data_17818 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17818 _Entry.PDB_ID 2LGO 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 17818 _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 8 8 HIS CA C 8 54.700 54.700 56.751 -2.051 17818 2 1 1 . 1 1 8 8 HIS CB C 8 31.200 31.200 29.495 1.705 17818 3 1 1 . 1 1 9 9 MET N N 9 120.000 120.000 124.055 -4.055 17818 4 1 1 . 1 1 9 9 MET HA H 9 4.280 4.280 4.141 0.139 17818 5 1 1 . 1 1 9 9 MET CA C 9 55.500 55.500 55.684 -0.184 17818 6 1 1 . 1 1 9 9 MET CB C 9 32.500 32.500 33.924 -1.424 17818 7 1 1 . 1 1 9 9 MET H H 9 8.110 8.110 7.937 0.173 17818 8 1 1 . 1 1 10 10 GLY N N 10 109.800 109.800 104.982 4.818 17818 9 1 1 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.739 0.561 17818 10 1 1 . 1 1 10 10 GLY H H 10 8.440 8.440 7.950 0.490 17818 11 1 1 . 1 1 11 11 THR N N 11 113.600 113.600 114.052 -0.452 17818 12 1 1 . 1 1 11 11 THR HA H 11 4.330 4.330 4.589 -0.259 17818 13 1 1 . 1 1 11 11 THR CA C 11 62.000 62.000 61.747 0.253 17818 14 1 1 . 1 1 11 11 THR CB C 11 69.900 69.900 69.741 0.159 17818 15 1 1 . 1 1 11 11 THR H H 11 8.070 8.070 8.155 -0.085 17818 16 1 1 . 1 1 12 12 LEU N N 12 124.200 124.200 123.454 0.746 17818 17 1 1 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.234 0.086 17818 18 1 1 . 1 1 12 12 LEU CA C 12 55.500 55.500 56.079 -0.579 17818 19 1 1 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.374 -0.274 17818 20 1 1 . 1 1 12 12 LEU H H 12 8.380 8.380 8.403 -0.023 17818 21 1 1 . 1 1 13 13 GLU N N 13 121.600 121.600 118.583 3.017 17818 22 1 1 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.426 -0.226 17818 23 1 1 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.646 1.254 17818 24 1 1 . 1 1 13 13 GLU CB C 13 30.000 30.000 30.250 -0.250 17818 25 1 1 . 1 1 13 13 GLU H H 13 8.430 8.430 7.822 0.608 17818 26 1 1 . 1 1 14 14 ALA N N 14 124.400 124.400 127.141 -2.741 17818 27 1 1 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.283 -0.013 17818 28 1 1 . 1 1 14 14 ALA CA C 14 52.700 52.700 53.078 -0.378 17818 29 1 1 . 1 1 14 14 ALA CB C 14 19.100 19.100 19.515 -0.414 17818 30 1 1 . 1 1 14 14 ALA H H 14 8.290 8.290 8.444 -0.154 17818 31 1 1 . 1 1 15 15 GLN N N 15 119.100 119.100 116.022 3.078 17818 32 1 1 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.077 0.313 17818 33 1 1 . 1 1 15 15 GLN CA C 15 56.000 56.000 55.648 0.352 17818 34 1 1 . 1 1 15 15 GLN CB C 15 29.400 29.400 27.367 2.033 17818 35 1 1 . 1 1 15 15 GLN H H 15 8.370 8.370 8.314 0.056 17818 36 1 1 . 1 1 16 16 THR N N 16 114.900 114.900 110.062 4.838 17818 37 1 1 . 1 1 16 16 THR CA C 16 62.100 62.100 62.700 -0.600 17818 38 1 1 . 1 1 16 16 THR CB C 16 69.800 69.800 68.412 1.388 17818 39 1 1 . 1 1 16 16 THR H H 16 8.200 8.200 8.082 0.118 17818 40 1 1 . 1 1 17 17 GLN N N 17 122.200 122.200 121.293 0.907 17818 41 1 1 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.135 0.295 17818 42 1 1 . 1 1 17 17 GLN CA C 17 55.600 55.600 56.766 -1.166 17818 43 1 1 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.356 0.344 17818 44 1 1 . 1 1 17 17 GLN H H 17 8.420 8.420 8.178 0.242 17818 45 1 1 . 1 1 18 18 GLY N N 18 110.100 110.100 112.992 -2.892 17818 46 1 1 . 1 1 18 18 GLY CA C 18 44.600 44.600 45.215 -0.615 17818 47 1 1 . 1 1 18 18 GLY H H 18 8.360 8.360 8.162 0.198 17818 48 1 1 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.462 -0.022 17818 49 1 1 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.434 0.166 17818 50 1 1 . 1 1 19 19 PRO CB C 19 32.000 32.000 32.058 -0.058 17818 51 1 1 . 1 1 20 20 GLY N N 20 109.400 109.400 107.684 1.716 17818 52 1 1 . 1 1 20 20 GLY CA C 20 45.300 45.300 44.537 0.763 17818 53 1 1 . 1 1 20 20 GLY H H 20 8.630 8.630 7.654 0.976 17818 54 1 1 . 1 1 21 21 SER N N 21 115.400 115.400 117.013 -1.613 17818 55 1 1 . 1 1 21 21 SER CA C 21 63.800 63.800 58.878 4.922 17818 56 1 1 . 1 1 21 21 SER CB C 21 69.800 69.800 63.420 6.380 17818 57 1 1 . 1 1 21 21 SER H H 21 4.180 4.180 8.383 -4.203 17818 58 1 1 . 1 1 22 22 MET N N 22 121.900 121.900 126.127 -4.227 17818 59 1 1 . 1 1 22 22 MET CA C 22 55.500 55.500 55.202 0.298 17818 60 1 1 . 1 1 22 22 MET CB C 22 32.800 32.800 29.474 3.326 17818 61 1 1 . 1 1 22 22 MET H H 22 8.440 8.440 8.889 -0.449 17818 62 1 1 . 1 1 23 23 SER N N 23 116.600 116.600 116.365 0.235 17818 63 1 1 . 1 1 23 23 SER HA H 23 4.400 4.400 4.788 -0.388 17818 64 1 1 . 1 1 23 23 SER CA C 23 58.300 58.300 57.099 1.201 17818 65 1 1 . 1 1 23 23 SER CB C 23 63.700 63.700 65.569 -1.869 17818 66 1 1 . 1 1 23 23 SER H H 23 8.290 8.290 8.381 -0.091 17818 67 1 1 . 1 1 24 24 ALA N N 24 125.700 125.700 125.495 0.205 17818 68 1 1 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.098 0.192 17818 69 1 1 . 1 1 24 24 ALA CA C 24 52.100 52.100 52.445 -0.345 17818 70 1 1 . 1 1 24 24 ALA CB C 24 19.300 19.300 17.615 1.685 17818 71 1 1 . 1 1 24 24 ALA H H 24 8.200 8.200 8.331 -0.131 17818 72 1 1 . 1 1 25 25 GLN N N 25 118.300 118.300 122.781 -4.481 17818 73 1 1 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.340 0.170 17818 74 1 1 . 1 1 25 25 GLN CA C 25 54.200 54.200 55.249 -1.049 17818 75 1 1 . 1 1 25 25 GLN CB C 25 31.300 31.300 30.073 1.227 17818 76 1 1 . 1 1 25 25 GLN H H 25 8.280 8.280 7.914 0.366 17818 77 1 1 . 1 1 26 26 LEU N N 26 122.100 122.100 124.557 -2.457 17818 78 1 1 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.556 -0.096 17818 79 1 1 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.663 0.637 17818 80 1 1 . 1 1 26 26 LEU CB C 26 43.500 43.500 43.960 -0.460 17818 81 1 1 . 1 1 26 26 LEU H H 26 8.480 8.480 8.357 0.123 17818 82 1 1 . 1 1 27 27 GLU N N 27 125.300 125.300 125.063 0.237 17818 83 1 1 . 1 1 27 27 GLU CA C 27 55.300 55.300 54.434 0.866 17818 84 1 1 . 1 1 27 27 GLU CB C 27 32.400 32.400 32.286 0.114 17818 85 1 1 . 1 1 27 27 GLU H H 27 8.240 8.240 8.276 -0.036 17818 86 1 1 . 1 1 28 28 LYS N N 28 125.000 125.000 122.121 2.879 17818 87 1 1 . 1 1 28 28 LYS HA H 28 4.610 4.610 5.475 -0.865 17818 88 1 1 . 1 1 28 28 LYS CA C 28 54.500 54.500 54.731 -0.231 17818 89 1 1 . 1 1 28 28 LYS CB C 28 35.700 35.700 33.653 2.047 17818 90 1 1 . 1 1 28 28 LYS H H 28 8.810 8.810 8.484 0.326 17818 91 1 1 . 1 1 29 29 LYS N N 29 128.100 128.100 125.924 2.176 17818 92 1 1 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.531 0.499 17818 93 1 1 . 1 1 29 29 LYS CA C 29 55.000 55.000 55.044 -0.044 17818 94 1 1 . 1 1 29 29 LYS CB C 29 36.200 36.200 34.414 1.786 17818 95 1 1 . 1 1 29 29 LYS H H 29 8.850 8.850 8.642 0.208 17818 96 1 1 . 1 1 30 30 VAL N N 30 127.200 127.200 126.930 0.270 17818 97 1 1 . 1 1 30 30 VAL HA H 30 3.660 3.660 4.050 -0.390 17818 98 1 1 . 1 1 30 30 VAL CA C 30 64.800 64.800 63.136 1.664 17818 99 1 1 . 1 1 30 30 VAL CB C 30 31.600 31.600 32.093 -0.493 17818 100 1 1 . 1 1 30 30 VAL H H 30 9.170 9.170 8.888 0.282 17818 101 1 1 . 1 1 31 31 LEU N N 31 129.800 129.800 130.527 -0.727 17818 102 1 1 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.478 -0.038 17818 103 1 1 . 1 1 31 31 LEU CA C 31 56.000 56.000 56.171 -0.171 17818 104 1 1 . 1 1 31 31 LEU CB C 31 41.800 41.800 42.377 -0.577 17818 105 1 1 . 1 1 31 31 LEU H H 31 9.020 9.020 8.802 0.218 17818 106 1 1 . 1 1 32 32 THR N N 32 115.700 115.700 113.949 1.751 17818 107 1 1 . 1 1 32 32 THR CA C 32 59.300 59.300 60.641 -1.341 17818 108 1 1 . 1 1 32 32 THR CB C 32 72.500 72.500 70.496 2.005 17818 109 1 1 . 1 1 32 32 THR H H 32 8.220 8.220 8.015 0.205 17818 110 1 1 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.696 -0.406 17818 111 1 1 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.095 0.905 17818 112 1 1 . 1 1 33 33 PRO CB C 33 32.400 32.400 32.703 -0.303 17818 113 1 1 . 1 1 34 34 GLY N N 34 109.400 109.400 109.387 0.013 17818 114 1 1 . 1 1 34 34 GLY CA C 34 44.200 44.200 43.368 0.832 17818 115 1 1 . 1 1 34 34 GLY H H 34 9.010 9.010 7.850 1.160 17818 116 1 1 . 1 1 35 35 ASP N N 35 119.400 119.400 120.892 -1.492 17818 117 1 1 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.309 0.021 17818 118 1 1 . 1 1 35 35 ASP CA C 35 54.700 54.700 57.724 -3.025 17818 119 1 1 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.037 -1.637 17818 120 1 1 . 1 1 35 35 ASP H H 35 8.370 8.370 8.362 0.008 17818 121 1 1 . 1 1 36 36 GLY N N 36 107.900 107.900 106.706 1.194 17818 122 1 1 . 1 1 36 36 GLY CA C 36 46.000 46.000 46.334 -0.334 17818 123 1 1 . 1 1 36 36 GLY H H 36 8.750 8.750 8.460 0.290 17818 124 1 1 . 1 1 37 37 VAL N N 37 116.200 116.200 115.764 0.436 17818 125 1 1 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.141 0.359 17818 126 1 1 . 1 1 37 37 VAL CA C 37 62.500 62.500 63.888 -1.388 17818 127 1 1 . 1 1 37 37 VAL CB C 37 35.900 35.900 31.601 4.300 17818 128 1 1 . 1 1 37 37 VAL H H 37 8.590 8.590 7.296 1.294 17818 129 1 1 . 1 1 38 38 THR N N 38 126.400 126.400 113.847 12.553 17818 130 1 1 . 1 1 38 38 THR HA H 38 4.210 4.210 4.220 -0.010 17818 131 1 1 . 1 1 38 38 THR CA C 38 63.300 63.300 62.541 0.759 17818 132 1 1 . 1 1 38 38 THR CB C 38 65.800 65.800 69.258 -3.458 17818 133 1 1 . 1 1 38 38 THR H H 38 10.650 10.650 7.888 2.762 17818 134 1 1 . 1 1 39 39 LYS N N 39 127.000 127.000 123.885 3.115 17818 135 1 1 . 1 1 39 39 LYS CA C 39 53.400 53.400 53.288 0.112 17818 136 1 1 . 1 1 39 39 LYS CB C 39 33.200 33.200 33.578 -0.378 17818 137 1 1 . 1 1 39 39 LYS H H 39 8.390 8.390 8.248 0.142 17818 138 1 1 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.859 -0.659 17818 139 1 1 . 1 1 40 40 PRO CB C 40 33.300 33.300 32.184 1.116 17818 140 1 1 . 1 1 41 41 GLN N N 41 120.900 120.900 120.993 -0.093 17818 141 1 1 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.560 -0.100 17818 142 1 1 . 1 1 41 41 GLN CA C 41 53.700 53.700 53.887 -0.187 17818 143 1 1 . 1 1 41 41 GLN CB C 41 31.500 31.500 30.765 0.735 17818 144 1 1 . 1 1 41 41 GLN H H 41 8.750 8.750 8.263 0.487 17818 145 1 1 . 1 1 42 42 ALA N N 42 125.700 125.700 124.127 1.573 17818 146 1 1 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.189 -0.409 17818 147 1 1 . 1 1 42 42 ALA CA C 42 53.400 53.400 52.301 1.099 17818 148 1 1 . 1 1 42 42 ALA CB C 42 17.800 17.800 19.181 -1.381 17818 149 1 1 . 1 1 42 42 ALA H H 42 8.550 8.550 8.546 0.004 17818 150 1 1 . 1 1 43 43 GLY N N 43 109.700 109.700 107.255 2.445 17818 151 1 1 . 1 1 43 43 GLY CA C 43 45.200 45.200 45.274 -0.074 17818 152 1 1 . 1 1 43 43 GLY H H 43 8.970 8.970 8.831 0.139 17818 153 1 1 . 1 1 44 44 LYS N N 44 120.300 120.300 122.046 -1.746 17818 154 1 1 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.522 0.148 17818 155 1 1 . 1 1 44 44 LYS CA C 44 53.800 53.800 54.102 -0.302 17818 156 1 1 . 1 1 44 44 LYS CB C 44 34.100 34.100 33.736 0.364 17818 157 1 1 . 1 1 44 44 LYS H H 44 7.920 7.920 7.394 0.526 17818 158 1 1 . 1 1 45 45 LYS N N 45 120.800 120.800 123.438 -2.638 17818 159 1 1 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.278 0.242 17818 160 1 1 . 1 1 45 45 LYS CA C 45 56.300 56.300 55.680 0.620 17818 161 1 1 . 1 1 45 45 LYS CB C 45 32.900 32.900 31.941 0.959 17818 162 1 1 . 1 1 45 45 LYS H H 45 8.340 8.340 8.544 -0.204 17818 163 1 1 . 1 1 46 46 VAL N N 46 117.600 117.600 123.312 -5.712 17818 164 1 1 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.727 -0.167 17818 165 1 1 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.240 -0.340 17818 166 1 1 . 1 1 46 46 VAL CB C 46 33.900 33.900 33.983 -0.083 17818 167 1 1 . 1 1 46 46 VAL H H 46 8.560 8.560 8.567 -0.007 17818 168 1 1 . 1 1 47 47 THR N N 47 115.600 115.600 121.866 -6.266 17818 169 1 1 . 1 1 47 47 THR HA H 47 5.100 5.100 4.923 0.177 17818 170 1 1 . 1 1 47 47 THR CA C 47 61.600 61.600 62.481 -0.881 17818 171 1 1 . 1 1 47 47 THR CB C 47 69.800 69.800 68.810 0.990 17818 172 1 1 . 1 1 47 47 THR H H 47 8.130 8.130 8.548 -0.418 17818 173 1 1 . 1 1 48 48 VAL N N 48 118.100 118.100 122.193 -4.093 17818 174 1 1 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.282 0.508 17818 175 1 1 . 1 1 48 48 VAL CA C 48 58.000 58.000 58.373 -0.373 17818 176 1 1 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.398 0.102 17818 177 1 1 . 1 1 48 48 VAL H H 48 9.740 9.740 9.044 0.696 17818 178 1 1 . 1 1 49 49 HIS N N 49 119.000 119.000 117.170 1.830 17818 179 1 1 . 1 1 49 49 HIS HA H 49 5.810 5.810 4.890 0.920 17818 180 1 1 . 1 1 49 49 HIS CA C 49 54.600 54.600 54.279 0.321 17818 181 1 1 . 1 1 49 49 HIS CB C 49 35.600 35.600 33.715 1.885 17818 182 1 1 . 1 1 49 49 HIS H H 49 8.630 8.630 8.296 0.334 17818 183 1 1 . 1 1 50 50 TYR N N 50 116.800 116.800 120.629 -3.829 17818 184 1 1 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.700 0.530 17818 185 1 1 . 1 1 50 50 TYR CA C 50 56.000 56.000 56.221 -0.221 17818 186 1 1 . 1 1 50 50 TYR CB C 50 43.500 43.500 42.317 1.183 17818 187 1 1 . 1 1 50 50 TYR H H 50 9.870 9.870 9.017 0.853 17818 188 1 1 . 1 1 51 51 ASP N N 51 120.400 120.400 121.351 -0.951 17818 189 1 1 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.968 -0.018 17818 190 1 1 . 1 1 51 51 ASP CA C 51 54.400 54.400 53.619 0.781 17818 191 1 1 . 1 1 51 51 ASP CB C 51 44.900 44.900 45.074 -0.174 17818 192 1 1 . 1 1 51 51 ASP H H 51 8.840 8.840 8.851 -0.011 17818 193 1 1 . 1 1 52 52 GLY N N 52 112.500 112.500 110.047 2.453 17818 194 1 1 . 1 1 52 52 GLY CA C 52 45.300 45.300 45.002 0.298 17818 195 1 1 . 1 1 52 52 GLY H H 52 9.130 9.130 8.705 0.425 17818 196 1 1 . 1 1 53 53 ARG N N 53 125.200 125.200 124.535 0.665 17818 197 1 1 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.656 0.374 17818 198 1 1 . 1 1 53 53 ARG CA C 53 53.900 53.900 55.123 -1.223 17818 199 1 1 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.666 0.134 17818 200 1 1 . 1 1 53 53 ARG H H 53 9.370 9.370 8.574 0.796 17818 201 1 1 . 1 1 54 54 PHE N N 54 119.400 119.400 122.505 -3.105 17818 202 1 1 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.951 -0.711 17818 203 1 1 . 1 1 54 54 PHE CA C 54 57.300 57.300 56.194 1.106 17818 204 1 1 . 1 1 54 54 PHE CB C 54 37.700 37.700 38.952 -1.252 17818 205 1 1 . 1 1 54 54 PHE H H 54 8.770 8.770 8.600 0.170 17818 206 1 1 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.218 0.062 17818 207 1 1 . 1 1 55 55 PRO CA C 55 65.700 65.700 65.138 0.562 17818 208 1 1 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.782 0.018 17818 209 1 1 . 1 1 56 56 ASP N N 56 113.600 113.600 117.759 -4.159 17818 210 1 1 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.457 0.013 17818 211 1 1 . 1 1 56 56 ASP CA C 56 53.900 53.900 54.915 -1.015 17818 212 1 1 . 1 1 56 56 ASP CB C 56 39.800 39.800 41.258 -1.458 17818 213 1 1 . 1 1 56 56 ASP H H 56 7.780 7.780 8.121 -0.341 17818 214 1 1 . 1 1 57 57 GLY N N 57 108.700 108.700 106.639 2.061 17818 215 1 1 . 1 1 57 57 GLY CA C 57 44.900 44.900 44.652 0.248 17818 216 1 1 . 1 1 57 57 GLY H H 57 8.440 8.440 8.052 0.388 17818 217 1 1 . 1 1 58 58 LYS N N 58 122.800 122.800 124.845 -2.045 17818 218 1 1 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.213 0.037 17818 219 1 1 . 1 1 58 58 LYS CA C 58 57.500 57.500 56.621 0.879 17818 220 1 1 . 1 1 58 58 LYS CB C 58 32.600 32.600 32.849 -0.249 17818 221 1 1 . 