU N N 84 119.684 119.684 119.897 -0.213 18987 437 1 . 1 1 84 84 LEU HA H 84 3.942 3.942 3.955 -0.013 18987 438 1 . 1 1 84 84 LEU C C 84 179.264 179.264 179.108 0.156 18987 439 1 . 1 1 84 84 LEU CA C 84 58.090 58.090 57.908 0.182 18987 440 1 . 1 1 84 84 LEU CB C 84 42.310 42.310 41.872 0.438 18987 441 1 . 1 1 84 84 LEU H H 84 7.470 7.470 7.771 -0.301 18987 442 1 . 1 1 85 85 LEU N N 85 119.086 119.086 118.413 0.673 18987 443 1 . 1 1 85 85 LEU HA H 85 3.384 3.384 3.684 -0.300 18987 444 1 . 1 1 85 85 LEU C C 85 176.064 176.064 179.119 -3.055 18987 445 1 . 1 1 85 85 LEU CA C 85 57.860 57.860 57.236 0.624 18987 446 1 . 1 1 85 85 LEU CB C 85 42.360 42.360 40.990 1.370 18987 447 1 . 1 1 85 85 LEU H H 85 7.726 7.726 7.673 0.053 18987 448 1 . 1 1 86 86 SER N N 86 105.708 105.708 112.856 -7.148 18987 449 1 . 1 1 86 86 SER HA H 86 4.283 4.283 4.731 -0.448 18987 450 1 . 1 1 86 86 SER C C 86 176.351 176.351 176.004 0.347 18987 451 1 . 1 1 86 86 SER CA C 86 60.380 60.380 60.405 -0.025 18987 452 1 . 1 1 86 86 SER CB C 86 64.400 64.400 63.356 1.044 18987 453 1 . 1 1 86 86 SER H H 86 7.617 7.617 7.905 -0.288 18987 454 1 . 1 1 87 87 SER N N 87 115.392 115.392 115.914 -0.522 18987 455 1 . 1 1 87 87 SER HA H 87 4.345 4.345 4.426 -0.081 18987 456 1 . 1 1 87 87 SER C C 87 174.534 174.534 174.445 0.089 18987 457 1 . 1 1 87 87 SER CA C 87 59.820 59.820 60.558 -0.738 18987 458 1 . 1 1 87 87 SER CB C 87 64.340 64.340 63.975 0.365 18987 459 1 . 1 1 87 87 SER H H 87 7.644 7.644 7.804 -0.160 18987 460 1 . 1 1 88 88 ASP N N 88 120.295 120.295 119.846 0.450 18987 461 1 . 1 1 88 88 ASP HA H 88 4.604 4.604 4.783 -0.179 18987 462 1 . 1 1 88 88 ASP C C 88 175.618 175.618 176.083 -0.465 18987 463 1 . 1 1 88 88 ASP CA C 88 54.010 54.010 53.692 0.318 18987 464 1 . 1 1 88 88 ASP CB C 88 41.020 41.020 43.175 -2.155 18987 465 1 . 1 1 88 88 ASP H H 88 7.104 7.104 7.622 -0.518 18987 466 1 . 1 1 89 89 GLY N N 89 111.841 111.841 111.478 0.363 18987 467 1 . 1 1 89 89 GLY C C 89 176.171 176.171 175.031 1.140 18987 468 1 . 1 1 89 89 GLY CA C 89 47.680 47.680 46.632 1.048 18987 469 1 . 1 1 89 89 GLY H H 89 9.325 9.325 8.692 0.633 18987 470 1 . 1 1 90 90 MET N N 90 117.877 117.877 117.526 0.351 18987 471 1 . 1 1 90 90 MET HA H 90 4.075 4.075 4.362 -0.287 18987 472 1 . 1 1 90 90 MET C C 90 178.456 178.456 178.066 0.390 18987 473 1 . 1 1 90 90 MET CA C 90 56.400 56.400 56.296 0.105 18987 474 1 . 1 1 90 90 MET CB C 90 30.540 30.540 32.034 -1.494 18987 475 1 . 1 1 90 90 MET H H 90 8.593 8.593 7.727 0.866 18987 476 1 . 1 1 91 91 LEU N N 91 118.027 118.027 118.793 -0.766 18987 477 1 . 1 1 91 91 LEU HA H 91 4.279 4.279 4.215 0.064 18987 478 1 . 1 1 91 91 LEU C C 91 176.298 176.298 176.680 -0.382 18987 479 1 . 1 1 91 91 LEU CA C 91 55.460 55.460 56.311 -0.851 18987 480 1 . 1 1 91 91 LEU CB C 91 43.130 43.130 42.007 1.123 18987 481 1 . 1 1 91 91 LEU H H 91 8.224 8.224 7.563 0.661 18987 482 1 . 