1 1 58 58 LYS H H 58 8.230 8.230 7.852 0.378 17818 222 1 1 . 1 1 59 59 GLN N N 59 125.800 125.800 124.034 1.766 17818 223 1 1 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.345 0.105 17818 224 1 1 . 1 1 59 59 GLN CA C 59 56.300 56.300 56.088 0.212 17818 225 1 1 . 1 1 59 59 GLN CB C 59 30.900 30.900 29.308 1.592 17818 226 1 1 . 1 1 59 59 GLN H H 59 8.810 8.810 8.409 0.401 17818 227 1 1 . 1 1 60 60 PHE N N 60 121.200 121.200 124.320 -3.120 17818 228 1 1 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.544 0.556 17818 229 1 1 . 1 1 60 60 PHE CA C 60 56.500 56.500 60.249 -3.749 17818 230 1 1 . 1 1 60 60 PHE CB C 60 40.900 40.900 39.925 0.975 17818 231 1 1 . 1 1 60 60 PHE H H 60 8.340 8.340 8.457 -0.117 17818 232 1 1 . 1 1 61 61 ASP N N 61 119.100 119.100 117.639 1.461 17818 233 1 1 . 1 1 61 61 ASP CA C 61 54.700 54.700 54.045 0.655 17818 234 1 1 . 1 1 61 61 ASP CB C 61 44.200 44.200 42.585 1.615 17818 235 1 1 . 1 1 61 61 ASP H H 61 7.030 7.030 7.759 -0.729 17818 236 1 1 . 1 1 62 62 SER N N 62 117.400 117.400 121.058 -3.658 17818 237 1 1 . 1 1 62 62 SER CA C 62 57.000 57.000 58.149 -1.149 17818 238 1 1 . 1 1 62 62 SER CB C 62 64.800 64.800 63.096 1.704 17818 239 1 1 . 1 1 62 62 SER H H 62 8.100 8.100 8.598 -0.498 17818 240 1 1 . 1 1 63 63 SER N N 63 123.600 123.600 121.889 1.711 17818 241 1 1 . 1 1 63 63 SER HA H 63 4.200 4.200 4.416 -0.216 17818 242 1 1 . 1 1 63 63 SER CA C 63 61.300 61.300 60.412 0.888 17818 243 1 1 . 1 1 63 63 SER CB C 63 61.300 61.300 63.154 -1.854 17818 244 1 1 . 1 1 63 63 SER H H 63 8.070 8.070 8.478 -0.408 17818 245 1 1 . 1 1 64 64 ARG N N 64 124.000 124.000 121.512 2.488 17818 246 1 1 . 1 1 64 64 ARG HA H 64 3.620 3.620 4.189 -0.569 17818 247 1 1 . 1 1 64 64 ARG CA C 64 59.300 59.300 59.075 0.225 17818 248 1 1 . 1 1 64 64 ARG CB C 64 28.800 28.800 29.009 -0.209 17818 249 1 1 . 1 1 64 64 ARG H H 64 8.810 8.810 8.813 -0.003 17818 250 1 1 . 1 1 65 65 SER N N 65 114.600 114.600 116.090 -1.490 17818 251 1 1 . 1 1 65 65 SER HA H 65 4.190 4.190 4.377 -0.187 17818 252 1 1 . 1 1 65 65 SER CA C 65 60.700 60.700 60.342 0.358 17818 253 1 1 . 1 1 65 65 SER CB C 65 62.700 62.700 63.026 -0.326 17818 254 1 1 . 1 1 65 65 SER H H 65 7.800 7.800 7.919 -0.119 17818 255 1 1 . 1 1 66 66 ARG N N 66 118.000 118.000 118.509 -0.509 17818 256 1 1 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.342 0.078 17818 257 1 1 . 1 1 66 66 ARG CA C 66 57.100 57.100 55.991 1.109 17818 258 1 1 . 1 1 66 66 ARG CB C 66 31.500 31.500 30.379 1.121 17818 259 1 1 . 1 1 66 66 ARG H H 66 7.110 7.110 7.268 -0.158 17818 260 1 1 . 1 1 67 67 GLY N N 67 106.700 106.700 108.024 -1.324 17818 261 1 1 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.914 -0.115 17818 262 1 1 . 1 1 67 67 GLY H H 67 7.800 7.800 7.828 -0.028 17818 263 1 1 . 1 1 68 68 LYS N N 68 117.600 117.600 120.802 -3.202 17818 264 1 1 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.686 0.324 17818 265 1 1 . 1 1 68 68 LYS CA C 68 53.100 53.100 53.085 0.015 17818 266 1 1 . 1 1 68 68 LYS CB C 68 34.900 34.900 33.884 1.016 17818 267 1 1 . 1 1 68 68 LYS H H 68 7.440 7.440 7.611 -0.171 17818 268 1 1 . 1 1 69 69 PRO HA H 69 4.060 4.060 4.584 -0.524 17818 269 1 1 . 1 1 69 69 PRO CA C 69 62.700 62.700 62.095 0.605 17818 270 1 1 . 1 1 69 69 PRO CB C 69 32.300 32.300 32.340 -0.040 17818 271 1 1 . 1 1 70 70 PHE N N 70 123.200 123.200 126.573 -3.373 17818 272 1 1 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.795 0.245 17818 273 1 1 . 1 1 70 70 PHE CA C 70 57.100 57.100 57.005 0.095 17818 274 1 1 . 1 1 70 70 PHE CB C 70 42.900 42.900 42.214 0.686 17818 275 1 1 . 1 1 70 70 PHE H H 70 9.180 9.180 8.795 0.385 17818 276 1 1 . 1 1 71 71 GLN N N 71 126.000 126.000 121.151 4.849 17818 277 1 1 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.387 0.363 17818 278 1 1 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.096 -0.796 17818 279 1 1 . 1 1 71 71 GLN CB C 71 32.900 32.900 32.205 0.695 17818 280 1 1 . 1 1 71 71 GLN H H 71 8.020 8.020 7.241 0.779 17818 281 1 1 . 1 1 72 72 PHE N N 72 116.800 116.800 118.663 -1.863 17818 282 1 1 . 1 1 72 72 PHE HA H 72 4.700 4.700 4.859 -0.159 17818 283 1 1 . 1 1 72 72 PHE CA C 72 55.500 55.500 56.680 -1.180 17818 284 1 1 . 1 1 72 72 PHE CB C 72 40.900 40.900 40.983 -0.083 17818 285 1 1 . 1 1 72 72 PHE H H 72 8.110 8.110 8.855 -0.745 17818 286 1 1 . 1 1 73 73 THR N N 73 118.800 118.800 118.961 -0.161 17818 287 1 1 . 1 1 73 73 THR HA H 73 3.960 3.960 4.458 -0.498 17818 288 1 1 . 1 1 73 73 THR CA C 73 62.600 62.600 63.693 -1.093 17818 289 1 1 . 1 1 73 73 THR CB C 73 67.500 67.500 68.449 -0.949 17818 290 1 1 . 1 1 73 73 THR H H 73 9.080 9.080 8.657 0.423 17818 291 1 1 . 1 1 74 74 LEU N N 74 132.500 132.500 129.665 2.835 17818 292 1 1 . 1 1 74 74 LEU HA H 74 4.140 4.140 3.998 0.142 17818 293 1 1 . 1 1 74 74 LEU CA C 74 56.800 56.800 55.946 0.854 17818 294 1 1 . 1 1 74 74 LEU CB C 74 41.800 41.800 42.421 -0.621 17818 295 1 1 . 1 1 74 74 LEU H H 74 8.220 8.220 8.343 -0.123 17818 296 1 1 . 1 1 75 75 GLY N N 75 118.100 118.100 113.860 4.240 17818 297 1 1 . 1 1 75 75 GLY CA C 75 46.200 46.200 44.928 1.272 17818 298 1 1 . 1 1 75 75 GLY H H 75 9.850 9.850 8.628 1.222 17818 299 1 1 . 1 1 76 76 ALA N N 76 120.600 120.600 124.059 -3.459 17818 300 1 1 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.682 -0.182 17818 301 1 1 . 1 1 76 76 ALA CA C 76 51.900 51.900 50.821 1.079 17818 302 1 1 . 1 1 76 76 ALA CB C 76 20.200 20.200 20.244 -0.044 17818 303 1 1 . 1 1 76 76 ALA H H 76 7.550 7.550 7.689 -0.139 17818 304 1 1 . 1 1 77 77 GLY N N 77 110.500 110.500 106.212 4.288 17818 305 1 1 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.309 1.091 17818 306 1 1 . 1 1 77 77 GLY H H 77 8.790 8.790 8.571 0.219 17818 307 1 1 . 1 1 78 78 GLU N N 78 119.400 119.400 120.014 -0.614 17818 308 1 1 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.228 -0.078 17818 309 1 1 . 1 1 78 78 GLU CA C 78 57.200 57.200 57.718 -0.517 17818 310 1 1 . 1 1 78 78 GLU CB C 78 30.900 30.900 29.828 1.072 17818 311 1 1 . 1 1 78 78 GLU H H 78 9.240 9.240 8.047 1.193 17818 312 1 1 . 1 1 79 79 VAL N N 79 108.600 108.600 113.623 -5.023 17818 313 1 1 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.541 -0.321 17818 314 1 1 . 1 1 79 79 VAL CA C 79 57.300 57.300 60.041 -2.741 17818 315 1 1 . 1 1 79 79 VAL CB C 79 35.400 35.400 34.130 1.270 17818 316 1 1 . 1 1 79 79 VAL H H 79 6.760 6.760 7.477 -0.717 17818 317 1 1 . 1 1 80 80 ILE N N 80 111.800 111.800 114.743 -2.943 17818 318 1 1 . 1 1 80 80 ILE HA H 80 3.800 3.800 4.062 -0.262 17818 319 1 1 . 1 1 80 80 ILE CA C 80 61.800 61.800 61.331 0.469 17818 320 1 1 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.632 -0.632 17818 321 1 1 . 1 1 80 80 ILE H H 80 7.300 7.300 8.093 -0.793 17818 322 1 1 . 1 1 81 81 LYS N N 81 124.700 124.700 125.468 -0.768 17818 323 1 1 . 1 1 81 81 LYS HA H 81 4.160 4.160 3.952 0.208 17818 324 1 1 . 1 1 81 81 LYS CA C 81 59.700 59.700 59.023 0.677 17818 325 1 1 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.946 0.854 17818 326 1 1 . 1 1 81 81 LYS H H 81 8.880 8.880 8.900 -0.020 17818 327 1 1 . 1 1 82 82 GLY N N 82 101.700 101.700 106.718 -5.018 17818 328 1 1 . 1 1 82 82 GLY CA C 82 47.300 47.300 47.187 0.113 17818 329 1 1 . 1 1 82 82 GLY H H 82 9.580 9.580 8.494 1.086 17818 330 1 1 . 1 1 83 83 TRP N N 83 119.300 119.300 121.933 -2.633 17818 331 1 1 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.359 -0.349 17818 332 1 1 . 1 1 83 83 TRP CA C 83 59.300 59.300 58.178 1.122 17818 333 1 1 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.709 0.391 17818 334 1 1 . 1 1 83 83 TRP H H 83 7.450 7.450 7.374 0.076 17818 335 1 1 . 1 1 84 84 ASP N N 84 120.900 120.900 120.585 0.315 17818 336 1 1 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.419 -0.419 17818 337 1 1 . 1 1 84 84 ASP CA C 84 58.200 58.200 58.272 -0.072 17818 338 1 1 . 1 1 84 84 ASP CB C 84 41.000 41.000 40.933 0.067 17818 339 1 1 . 1 1 84 84 ASP H H 84 7.120 7.120 8.454 -1.334 17818 340 1 1 . 1 1 85 85 GLN N N 85 114.500 114.500 119.271 -4.771 17818 341 1 1 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.068 -0.068 17818 342 1 1 . 1 1 85 85 GLN CA C 85 58.200 58.200 58.645 -0.445 17818 343 1 1 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.909 -0.009 17818 344 1 1 . 1 1 85 85 GLN H H 85 8.360 8.360 8.414 -0.054 17818 345 1 1 . 1 1 86 86 GLY N N 86 106.300 106.300 107.874 -1.574 17818 346 1 1 . 1 1 86 86 GLY CA C 86 47.700 47.700 46.630 1.070 17818 347 1 1 . 1 1 86 86 GLY H H 86 7.960 7.960 7.950 0.010 17818 348 1 1 . 1 1 87 87 VAL N N 87 125.300 125.300 120.755 4.545 17818 349 1 1 . 1 1 87 87 VAL HA H 87 3.630 3.630 3.923 -0.293 17818 350 1 1 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.543 1.857 17818 351 1 1 . 1 1 87 87 VAL CB C 87 30.300 30.300 31.499 -1.199 17818 352 1 1 . 1 1 87 87 VAL H H 87 9.090 9.090 8.017 1.073 17818 353 1 1 . 1 1 88 88 ALA N N 88 116.500 116.500 120.161 -3.661 17818 354 1 1 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.179 -0.189 17818 355 1 1 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.236 0.064 17818 356 1 1 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.942 -0.342 17818 357 1 1 . 1 1 88 88 ALA H H 88 6.750 6.750 7.794 -1.044 17818 358 1 1 . 1 1 89 89 THR N N 89 105.500 105.500 112.579 -7.079 17818 359 1 1 . 1 1 89 89 THR HA H 89 4.520 4.520 4.332 0.188 17818 360 1 1 . 1 1 89 89 THR CA C 89 62.300 62.300 62.676 -0.376 17818 361 1 1 . 1 1 89 89 THR CB C 89 71.100 71.100 69.270 1.830 17818 362 1 1 . 1 1 89 89 THR H H 89 7.400 7.400 7.951 -0.551 17818 363 1 1 . 1 1 90 90 MET N N 90 122.400 122.400 119.433 2.967 17818 364 1 1 . 1 1 90 90 MET CA C 90 56.200 56.200 55.377 0.823 17818 365 1 1 . 1 1 90 90 MET CB C 90 36.800 36.800 35.136 1.664 17818 366 1 1 . 1 1 90 90 MET H H 90 7.550 7.550 7.311 0.239 17818 367 1 1 . 1 1 91 91 THR N N 91 105.200 105.200 109.204 -4.004 17818 368 1 1 . 1 1 91 91 THR HA H 91 5.120 5.120 4.638 0.482 17818 369 1 1 . 1 1 91 91 THR CA C 91 59.800 59.800 59.672 0.128 17818 370 1 1 . 1 1 91 91 THR CB C 91 71.900 71.900 72.367 -0.467 17818 371 1 1 . 1 1 91 91 THR H H 91 7.350 7.350 8.282 -0.932 17818 372 1 1 . 1 1 92 92 LEU N N 92 121.200 121.200 121.355 -0.155 17818 373 1 1 . 1 1 92 92 LEU HA H 92 3.600 3.600 3.981 -0.381 17818 374 1 1 . 1 1 92 92 LEU CA C 92 58.100 58.100 55.462 2.638 17818 375 1 1 . 1 1 92 92 LEU CB C 92 43.400 43.400 43.018 0.382 17818 376 1 1 . 1 1 92 92 LEU H H 92 8.180 8.180 7.971 0.209 17818 377 1 1 . 1 1 93 93 GLY N N 93 115.800 115.800 111.692 4.108 17818 378 1 1 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.269 -0.569 17818 379 1 1 . 1 1 93 93 GLY H H 93 8.490 8.490 8.985 -0.495 17818 380 1 1 . 1 1 94 94 GLU N N 94 123.700 123.700 121.051 2.649 17818 381 1 1 . 1 1 94 94 GLU HA H 94 4.290 4.290 5.139 -0.849 17818 382 1 1 . 1 1 94 94 GLU CA C 94 56.100 56.100 54.550 1.550 17818 383 1 1 . 1 1 94 94 GLU CB C 94 33.500 33.500 33.210 0.290 17818 384 1 1 . 1 1 94 94 GLU H H 94 8.650 8.650 7.509 1.141 17818 385 1 1 . 1 1 95 95 LYS N N 95 124.200 124.200 122.589 1.611 17818 386 1 1 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.446 0.114 17818 387 1 1 . 1 1 95 95 LYS CA C 95 54.600 54.600 54.865 -0.265 17818 388 1 1 . 1 1 95 95 LYS CB C 95 35.300 35.300 36.631 -1.331 17818 389 1 1 . 1 1 95 95 LYS H H 95 8.950 8.950 8.942 0.008 17818 390 1 1 . 1 1 96 96 ALA N N 96 129.100 129.100 126.123 2.977 17818 391 1 1 . 1 1 96 96 ALA HA H 96 4.990 4.990 4.997 -0.007 17818 392 1 1 . 1 1 96 96 ALA CA C 96 50.500 50.500 50.035 0.466 17818 393 1 1 . 1 1 96 96 ALA CB C 96 23.900 23.900 23.280 0.620 17818 394 1 1 . 1 1 96 96 ALA H H 96 9.530 9.530 9.274 0.256 17818 395 1 1 . 1 1 97 97 LEU N N 97 122.200 122.200 121.934 0.266 17818 396 1 1 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.715 0.465 17818 397 1 1 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.412 -1.412 17818 398 1 1 . 1 1 97 97 LEU CB C 97 45.800 45.800 43.036 2.764 17818 399 1 1 . 1 1 97 97 LEU H H 97 9.100 9.100 8.660 0.440 17818 400 1 1 . 1 1 98 98 PHE N N 98 125.800 125.800 129.683 -3.883 17818 401 1 1 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.337 0.363 17818 402 1 1 . 1 1 98 98 PHE CA C 98 56.500 56.500 55.987 0.513 17818 403 1 1 . 1 1 98 98 PHE CB C 98 42.300 42.300 42.528 -0.228 17818 404 1 1 . 1 1 98 98 PHE H H 98 9.940 9.940 9.237 0.703 17818 405 1 1 . 1 1 99 99 THR N N 99 121.600 121.600 125.134 -3.534 17818 406 1 1 . 1 1 99 99 THR CA C 99 63.500 63.500 62.957 0.543 17818 407 1 1 . 1 1 99 99 THR CB C 99 68.600 68.600 68.976 -0.376 17818 408 1 1 . 1 1 99 99 THR H H 99 9.100 9.100 8.588 0.512 17818 409 1 1 . 1 1 100 100 ILE N N 100 127.400 127.400 128.589 -1.189 17818 410 1 1 . 1 1 100 100 ILE CA C 100 58.700 58.700 56.455 2.245 17818 411 1 1 . 1 1 100 100 ILE CB C 100 39.400 39.400 38.175 1.225 17818 412 1 1 . 1 1 100 100 ILE H H 100 9.880 9.880 8.823 1.057 17818 413 1 1 . 1 1 101 101 PRO CA C 101 62.200 62.200 62.318 -0.118 17818 414 1 1 . 1 1 101 101 PRO CB C 101 32.500 32.500 31.651 0.849 17818 415 1 1 . 1 1 102 102 TYR N N 102 118.100 118.100 121.026 -2.926 17818 416 1 1 . 1 1 102 102 TYR HA H 102 4.470 4.470 3.978 0.492 17818 417 1 1 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.718 0.382 17818 418 1 1 . 1 1 102 102 TYR CB C 102 37.000 37.000 36.928 0.072 17818 419 1 1 . 1 1 102 102 TYR H H 102 8.450 8.450 8.081 0.369 17818 420 1 1 . 1 1 103 103 GLN N N 103 123.800 123.800 116.788 7.012 17818 421 1 1 . 1 1 103 103 GLN HA H 103 4.050 4.050 3.937 0.113 17818 422 1 1 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.694 1.806 17818 423 1 1 . 1 1 103 103 GLN CB C 103 27.300 27.300 27.920 -0.620 17818 424 1 1 . 1 1 103 103 GLN H H 103 9.080 9.080 7.549 1.531 17818 425 1 1 . 1 1 104 104 LEU N N 104 116.800 116.800 117.457 -0.657 17818 426 1 1 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.293 0.227 17818 427 1 1 . 1 1 104 104 LEU CA C 104 53.100 53.100 55.042 -1.942 17818 428 1 1 . 1 1 104 104 LEU CB C 104 43.400 43.400 42.604 0.796 17818 429 1 1 . 1 1 104 104 LEU H H 104 7.790 7.790 7.585 0.205 17818 430 1 1 . 1 1 105 105 ALA N N 105 125.400 125.400 120.397 5.003 17818 431 1 1 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.509 -0.039 17818 432 1 1 . 1 1 105 105 ALA CA C 105 51.000 51.000 50.797 0.203 17818 433 1 1 . 1 1 105 105 ALA CB C 105 18.900 18.900 20.521 -1.621 17818 434 1 1 . 1 1 105 105 ALA H H 105 7.780 7.780 7.285 0.495 17818 435 1 1 . 1 1 106 106 TYR N N 106 122.000 122.000 116.920 5.080 17818 436 1 1 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.451 0.159 17818 437 1 1 . 1 1 106 106 TYR CA C 106 59.300 59.300 58.275 1.025 17818 438 1 1 . 1 1 106 106 TYR CB C 106 37.400 37.400 37.827 -0.426 17818 439 1 1 . 1 1 106 106 TYR H H 106 9.430 9.430 8.618 0.812 17818 440 1 1 . 1 1 107 107 GLY N N 107 105.500 105.500 109.009 -3.509 17818 441 1 1 . 1 1 107 107 GLY CA C 107 46.500 46.500 46.640 -0.140 17818 442 1 1 . 1 1 107 107 GLY H H 107 8.490 8.490 8.115 0.375 17818 443 1 1 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.247 -0.737 17818 444 1 1 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.358 0.142 17818 445 1 1 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.448 0.152 17818 446 1 1 . 1 1 109 109 ARG N N 109 115.900 115.900 118.901 -3.001 17818 447 1 1 . 1 1 109 109 ARG HA H 109 4.180 4.180 3.982 0.198 17818 448 1 1 . 1 1 109 109 ARG CA C 109 57.400 57.400 57.165 0.235 17818 449 1 1 . 1 1 109 109 ARG CB C 109 30.700 30.700 30.435 0.265 17818 450 1 1 . 1 1 109 109 ARG H H 109 8.840 8.840 7.660 1.180 17818 451 1 1 . 1 1 110 110 GLY N N 110 130.700 130.700 107.169 23.531 17818 452 1 1 . 1 1 110 110 GLY CA C 110 44.800 44.800 46.184 -1.384 17818 453 1 1 . 1 1 110 110 GLY H H 110 7.140 7.140 8.311 -1.171 17818 454 1 1 . 1 1 111 111 TYR N N 111 119.700 119.700 117.975 1.725 17818 455 1 1 . 1 1 111 111 TYR CA C 111 54.500 54.500 60.018 -5.518 17818 456 1 1 . 1 1 111 111 TYR CB C 111 38.600 38.600 35.837 2.763 17818 457 1 1 . 1 1 111 111 TYR H H 111 8.570 8.570 7.748 0.822 17818 458 1 1 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.502 -0.702 17818 459 1 1 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.704 2.596 17818 460 1 1 . 1 1 114 114 VAL N N 114 122.900 122.900 116.521 6.379 17818 461 1 1 . 1 1 114 114 VAL HA H 114 3.850 3.850 4.037 -0.187 17818 462 1 1 . 1 1 114 114 VAL CA C 114 65.600 65.600 63.921 1.679 17818 463 1 1 . 1 1 114 114 VAL CB C 114 33.000 33.000 32.628 0.372 17818 464 1 1 . 1 1 114 114 VAL H H 114 7.870 7.870 7.685 0.185 17818 465 1 1 . 1 1 115 115 ILE N N 115 118.100 118.100 121.508 -3.408 17818 466 1 1 . 1 1 115 115 ILE CA C 115 56.300 56.300 56.605 -0.305 17818 467 1 1 . 1 1 115 115 ILE CB C 115 37.700 37.700 37.934 -0.234 17818 468 1 1 . 1 1 115 115 ILE H H 115 7.550 7.550 7.761 -0.211 17818 469 1 1 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.187 -0.567 17818 470 1 1 . 1 1 117 117 PRO CA C 117 63.400 63.400 63.917 -0.517 17818 471 1 1 . 1 1 117 117 PRO CB C 117 32.800 32.800 31.902 0.898 17818 472 1 1 . 1 1 118 118 LYS N N 118 115.100 115.100 115.725 -0.625 17818 473 1 1 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.679 -1.099 17818 474 1 1 . 1 1 118 118 LYS CA C 118 57.900 57.900 57.015 0.885 17818 475 1 1 . 1 1 118 118 LYS CB C 118 29.700 29.700 30.260 -0.560 17818 476 1 1 . 1 1 118 118 LYS H H 118 7.330 7.330 8.334 -1.004 17818 477 1 1 . 1 1 119 119 ALA N N 119 121.900 121.900 122.012 -0.112 17818 478 1 1 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.498 -0.048 17818 479 1 1 . 1 1 119 119 ALA CA C 119 52.700 52.700 50.909 1.791 17818 480 1 1 . 1 1 119 119 ALA CB C 119 20.100 20.100 20.405 -0.305 17818 481 1 1 . 1 1 119 119 ALA H H 119 7.900 7.900 7.957 -0.057 17818 482 1 1 . 1 1 120 120 THR N N 120 121.800 121.800 120.081 1.719 17818 483 1 1 . 1 1 120 120 THR CA C 120 63.100 63.100 63.675 -0.575 17818 484 1 1 . 1 1 120 120 THR CB C 120 69.800 69.800 69.110 0.690 17818 485 1 1 . 1 1 120 120 THR H H 120 8.170 8.170 8.499 -0.329 17818 486 1 1 . 1 1 121 121 LEU N N 121 124.200 124.200 128.974 -4.774 17818 487 1 1 . 1 1 121 121 LEU CA C 121 53.100 53.100 52.582 0.518 17818 488 1 1 . 1 1 121 121 LEU CB C 121 46.300 46.300 45.369 0.931 17818 489 1 1 . 1 1 121 121 LEU H H 121 8.640 8.640 8.880 -0.240 17818 490 1 1 . 1 1 122 122 VAL N N 122 122.200 122.200 125.178 -2.978 17818 491 1 1 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.373 0.917 17818 492 1 1 . 1 1 122 122 VAL CA C 122 60.700 60.700 61.990 -1.290 17818 493 1 1 . 1 1 122 122 VAL CB C 122 33.300 33.300 32.645 0.655 17818 494 1 1 . 1 1 122 122 VAL H H 122 8.860 8.860 8.565 0.295 17818 495 1 1 . 1 1 123 123 PHE N N 123 122.900 122.900 126.507 -3.607 17818 496 1 1 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.480 -0.080 17818 497 1 1 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.052 -0.652 17818 498 1 1 . 1 1 123 123 PHE CB C 123 44.000 44.000 42.437 1.563 17818 499 1 1 . 1 1 123 123 PHE H H 123 9.620 9.620 9.467 0.153 17818 500 1 1 . 1 1 124 124 GLU N N 124 125.500 125.500 125.373 0.127 17818 501 1 1 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.939 0.961 17818 502 1 1 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.560 -0.960 17818 503 1 1 . 1 1 124 124 GLU CB C 124 31.800 31.800 30.172 1.628 17818 504 1 1 . 1 1 124 124 GLU H H 124 9.180 9.180 9.087 0.093 17818 505 1 1 . 1 1 125 125 VAL N N 125 128.100 128.100 121.098 7.002 17818 506 1 1 . 1 1 125 125 VAL CA C 125 61.300 61.300 60.102 1.198 17818 507 1 1 . 1 1 125 125 VAL CB C 125 35.800 35.800 33.137 2.663 17818 508 1 1 . 1 1 125 125 VAL H H 125 9.600 9.600 9.075 0.525 17818 509 1 1 . 1 1 126 126 GLU N N 126 128.500 128.500 126.750 1.750 17818 510 1 1 . 1 1 126 126 GLU HA H 126 5.630 5.630 4.998 0.632 17818 511 1 1 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.571 -1.071 17818 512 1 1 . 1 1 126 126 GLU CB C 126 34.000 34.000 33.582 0.418 17818 513 1 1 . 1 1 126 126 GLU H H 126 9.420 9.420 8.770 0.650 17818 514 1 1 . 1 1 127 127 LEU N N 127 127.900 127.900 129.095 -1.195 17818 515 1 1 . 1 1 127 127 LEU CA C 127 55.100 55.100 53.668 1.432 17818 516 1 1 . 1 1 127 127 LEU CB C 127 41.400 41.400 42.330 -0.930 17818 517 1 1 . 1 1 127 127 LEU H H 127 8.720 8.720 8.951 -0.231 17818 518 1 1 . 1 1 128 128 LEU N N 128 128.700 128.700 128.135 0.565 17818 519 1 1 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.392 0.008 17818 520 1 1 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.728 0.172 17818 521 1 1 . 1 1 128 128 LEU CB C 128 43.700 43.700 41.888 1.812 17818 522 1 1 . 1 1 128 128 LEU H H 128 8.690 8.690 8.837 -0.147 17818 523 1 1 . 1 1 129 129 ALA N N 129 118.600 118.600 116.280 2.320 17818 524 1 1 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.479 -0.019 17818 525 1 1 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.683 1.117 17818 526 1 1 . 1 1 129 129 ALA CB C 129 21.100 21.100 20.413 0.687 17818 527 1 1 . 1 1 129 129 ALA H H 129 7.810 7.810 7.777 0.033 17818 528 1 2 . 1 1 8 8 HIS CA C 8 54.700 54.700 56.362 -1.662 17818 529 1 2 . 1 1 8 8 HIS CB C 8 31.200 31.200 30.445 0.755 17818 530 1 2 . 1 1 9 9 MET N N 9 120.000 120.000 121.877 -1.877 17818 531 1 2 . 1 1 9 9 MET HA H 9 4.280 4.280 4.606 -0.326 17818 532 1 2 . 1 1 9 9 MET CA C 9 55.500 55.500 55.122 0.378 17818 533 1 2 . 1 1 9 9 MET CB C 9 32.500 32.500 33.309 -0.809 17818 534 1 2 . 1 1 9 9 MET H H 9 8.110 8.110 7.904 0.206 17818 535 1 2 . 1 1 10 10 GLY N N 10 109.800 109.800 111.838 -2.038 17818 536 1 2 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.195 1.105 17818 537 1 2 . 1 1 10 10 GLY H H 10 8.440 8.440 8.451 -0.011 17818 538 1 2 . 1 1 11 11 THR N N 11 113.600 113.600 118.553 -4.953 17818 539 1 2 . 1 1 11 11 THR HA H 11 4.330 4.330 4.303 0.027 17818 540 1 2 . 1 1 11 11 THR CA C 11 62.000 62.000 63.042 -1.042 17818 541 1 2 . 1 1 11 11 THR CB C 11 69.900 69.900 68.171 1.728 17818 542 1 2 . 1 1 11 11 THR H H 11 8.070 8.070 8.229 -0.159 17818 543 1 2 . 1 1 12 12 LEU N N 12 124.200 124.200 127.864 -3.664 17818 544 1 2 . 1 1 12 12 LEU HA H 12 4.320 4.320 3.933 0.387 17818 545 1 2 . 1 1 12 12 LEU CA C 12 55.500 55.500 56.045 -0.546 17818 546 1 2 . 1 1 12 12 LEU CB C 12 42.100 42.100 40.507 1.593 17818 547 1 2 . 1 1 12 12 LEU H H 12 8.380 8.380 8.603 -0.223 17818 548 1 2 . 1 1 13 13 GLU N N 13 121.600 121.600 113.938 7.662 17818 549 1 2 . 1 1 13 13 GLU HA H 13 4.200 4.200 3.798 0.402 17818 550 1 2 . 1 1 13 13 GLU CA C 13 56.900 56.900 57.925 -1.025 17818 551 1 2 . 1 1 13 13 GLU CB C 13 30.000 30.000 28.969 1.031 17818 552 1 2 . 1 1 13 13 GLU H H 13 8.430 8.430 8.756 -0.326 17818 553 1 2 . 1 1 14 14 ALA N N 14 124.400 124.400 122.693 1.707 17818 554 1 2 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.438 -0.168 17818 555 1 2 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.346 0.354 17818 556 1 2 . 1 1 14 14 ALA CB C 14 19.100 19.100 20.192 -1.092 17818 557 1 2 . 1 1 14 14 ALA H H 14 8.290 8.290 7.370 0.919 17818 558 1 2 . 1 1 15 15 GLN N N 15 119.100 119.100 119.233 -0.133 17818 559 1 2 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.576 -0.186 17818 560 1 2 . 1 1 15 15 GLN CA C 15 56.000 56.000 54.836 1.164 17818 561 1 2 . 1 1 15 15 GLN CB C 15 29.400 29.400 30.163 -0.763 17818 562 1 2 . 1 1 15 15 GLN H H 15 8.370 8.370 8.337 0.033 17818 563 1 2 . 1 1 16 16 THR N N 16 114.900 114.900 114.109 0.791 17818 564 1 2 . 1 1 16 16 THR CA C 16 62.100 62.100 61.523 0.577 17818 565 1 2 . 1 1 16 16 THR CB C 16 69.800 69.800 69.724 0.076 17818 566 1 2 . 1 1 16 16 THR H H 16 8.200 8.200 8.307 -0.107 17818 567 1 2 . 1 1 17 17 GLN N N 17 122.200 122.200 120.797 1.403 17818 568 1 2 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.413 0.017 17818 569 1 2 . 1 1 17 17 GLN CA C 17 55.600 55.600 55.334 0.266 17818 570 1 2 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.501 0.199 17818 571 1 2 . 1 1 17 17 GLN H H 17 8.420 8.420 8.431 -0.011 17818 572 1 2 . 1 1 18 18 GLY N N 18 110.100 110.100 108.901 1.199 17818 573 1 2 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.163 0.437 17818 574 1 2 . 1 1 18 18 GLY H H 18 8.360 8.360 8.476 -0.116 17818 575 1 2 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.368 0.072 17818 576 1 2 . 1 1 19 19 PRO CA C 19 63.600 63.600 62.778 0.822 17818 577 1 2 . 1 1 19 19 PRO CB C 19 32.000 32.000 32.550 -0.550 17818 578 1 2 . 1 1 20 20 GLY N N 20 109.400 109.400 110.548 -1.148 17818 579 1 2 . 1 1 20 20 GLY CA C 20 45.300 45.300 44.722 0.578 17818 580 1 2 . 1 1 20 20 GLY H H 20 8.630 8.630 8.634 -0.004 17818 581 1 2 . 1 1 21 21 SER N N 21 115.400 115.400 114.700 0.700 17818 582 1 2 . 1 1 21 21 SER CA C 21 63.800 63.800 57.720 6.080 17818 583 1 2 . 1 1 21 21 SER CB C 21 69.800 69.800 63.948 5.852 17818 584 1 2 . 1 1 21 21 SER H H 21 4.180 4.180 7.874 -3.694 17818 585 1 2 . 1 1 22 22 MET N N 22 121.900 121.900 121.609 0.291 17818 586 1 2 . 1 1 22 22 MET CA C 22 55.500 55.500 55.857 -0.357 17818 587 1 2 . 1 1 22 22 MET CB C 22 32.800 32.800 31.397 1.403 17818 588 1 2 . 1 1 22 22 MET H H 22 8.440 8.440 8.527 -0.087 17818 589 1 2 . 1 1 23 23 SER N N 23 116.600 116.600 119.554 -2.954 17818 590 1 2 . 1 1 23 23 SER HA H 23 4.400 4.400 4.663 -0.263 17818 591 1 2 . 1 1 23 23 SER CA C 23 58.300 58.300 57.875 0.425 17818 592 1 2 . 1 1 23 23 SER CB C 23 63.700 63.700 65.004 -1.304 17818 593 1 2 . 1 1 23 23 SER H H 23 8.290 8.290 7.916 0.374 17818 594 1 2 . 1 1 24 24 ALA N N 24 125.700 125.700 124.372 1.328 17818 595 1 2 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.312 -0.022 17818 596 1 2 . 1 1 24 24 ALA CA C 24 52.100 52.100 52.082 0.018 17818 597 1 2 . 1 1 24 24 ALA CB C 24 19.300 19.300 18.876 0.424 17818 598 1 2 . 1 1 24 24 ALA H H 24 8.200 8.200 8.332 -0.132 17818 599 1 2 . 1 1 25 25 GLN N N 25 118.300 118.300 122.445 -4.145 17818 600 1 2 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.409 0.101 17818 601 1 2 . 1 1 25 25 GLN CA C 25 54.200 54.200 54.756 -0.556 17818 602 1 2 . 1 1 25 25 GLN CB C 25 31.300 31.300 29.840 1.460 17818 603 1 2 . 1 1 25 25 GLN H H 25 8.280 8.280 8.386 -0.106 17818 604 1 2 . 1 1 26 26 LEU N N 26 122.100 122.100 125.780 -3.680 17818 605 1 2 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.451 0.009 17818 606 1 2 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.958 0.342 17818 607 1 2 . 1 1 26 26 LEU CB C 26 43.500 43.500 43.856 -0.356 17818 608 1 2 . 1 1 26 26 LEU H H 26 8.480 8.480 8.425 0.055 17818 609 1 2 . 1 1 27 27 GLU N N 27 125.300 125.300 127.023 -1.723 17818 610 1 2 . 1 1 27 27 GLU CA C 27 55.300 55.300 55.672 -0.372 17818 611 1 2 . 1 1 27 27 GLU CB C 27 32.400 32.400 33.315 -0.915 17818 612 1 2 . 1 1 27 27 GLU H H 27 8.240 8.240 8.375 -0.135 17818 613 1 2 . 1 1 28 28 LYS N N 28 125.000 125.000 124.188 0.812 17818 614 1 2 . 1 1 28 28 LYS HA H 28 4.610 4.610 5.351 -0.741 17818 615 1 2 . 1 1 28 28 LYS CA C 28 54.500 54.500 54.601 -0.101 17818 616 1 2 . 1 1 28 28 LYS CB C 28 35.700 35.700 33.327 2.373 17818 617 1 2 . 1 1 28 28 LYS H H 28 8.810 8.810 8.525 0.285 17818 618 1 2 . 1 1 29 29 LYS N N 29 128.100 128.100 125.791 2.309 17818 619 1 2 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.579 0.451 17818 620 1 2 . 1 1 29 29 LYS CA C 29 55.000 55.000 53.807 1.193 17818 621 1 2 . 1 1 29 29 LYS CB C 29 36.200 36.200 32.847 3.353 17818 622 1 2 . 1 1 29 29 LYS H H 29 8.850 8.850 8.905 -0.055 17818 623 1 2 . 1 1 30 30 VAL N N 30 127.200 127.200 127.157 0.043 17818 624 1 2 . 1 1 30 30 VAL HA H 30 3.660 3.660 3.910 -0.250 17818 625 1 2 . 1 1 30 30 VAL CA C 30 64.800 64.800 63.222 1.578 17818 626 1 2 . 1 1 30 30 VAL CB C 30 31.600 31.600 31.974 -0.374 17818 627 1 2 . 1 1 30 30 VAL H H 30 9.170 9.170 8.927 0.243 17818 628 1 2 . 1 1 31 31 LEU N N 31 129.800 129.800 129.494 0.306 17818 629 1 2 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.476 -0.036 17818 630 1 2 . 1 1 31 31 LEU CA C 31 56.000 56.000 55.601 0.399 17818 631 1 2 . 1 1 31 31 LEU CB C 31 41.800 41.800 42.805 -1.005 17818 632 1 2 . 1 1 31 31 LEU H H 31 9.020 9.020 8.634 0.386 17818 633 1 2 . 1 1 32 32 THR N N 32 115.700 115.700 113.207 2.493 17818 634 1 2 . 1 1 32 32 THR CA C 32 59.300 59.300 60.573 -1.273 17818 635 1 2 . 1 1 32 32 THR CB C 32 72.500 72.500 71.369 1.131 17818 636 1 2 . 1 1 32 32 THR H H 32 8.220 8.220 8.049 0.171 17818 637 1 2 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.629 -0.339 17818 638 1 2 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.121 0.879 17818 639 1 2 . 1 1 33 33 PRO CB C 33 32.400 32.400 32.399 0.001 17818 640 1 2 . 1 1 34 34 GLY N N 34 109.400 109.400 109.869 -0.469 17818 641 1 2 . 1 1 34 34 GLY CA C 34 44.200 44.200 43.405 0.795 17818 642 1 2 . 1 1 34 34 GLY H H 34 9.010 9.010 8.284 0.726 17818 643 1 2 . 1 1 35 35 ASP N N 35 119.400 119.400 120.838 -1.438 17818 644 1 2 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.395 -0.065 17818 645 1 2 . 1 1 35 35 ASP CA C 35 54.700 54.700 56.895 -2.195 17818 646 1 2 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.222 -1.822 17818 647 1 2 . 1 1 35 35 ASP H H 35 8.370 8.370 8.410 -0.040 17818 648 1 2 . 1 1 36 36 GLY N N 36 107.900 107.900 106.650 1.250 17818 649 1 2 . 1 1 36 36 GLY CA C 36 46.000 46.000 46.641 -0.641 17818 650 1 2 . 1 1 36 36 GLY H H 36 8.750 8.750 8.206 0.544 17818 651 1 2 . 1 1 37 37 VAL N N 37 116.200 116.200 115.450 0.750 17818 652 1 2 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.133 0.367 17818 653 1 2 . 1 1 37 37 VAL CA C 37 62.500 62.500 63.591 -1.091 17818 654 1 2 . 1 1 37 37 VAL CB C 37 35.900 35.900 32.254 3.646 17818 655 1 2 . 1 1 37 37 VAL H H 37 8.590 8.590 7.531 1.059 17818 656 1 2 . 1 1 38 38 THR N N 38 126.400 126.400 113.061 13.339 17818 657 1 2 . 1 1 38 38 THR HA H 38 4.210 4.210 4.316 -0.106 17818 658 1 2 . 1 1 38 38 THR CA C 38 63.300 63.300 61.597 1.703 17818 659 1 2 . 1 1 38 38 THR CB C 38 65.800 65.800 68.928 -3.128 17818 660 1 2 . 1 1 38 38 THR H H 38 10.650 10.650 7.806 2.844 17818 661 1 2 . 