1 1 92 92 VAL N N 92 120.960 120.960 117.059 3.901 18987 483 1 . 1 1 92 92 VAL HA H 92 4.001 4.001 4.263 -0.262 18987 484 1 . 1 1 92 92 VAL C C 92 175.990 175.990 176.288 -0.298 18987 485 1 . 1 1 92 92 VAL CA C 92 61.150 61.150 61.236 -0.086 18987 486 1 . 1 1 92 92 VAL CB C 92 32.270 32.270 32.555 -0.285 18987 487 1 . 1 1 92 92 VAL H H 92 7.093 7.093 7.102 -0.009 18987 488 1 . 1 1 93 93 LYS N N 93 130.687 130.687 125.358 5.329 18987 489 1 . 1 1 93 93 LYS HA H 93 3.706 3.706 4.174 -0.468 18987 490 1 . 1 1 93 93 LYS C C 93 171.855 171.855 176.975 -5.120 18987 491 1 . 1 1 93 93 LYS CA C 93 57.920 57.920 56.488 1.432 18987 492 1 . 1 1 93 93 LYS CB C 93 32.800 32.800 31.699 1.101 18987 493 1 . 1 1 93 93 LYS H H 93 8.442 8.442 8.178 0.264 18987 494 1 . 1 1 94 94 ARG N N 94 115.791 115.791 123.666 -7.875 18987 495 1 . 1 1 94 94 ARG H H 94 7.676 7.676 8.425 -0.749 18987 496 1 . 1 1 95 95 PRO C C 95 175.108 175.108 175.370 -0.262 18987 497 1 . 1 1 96 96 LEU N N 96 128.494 128.494 125.970 2.524 18987 498 1 . 1 1 96 96 LEU HA H 96 4.981 4.981 5.414 -0.433 18987 499 1 . 1 1 96 96 LEU C C 96 173.216 173.216 174.229 -1.013 18987 500 1 . 1 1 96 96 LEU CA C 96 54.870 54.870 53.583 1.287 18987 501 1 . 1 1 96 96 LEU CB C 96 43.660 43.660 46.898 -3.238 18987 502 1 . 1 1 96 96 LEU H H 96 8.246 8.246 8.464 -0.218 18987 503 1 . 1 1 97 97 ALA N N 97 131.035 131.035 126.453 4.583 18987 504 1 . 1 1 97 97 ALA HA H 97 5.870 5.870 5.416 0.454 18987 505 1 . 1 1 97 97 ALA C C 97 174.938 174.938 174.942 -0.004 18987 506 1 . 1 1 97 97 ALA CA C 97 49.850 49.850 51.282 -1.432 18987 507 1 . 1 1 97 97 ALA CB C 97 20.070 20.070 22.274 -2.204 18987 508 1 . 1 1 97 97 ALA H H 97 8.839 8.839 8.992 -0.153 18987 509 1 . 1 1 98 98 VAL N N 98 119.830 119.830 124.399 -4.569 18987 510 1 . 1 1 98 98 VAL HA H 98 5.556 5.556 5.340 0.216 18987 511 1 . 1 1 98 98 VAL C C 98 173.896 173.896 173.613 0.284 18987 512 1 . 1 1 98 98 VAL CA C 98 59.270 59.270 60.079 -0.809 18987 513 1 . 1 1 98 98 VAL CB C 98 35.970 35.970 36.338 -0.368 18987 514 1 . 1 1 98 98 VAL H H 98 8.824 8.824 8.711 0.113 18987 515 1 . 1 1 99 99 MET N N 99 127.537 127.537 124.576 2.961 18987 516 1 . 1 1 99 99 MET HA H 99 4.430 4.430 4.984 -0.553 18987 517 1 . 1 1 99 99 MET CA C 99 56.710 56.710 54.075 2.635 18987 518 1 . 1 1 99 99 MET CB C 99 31.050 31.050 35.746 -4.696 18987 519 1 . 1 1 99 99 MET H H 99 8.873 8.873 8.989 -0.116 18987 520 1 . 1 1 100 100 GLY C C 100 173.024 173.024 174.320 -1.296 18987 521 1 . 1 1 100 100 GLY CA C 100 47.970 47.970 46.682 1.288 18987 522 1 . 1 1 101 101 ASP N N 101 124.308 124.308 117.808 6.500 18987 523 1 . 1 1 101 101 ASP HA H 101 4.199 4.199 4.748 -0.549 18987 524 1 . 1 1 101 101 ASP C C 101 175.172 175.172 175.898 -0.726 18987 525 1 . 1 1 101 101 ASP CA C 101 53.310 53.310 54.127 -0.817 18987 526 1 . 1 1 101 101 ASP CB C 101 40.170 40.170 41.492 -1.322 18987 527 1 . 1 1 101 101 ASP H H 101 8.257 8.257 8.299 -0.042 18987 528 1 . 