1 1 39 39 LYS N N 39 127.000 127.000 126.583 0.417 17818 662 1 2 . 1 1 39 39 LYS CA C 39 53.400 53.400 53.522 -0.122 17818 663 1 2 . 1 1 39 39 LYS CB C 39 33.200 33.200 34.489 -1.288 17818 664 1 2 . 1 1 39 39 LYS H H 39 8.390 8.390 8.478 -0.088 17818 665 1 2 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.601 -0.401 17818 666 1 2 . 1 1 40 40 PRO CB C 40 33.300 33.300 32.945 0.355 17818 667 1 2 . 1 1 41 41 GLN N N 41 120.900 120.900 115.241 5.659 17818 668 1 2 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.469 -0.009 17818 669 1 2 . 1 1 41 41 GLN CA C 41 53.700 53.700 54.561 -0.861 17818 670 1 2 . 1 1 41 41 GLN CB C 41 31.500 31.500 30.428 1.072 17818 671 1 2 . 1 1 41 41 GLN H H 41 8.750 8.750 8.013 0.737 17818 672 1 2 . 1 1 42 42 ALA N N 42 125.700 125.700 121.806 3.894 17818 673 1 2 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.182 -0.402 17818 674 1 2 . 1 1 42 42 ALA CA C 42 53.400 53.400 52.347 1.052 17818 675 1 2 . 1 1 42 42 ALA CB C 42 17.800 17.800 18.829 -1.029 17818 676 1 2 . 1 1 42 42 ALA H H 42 8.550 8.550 8.364 0.186 17818 677 1 2 . 1 1 43 43 GLY N N 43 109.700 109.700 110.527 -0.827 17818 678 1 2 . 1 1 43 43 GLY CA C 43 45.200 45.200 45.127 0.073 17818 679 1 2 . 1 1 43 43 GLY H H 43 8.970 8.970 8.784 0.186 17818 680 1 2 . 1 1 44 44 LYS N N 44 120.300 120.300 120.704 -0.404 17818 681 1 2 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.540 0.130 17818 682 1 2 . 1 1 44 44 LYS CA C 44 53.800 53.800 54.185 -0.386 17818 683 1 2 . 1 1 44 44 LYS CB C 44 34.100 34.100 35.407 -1.307 17818 684 1 2 . 1 1 44 44 LYS H H 44 7.920 7.920 7.454 0.466 17818 685 1 2 . 1 1 45 45 LYS N N 45 120.800 120.800 125.337 -4.537 17818 686 1 2 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.315 0.205 17818 687 1 2 . 1 1 45 45 LYS CA C 45 56.300 56.300 55.885 0.416 17818 688 1 2 . 1 1 45 45 LYS CB C 45 32.900 32.900 31.530 1.370 17818 689 1 2 . 1 1 45 45 LYS H H 45 8.340 8.340 8.498 -0.158 17818 690 1 2 . 1 1 46 46 VAL N N 46 117.600 117.600 124.116 -6.516 17818 691 1 2 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.517 0.043 17818 692 1 2 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.387 -0.487 17818 693 1 2 . 1 1 46 46 VAL CB C 46 33.900 33.900 34.157 -0.257 17818 694 1 2 . 1 1 46 46 VAL H H 46 8.560 8.560 8.615 -0.055 17818 695 1 2 . 1 1 47 47 THR N N 47 115.600 115.600 122.366 -6.766 17818 696 1 2 . 1 1 47 47 THR HA H 47 5.100 5.100 4.443 0.657 17818 697 1 2 . 1 1 47 47 THR CA C 47 61.600 61.600 62.847 -1.247 17818 698 1 2 . 1 1 47 47 THR CB C 47 69.800 69.800 68.367 1.433 17818 699 1 2 . 1 1 47 47 THR H H 47 8.130 8.130 8.468 -0.338 17818 700 1 2 . 1 1 48 48 VAL N N 48 118.100 118.100 122.214 -4.114 17818 701 1 2 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.222 0.568 17818 702 1 2 . 1 1 48 48 VAL CA C 48 58.000 58.000 58.627 -0.627 17818 703 1 2 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.740 -0.240 17818 704 1 2 . 1 1 48 48 VAL H H 48 9.740 9.740 9.104 0.635 17818 705 1 2 . 1 1 49 49 HIS N N 49 119.000 119.000 118.620 0.380 17818 706 1 2 . 1 1 49 49 HIS HA H 49 5.810 5.810 4.892 0.918 17818 707 1 2 . 1 1 49 49 HIS CA C 49 54.600 54.600 54.421 0.179 17818 708 1 2 . 1 1 49 49 HIS CB C 49 35.600 35.600 33.790 1.810 17818 709 1 2 . 1 1 49 49 HIS H H 49 8.630 8.630 8.627 0.003 17818 710 1 2 . 1 1 50 50 TYR N N 50 116.800 116.800 121.885 -5.085 17818 711 1 2 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.416 0.814 17818 712 1 2 . 1 1 50 50 TYR CA C 50 56.000 56.000 55.803 0.197 17818 713 1 2 . 1 1 50 50 TYR CB C 50 43.500 43.500 41.548 1.952 17818 714 1 2 . 1 1 50 50 TYR H H 50 9.870 9.870 8.220 1.650 17818 715 1 2 . 1 1 51 51 ASP N N 51 120.400 120.400 121.580 -1.180 17818 716 1 2 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.904 0.046 17818 717 1 2 . 1 1 51 51 ASP CA C 51 54.400 54.400 53.278 1.122 17818 718 1 2 . 1 1 51 51 ASP CB C 51 44.900 44.900 44.455 0.445 17818 719 1 2 . 1 1 51 51 ASP H H 51 8.840 8.840 8.754 0.086 17818 720 1 2 . 1 1 52 52 GLY N N 52 112.500 112.500 111.711 0.789 17818 721 1 2 . 1 1 52 52 GLY CA C 52 45.300 45.300 44.934 0.366 17818 722 1 2 . 1 1 52 52 GLY H H 52 9.130 9.130 8.685 0.445 17818 723 1 2 . 1 1 53 53 ARG N N 53 125.200 125.200 124.371 0.829 17818 724 1 2 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.885 0.145 17818 725 1 2 . 1 1 53 53 ARG CA C 53 53.900 53.900 55.071 -1.171 17818 726 1 2 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.764 0.036 17818 727 1 2 . 1 1 53 53 ARG H H 53 9.370 9.370 8.583 0.787 17818 728 1 2 . 1 1 54 54 PHE N N 54 119.400 119.400 123.958 -4.558 17818 729 1 2 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.835 -0.595 17818 730 1 2 . 1 1 54 54 PHE CA C 54 57.300 57.300 56.937 0.363 17818 731 1 2 . 1 1 54 54 PHE CB C 54 37.700 37.700 39.001 -1.300 17818 732 1 2 . 1 1 54 54 PHE H H 54 8.770 8.770 9.172 -0.402 17818 733 1 2 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.290 -0.010 17818 734 1 2 . 1 1 55 55 PRO CA C 55 65.700 65.700 64.895 0.805 17818 735 1 2 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.587 0.213 17818 736 1 2 . 1 1 56 56 ASP N N 56 113.600 113.600 114.355 -0.755 17818 737 1 2 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.574 -0.104 17818 738 1 2 . 1 1 56 56 ASP CA C 56 53.900 53.900 53.560 0.340 17818 739 1 2 . 1 1 56 56 ASP CB C 56 39.800 39.800 40.591 -0.791 17818 740 1 2 . 1 1 56 56 ASP H H 56 7.780 7.780 8.073 -0.293 17818 741 1 2 . 1 1 57 57 GLY N N 57 108.700 108.700 108.088 0.612 17818 742 1 2 . 1 1 57 57 GLY CA C 57 44.900 44.900 44.736 0.164 17818 743 1 2 . 1 1 57 57 GLY H H 57 8.440 8.440 8.199 0.241 17818 744 1 2 . 1 1 58 58 LYS N N 58 122.800 122.800 121.979 0.821 17818 745 1 2 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.191 0.059 17818 746 1 2 . 1 1 58 58 LYS CA C 58 57.500 57.500 56.729 0.771 17818 747 1 2 . 1 1 58 58 LYS CB C 58 32.600 32.600 33.116 -0.516 17818 748 1 2 . 1 1 58 58 LYS H H 58 8.230 8.230 7.413 0.817 17818 749 1 2 . 1 1 59 59 GLN N N 59 125.800 125.800 123.730 2.070 17818 750 1 2 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.425 0.025 17818 751 1 2 . 1 1 59 59 GLN CA C 59 56.300 56.300 55.950 0.350 17818 752 1 2 . 1 1 59 59 GLN CB C 59 30.900 30.900 30.017 0.883 17818 753 1 2 . 1 1 59 59 GLN H H 59 8.810 8.810 8.216 0.594 17818 754 1 2 . 1 1 60 60 PHE N N 60 121.200 121.200 127.035 -5.835 17818 755 1 2 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.887 0.213 17818 756 1 2 . 1 1 60 60 PHE CA C 60 56.500 56.500 59.604 -3.104 17818 757 1 2 . 1 1 60 60 PHE CB C 60 40.900 40.900 40.227 0.673 17818 758 1 2 . 1 1 60 60 PHE H H 60 8.340 8.340 8.947 -0.607 17818 759 1 2 . 1 1 61 61 ASP N N 61 119.100 119.100 118.782 0.318 17818 760 1 2 . 1 1 61 61 ASP CA C 61 54.700 54.700 52.970 1.730 17818 761 1 2 . 1 1 61 61 ASP CB C 61 44.200 44.200 43.036 1.164 17818 762 1 2 . 1 1 61 61 ASP H H 61 7.030 7.030 7.727 -0.697 17818 763 1 2 . 1 1 62 62 SER N N 62 117.400 117.400 121.870 -4.470 17818 764 1 2 . 1 1 62 62 SER CA C 62 57.000 57.000 58.701 -1.701 17818 765 1 2 . 1 1 62 62 SER CB C 62 64.800 64.800 61.762 3.038 17818 766 1 2 . 1 1 62 62 SER H H 62 8.100 8.100 8.734 -0.634 17818 767 1 2 . 1 1 63 63 SER N N 63 123.600 123.600 122.249 1.351 17818 768 1 2 . 1 1 63 63 SER HA H 63 4.200 4.200 4.498 -0.298 17818 769 1 2 . 1 1 63 63 SER CA C 63 61.300 61.300 60.474 0.826 17818 770 1 2 . 1 1 63 63 SER CB C 63 61.300 61.300 63.864 -2.564 17818 771 1 2 . 1 1 63 63 SER H H 63 8.070 8.070 8.536 -0.466 17818 772 1 2 . 1 1 64 64 ARG N N 64 124.000 124.000 121.852 2.148 17818 773 1 2 . 1 1 64 64 ARG HA H 64 3.620 3.620 3.932 -0.312 17818 774 1 2 . 1 1 64 64 ARG CA C 64 59.300 59.300 59.045 0.255 17818 775 1 2 . 1 1 64 64 ARG CB C 64 28.800 28.800 29.239 -0.439 17818 776 1 2 . 1 1 64 64 ARG H H 64 8.810 8.810 8.365 0.445 17818 777 1 2 . 1 1 65 65 SER N N 65 114.600 114.600 116.338 -1.738 17818 778 1 2 . 1 1 65 65 SER HA H 65 4.190 4.190 4.379 -0.189 17818 779 1 2 . 1 1 65 65 SER CA C 65 60.700 60.700 60.496 0.204 17818 780 1 2 . 1 1 65 65 SER CB C 65 62.700 62.700 62.624 0.076 17818 781 1 2 . 1 1 65 65 SER H H 65 7.800 7.800 8.553 -0.753 17818 782 1 2 . 1 1 66 66 ARG N N 66 118.000 118.000 119.744 -1.744 17818 783 1 2 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.428 -0.008 17818 784 1 2 . 1 1 66 66 ARG CA C 66 57.100 57.100 55.657 1.443 17818 785 1 2 . 1 1 66 66 ARG CB C 66 31.500 31.500 30.301 1.199 17818 786 1 2 . 1 1 66 66 ARG H H 66 7.110 7.110 7.562 -0.452 17818 787 1 2 . 1 1 67 67 GLY N N 67 106.700 106.700 109.158 -2.458 17818 788 1 2 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.745 0.055 17818 789 1 2 . 1 1 67 67 GLY H H 67 7.800 7.800 7.791 0.009 17818 790 1 2 . 1 1 68 68 LYS N N 68 117.600 117.600 120.878 -3.278 17818 791 1 2 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.737 0.273 17818 792 1 2 . 1 1 68 68 LYS CA C 68 53.100 53.100 53.305 -0.205 17818 793 1 2 . 1 1 68 68 LYS CB C 68 34.900 34.900 34.679 0.221 17818 794 1 2 . 1 1 68 68 LYS H H 68 7.440 7.440 7.770 -0.330 17818 795 1 2 . 1 1 69 69 PRO HA H 69 4.060 4.060 4.716 -0.656 17818 796 1 2 . 1 1 69 69 PRO CA C 69 62.700 62.700 62.462 0.238 17818 797 1 2 . 1 1 69 69 PRO CB C 69 32.300 32.300 32.629 -0.329 17818 798 1 2 . 1 1 70 70 PHE N N 70 123.200 123.200 119.786 3.414 17818 799 1 2 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.918 0.122 17818 800 1 2 . 1 1 70 70 PHE CA C 70 57.100 57.100 57.239 -0.139 17818 801 1 2 . 1 1 70 70 PHE CB C 70 42.900 42.900 42.903 -0.002 17818 802 1 2 . 1 1 70 70 PHE H H 70 9.180 9.180 9.142 0.038 17818 803 1 2 . 1 1 71 71 GLN N N 71 126.000 126.000 126.173 -0.173 17818 804 1 2 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.360 0.390 17818 805 1 2 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.535 -1.236 17818 806 1 2 . 1 1 71 71 GLN CB C 71 32.900 32.900 31.379 1.521 17818 807 1 2 . 1 1 71 71 GLN H H 71 8.020 8.020 8.123 -0.103 17818 808 1 2 . 1 1 72 72 PHE N N 72 116.800 116.800 119.231 -2.431 17818 809 1 2 . 1 1 72 72 PHE HA H 72 4.700 4.700 4.895 -0.195 17818 810 1 2 . 1 1 72 72 PHE CA C 72 55.500 55.500 56.307 -0.807 17818 811 1 2 . 1 1 72 72 PHE CB C 72 40.900 40.900 41.536 -0.636 17818 812 1 2 . 1 1 72 72 PHE H H 72 8.110 8.110 8.925 -0.815 17818 813 1 2 . 1 1 73 73 THR N N 73 118.800 118.800 119.210 -0.410 17818 814 1 2 . 1 1 73 73 THR HA H 73 3.960 3.960 4.388 -0.428 17818 815 1 2 . 1 1 73 73 THR CA C 73 62.600 62.600 62.760 -0.160 17818 816 1 2 . 1 1 73 73 THR CB C 73 67.500 67.500 68.958 -1.458 17818 817 1 2 . 1 1 73 73 THR H H 73 9.080 9.080 8.598 0.481 17818 818 1 2 . 1 1 74 74 LEU N N 74 132.500 132.500 128.400 4.100 17818 819 1 2 . 1 1 74 74 LEU HA H 74 4.140 4.140 4.095 0.045 17818 820 1 2 . 1 1 74 74 LEU CA C 74 56.800 56.800 55.468 1.332 17818 821 1 2 . 1 1 74 74 LEU CB C 74 41.800 41.800 42.749 -0.949 17818 822 1 2 . 1 1 74 74 LEU H H 74 8.220 8.220 8.113 0.107 17818 823 1 2 . 1 1 75 75 GLY N N 75 118.100 118.100 112.068 6.032 17818 824 1 2 . 1 1 75 75 GLY CA C 75 46.200 46.200 45.207 0.993 17818 825 1 2 . 1 1 75 75 GLY H H 75 9.850 9.850 8.815 1.035 17818 826 1 2 . 1 1 76 76 ALA N N 76 120.600 120.600 121.432 -0.832 17818 827 1 2 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.739 -0.239 17818 828 1 2 . 1 1 76 76 ALA CA C 76 51.900 51.900 51.139 0.761 17818 829 1 2 . 1 1 76 76 ALA CB C 76 20.200 20.200 20.524 -0.324 17818 830 1 2 . 1 1 76 76 ALA H H 76 7.550 7.550 7.825 -0.275 17818 831 1 2 . 1 1 77 77 GLY N N 77 110.500 110.500 106.226 4.274 17818 832 1 2 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.673 0.727 17818 833 1 2 . 1 1 77 77 GLY H H 77 8.790 8.790 8.614 0.176 17818 834 1 2 . 1 1 78 78 GLU N N 78 119.400 119.400 120.327 -0.927 17818 835 1 2 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.311 -0.161 17818 836 1 2 . 1 1 78 78 GLU CA C 78 57.200 57.200 57.412 -0.212 17818 837 1 2 . 1 1 78 78 GLU CB C 78 30.900 30.900 30.046 0.854 17818 838 1 2 . 1 1 78 78 GLU H H 78 9.240 9.240 7.979 1.261 17818 839 1 2 . 1 1 79 79 VAL N N 79 108.600 108.600 114.134 -5.534 17818 840 1 2 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.601 -0.381 17818 841 1 2 . 1 1 79 79 VAL CA C 79 57.300 57.300 60.156 -2.856 17818 842 1 2 . 1 1 79 79 VAL CB C 79 35.400 35.400 34.577 0.823 17818 843 1 2 . 1 1 79 79 VAL H H 79 6.760 6.760 7.488 -0.728 17818 844 1 2 . 1 1 80 80 ILE N N 80 111.800 111.800 114.589 -2.789 17818 845 1 2 . 1 1 80 80 ILE HA H 80 3.800 3.800 4.051 -0.251 17818 846 1 2 . 1 1 80 80 ILE CA C 80 61.800 61.800 60.353 1.447 17818 847 1 2 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.916 -0.916 17818 848 1 2 . 1 1 80 80 ILE H H 80 7.300 7.300 7.846 -0.546 17818 849 1 2 . 1 1 81 81 LYS N N 81 124.700 124.700 123.108 1.592 17818 850 1 2 . 1 1 81 81 LYS HA H 81 4.160 4.160 3.941 0.219 17818 851 1 2 . 1 1 81 81 LYS CA C 81 59.700 59.700 59.043 0.657 17818 852 1 2 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.330 1.470 17818 853 1 2 . 1 1 81 81 LYS H H 81 8.880 8.880 8.717 0.163 17818 854 1 2 . 1 1 82 82 GLY N N 82 101.700 101.700 107.703 -6.003 17818 855 1 2 . 1 1 82 82 GLY CA C 82 47.300 47.300 47.071 0.229 17818 856 1 2 . 1 1 82 82 GLY H H 82 9.580 9.580 7.545 2.035 17818 857 1 2 . 1 1 83 83 TRP N N 83 119.300 119.300 121.440 -2.140 17818 858 1 2 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.361 -0.351 17818 859 1 2 . 1 1 83 83 TRP CA C 83 59.300 59.300 57.169 2.131 17818 860 1 2 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.330 0.770 17818 861 1 2 . 1 1 83 83 TRP H H 83 7.450 7.450 7.316 0.134 17818 862 1 2 . 1 1 84 84 ASP N N 84 120.900 120.900 120.346 0.554 17818 863 1 2 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.386 -0.386 17818 864 1 2 . 1 1 84 84 ASP CA C 84 58.200 58.200 57.956 0.244 17818 865 1 2 . 1 1 84 84 ASP CB C 84 41.000 41.000 40.952 0.048 17818 866 1 2 . 1 1 84 84 ASP H H 84 7.120 7.120 8.700 -1.580 17818 867 1 2 . 1 1 85 85 GLN N N 85 114.500 114.500 118.736 -4.236 17818 868 1 2 . 1 1 85 85 GLN HA H 85 4.000 4.000 3.973 0.027 17818 869 1 2 . 1 1 85 85 GLN CA C 85 58.200 58.200 58.444 -0.244 17818 870 1 2 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.791 0.109 17818 871 1 2 . 1 1 85 85 GLN H H 85 8.360 8.360 8.061 0.299 17818 872 1 2 . 1 1 86 86 GLY N N 86 106.300 106.300 107.924 -1.624 17818 873 1 2 . 1 1 86 86 GLY CA C 86 47.700 47.700 46.685 1.015 17818 874 1 2 . 1 1 86 86 GLY H H 86 7.960 7.960 7.909 0.051 17818 875 1 2 . 1 1 87 87 VAL N N 87 125.300 125.300 120.287 5.013 17818 876 1 2 . 1 1 87 87 VAL HA H 87 3.630 3.630 3.971 -0.341 17818 877 1 2 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.461 1.939 17818 878 1 2 . 1 1 87 87 VAL CB C 87 30.300 30.300 32.328 -2.028 17818 879 1 2 . 1 1 87 87 VAL H H 87 9.090 9.090 8.110 0.980 17818 880 1 2 . 1 1 88 88 ALA N N 88 116.500 116.500 122.435 -5.935 17818 881 1 2 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.175 -0.185 17818 882 1 2 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.751 -0.451 17818 883 1 2 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.552 0.049 17818 884 1 2 . 1 1 88 88 ALA H H 88 6.750 6.750 7.925 -1.175 17818 885 1 2 . 1 1 89 89 THR N N 89 105.500 105.500 112.394 -6.894 17818 886 1 2 . 1 1 89 89 THR HA H 89 4.520 4.520 4.365 0.155 17818 887 1 2 . 1 1 89 89 THR CA C 89 62.300 62.300 62.633 -0.333 17818 888 1 2 . 1 1 89 89 THR CB C 89 71.100 71.100 69.245 1.855 17818 889 1 2 . 1 1 89 89 THR H H 89 7.400 7.400 8.012 -0.612 17818 890 1 2 . 1 1 90 90 MET N N 90 122.400 122.400 117.681 4.719 17818 891 1 2 . 1 1 90 90 MET CA C 90 56.200 56.200 54.323 1.877 17818 892 1 2 . 1 1 90 90 MET CB C 90 36.800 36.800 35.728 1.072 17818 893 1 2 . 1 1 90 90 MET H H 90 7.550 7.550 7.263 0.287 17818 894 1 2 . 1 1 91 91 THR N N 91 105.200 105.200 110.767 -5.567 17818 895 1 2 . 1 1 91 91 THR HA H 91 5.120 5.120 4.625 0.495 17818 896 1 2 . 1 1 91 91 THR CA C 91 59.800 59.800 59.925 -0.125 17818 897 1 2 . 1 1 91 91 THR CB C 91 71.900 71.900 72.226 -0.326 17818 898 1 2 . 1 1 91 91 THR H H 91 7.350 7.350 8.829 -1.479 17818 899 1 2 . 1 1 92 92 LEU N N 92 121.200 121.200 120.704 0.496 17818 900 1 2 . 1 1 92 92 LEU HA H 92 3.600 3.600 4.044 -0.444 17818 901 1 2 . 1 1 92 92 LEU CA C 92 58.100 58.100 55.375 2.725 17818 902 1 2 . 1 1 92 92 LEU CB C 92 43.400 43.400 43.147 0.253 17818 903 1 2 . 1 1 92 92 LEU H H 92 8.180 8.180 8.156 0.024 17818 904 1 2 . 1 1 93 93 GLY N N 93 115.800 115.800 112.080 3.720 17818 905 1 2 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.191 -0.491 17818 906 1 2 . 1 1 93 93 GLY H H 93 8.490 8.490 8.756 -0.266 17818 907 1 2 . 1 1 94 94 GLU N N 94 123.700 123.700 119.713 3.987 17818 908 1 2 . 1 1 94 94 GLU HA H 94 4.290 4.290 4.909 -0.619 17818 909 1 2 . 1 1 94 94 GLU CA C 94 56.100 56.100 54.653 1.447 17818 910 1 2 . 1 1 94 94 GLU CB C 94 33.500 33.500 34.116 -0.616 17818 911 1 2 . 1 1 94 94 GLU H H 94 8.650 8.650 7.866 0.784 17818 912 1 2 . 1 1 95 95 LYS N N 95 124.200 124.200 124.400 -0.200 17818 913 1 2 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.271 0.289 17818 914 1 2 . 1 1 95 95 LYS CA C 95 54.600 54.600 55.078 -0.478 17818 915 1 2 . 1 1 95 95 LYS CB C 95 35.300 35.300 36.062 -0.762 17818 916 1 2 . 1 1 95 95 LYS H H 95 8.950 8.950 8.931 0.019 17818 917 1 2 . 1 1 96 96 ALA N N 96 129.100 129.100 129.450 -0.350 17818 918 1 2 . 1 1 96 96 ALA HA H 96 4.990 4.990 5.074 -0.084 17818 919 1 2 . 1 1 96 96 ALA CA C 96 50.500 50.500 50.135 0.365 17818 920 1 2 . 1 1 96 96 ALA CB C 96 23.900 23.900 23.090 0.810 17818 921 1 2 . 1 1 96 96 ALA H H 96 9.530 9.530 9.326 0.204 17818 922 1 2 . 1 1 97 97 LEU N N 97 122.200 122.200 123.649 -1.449 17818 923 1 2 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.726 0.454 17818 924 1 2 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.184 -1.184 17818 925 1 2 . 1 1 97 97 LEU CB C 97 45.800 45.800 43.428 2.372 17818 926 1 2 . 1 1 97 97 LEU H H 97 9.100 9.100 8.810 0.290 17818 927 1 2 . 1 1 98 98 PHE N N 98 125.800 125.800 129.907 -4.107 17818 928 1 2 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.795 -0.095 17818 929 1 2 . 1 1 98 98 PHE CA C 98 56.500 56.500 55.023 1.477 17818 930 1 2 . 1 1 98 98 PHE CB C 98 42.300 42.300 42.718 -0.418 17818 931 1 2 . 1 1 98 98 PHE H H 98 9.940 9.940 9.386 0.554 17818 932 1 2 . 1 1 99 99 THR N N 99 121.600 121.600 124.741 -3.141 17818 933 1 2 . 1 1 99 99 THR CA C 99 63.500 63.500 62.918 0.582 17818 934 1 2 . 1 1 99 99 THR CB C 99 68.600 68.600 68.617 -0.017 17818 935 1 2 . 1 1 99 99 THR H H 99 9.100 9.100 8.383 0.717 17818 936 1 2 . 1 1 100 100 ILE N N 100 127.400 127.400 129.031 -1.631 17818 937 1 2 . 1 1 100 100 ILE CA C 100 58.700 58.700 56.648 2.052 17818 938 1 2 . 1 1 100 100 ILE CB C 100 39.400 39.400 37.494 1.906 17818 939 1 2 . 1 1 100 100 ILE H H 100 9.880 9.880 8.945 0.935 17818 940 1 2 . 1 1 101 101 PRO CA C 101 62.200 62.200 61.951 0.249 17818 941 1 2 . 1 1 101 101 PRO CB C 101 32.500 32.500 32.256 0.244 17818 942 1 2 . 1 1 102 102 TYR N N 102 118.100 118.100 119.407 -1.307 17818 943 1 2 . 1 1 102 102 TYR HA H 102 4.470 4.470 4.002 0.468 17818 944 1 2 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.516 0.584 17818 945 1 2 . 1 1 102 102 TYR CB C 102 37.000 37.000 36.841 0.159 17818 946 1 2 . 1 1 102 102 TYR H H 102 8.450 8.450 9.061 -0.611 17818 947 1 2 . 1 1 103 103 GLN N N 103 123.800 123.800 116.549 7.251 17818 948 1 2 . 1 1 103 103 GLN HA H 103 4.050 4.050 3.794 0.256 17818 949 1 2 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.246 2.254 17818 950 1 2 . 1 1 103 103 GLN CB C 103 27.300 27.300 27.785 -0.485 17818 951 1 2 . 1 1 103 103 GLN H H 103 9.080 9.080 7.533 1.547 17818 952 1 2 . 1 1 104 104 LEU N N 104 116.800 116.800 119.483 -2.683 17818 953 1 2 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.363 0.157 17818 954 1 2 . 1 1 104 104 LEU CA C 104 53.100 53.100 54.185 -1.085 17818 955 1 2 . 1 1 104 104 LEU CB C 104 43.400 43.400 41.901 1.499 17818 956 1 2 . 1 1 104 104 LEU H H 104 7.790 7.790 7.444 0.346 17818 957 1 2 . 1 1 105 105 ALA N N 105 125.400 125.400 120.231 5.169 17818 958 1 2 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.413 0.057 17818 959 1 2 . 1 1 105 105 ALA CA C 105 51.000 51.000 51.662 -0.662 17818 960 1 2 . 1 1 105 105 ALA CB C 105 18.900 18.900 19.915 -1.015 17818 961 1 2 . 1 1 105 105 ALA H H 105 7.780 7.780 7.178 0.602 17818 962 1 2 . 1 1 106 106 TYR N N 106 122.000 122.000 117.850 4.150 17818 963 1 2 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.413 0.197 17818 964 1 2 . 1 1 106 106 TYR CA C 106 59.300 59.300 58.254 1.046 17818 965 1 2 . 1 1 106 106 TYR CB C 106 37.400 37.400 37.908 -0.508 17818 966 1 2 . 1 1 106 106 TYR H H 106 9.430 9.430 8.609 0.821 17818 967 1 2 . 1 1 107 107 GLY N N 107 105.500 105.500 108.815 -3.315 17818 968 1 2 . 1 1 107 107 GLY CA C 107 46.500 46.500 46.400 0.100 17818 969 1 2 . 1 1 107 107 GLY H H 107 8.490 8.490 8.054 0.436 17818 970 1 2 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.269 -0.759 17818 971 1 2 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.705 -0.205 17818 972 1 2 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.520 0.080 17818 973 1 2 . 1 1 109 109 ARG N N 109 115.900 115.900 119.331 -3.431 17818 974 1 2 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.112 0.068 17818 975 1 2 . 1 1 109 109 ARG CA C 109 57.400 57.400 56.627 0.773 17818 976 1 2 . 1 1 109 109 ARG CB C 109 30.700 30.700 31.569 -0.869 17818 977 1 2 . 1 1 109 109 ARG H H 109 8.840 8.840 7.852 0.988 17818 978 1 2 . 1 1 110 110 GLY N N 110 130.700 130.700 105.545 25.155 17818 979 1 2 . 1 1 110 110 GLY CA C 110 44.800 44.800 44.807 -0.007 17818 980 1 2 . 1 1 110 110 GLY H H 110 7.140 7.140 8.058 -0.918 17818 981 1 2 . 1 1 111 111 TYR N N 111 119.700 119.700 122.063 -2.363 17818 982 1 2 . 1 1 111 111 TYR CA C 111 54.500 54.500 59.040 -4.540 17818 983 1 2 . 1 1 111 111 TYR CB C 111 38.600 38.600 38.603 -0.003 17818 984 1 2 . 1 1 111 111 TYR H H 111 8.570 8.570 8.840 -0.270 17818 985 1 2 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.431 -0.631 17818 986 1 2 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.885 2.415 17818 987 1 2 . 1 1 114 114 VAL N N 114 122.900 122.900 115.658 7.242 17818 988 1 2 . 1 1 114 114 VAL HA H 114 3.850 3.850 3.962 -0.112 17818 989 1 2 . 1 1 114 114 VAL CA C 114 65.600 65.600 63.528 2.072 17818 990 1 2 . 1 1 114 114 VAL CB C 114 33.000 33.000 31.977 1.023 17818 991 1 2 . 1 1 114 114 VAL H H 114 7.870 7.870 7.766 0.104 17818 992 1 2 . 1 1 115 115 ILE N N 115 118.100 118.100 120.988 -2.888 17818 993 1 2 . 1 1 115 115 ILE CA C 115 56.300 56.300 57.537 -1.237 17818 994 1 2 . 1 1 115 115 ILE CB C 115 37.700 37.700 36.881 0.819 17818 995 1 2 . 1 1 115 115 ILE H H 115 7.550 7.550 7.770 -0.220 17818 996 1 2 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.237 -0.617 17818 997 1 2 . 1 1 117 117 PRO CA C 117 63.400 63.400 63.609 -0.209 17818 998 1 2 . 1 1 117 117 PRO CB C 117 32.800 32.800 31.918 0.882 17818 999 1 2 . 1 1 118 118 LYS N N 118 115.100 115.100 117.228 -2.128 17818 1000 1 2 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.516 -0.936 17818 1001 1 2 . 1 1 118 118 LYS CA C 118 57.900 57.900 57.011 0.889 17818 1002 1 2 . 1 1 118 118 LYS CB C 118 29.700 29.700 29.962 -0.262 17818 1003 1 2 . 1 1 118 118 LYS H H 118 7.330 7.330 8.289 -0.959 17818 1004 1 2 . 1 1 119 119 ALA N N 119 121.900 121.900 120.829 1.071 17818 1005 1 2 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.361 0.089 17818 1006 1 2 . 1 1 119 119 ALA CA C 119 52.700 52.700 52.516 0.184 17818 1007 1 2 . 1 1 119 119 ALA CB C 119 20.100 20.100 20.311 -0.211 17818 1008 1 2 . 1 1 119 119 ALA H H 119 7.900 7.900 7.751 0.149 17818 1009 1 2 . 1 1 120 120 THR N N 120 121.800 121.800 116.227 5.573 17818 1010 1 2 . 1 1 120 120 THR CA C 120 63.100 63.100 61.918 1.182 17818 1011 1 2 . 1 1 120 120 THR CB C 120 69.800 69.800 70.191 -0.391 17818 1012 1 2 . 1 1 120 120 THR H H 120 8.170 8.170 8.176 -0.006 17818 1013 1 2 . 1 1 121 121 LEU N N 121 124.200 124.200 126.376 -2.176 17818 1014 1 2 . 1 1 121 121 LEU CA C 121 53.100 53.100 53.253 -0.153 17818 1015 1 2 . 1 1 121 121 LEU CB C 121 46.300 46.300 46.571 -0.271 17818 1016 1 2 . 1 1 121 121 LEU H H 121 8.640 8.640 8.912 -0.272 17818 1017 1 2 . 1 1 122 122 VAL N N 122 122.200 122.200 122.263 -0.063 17818 1018 1 2 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.511 0.779 17818 1019 1 2 . 1 1 122 122 VAL CA C 122 60.700 60.700 61.527 -0.827 17818 1020 1 2 . 1 1 122 122 VAL CB C 122 33.300 33.300 33.532 -0.232 17818 1021 1 2 . 1 1 122 122 VAL H H 122 8.860 8.860 8.566 0.294 17818 1022 1 2 . 1 1 123 123 PHE N N 123 122.900 122.900 124.947 -2.047 17818 1023 1 2 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.142 0.258 17818 1024 1 2 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.601 -1.201 17818 1025 1 2 . 1 1 123 123 PHE CB C 123 44.000 44.000 43.441 0.559 17818 1026 1 2 . 1 1 123 123 PHE H H 123 9.620 9.620 9.370 0.250 17818 1027 1 2 . 1 1 124 124 GLU N N 124 125.500 125.500 124.828 0.672 17818 1028 1 2 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.766 1.134 17818 1029 1 2 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.635 -1.035 17818 1030 1 2 . 1 1 124 124 GLU CB C 124 31.800 31.800 30.201 1.599 17818 1031 1 2 . 1 1 124 124 GLU H H 124 9.180 9.180 9.027 0.153 17818 1032 1 2 . 1 1 125 125 VAL N N 125 128.100 128.100 121.731 6.369 17818 1033 1 2 . 1 1 125 125 VAL CA C 125 61.300 61.300 60.767 0.532 17818 1034 1 2 . 1 1 125 125 VAL CB C 125 35.800 35.800 33.541 2.259 17818 1035 1 2 . 1 1 125 125 VAL H H 125 9.600 9.600 9.073 0.527 17818 1036 1 2 . 1 1 126 126 GLU N N 126 128.500 128.500 127.388 1.112 17818 1037 1 2 . 1 1 126 126 GLU HA H 126 5.630 5.630 5.222 0.408 17818 1038 1 2 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.514 -1.014 17818 1039 1 2 . 1 1 126 126 GLU CB C 126 34.000 34.000 34.195 -0.195 17818 1040 1 2 . 1 1 126 126 GLU H H 126 9.420 9.420 8.775 0.645 17818 1041 1 2 . 1 1 127 127 LEU N N 127 127.900 127.900 128.543 -0.643 17818 1042 1 2 . 1 1 127 127 LEU CA C 127 55.100 55.100 53.821 1.279 17818 1043 1 2 . 1 1 127 127 LEU CB C 127 41.400 41.400 42.159 -0.759 17818 1044 1 2 . 1 1 127 127 LEU H H 127 8.720 8.720 8.919 -0.199 17818 1045 1 2 . 1 1 128 128 LEU N N 128 128.700 128.700 128.284 0.416 17818 1046 1 2 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.291 0.109 17818 1047 1 2 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.449 0.451 17818 1048 1 2 . 1 1 128 128 LEU CB C 128 43.700 43.700 42.099 1.601 17818 1049 1 2 . 1 1 128 128 LEU H H 128 8.690 8.690 8.826 -0.136 17818 1050 1 2 . 1 1 129 129 ALA N N 129 118.600 118.600 115.902 2.698 17818 1051 1 2 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.464 -0.004 17818 1052 1 2 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.632 1.168 17818 1053 1 2 . 1 1 129 129 ALA CB C 129 21.100 21.100 20.858 0.242 17818 1054 1 2 . 1 1 129 129 ALA H H 129 7.810 7.810 7.983 -0.173 17818 1055 1 3 . 1 1 8 8 HIS CA C 8 54.700 54.700 56.481 -1.781 17818 1056 1 3 . 1 1 8 8 HIS CB C 8 31.200 31.200 29.658 1.542 17818 1057 1 3 . 1 1 9 9 MET N N 9 120.000 120.000 125.515 -5.515 17818 1058 1 3 . 1 1 9 9 MET HA H 9 4.280 4.280 4.427 -0.147 17818 1059 1 3 . 1 1 9 9 MET CA C 9 55.500 55.500 53.731 1.769 17818 1060 1 3 . 1 1 9 9 MET CB C 9 32.500 32.500 33.297 -0.797 17818 1061 1 3 . 1 1 9 9 MET H H 9 8.110 8.110 7.873 0.237 17818 1062 1 3 . 1 1 10 10 GLY N N 10 109.800 109.800 110.421 -0.621 17818 1063 1 3 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.665 0.635 17818 1064 1 3 . 1 1 10 10 GLY H H 10 8.440 8.440 8.488 -0.048 17818 1065 1 3 . 1 1 11 11 THR N N 11 113.600 113.600 122.385 -8.785 17818 1066 1 3 . 1 1 11 11 THR HA H 11 4.330 4.330 3.946 0.384 17818 1067 1 3 . 1 1 11 11 THR CA C 11 62.000 62.000 62.933 -0.933 17818 1068 1 3 . 1 1 11 11 THR CB C 11 69.900 69.900 68.806 1.094 17818 1069 1 3 . 1 1 11 11 THR H H 11 8.070 8.070 7.780 0.290 17818 1070 1 3 . 1 1 12 12 LEU N N 12 124.200 124.200 126.582 -2.382 17818 1071 1 3 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.511 -0.191 17818 1072 1 3 . 1 1 12 12 LEU CA C 12 55.500 55.500 54.296 1.204 17818 1073 1 3 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.100 0.000 17818 1074 1 3 . 1 1 12 12 LEU H H 12 8.380 8.380 7.953 0.427 17818 1075 1 3 . 1 1 13 13 GLU N N 13 121.600 121.600 119.909 1.691 17818 1076 1 3 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.189 0.011 17818 1077 1 3 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.378 0.522 17818 1078 1 3 . 1 1 13 13 GLU CB C 13 30.000 30.000 28.812 1.188 17818 1079 1 3 . 1 1 13 13 GLU H H 13 8.430 8.430 8.568 -0.138 17818 1080 1 3 . 1 1 14 14 ALA N N 14 124.400 124.400 129.092 -4.692 17818 1081 1 3 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.339 -0.069 17818 1082 1 3 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.002 0.698 17818 1083 1 3 . 1 1 14 14 ALA CB C 14 19.100 19.100 18.625 0.475 17818 1084 1 3 . 1 1 14 14 ALA H H 14 8.290 8.290 8.511 -0.221 17818 1085 1 3 . 1 1 15 15 GLN N N 15 119.100 119.100 122.225 -3.125 17818 1086 1 3 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.212 0.178 17818 1087 1 3 . 1 1 15 15 GLN CA C 15 56.000 56.000 56.647 -0.647 17818 1088 1 3 . 1 1 15 15 GLN CB C 15 29.400 29.400 29.108 0.292 17818 1089 1 3 . 1 1 15 15 GLN H H 15 8.370 8.370 8.409 -0.039 17818 1090 1 3 . 1 1 16 16 THR N N 16 114.900 114.900 115.925 -1.025 17818 1091 1 3 . 1 1 16 16 THR CA C 16 62.100 62.100 61.859 0.241 17818 1092 1 3 . 1 1 16 16 THR CB C 16 69.800 69.800 70.030 -0.230 17818 1093 1 3 . 1 1 16 16 THR H H 16 8.200 8.200 7.931 0.269 17818 1094 1 3 . 1 1 17 17 GLN N N 17 122.200 122.200 122.619 -0.419 17818 1095 1 3 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.308 0.122 17818 1096 1 3 . 1 1 17 17 GLN CA C 17 55.600 55.600 55.767 -0.167 17818 1097 1 3 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.854 -0.154 17818 1098 1 3 . 