1 1 102 102 LYS N N 102 121.002 121.002 119.446 1.556 18987 529 1 . 1 1 102 102 LYS HA H 102 4.406 4.406 4.644 -0.238 18987 530 1 . 1 1 102 102 LYS C C 102 174.257 174.257 174.286 -0.029 18987 531 1 . 1 1 102 102 LYS CA C 102 55.370 55.370 55.175 0.195 18987 532 1 . 1 1 102 102 LYS CB C 102 36.230 36.230 34.872 1.358 18987 533 1 . 1 1 102 102 LYS H H 102 8.108 8.108 7.915 0.193 18987 534 1 . 1 1 103 103 ILE N N 103 118.488 118.488 120.840 -2.352 18987 535 1 . 1 1 103 103 ILE HA H 103 5.859 5.859 5.217 0.642 18987 536 1 . 1 1 103 103 ILE C C 103 173.652 173.652 174.045 -0.393 18987 537 1 . 1 1 103 103 ILE CA C 103 58.620 58.620 59.977 -1.357 18987 538 1 . 1 1 103 103 ILE CB C 103 42.250 42.250 42.134 0.116 18987 539 1 . 1 1 103 103 ILE H H 103 8.038 8.038 8.182 -0.144 18987 540 1 . 1 1 104 104 THR N N 104 115.441 115.441 118.292 -2.851 18987 541 1 . 1 1 104 104 THR HA H 104 4.524 4.524 4.689 -0.165 18987 542 1 . 1 1 104 104 THR C C 104 173.503 173.503 172.711 0.793 18987 543 1 . 1 1 104 104 THR CA C 104 60.660 60.660 60.660 0.000 18987 544 1 . 1 1 104 104 THR CB C 104 72.460 72.460 71.710 0.750 18987 545 1 . 1 1 104 104 THR H H 104 9.360 9.360 9.219 0.142 18987 546 1 . 1 1 105 105 LEU N N 105 123.352 123.352 126.619 -3.267 18987 547 1 . 1 1 105 105 LEU HA H 105 5.023 5.023 4.778 0.245 18987 548 1 . 1 1 105 105 LEU C C 105 178.860 178.860 177.940 0.920 18987 549 1 . 1 1 105 105 LEU CA C 105 53.040 53.040 54.488 -1.448 18987 550 1 . 1 1 105 105 LEU CB C 105 44.290 44.290 43.896 0.394 18987 551 1 . 1 1 105 105 LEU H H 105 8.857 8.857 8.566 0.291 18987 552 1 . 1 1 106 106 GLY N N 106 108.363 108.363 112.414 -4.051 18987 553 1 . 1 1 106 106 GLY C C 106 172.100 172.100 173.544 -1.444 18987 554 1 . 1 1 106 106 GLY CA C 106 44.870 44.870 44.983 -0.113 18987 555 1 . 1 1 106 106 GLY H H 106 8.241 8.241 8.493 -0.252 18987 556 1 . 1 1 107 107 PHE HA H 107 4.688 4.688 4.741 -0.053 18987 557 1 . 1 1 107 107 PHE CA C 107 58.000 58.000 57.383 0.617 18987 558 1 . 1 1 107 107 PHE CB C 107 41.620 41.620 38.923 2.697 18987 559 1 . 1 1 108 108 LYS N N 108 129.677 129.677 128.274 1.403 18987 560 1 . 1 1 108 108 LYS HA H 108 3.902 3.902 4.204 -0.302 18987 561 1 . 1 1 108 108 LYS CA C 108 54.650 54.650 54.552 0.098 18987 562 1 . 1 1 108 108 LYS CB C 108 34.130 34.130 32.674 1.456 18987 563 1 . 1 1 108 108 LYS H H 108 7.351 7.351 7.429 -0.078 18987 564 1 . 1 1 109 109 GLU HA H 109 2.960 2.960 3.380 -0.420 18987 565 1 . 1 1 109 109 GLU C C 109 177.255 177.255 177.219 0.036 18987 566 1 . 1 1 109 109 GLU CA C 109 60.840 60.840 59.791 1.049 18987 567 1 . 1 1 109 109 GLU CB C 109 29.300 29.300 29.330 -0.030 18987 568 1 . 1 1 110 110 ASP N N 110 115.831 115.831 118.738 -2.907 18987 569 1 . 1 1 110 110 ASP HA H 110 4.157 4.157 4.268 -0.111 18987 570 1 . 1 1 110 110 ASP C C 110 178.456 178.456 178.336 0.120 18987 571 1 . 1 1 110 110 ASP CA C 110 56.910 56.910 57.530 -0.620 18987 572 1 . 