1 1 17 17 GLN H H 17 8.420 8.420 8.389 0.031 17818 1099 1 3 . 1 1 18 18 GLY N N 18 110.100 110.100 108.362 1.738 17818 1100 1 3 . 1 1 18 18 GLY CA C 18 44.600 44.600 43.425 1.175 17818 1101 1 3 . 1 1 18 18 GLY H H 18 8.360 8.360 8.465 -0.105 17818 1102 1 3 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.317 0.123 17818 1103 1 3 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.903 -0.303 17818 1104 1 3 . 1 1 19 19 PRO CB C 19 32.000 32.000 30.909 1.091 17818 1105 1 3 . 1 1 20 20 GLY N N 20 109.400 109.400 113.153 -3.753 17818 1106 1 3 . 1 1 20 20 GLY CA C 20 45.300 45.300 45.011 0.289 17818 1107 1 3 . 1 1 20 20 GLY H H 20 8.630 8.630 8.049 0.581 17818 1108 1 3 . 1 1 21 21 SER N N 21 115.400 115.400 119.086 -3.686 17818 1109 1 3 . 1 1 21 21 SER CA C 21 63.800 63.800 59.020 4.780 17818 1110 1 3 . 1 1 21 21 SER CB C 21 69.800 69.800 61.648 8.152 17818 1111 1 3 . 1 1 21 21 SER H H 21 4.180 4.180 8.003 -3.823 17818 1112 1 3 . 1 1 22 22 MET N N 22 121.900 121.900 119.520 2.380 17818 1113 1 3 . 1 1 22 22 MET CA C 22 55.500 55.500 56.801 -1.301 17818 1114 1 3 . 1 1 22 22 MET CB C 22 32.800 32.800 30.837 1.964 17818 1115 1 3 . 1 1 22 22 MET H H 22 8.440 8.440 8.295 0.145 17818 1116 1 3 . 1 1 23 23 SER N N 23 116.600 116.600 113.443 3.157 17818 1117 1 3 . 1 1 23 23 SER HA H 23 4.400 4.400 4.690 -0.290 17818 1118 1 3 . 1 1 23 23 SER CA C 23 58.300 58.300 57.325 0.975 17818 1119 1 3 . 1 1 23 23 SER CB C 23 63.700 63.700 65.271 -1.571 17818 1120 1 3 . 1 1 23 23 SER H H 23 8.290 8.290 7.746 0.544 17818 1121 1 3 . 1 1 24 24 ALA N N 24 125.700 125.700 129.103 -3.403 17818 1122 1 3 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.340 -0.050 17818 1123 1 3 . 1 1 24 24 ALA CA C 24 52.100 52.100 52.491 -0.391 17818 1124 1 3 . 1 1 24 24 ALA CB C 24 19.300 19.300 19.227 0.072 17818 1125 1 3 . 1 1 24 24 ALA H H 24 8.200 8.200 8.433 -0.233 17818 1126 1 3 . 1 1 25 25 GLN N N 25 118.300 118.300 122.286 -3.986 17818 1127 1 3 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.494 0.016 17818 1128 1 3 . 1 1 25 25 GLN CA C 25 54.200 54.200 54.922 -0.722 17818 1129 1 3 . 1 1 25 25 GLN CB C 25 31.300 31.300 29.917 1.383 17818 1130 1 3 . 1 1 25 25 GLN H H 25 8.280 8.280 8.640 -0.360 17818 1131 1 3 . 1 1 26 26 LEU N N 26 122.100 122.100 127.526 -5.426 17818 1132 1 3 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.468 -0.008 17818 1133 1 3 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.133 1.167 17818 1134 1 3 . 1 1 26 26 LEU CB C 26 43.500 43.500 43.457 0.043 17818 1135 1 3 . 1 1 26 26 LEU H H 26 8.480 8.480 8.528 -0.048 17818 1136 1 3 . 1 1 27 27 GLU N N 27 125.300 125.300 126.461 -1.161 17818 1137 1 3 . 1 1 27 27 GLU CA C 27 55.300 55.300 54.482 0.818 17818 1138 1 3 . 1 1 27 27 GLU CB C 27 32.400 32.400 32.124 0.276 17818 1139 1 3 . 1 1 27 27 GLU H H 27 8.240 8.240 8.477 -0.237 17818 1140 1 3 . 1 1 28 28 LYS N N 28 125.000 125.000 122.869 2.131 17818 1141 1 3 . 1 1 28 28 LYS HA H 28 4.610 4.610 4.857 -0.247 17818 1142 1 3 . 1 1 28 28 LYS CA C 28 54.500 54.500 54.484 0.016 17818 1143 1 3 . 1 1 28 28 LYS CB C 28 35.700 35.700 33.325 2.375 17818 1144 1 3 . 1 1 28 28 LYS H H 28 8.810 8.810 8.420 0.390 17818 1145 1 3 . 1 1 29 29 LYS N N 29 128.100 128.100 125.989 2.111 17818 1146 1 3 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.547 0.483 17818 1147 1 3 . 1 1 29 29 LYS CA C 29 55.000 55.000 56.162 -1.162 17818 1148 1 3 . 1 1 29 29 LYS CB C 29 36.200 36.200 36.121 0.079 17818 1149 1 3 . 1 1 29 29 LYS H H 29 8.850 8.850 8.874 -0.024 17818 1150 1 3 . 1 1 30 30 VAL N N 30 127.200 127.200 126.656 0.544 17818 1151 1 3 . 1 1 30 30 VAL HA H 30 3.660 3.660 4.093 -0.433 17818 1152 1 3 . 1 1 30 30 VAL CA C 30 64.800 64.800 62.697 2.103 17818 1153 1 3 . 1 1 30 30 VAL CB C 30 31.600 31.600 32.583 -0.983 17818 1154 1 3 . 1 1 30 30 VAL H H 30 9.170 9.170 8.757 0.413 17818 1155 1 3 . 1 1 31 31 LEU N N 31 129.800 129.800 127.951 1.849 17818 1156 1 3 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.737 -0.297 17818 1157 1 3 . 1 1 31 31 LEU CA C 31 56.000 56.000 54.904 1.096 17818 1158 1 3 . 1 1 31 31 LEU CB C 31 41.800 41.800 42.767 -0.967 17818 1159 1 3 . 1 1 31 31 LEU H H 31 9.020 9.020 8.912 0.108 17818 1160 1 3 . 1 1 32 32 THR N N 32 115.700 115.700 116.927 -1.227 17818 1161 1 3 . 1 1 32 32 THR CA C 32 59.300 59.300 60.493 -1.194 17818 1162 1 3 . 1 1 32 32 THR CB C 32 72.500 72.500 70.885 1.615 17818 1163 1 3 . 1 1 32 32 THR H H 32 8.220 8.220 8.149 0.071 17818 1164 1 3 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.778 -0.488 17818 1165 1 3 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.163 0.837 17818 1166 1 3 . 1 1 33 33 PRO CB C 33 32.400 32.400 31.967 0.433 17818 1167 1 3 . 1 1 34 34 GLY N N 34 109.400 109.400 111.879 -2.479 17818 1168 1 3 . 1 1 34 34 GLY CA C 34 44.200 44.200 43.721 0.479 17818 1169 1 3 . 1 1 34 34 GLY H H 34 9.010 9.010 8.493 0.517 17818 1170 1 3 . 1 1 35 35 ASP N N 35 119.400 119.400 119.815 -0.415 17818 1171 1 3 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.339 -0.009 17818 1172 1 3 . 1 1 35 35 ASP CA C 35 54.700 54.700 57.045 -2.345 17818 1173 1 3 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.042 -1.642 17818 1174 1 3 . 1 1 35 35 ASP H H 35 8.370 8.370 8.299 0.071 17818 1175 1 3 . 1 1 36 36 GLY N N 36 107.900 107.900 106.866 1.034 17818 1176 1 3 . 1 1 36 36 GLY CA C 36 46.000 46.000 46.724 -0.724 17818 1177 1 3 . 1 1 36 36 GLY H H 36 8.750 8.750 8.011 0.739 17818 1178 1 3 . 1 1 37 37 VAL N N 37 116.200 116.200 115.564 0.636 17818 1179 1 3 . 1 1 37 37 VAL HA H 37 4.500 4.500 3.989 0.511 17818 1180 1 3 . 1 1 37 37 VAL CA C 37 62.500 62.500 63.559 -1.058 17818 1181 1 3 . 1 1 37 37 VAL CB C 37 35.900 35.900 31.458 4.442 17818 1182 1 3 . 1 1 37 37 VAL H H 37 8.590 8.590 7.882 0.708 17818 1183 1 3 . 1 1 38 38 THR N N 38 126.400 126.400 111.679 14.721 17818 1184 1 3 . 1 1 38 38 THR HA H 38 4.210 4.210 4.279 -0.069 17818 1185 1 3 . 1 1 38 38 THR CA C 38 63.300 63.300 61.925 1.375 17818 1186 1 3 . 1 1 38 38 THR CB C 38 65.800 65.800 69.573 -3.772 17818 1187 1 3 . 1 1 38 38 THR H H 38 10.650 10.650 7.459 3.191 17818 1188 1 3 . 1 1 39 39 LYS N N 39 127.000 127.000 126.753 0.247 17818 1189 1 3 . 1 1 39 39 LYS CA C 39 53.400 53.400 53.094 0.306 17818 1190 1 3 . 1 1 39 39 LYS CB C 39 33.200 33.200 32.672 0.528 17818 1191 1 3 . 1 1 39 39 LYS H H 39 8.390 8.390 8.424 -0.034 17818 1192 1 3 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.708 -0.507 17818 1193 1 3 . 1 1 40 40 PRO CB C 40 33.300 33.300 32.629 0.671 17818 1194 1 3 . 1 1 41 41 GLN N N 41 120.900 120.900 121.608 -0.708 17818 1195 1 3 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.495 -0.035 17818 1196 1 3 . 1 1 41 41 GLN CA C 41 53.700 53.700 54.294 -0.594 17818 1197 1 3 . 1 1 41 41 GLN CB C 41 31.500 31.500 30.867 0.633 17818 1198 1 3 . 1 1 41 41 GLN H H 41 8.750 8.750 8.224 0.526 17818 1199 1 3 . 1 1 42 42 ALA N N 42 125.700 125.700 125.464 0.236 17818 1200 1 3 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.114 -0.334 17818 1201 1 3 . 1 1 42 42 ALA CA C 42 53.400 53.400 52.130 1.270 17818 1202 1 3 . 1 1 42 42 ALA CB C 42 17.800 17.800 19.072 -1.272 17818 1203 1 3 . 1 1 42 42 ALA H H 42 8.550 8.550 8.312 0.238 17818 1204 1 3 . 1 1 43 43 GLY N N 43 109.700 109.700 106.679 3.021 17818 1205 1 3 . 1 1 43 43 GLY CA C 43 45.200 45.200 45.205 -0.005 17818 1206 1 3 . 1 1 43 43 GLY H H 43 8.970 8.970 8.552 0.418 17818 1207 1 3 . 1 1 44 44 LYS N N 44 120.300 120.300 118.080 2.220 17818 1208 1 3 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.557 0.113 17818 1209 1 3 . 1 1 44 44 LYS CA C 44 53.800 53.800 53.971 -0.171 17818 1210 1 3 . 1 1 44 44 LYS CB C 44 34.100 34.100 35.798 -1.698 17818 1211 1 3 . 1 1 44 44 LYS H H 44 7.920 7.920 7.512 0.408 17818 1212 1 3 . 1 1 45 45 LYS N N 45 120.800 120.800 120.954 -0.154 17818 1213 1 3 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.445 0.075 17818 1214 1 3 . 1 1 45 45 LYS CA C 45 56.300 56.300 56.284 0.016 17818 1215 1 3 . 1 1 45 45 LYS CB C 45 32.900 32.900 32.940 -0.040 17818 1216 1 3 . 1 1 45 45 LYS H H 45 8.340 8.340 8.333 0.007 17818 1217 1 3 . 1 1 46 46 VAL N N 46 117.600 117.600 120.765 -3.165 17818 1218 1 3 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.448 0.112 17818 1219 1 3 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.886 -0.986 17818 1220 1 3 . 1 1 46 46 VAL CB C 46 33.900 33.900 35.247 -1.347 17818 1221 1 3 . 1 1 46 46 VAL H H 46 8.560 8.560 8.702 -0.142 17818 1222 1 3 . 1 1 47 47 THR N N 47 115.600 115.600 123.562 -7.962 17818 1223 1 3 . 1 1 47 47 THR HA H 47 5.100 5.100 4.969 0.131 17818 1224 1 3 . 1 1 47 47 THR CA C 47 61.600 61.600 62.780 -1.180 17818 1225 1 3 . 1 1 47 47 THR CB C 47 69.800 69.800 68.758 1.042 17818 1226 1 3 . 1 1 47 47 THR H H 47 8.130 8.130 8.596 -0.466 17818 1227 1 3 . 1 1 48 48 VAL N N 48 118.100 118.100 121.911 -3.811 17818 1228 1 3 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.369 0.421 17818 1229 1 3 . 1 1 48 48 VAL CA C 48 58.000 58.000 58.997 -0.997 17818 1230 1 3 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.885 -0.385 17818 1231 1 3 . 1 1 48 48 VAL H H 48 9.740 9.740 9.096 0.644 17818 1232 1 3 . 1 1 49 49 HIS N N 49 119.000 119.000 119.260 -0.260 17818 1233 1 3 . 1 1 49 49 HIS HA H 49 5.810 5.810 5.261 0.549 17818 1234 1 3 . 1 1 49 49 HIS CA C 49 54.600 54.600 55.249 -0.649 17818 1235 1 3 . 1 1 49 49 HIS CB C 49 35.600 35.600 33.779 1.821 17818 1236 1 3 . 1 1 49 49 HIS H H 49 8.630 8.630 9.035 -0.405 17818 1237 1 3 . 1 1 50 50 TYR N N 50 116.800 116.800 118.528 -1.728 17818 1238 1 3 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.552 0.678 17818 1239 1 3 . 1 1 50 50 TYR CA C 50 56.000 56.000 54.860 1.140 17818 1240 1 3 . 1 1 50 50 TYR CB C 50 43.500 43.500 40.968 2.531 17818 1241 1 3 . 1 1 50 50 TYR H H 50 9.870 9.870 8.132 1.738 17818 1242 1 3 . 1 1 51 51 ASP N N 51 120.400 120.400 119.729 0.671 17818 1243 1 3 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.869 0.081 17818 1244 1 3 . 1 1 51 51 ASP CA C 51 54.400 54.400 53.115 1.285 17818 1245 1 3 . 1 1 51 51 ASP CB C 51 44.900 44.900 45.494 -0.594 17818 1246 1 3 . 1 1 51 51 ASP H H 51 8.840 8.840 8.503 0.337 17818 1247 1 3 . 1 1 52 52 GLY N N 52 112.500 112.500 107.658 4.842 17818 1248 1 3 . 1 1 52 52 GLY CA C 52 45.300 45.300 43.963 1.337 17818 1249 1 3 . 1 1 52 52 GLY H H 52 9.130 9.130 8.592 0.538 17818 1250 1 3 . 1 1 53 53 ARG N N 53 125.200 125.200 120.296 4.904 17818 1251 1 3 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.565 0.465 17818 1252 1 3 . 1 1 53 53 ARG CA C 53 53.900 53.900 55.462 -1.562 17818 1253 1 3 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.577 0.223 17818 1254 1 3 . 1 1 53 53 ARG H H 53 9.370 9.370 8.390 0.980 17818 1255 1 3 . 1 1 54 54 PHE N N 54 119.400 119.400 122.463 -3.063 17818 1256 1 3 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.961 -0.721 17818 1257 1 3 . 1 1 54 54 PHE CA C 54 57.300 57.300 55.814 1.486 17818 1258 1 3 . 1 1 54 54 PHE CB C 54 37.700 37.700 39.065 -1.365 17818 1259 1 3 . 1 1 54 54 PHE H H 54 8.770 8.770 8.471 0.299 17818 1260 1 3 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.226 0.054 17818 1261 1 3 . 1 1 55 55 PRO CA C 55 65.700 65.700 65.049 0.651 17818 1262 1 3 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.637 0.163 17818 1263 1 3 . 1 1 56 56 ASP N N 56 113.600 113.600 118.009 -4.409 17818 1264 1 3 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.454 0.016 17818 1265 1 3 . 1 1 56 56 ASP CA C 56 53.900 53.900 54.331 -0.431 17818 1266 1 3 . 1 1 56 56 ASP CB C 56 39.800 39.800 40.742 -0.943 17818 1267 1 3 . 1 1 56 56 ASP H H 56 7.780 7.780 8.306 -0.526 17818 1268 1 3 . 1 1 57 57 GLY N N 57 108.700 108.700 106.664 2.036 17818 1269 1 3 . 1 1 57 57 GLY CA C 57 44.900 44.900 45.112 -0.212 17818 1270 1 3 . 1 1 57 57 GLY H H 57 8.440 8.440 7.989 0.451 17818 1271 1 3 . 1 1 58 58 LYS N N 58 122.800 122.800 119.453 3.347 17818 1272 1 3 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.637 -0.387 17818 1273 1 3 . 1 1 58 58 LYS CA C 58 57.500 57.500 54.859 2.641 17818 1274 1 3 . 1 1 58 58 LYS CB C 58 32.600 32.600 35.077 -2.477 17818 1275 1 3 . 1 1 58 58 LYS H H 58 8.230 8.230 7.771 0.459 17818 1276 1 3 . 1 1 59 59 GLN N N 59 125.800 125.800 121.753 4.047 17818 1277 1 3 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.962 -0.512 17818 1278 1 3 . 1 1 59 59 GLN CA C 59 56.300 56.300 55.086 1.214 17818 1279 1 3 . 1 1 59 59 GLN CB C 59 30.900 30.900 30.683 0.217 17818 1280 1 3 . 1 1 59 59 GLN H H 59 8.810 8.810 8.557 0.253 17818 1281 1 3 . 1 1 60 60 PHE N N 60 121.200 121.200 123.779 -2.579 17818 1282 1 3 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.339 0.761 17818 1283 1 3 . 1 1 60 60 PHE CA C 60 56.500 56.500 60.154 -3.654 17818 1284 1 3 . 1 1 60 60 PHE CB C 60 40.900 40.900 39.879 1.021 17818 1285 1 3 . 1 1 60 60 PHE H H 60 8.340 8.340 9.205 -0.865 17818 1286 1 3 . 1 1 61 61 ASP N N 61 119.100 119.100 115.453 3.647 17818 1287 1 3 . 1 1 61 61 ASP CA C 61 54.700 54.700 53.331 1.369 17818 1288 1 3 . 1 1 61 61 ASP CB C 61 44.200 44.200 43.582 0.618 17818 1289 1 3 . 1 1 61 61 ASP H H 61 7.030 7.030 8.175 -1.145 17818 1290 1 3 . 1 1 62 62 SER N N 62 117.400 117.400 115.206 2.194 17818 1291 1 3 . 1 1 62 62 SER CA C 62 57.000 57.000 57.370 -0.370 17818 1292 1 3 . 1 1 62 62 SER CB C 62 64.800 64.800 65.370 -0.570 17818 1293 1 3 . 1 1 62 62 SER H H 62 8.100 8.100 8.451 -0.351 17818 1294 1 3 . 1 1 63 63 SER N N 63 123.600 123.600 122.875 0.725 17818 1295 1 3 . 1 1 63 63 SER HA H 63 4.200 4.200 4.411 -0.211 17818 1296 1 3 . 1 1 63 63 SER CA C 63 61.300 61.300 60.750 0.550 17818 1297 1 3 . 1 1 63 63 SER CB C 63 61.300 61.300 63.510 -2.210 17818 1298 1 3 . 1 1 63 63 SER H H 63 8.070 8.070 9.002 -0.932 17818 1299 1 3 . 1 1 64 64 ARG N N 64 124.000 124.000 121.081 2.919 17818 1300 1 3 . 1 1 64 64 ARG HA H 64 3.620 3.620 4.152 -0.532 17818 1301 1 3 . 1 1 64 64 ARG CA C 64 59.300 59.300 59.039 0.261 17818 1302 1 3 . 1 1 64 64 ARG CB C 64 28.800 28.800 29.451 -0.651 17818 1303 1 3 . 1 1 64 64 ARG H H 64 8.810 8.810 8.564 0.246 17818 1304 1 3 . 1 1 65 65 SER N N 65 114.600 114.600 117.025 -2.425 17818 1305 1 3 . 1 1 65 65 SER HA H 65 4.190 4.190 4.264 -0.074 17818 1306 1 3 . 1 1 65 65 SER CA C 65 60.700 60.700 60.828 -0.128 17818 1307 1 3 . 1 1 65 65 SER CB C 65 62.700 62.700 62.737 -0.037 17818 1308 1 3 . 1 1 65 65 SER H H 65 7.800 7.800 7.807 -0.007 17818 1309 1 3 . 1 1 66 66 ARG N N 66 118.000 118.000 118.436 -0.436 17818 1310 1 3 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.379 0.041 17818 1311 1 3 . 1 1 66 66 ARG CA C 66 57.100 57.100 55.214 1.886 17818 1312 1 3 . 1 1 66 66 ARG CB C 66 31.500 31.500 30.169 1.331 17818 1313 1 3 . 1 1 66 66 ARG H H 66 7.110 7.110 7.527 -0.417 17818 1314 1 3 . 1 1 67 67 GLY N N 67 106.700 106.700 109.378 -2.678 17818 1315 1 3 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.830 -0.030 17818 1316 1 3 . 1 1 67 67 GLY H H 67 7.800 7.800 7.827 -0.027 17818 1317 1 3 . 1 1 68 68 LYS N N 68 117.600 117.600 121.462 -3.862 17818 1318 1 3 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.659 0.351 17818 1319 1 3 . 1 1 68 68 LYS CA C 68 53.100 53.100 52.380 0.720 17818 1320 1 3 . 1 1 68 68 LYS CB C 68 34.900 34.900 33.830 1.070 17818 1321 1 3 . 1 1 68 68 LYS H H 68 7.440 7.440 7.758 -0.318 17818 1322 1 3 . 1 1 69 69 PRO HA H 69 4.060 4.060 4.381 -0.321 17818 1323 1 3 . 1 1 69 69 PRO CA C 69 62.700 62.700 62.189 0.511 17818 1324 1 3 . 1 1 69 69 PRO CB C 69 32.300 32.300 32.341 -0.041 17818 1325 1 3 . 1 1 70 70 PHE N N 70 123.200 123.200 117.947 5.253 17818 1326 1 3 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.932 0.108 17818 1327 1 3 . 1 1 70 70 PHE CA C 70 57.100 57.100 57.237 -0.137 17818 1328 1 3 . 1 1 70 70 PHE CB C 70 42.900 42.900 44.095 -1.195 17818 1329 1 3 . 1 1 70 70 PHE H H 70 9.180 9.180 8.684 0.496 17818 1330 1 3 . 1 1 71 71 GLN N N 71 126.000 126.000 119.045 6.955 17818 1331 1 3 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.593 0.157 17818 1332 1 3 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.842 -1.542 17818 1333 1 3 . 1 1 71 71 GLN CB C 71 32.900 32.900 32.747 0.153 17818 1334 1 3 . 1 1 71 71 GLN H H 71 8.020 8.020 8.638 -0.618 17818 1335 1 3 . 1 1 72 72 PHE N N 72 116.800 116.800 119.698 -2.898 17818 1336 1 3 . 1 1 72 72 PHE HA H 72 4.700 4.700 5.043 -0.343 17818 1337 1 3 . 1 1 72 72 PHE CA C 72 55.500 55.500 56.185 -0.685 17818 1338 1 3 . 1 1 72 72 PHE CB C 72 40.900 40.900 41.483 -0.583 17818 1339 1 3 . 1 1 72 72 PHE H H 72 8.110 8.110 9.146 -1.036 17818 1340 1 3 . 1 1 73 73 THR N N 73 118.800 118.800 119.140 -0.340 17818 1341 1 3 . 1 1 73 73 THR HA H 73 3.960 3.960 4.295 -0.335 17818 1342 1 3 . 1 1 73 73 THR CA C 73 62.600 62.600 62.636 -0.036 17818 1343 1 3 . 1 1 73 73 THR CB C 73 67.500 67.500 68.744 -1.244 17818 1344 1 3 . 1 1 73 73 THR H H 73 9.080 9.080 8.758 0.322 17818 1345 1 3 . 1 1 74 74 LEU N N 74 132.500 132.500 129.422 3.078 17818 1346 1 3 . 1 1 74 74 LEU HA H 74 4.140 4.140 3.675 0.465 17818 1347 1 3 . 1 1 74 74 LEU CA C 74 56.800 56.800 56.006 0.794 17818 1348 1 3 . 1 1 74 74 LEU CB C 74 41.800 41.800 42.140 -0.340 17818 1349 1 3 . 1 1 74 74 LEU H H 74 8.220 8.220 8.199 0.021 17818 1350 1 3 . 1 1 75 75 GLY N N 75 118.100 118.100 113.631 4.469 17818 1351 1 3 . 1 1 75 75 GLY CA C 75 46.200 46.200 45.428 0.772 17818 1352 1 3 . 1 1 75 75 GLY H H 75 9.850 9.850 9.178 0.672 17818 1353 1 3 . 1 1 76 76 ALA N N 76 120.600 120.600 125.325 -4.725 17818 1354 1 3 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.494 0.006 17818 1355 1 3 . 1 1 76 76 ALA CA C 76 51.900 51.900 51.302 0.598 17818 1356 1 3 . 1 1 76 76 ALA CB C 76 20.200 20.200 19.892 0.308 17818 1357 1 3 . 1 1 76 76 ALA H H 76 7.550 7.550 7.650 -0.100 17818 1358 1 3 . 1 1 77 77 GLY N N 77 110.500 110.500 105.844 4.656 17818 1359 1 3 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.383 1.017 17818 1360 1 3 . 1 1 77 77 GLY H H 77 8.790 8.790 8.634 0.156 17818 1361 1 3 . 1 1 78 78 GLU N N 78 119.400 119.400 121.034 -1.634 17818 1362 1 3 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.396 -0.246 17818 1363 1 3 . 1 1 78 78 GLU CA C 78 57.200 57.200 57.238 -0.038 17818 1364 1 3 . 1 1 78 78 GLU CB C 78 30.900 30.900 30.647 0.253 17818 1365 1 3 . 1 1 78 78 GLU H H 78 9.240 9.240 8.318 0.922 17818 1366 1 3 . 1 1 79 79 VAL N N 79 108.600 108.600 113.301 -4.701 17818 1367 1 3 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.398 -0.178 17818 1368 1 3 . 1 1 79 79 VAL CA C 79 57.300 57.300 59.712 -2.412 17818 1369 1 3 . 1 1 79 79 VAL CB C 79 35.400 35.400 33.958 1.442 17818 1370 1 3 . 1 1 79 79 VAL H H 79 6.760 6.760 7.420 -0.660 17818 1371 1 3 . 1 1 80 80 ILE N N 80 111.800 111.800 114.888 -3.088 17818 1372 1 3 . 1 1 80 80 ILE HA H 80 3.800 3.800 4.016 -0.216 17818 1373 1 3 . 1 1 80 80 ILE CA C 80 61.800 61.800 61.189 0.611 17818 1374 1 3 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.194 -0.194 17818 1375 1 3 . 1 1 80 80 ILE H H 80 7.300 7.300 7.837 -0.537 17818 1376 1 3 . 1 1 81 81 LYS N N 81 124.700 124.700 125.786 -1.086 17818 1377 1 3 . 1 1 81 81 LYS HA H 81 4.160 4.160 4.023 0.137 17818 1378 1 3 . 1 1 81 81 LYS CA C 81 59.700 59.700 58.334 1.365 17818 1379 1 3 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.482 1.318 17818 1380 1 3 . 1 1 81 81 LYS H H 81 8.880 8.880 8.673 0.207 17818 1381 1 3 . 1 1 82 82 GLY N N 82 101.700 101.700 108.352 -6.652 17818 1382 1 3 . 1 1 82 82 GLY CA C 82 47.300 47.300 46.944 0.356 17818 1383 1 3 . 1 1 82 82 GLY H H 82 9.580 9.580 8.371 1.209 17818 1384 1 3 . 1 1 83 83 TRP N N 83 119.300 119.300 121.761 -2.461 17818 1385 1 3 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.344 -0.334 17818 1386 1 3 . 1 1 83 83 TRP CA C 83 59.300 59.300 56.571 2.729 17818 1387 1 3 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.471 0.629 17818 1388 1 3 . 1 1 83 83 TRP H H 83 7.450 7.450 7.165 0.285 17818 1389 1 3 . 1 1 84 84 ASP N N 84 120.900 120.900 119.553 1.347 17818 1390 1 3 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.361 -0.360 17818 1391 1 3 . 1 1 84 84 ASP CA C 84 58.200 58.200 58.139 0.061 17818 1392 1 3 . 1 1 84 84 ASP CB C 84 41.000 41.000 40.804 0.196 17818 1393 1 3 . 1 1 84 84 ASP H H 84 7.120 7.120 8.211 -1.091 17818 1394 1 3 . 1 1 85 85 GLN N N 85 114.500 114.500 118.481 -3.981 17818 1395 1 3 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.108 -0.108 17818 1396 1 3 . 1 1 85 85 GLN CA C 85 58.200 58.200 58.088 0.112 17818 1397 1 3 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.837 0.063 17818 1398 1 3 . 1 1 85 85 GLN H H 85 8.360 8.360 7.930 0.430 17818 1399 1 3 . 1 1 86 86 GLY N N 86 106.300 106.300 108.580 -2.280 17818 1400 1 3 . 1 1 86 86 GLY CA C 86 47.700 47.700 46.801 0.899 17818 1401 1 3 . 1 1 86 86 GLY H H 86 7.960 7.960 7.957 0.003 17818 1402 1 3 . 1 1 87 87 VAL N N 87 125.300 125.300 121.533 3.767 17818 1403 1 3 . 1 1 87 87 VAL HA H 87 3.630 3.630 3.928 -0.298 17818 1404 1 3 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.225 2.175 17818 1405 1 3 . 1 1 87 87 VAL CB C 87 30.300 30.300 31.741 -1.442 17818 1406 1 3 . 1 1 87 87 VAL H H 87 9.090 9.090 8.173 0.917 17818 1407 1 3 . 1 1 88 88 ALA N N 88 116.500 116.500 123.074 -6.574 17818 1408 1 3 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.134 -0.144 17818 1409 1 3 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.822 -0.521 17818 1410 1 3 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.627 -0.027 17818 1411 1 3 . 1 1 88 88 ALA H H 88 6.750 6.750 7.971 -1.221 17818 1412 1 3 . 1 1 89 89 THR N N 89 105.500 105.500 112.877 -7.377 17818 1413 1 3 . 1 1 89 89 THR HA H 89 4.520 4.520 4.354 0.166 17818 1414 1 3 . 1 1 89 89 THR CA C 89 62.300 62.300 62.207 0.093 17818 1415 1 3 . 1 1 89 89 THR CB C 89 71.100 71.100 68.925 2.175 17818 1416 1 3 . 1 1 89 89 THR H H 89 7.400 7.400 7.872 -0.472 17818 1417 1 3 . 1 1 90 90 MET N N 90 122.400 122.400 118.087 4.313 17818 1418 1 3 . 1 1 90 90 MET CA C 90 56.200 56.200 54.331 1.869 17818 1419 1 3 . 1 1 90 90 MET CB C 90 36.800 36.800 36.337 0.463 17818 1420 1 3 . 1 1 90 90 MET H H 90 7.550 7.550 7.510 0.040 17818 1421 1 3 . 1 1 91 91 THR N N 91 105.200 105.200 109.782 -4.582 17818 1422 1 3 . 1 1 91 91 THR HA H 91 5.120 5.120 4.631 0.489 17818 1423 1 3 . 1 1 91 91 THR CA C 91 59.800 59.800 59.652 0.148 17818 1424 1 3 . 1 1 91 91 THR CB C 91 71.900 71.900 72.298 -0.398 17818 1425 1 3 . 1 1 91 91 THR H H 91 7.350 7.350 8.643 -1.293 17818 1426 1 3 . 1 1 92 92 LEU N N 92 121.200 121.200 121.214 -0.014 17818 1427 1 3 . 1 1 92 92 LEU HA H 92 3.600 3.600 3.896 -0.296 17818 1428 1 3 . 1 1 92 92 LEU CA C 92 58.100 58.100 56.130 1.970 17818 1429 1 3 . 1 1 92 92 LEU CB C 92 43.400 43.400 42.624 0.776 17818 1430 1 3 . 1 1 92 92 LEU H H 92 8.180 8.180 8.331 -0.151 17818 1431 1 3 . 1 1 93 93 GLY N N 93 115.800 115.800 112.762 3.038 17818 1432 1 3 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.212 -0.512 17818 1433 1 3 . 1 1 93 93 GLY H H 93 8.490 8.490 9.052 -0.562 17818 1434 1 3 . 1 1 94 94 GLU N N 94 123.700 123.700 120.843 2.857 17818 1435 1 3 . 1 1 94 94 GLU HA H 94 4.290 4.290 4.891 -0.601 17818 1436 1 3 . 1 1 94 94 GLU CA C 94 56.100 56.100 54.913 1.187 17818 1437 1 3 . 1 1 94 94 GLU CB C 94 33.500 33.500 32.936 0.564 17818 1438 1 3 . 1 1 94 94 GLU H H 94 8.650 8.650 7.729 0.921 17818 1439 1 3 . 1 1 95 95 LYS N N 95 124.200 124.200 126.955 -2.755 17818 1440 1 3 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.294 0.266 17818 1441 1 3 . 1 1 95 95 LYS CA C 95 54.600 54.600 55.070 -0.470 17818 1442 1 3 . 1 1 95 95 LYS CB C 95 35.300 35.300 36.287 -0.987 17818 1443 1 3 . 1 1 95 95 LYS H H 95 8.950 8.950 8.685 0.265 17818 1444 1 3 . 1 1 96 96 ALA N N 96 129.100 129.100 128.999 0.101 17818 1445 1 3 . 1 1 96 96 ALA HA H 96 4.990 4.990 4.963 0.027 17818 1446 1 3 . 1 1 96 96 ALA CA C 96 50.500 50.500 50.338 0.162 17818 1447 1 3 . 1 1 96 96 ALA CB C 96 23.900 23.900 23.006 0.894 17818 1448 1 3 . 1 1 96 96 ALA H H 96 9.530 9.530 9.247 0.283 17818 1449 1 3 . 1 1 97 97 LEU N N 97 122.200 122.200 123.925 -1.725 17818 1450 1 3 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.743 0.437 17818 1451 1 3 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.115 -1.115 17818 1452 1 3 . 1 1 97 97 LEU CB C 97 45.800 45.800 43.371 2.429 17818 1453 1 3 . 1 1 97 97 LEU H H 97 9.100 9.100 8.882 0.218 17818 1454 1 3 . 1 1 98 98 PHE N N 98 125.800 125.800 129.353 -3.553 17818 1455 1 3 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.414 0.286 17818 1456 1 3 . 1 1 98 98 PHE CA C 98 56.500 56.500 55.776 0.724 17818 1457 1 3 . 1 1 98 98 PHE CB C 98 42.300 42.300 43.254 -0.954 17818 1458 1 3 . 1 1 98 98 PHE H H 98 9.940 9.940 9.401 0.539 17818 1459 1 3 . 1 1 99 99 THR N N 99 121.600 121.600 124.787 -3.187 17818 1460 1 3 . 1 1 99 99 THR CA C 99 63.500 63.500 62.970 0.530 17818 1461 1 3 . 1 1 99 99 THR CB C 99 68.600 68.600 68.445 0.155 17818 1462 1 3 . 1 1 99 99 THR H H 99 9.100 9.100 8.612 0.488 17818 1463 1 3 . 1 1 100 100 ILE N N 100 127.400 127.400 129.701 -2.301 17818 1464 1 3 . 1 1 100 100 ILE CA C 100 58.700 58.700 57.422 1.278 17818 1465 1 3 . 1 1 100 100 ILE CB C 100 39.400 39.400 37.649 1.751 17818 1466 1 3 . 1 1 100 100 ILE H H 100 9.880 9.880 8.960 0.920 17818 1467 1 3 . 1 1 101 101 PRO CA C 101 62.200 62.200 62.297 -0.097 17818 1468 1 3 . 1 1 101 101 PRO CB C 101 32.500 32.500 32.056 0.445 17818 1469 1 3 . 1 1 102 102 TYR N N 102 118.100 118.100 118.976 -0.876 17818 1470 1 3 . 1 1 102 102 TYR HA H 102 4.470 4.470 4.107 0.363 17818 1471 1 3 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.756 0.344 17818 1472 1 3 . 1 1 102 102 TYR CB C 102 37.000 37.000 37.040 -0.040 17818 1473 1 3 . 1 1 102 102 TYR H H 102 8.450 8.450 8.250 0.200 17818 1474 1 3 . 1 1 103 103 GLN N N 103 123.800 123.800 117.735 6.065 17818 1475 1 3 . 1 1 103 103 GLN HA H 103 4.050 4.050 4.075 -0.025 17818 1476 1 3 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.724 1.776 17818 1477 1 3 . 1 1 103 103 GLN CB C 103 27.300 27.300 28.239 -0.939 17818 1478 1 3 . 1 1 103 103 GLN H H 103 9.080 9.080 7.724 1.356 17818 1479 1 3 . 1 1 104 104 LEU N N 104 116.800 116.800 115.958 0.842 17818 1480 1 3 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.369 0.151 17818 1481 1 3 . 1 1 104 104 LEU CA C 104 53.100 53.100 53.968 -0.868 17818 1482 1 3 . 1 1 104 104 LEU CB C 104 43.400 43.400 41.878 1.522 17818 1483 1 3 . 1 1 104 104 LEU H H 104 7.790 7.790 7.548 0.242 17818 1484 1 3 . 1 1 105 105 ALA N N 105 125.400 125.400 120.316 5.084 17818 1485 1 3 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.430 0.040 17818 1486 1 3 . 1 1 105 105 ALA CA C 105 51.000 51.000 51.434 -0.434 17818 1487 1 3 . 1 1 105 105 ALA CB C 105 18.900 18.900 20.439 -1.539 17818 1488 1 3 . 1 1 105 105 ALA H H 105 7.780 7.780 7.244 0.536 17818 1489 1 3 . 1 1 106 106 TYR N N 106 122.000 122.000 117.890 4.110 17818 1490 1 3 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.330 0.280 17818 1491 1 3 . 1 1 106 106 TYR CA C 106 59.300 59.300 58.695 0.605 17818 1492 1 3 . 1 1 106 106 TYR CB C 106 37.400 37.400 37.884 -0.484 17818 1493 1 3 . 1 1 106 106 TYR H H 106 9.430 9.430 8.636 0.794 17818 1494 1 3 . 1 1 107 107 GLY N N 107 105.500 105.500 108.009 -2.509 17818 1495 1 3 . 1 1 107 107 GLY CA C 107 46.500 46.500 45.736 0.764 17818 1496 1 3 . 1 1 107 107 GLY H H 107 8.490 8.490 7.962 0.528 17818 1497 1 3 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.058 -0.548 17818 1498 1 3 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.721 -0.221 17818 1499 1 3 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.646 -0.046 17818 1500 1 3 . 1 1 109 109 ARG N N 109 115.900 115.900 118.623 -2.723 17818 1501 1 3 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.205 -0.025 17818 1502 1 3 . 1 1 109 109 ARG CA C 109 57.400 57.400 55.782 1.618 17818 1503 1 3 . 1 1 109 109 ARG CB C 109 30.700 30.700 31.878 -1.178 17818 1504 1 3 . 1 1 109 109 ARG H H 109 8.840 8.840 7.484 1.356 17818 1505 1 3 . 1 1 110 110 GLY N N 110 130.700 130.700 106.459 24.241 17818 1506 1 3 . 1 1 110 110 GLY CA C 110 44.800 44.800 44.937 -0.137 17818 1507 1 3 . 1 1 110 110 GLY H H 110 7.140 7.140 7.952 -0.812 17818 1508 1 3 . 1 1 111 111 TYR N N 111 119.700 119.700 120.406 -0.706 17818 1509 1 3 . 1 1 111 111 TYR CA C 111 54.500 54.500 59.242 -4.742 17818 1510 1 3 . 1 1 111 111 TYR CB C 111 38.600 38.600 38.602 -0.002 17818 1511 1 3 . 1 1 111 111 TYR H H 111 8.570 8.570 8.478 0.092 17818 1512 1 3 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.387 -0.587 17818 1513 1 3 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.690 2.610 17818 1514 1 3 . 1 1 114 114 VAL N N 114 122.900 122.900 116.283 6.617 17818 1515 1 3 . 1 1 114 114 VAL HA H 114 3.850 3.850 3.896 -0.046 17818 1516 1 3 . 1 1 114 114 VAL CA C 114 65.600 65.600 63.869 1.731 17818 1517 1 3 . 1 1 114 114 VAL CB C 114 33.000 33.000 32.072 0.928 17818 1518 1 3 . 1 1 114 114 VAL H H 114 7.870 7.870 7.810 0.060 17818 1519 1 3 . 1 1 115 115 ILE N N 115 118.100 118.100 120.515 -2.415 17818 1520 1 3 . 1 1 115 115 ILE CA C 115 56.300 56.300 57.002 -0.702 17818 1521 1 3 . 1 1 115 115 ILE CB C 115 37.700 37.700 37.656 0.044 17818 1522 1 3 . 1 1 115 115 ILE H H 115 7.550 7.550 7.840 -0.290 17818 1523 1 3 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.287 -0.667 17818 1524 1 3 . 1 1 117 117 PRO CA C 117 63.400 63.400 63.106 0.294 17818 1525 1 3 . 1 1 117 117 PRO CB C 117 32.800 32.800 32.272 0.528 17818 1526 1 3 . 1 1 118 118 LYS N N 118 115.100 115.100 116.629 -1.529 17818 1527 1 3 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.429 -0.849 17818 1528 1 3 . 1 1 118 118 LYS CA C 118 57.900 57.900 57.179 0.721 17818 1529 1 3 . 1 1 118 118 LYS CB C 118 29.700 29.700 29.761 -0.061 17818 1530 1 3 . 1 1 118 118 LYS H H 118 7.330 7.330 8.287 -0.957 17818 1531 1 3 . 1 1 119 119 ALA N N 119 121.900 121.900 121.208 0.692 17818 1532 1 3 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.523 -0.073 17818 1533 1 3 . 