1 1 110 110 ASP CB C 110 39.210 39.210 40.317 -1.107 18987 573 1 . 1 1 110 110 ASP H H 110 8.654 8.654 8.287 0.367 18987 574 1 . 1 1 111 111 GLN N N 111 119.458 119.458 117.511 1.947 18987 575 1 . 1 1 111 111 GLN HA H 111 4.081 4.081 3.939 0.141 18987 576 1 . 1 1 111 111 GLN C C 111 179.189 179.189 178.399 0.790 18987 577 1 . 1 1 111 111 GLN CA C 111 58.140 58.140 58.444 -0.304 18987 578 1 . 1 1 111 111 GLN CB C 111 28.850 28.850 28.016 0.834 18987 579 1 . 1 1 111 111 GLN H H 111 6.993 6.993 8.261 -1.268 18987 580 1 . 1 1 112 112 TYR N N 112 124.973 124.973 119.417 5.556 18987 581 1 . 1 1 112 112 TYR HA H 112 3.927 3.927 4.214 -0.287 18987 582 1 . 1 1 112 112 TYR C C 112 178.254 178.254 177.941 0.313 18987 583 1 . 1 1 112 112 TYR CA C 112 62.690 62.690 60.489 2.201 18987 584 1 . 1 1 112 112 TYR CB C 112 36.660 36.660 37.834 -1.174 18987 585 1 . 1 1 112 112 TYR H H 112 8.289 8.289 7.988 0.301 18987 586 1 . 1 1 113 113 LYS N N 113 118.329 118.329 118.847 -0.518 18987 587 1 . 1 1 113 113 LYS HA H 113 3.913 3.913 4.118 -0.205 18987 588 1 . 1 1 113 113 LYS C C 113 178.296 178.296 178.355 -0.059 18987 589 1 . 1 1 113 113 LYS CA C 113 60.080 60.080 58.648 1.432 18987 590 1 . 1 1 113 113 LYS CB C 113 32.810 32.810 31.879 0.931 18987 591 1 . 1 1 113 113 LYS H H 113 8.310 8.310 8.054 0.256 18987 592 1 . 1 1 114 114 GLU N N 114 115.605 115.605 118.929 -3.324 18987 593 1 . 1 1 114 114 GLU HA H 114 3.896 3.896 4.233 -0.337 18987 594 1 . 1 1 114 114 GLU C C 114 177.308 177.308 177.949 -0.641 18987 595 1 . 1 1 114 114 GLU CA C 114 58.310 58.310 58.584 -0.274 18987 596 1 . 1 1 114 114 GLU CB C 114 30.140 30.140 29.761 0.379 18987 597 1 . 1 1 114 114 GLU H H 114 7.603 7.603 7.893 -0.290 18987 598 1 . 1 1 115 115 THR N N 115 112.256 112.256 113.601 -1.345 18987 599 1 . 1 1 115 115 THR HA H 115 3.666 3.666 4.137 -0.471 18987 600 1 . 1 1 115 115 THR C C 115 174.672 174.672 175.425 -0.753 18987 601 1 . 1 1 115 115 THR CA C 115 65.710 65.710 64.707 1.003 18987 602 1 . 1 1 115 115 THR CB C 115 68.700 68.700 69.168 -0.468 18987 603 1 . 1 1 115 115 THR H H 115 7.591 7.591 7.823 -0.232 18987 604 1 . 1 1 116 116 TRP N N 116 116.495 116.495 120.252 -3.757 18987 605 1 . 1 1 116 116 TRP HA H 116 5.303 5.303 4.570 0.733 18987 606 1 . 1 1 116 116 TRP C C 116 176.553 176.553 176.947 -0.394 18987 607 1 . 1 1 116 116 TRP CA C 116 55.620 55.620 58.160 -2.540 18987 608 1 . 1 1 116 116 TRP CB C 116 31.430 31.430 29.999 1.431 18987 609 1 . 1 1 116 116 TRP H H 116 7.661 7.661 7.543 0.118 18987 610 1 . 1 1 117 117 LEU N N 117 116.588 116.588 117.567 -0.979 18987 611 1 . 1 1 117 117 LEU HA H 117 4.602 4.602 4.478 0.124 18987 612 1 . 1 1 117 117 LEU C C 117 175.788 175.788 177.004 -1.216 18987 613 1 . 1 1 117 117 LEU CA C 117 53.860 53.860 54.405 -0.545 18987 614 1 . 1 1 117 117 LEU CB C 117 40.880 40.880 42.590 -1.710 18987 615 1 . 1 1 117 117 LEU H H 117 6.922 6.922 7.539 -0.617 18987 stop_ save_