1 1 119 119 ALA CA C 119 52.700 52.700 51.668 1.032 17818 1534 1 3 . 1 1 119 119 ALA CB C 119 20.100 20.100 20.204 -0.104 17818 1535 1 3 . 1 1 119 119 ALA H H 119 7.900 7.900 7.599 0.301 17818 1536 1 3 . 1 1 120 120 THR N N 120 121.800 121.800 119.820 1.980 17818 1537 1 3 . 1 1 120 120 THR CA C 120 63.100 63.100 62.541 0.559 17818 1538 1 3 . 1 1 120 120 THR CB C 120 69.800 69.800 69.811 -0.011 17818 1539 1 3 . 1 1 120 120 THR H H 120 8.170 8.170 8.547 -0.377 17818 1540 1 3 . 1 1 121 121 LEU N N 121 124.200 124.200 128.480 -4.280 17818 1541 1 3 . 1 1 121 121 LEU CA C 121 53.100 53.100 52.730 0.370 17818 1542 1 3 . 1 1 121 121 LEU CB C 121 46.300 46.300 46.349 -0.049 17818 1543 1 3 . 1 1 121 121 LEU H H 121 8.640 8.640 9.018 -0.378 17818 1544 1 3 . 1 1 122 122 VAL N N 122 122.200 122.200 123.372 -1.172 17818 1545 1 3 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.376 0.914 17818 1546 1 3 . 1 1 122 122 VAL CA C 122 60.700 60.700 61.955 -1.255 17818 1547 1 3 . 1 1 122 122 VAL CB C 122 33.300 33.300 32.423 0.877 17818 1548 1 3 . 1 1 122 122 VAL H H 122 8.860 8.860 8.423 0.437 17818 1549 1 3 . 1 1 123 123 PHE N N 123 122.900 122.900 126.206 -3.306 17818 1550 1 3 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.331 0.069 17818 1551 1 3 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.029 -0.629 17818 1552 1 3 . 1 1 123 123 PHE CB C 123 44.000 44.000 43.124 0.876 17818 1553 1 3 . 1 1 123 123 PHE H H 123 9.620 9.620 9.476 0.144 17818 1554 1 3 . 1 1 124 124 GLU N N 124 125.500 125.500 124.170 1.330 17818 1555 1 3 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.839 1.061 17818 1556 1 3 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.159 -0.559 17818 1557 1 3 . 1 1 124 124 GLU CB C 124 31.800 31.800 30.098 1.702 17818 1558 1 3 . 1 1 124 124 GLU H H 124 9.180 9.180 8.670 0.510 17818 1559 1 3 . 1 1 125 125 VAL N N 125 128.100 128.100 120.318 7.782 17818 1560 1 3 . 1 1 125 125 VAL CA C 125 61.300 61.300 60.575 0.725 17818 1561 1 3 . 1 1 125 125 VAL CB C 125 35.800 35.800 33.351 2.449 17818 1562 1 3 . 1 1 125 125 VAL H H 125 9.600 9.600 8.925 0.675 17818 1563 1 3 . 1 1 126 126 GLU N N 126 128.500 128.500 126.790 1.710 17818 1564 1 3 . 1 1 126 126 GLU HA H 126 5.630 5.630 5.202 0.428 17818 1565 1 3 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.582 -1.082 17818 1566 1 3 . 1 1 126 126 GLU CB C 126 34.000 34.000 34.332 -0.332 17818 1567 1 3 . 1 1 126 126 GLU H H 126 9.420 9.420 8.992 0.428 17818 1568 1 3 . 1 1 127 127 LEU N N 127 127.900 127.900 128.583 -0.683 17818 1569 1 3 . 1 1 127 127 LEU CA C 127 55.100 55.100 54.145 0.955 17818 1570 1 3 . 1 1 127 127 LEU CB C 127 41.400 41.400 42.478 -1.078 17818 1571 1 3 . 1 1 127 127 LEU H H 127 8.720 8.720 8.987 -0.267 17818 1572 1 3 . 1 1 128 128 LEU N N 128 128.700 128.700 129.309 -0.609 17818 1573 1 3 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.617 -0.217 17818 1574 1 3 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.961 -0.061 17818 1575 1 3 . 1 1 128 128 LEU CB C 128 43.700 43.700 42.445 1.255 17818 1576 1 3 . 1 1 128 128 LEU H H 128 8.690 8.690 8.936 -0.246 17818 1577 1 3 . 1 1 129 129 ALA N N 129 118.600 118.600 117.470 1.130 17818 1578 1 3 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.474 -0.014 17818 1579 1 3 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.961 0.839 17818 1580 1 3 . 1 1 129 129 ALA CB C 129 21.100 21.100 21.125 -0.025 17818 1581 1 3 . 1 1 129 129 ALA H H 129 7.810 7.810 7.838 -0.028 17818 1582 1 4 . 1 1 8 8 HIS CA C 8 54.700 54.700 56.638 -1.938 17818 1583 1 4 . 1 1 8 8 HIS CB C 8 31.200 31.200 30.132 1.068 17818 1584 1 4 . 1 1 9 9 MET N N 9 120.000 120.000 120.064 -0.064 17818 1585 1 4 . 1 1 9 9 MET HA H 9 4.280 4.280 4.997 -0.717 17818 1586 1 4 . 1 1 9 9 MET CA C 9 55.500 55.500 54.694 0.806 17818 1587 1 4 . 1 1 9 9 MET CB C 9 32.500 32.500 35.035 -2.535 17818 1588 1 4 . 1 1 9 9 MET H H 9 8.110 8.110 8.434 -0.324 17818 1589 1 4 . 1 1 10 10 GLY N N 10 109.800 109.800 108.811 0.989 17818 1590 1 4 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.357 0.943 17818 1591 1 4 . 1 1 10 10 GLY H H 10 8.440 8.440 8.704 -0.264 17818 1592 1 4 . 1 1 11 11 THR N N 11 113.600 113.600 115.631 -2.031 17818 1593 1 4 . 1 1 11 11 THR HA H 11 4.330 4.330 4.355 -0.025 17818 1594 1 4 . 1 1 11 11 THR CA C 11 62.000 62.000 61.819 0.181 17818 1595 1 4 . 1 1 11 11 THR CB C 11 69.900 69.900 69.397 0.503 17818 1596 1 4 . 1 1 11 11 THR H H 11 8.070 8.070 8.254 -0.184 17818 1597 1 4 . 1 1 12 12 LEU N N 12 124.200 124.200 124.508 -0.308 17818 1598 1 4 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.117 0.203 17818 1599 1 4 . 1 1 12 12 LEU CA C 12 55.500 55.500 56.714 -1.214 17818 1600 1 4 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.641 0.459 17818 1601 1 4 . 1 1 12 12 LEU H H 12 8.380 8.380 8.596 -0.216 17818 1602 1 4 . 1 1 13 13 GLU N N 13 121.600 121.600 119.462 2.138 17818 1603 1 4 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.456 -0.256 17818 1604 1 4 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.553 1.347 17818 1605 1 4 . 1 1 13 13 GLU CB C 13 30.000 30.000 29.511 0.489 17818 1606 1 4 . 1 1 13 13 GLU H H 13 8.430 8.430 8.149 0.281 17818 1607 1 4 . 1 1 14 14 ALA N N 14 124.400 124.400 127.431 -3.031 17818 1608 1 4 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.372 -0.102 17818 1609 1 4 . 1 1 14 14 ALA CA C 14 52.700 52.700 51.791 0.909 17818 1610 1 4 . 1 1 14 14 ALA CB C 14 19.100 19.100 19.933 -0.833 17818 1611 1 4 . 1 1 14 14 ALA H H 14 8.290 8.290 8.344 -0.054 17818 1612 1 4 . 1 1 15 15 GLN N N 15 119.100 119.100 120.001 -0.901 17818 1613 1 4 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.268 0.122 17818 1614 1 4 . 1 1 15 15 GLN CA C 15 56.000 56.000 56.215 -0.215 17818 1615 1 4 . 1 1 15 15 GLN CB C 15 29.400 29.400 29.111 0.288 17818 1616 1 4 . 1 1 15 15 GLN H H 15 8.370 8.370 8.422 -0.052 17818 1617 1 4 . 1 1 16 16 THR N N 16 114.900 114.900 112.469 2.431 17818 1618 1 4 . 1 1 16 16 THR CA C 16 62.100 62.100 62.406 -0.306 17818 1619 1 4 . 1 1 16 16 THR CB C 16 69.800 69.800 69.058 0.742 17818 1620 1 4 . 1 1 16 16 THR H H 16 8.200 8.200 8.265 -0.065 17818 1621 1 4 . 1 1 17 17 GLN N N 17 122.200 122.200 120.302 1.898 17818 1622 1 4 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.501 -0.071 17818 1623 1 4 . 1 1 17 17 GLN CA C 17 55.600 55.600 55.327 0.273 17818 1624 1 4 . 1 1 17 17 GLN CB C 17 29.700 29.700 31.034 -1.334 17818 1625 1 4 . 1 1 17 17 GLN H H 17 8.420 8.420 7.685 0.735 17818 1626 1 4 . 1 1 18 18 GLY N N 18 110.100 110.100 111.922 -1.822 17818 1627 1 4 . 1 1 18 18 GLY CA C 18 44.600 44.600 45.605 -1.005 17818 1628 1 4 . 1 1 18 18 GLY H H 18 8.360 8.360 8.079 0.281 17818 1629 1 4 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.705 -0.265 17818 1630 1 4 . 1 1 19 19 PRO CA C 19 63.600 63.600 62.542 1.058 17818 1631 1 4 . 1 1 19 19 PRO CB C 19 32.000 32.000 30.782 1.218 17818 1632 1 4 . 1 1 20 20 GLY N N 20 109.400 109.400 109.623 -0.223 17818 1633 1 4 . 1 1 20 20 GLY CA C 20 45.300 45.300 44.969 0.331 17818 1634 1 4 . 1 1 20 20 GLY H H 20 8.630 8.630 7.748 0.882 17818 1635 1 4 . 1 1 21 21 SER N N 21 115.400 115.400 118.480 -3.080 17818 1636 1 4 . 1 1 21 21 SER CA C 21 63.800 63.800 56.911 6.889 17818 1637 1 4 . 1 1 21 21 SER CB C 21 69.800 69.800 64.230 5.570 17818 1638 1 4 . 1 1 21 21 SER H H 21 4.180 4.180 7.946 -3.766 17818 1639 1 4 . 1 1 22 22 MET N N 22 121.900 121.900 123.232 -1.332 17818 1640 1 4 . 1 1 22 22 MET CA C 22 55.500 55.500 56.657 -1.157 17818 1641 1 4 . 1 1 22 22 MET CB C 22 32.800 32.800 32.998 -0.198 17818 1642 1 4 . 1 1 22 22 MET H H 22 8.440 8.440 8.555 -0.115 17818 1643 1 4 . 1 1 23 23 SER N N 23 116.600 116.600 116.500 0.100 17818 1644 1 4 . 1 1 23 23 SER HA H 23 4.400 4.400 4.429 -0.029 17818 1645 1 4 . 1 1 23 23 SER CA C 23 58.300 58.300 57.406 0.894 17818 1646 1 4 . 1 1 23 23 SER CB C 23 63.700 63.700 64.460 -0.761 17818 1647 1 4 . 1 1 23 23 SER H H 23 8.290 8.290 7.455 0.835 17818 1648 1 4 . 1 1 24 24 ALA N N 24 125.700 125.700 124.682 1.018 17818 1649 1 4 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.075 0.215 17818 1650 1 4 . 1 1 24 24 ALA CA C 24 52.100 52.100 52.728 -0.628 17818 1651 1 4 . 1 1 24 24 ALA CB C 24 19.300 19.300 18.736 0.564 17818 1652 1 4 . 1 1 24 24 ALA H H 24 8.200 8.200 8.278 -0.078 17818 1653 1 4 . 1 1 25 25 GLN N N 25 118.300 118.300 123.160 -4.860 17818 1654 1 4 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.316 0.194 17818 1655 1 4 . 1 1 25 25 GLN CA C 25 54.200 54.200 55.209 -1.009 17818 1656 1 4 . 1 1 25 25 GLN CB C 25 31.300 31.300 29.990 1.310 17818 1657 1 4 . 1 1 25 25 GLN H H 25 8.280 8.280 8.300 -0.020 17818 1658 1 4 . 1 1 26 26 LEU N N 26 122.100 122.100 125.637 -3.537 17818 1659 1 4 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.422 0.038 17818 1660 1 4 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.568 0.732 17818 1661 1 4 . 1 1 26 26 LEU CB C 26 43.500 43.500 44.187 -0.687 17818 1662 1 4 . 1 1 26 26 LEU H H 26 8.480 8.480 8.382 0.098 17818 1663 1 4 . 1 1 27 27 GLU N N 27 125.300 125.300 127.367 -2.067 17818 1664 1 4 . 1 1 27 27 GLU CA C 27 55.300 55.300 55.069 0.231 17818 1665 1 4 . 1 1 27 27 GLU CB C 27 32.400 32.400 32.052 0.348 17818 1666 1 4 . 1 1 27 27 GLU H H 27 8.240 8.240 7.992 0.248 17818 1667 1 4 . 1 1 28 28 LYS N N 28 125.000 125.000 124.188 0.812 17818 1668 1 4 . 1 1 28 28 LYS HA H 28 4.610 4.610 5.296 -0.686 17818 1669 1 4 . 1 1 28 28 LYS CA C 28 54.500 54.500 54.309 0.191 17818 1670 1 4 . 1 1 28 28 LYS CB C 28 35.700 35.700 32.516 3.184 17818 1671 1 4 . 1 1 28 28 LYS H H 28 8.810 8.810 8.482 0.328 17818 1672 1 4 . 1 1 29 29 LYS N N 29 128.100 128.100 125.819 2.281 17818 1673 1 4 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.583 0.447 17818 1674 1 4 . 1 1 29 29 LYS CA C 29 55.000 55.000 55.027 -0.027 17818 1675 1 4 . 1 1 29 29 LYS CB C 29 36.200 36.200 34.782 1.418 17818 1676 1 4 . 1 1 29 29 LYS H H 29 8.850 8.850 8.742 0.108 17818 1677 1 4 . 1 1 30 30 VAL N N 30 127.200 127.200 127.284 -0.084 17818 1678 1 4 . 1 1 30 30 VAL HA H 30 3.660 3.660 3.910 -0.250 17818 1679 1 4 . 1 1 30 30 VAL CA C 30 64.800 64.800 63.570 1.230 17818 1680 1 4 . 1 1 30 30 VAL CB C 30 31.600 31.600 32.215 -0.615 17818 1681 1 4 . 1 1 30 30 VAL H H 30 9.170 9.170 8.892 0.278 17818 1682 1 4 . 1 1 31 31 LEU N N 31 129.800 129.800 130.712 -0.912 17818 1683 1 4 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.561 -0.121 17818 1684 1 4 . 1 1 31 31 LEU CA C 31 56.000 56.000 56.679 -0.679 17818 1685 1 4 . 1 1 31 31 LEU CB C 31 41.800 41.800 43.248 -1.448 17818 1686 1 4 . 1 1 31 31 LEU H H 31 9.020 9.020 8.960 0.060 17818 1687 1 4 . 1 1 32 32 THR N N 32 115.700 115.700 116.282 -0.582 17818 1688 1 4 . 1 1 32 32 THR CA C 32 59.300 59.300 59.816 -0.516 17818 1689 1 4 . 1 1 32 32 THR CB C 32 72.500 72.500 69.453 3.047 17818 1690 1 4 . 1 1 32 32 THR H H 32 8.220 8.220 8.166 0.054 17818 1691 1 4 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.436 -0.146 17818 1692 1 4 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.444 0.556 17818 1693 1 4 . 1 1 33 33 PRO CB C 33 32.400 32.400 32.383 0.017 17818 1694 1 4 . 1 1 34 34 GLY N N 34 109.400 109.400 109.676 -0.276 17818 1695 1 4 . 1 1 34 34 GLY CA C 34 44.200 44.200 43.419 0.781 17818 1696 1 4 . 1 1 34 34 GLY H H 34 9.010 9.010 8.318 0.692 17818 1697 1 4 . 1 1 35 35 ASP N N 35 119.400 119.400 119.399 0.001 17818 1698 1 4 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.405 -0.075 17818 1699 1 4 . 1 1 35 35 ASP CA C 35 54.700 54.700 55.871 -1.171 17818 1700 1 4 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.214 -1.814 17818 1701 1 4 . 1 1 35 35 ASP H H 35 8.370 8.370 8.284 0.086 17818 1702 1 4 . 1 1 36 36 GLY N N 36 107.900 107.900 107.952 -0.052 17818 1703 1 4 . 1 1 36 36 GLY CA C 36 46.000 46.000 45.605 0.396 17818 1704 1 4 . 1 1 36 36 GLY H H 36 8.750 8.750 8.571 0.179 17818 1705 1 4 . 1 1 37 37 VAL N N 37 116.200 116.200 117.002 -0.802 17818 1706 1 4 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.466 0.034 17818 1707 1 4 . 1 1 37 37 VAL CA C 37 62.500 62.500 62.118 0.382 17818 1708 1 4 . 1 1 37 37 VAL CB C 37 35.900 35.900 31.901 3.999 17818 1709 1 4 . 1 1 37 37 VAL H H 37 8.590 8.590 7.973 0.617 17818 1710 1 4 . 1 1 38 38 THR N N 38 126.400 126.400 116.864 9.536 17818 1711 1 4 . 1 1 38 38 THR HA H 38 4.210 4.210 4.372 -0.162 17818 1712 1 4 . 1 1 38 38 THR CA C 38 63.300 63.300 61.805 1.495 17818 1713 1 4 . 1 1 38 38 THR CB C 38 65.800 65.800 69.845 -4.045 17818 1714 1 4 . 1 1 38 38 THR H H 38 10.650 10.650 7.804 2.846 17818 1715 1 4 . 1 1 39 39 LYS N N 39 127.000 127.000 124.642 2.358 17818 1716 1 4 . 1 1 39 39 LYS CA C 39 53.400 53.400 53.555 -0.155 17818 1717 1 4 . 1 1 39 39 LYS CB C 39 33.200 33.200 32.547 0.653 17818 1718 1 4 . 1 1 39 39 LYS H H 39 8.390 8.390 8.334 0.056 17818 1719 1 4 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.892 -0.692 17818 1720 1 4 . 1 1 40 40 PRO CB C 40 33.300 33.300 32.448 0.852 17818 1721 1 4 . 1 1 41 41 GLN N N 41 120.900 120.900 120.507 0.393 17818 1722 1 4 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.449 0.011 17818 1723 1 4 . 1 1 41 41 GLN CA C 41 53.700 53.700 54.308 -0.608 17818 1724 1 4 . 1 1 41 41 GLN CB C 41 31.500 31.500 31.135 0.365 17818 1725 1 4 . 1 1 41 41 GLN H H 41 8.750 8.750 8.171 0.579 17818 1726 1 4 . 1 1 42 42 ALA N N 42 125.700 125.700 123.955 1.745 17818 1727 1 4 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.402 -0.622 17818 1728 1 4 . 1 1 42 42 ALA CA C 42 53.400 53.400 51.843 1.557 17818 1729 1 4 . 1 1 42 42 ALA CB C 42 17.800 17.800 19.364 -1.564 17818 1730 1 4 . 1 1 42 42 ALA H H 42 8.550 8.550 8.434 0.116 17818 1731 1 4 . 1 1 43 43 GLY N N 43 109.700 109.700 106.617 3.083 17818 1732 1 4 . 1 1 43 43 GLY CA C 43 45.200 45.200 45.043 0.157 17818 1733 1 4 . 1 1 43 43 GLY H H 43 8.970 8.970 8.638 0.332 17818 1734 1 4 . 1 1 44 44 LYS N N 44 120.300 120.300 118.020 2.280 17818 1735 1 4 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.539 0.131 17818 1736 1 4 . 1 1 44 44 LYS CA C 44 53.800 53.800 54.171 -0.371 17818 1737 1 4 . 1 1 44 44 LYS CB C 44 34.100 34.100 35.856 -1.756 17818 1738 1 4 . 1 1 44 44 LYS H H 44 7.920 7.920 7.446 0.474 17818 1739 1 4 . 1 1 45 45 LYS N N 45 120.800 120.800 123.329 -2.529 17818 1740 1 4 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.397 0.123 17818 1741 1 4 . 1 1 45 45 LYS CA C 45 56.300 56.300 55.984 0.316 17818 1742 1 4 . 1 1 45 45 LYS CB C 45 32.900 32.900 32.315 0.585 17818 1743 1 4 . 1 1 45 45 LYS H H 45 8.340 8.340 8.394 -0.054 17818 1744 1 4 . 1 1 46 46 VAL N N 46 117.600 117.600 123.844 -6.244 17818 1745 1 4 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.413 0.147 17818 1746 1 4 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.145 -0.245 17818 1747 1 4 . 1 1 46 46 VAL CB C 46 33.900 33.900 33.960 -0.060 17818 1748 1 4 . 1 1 46 46 VAL H H 46 8.560 8.560 8.753 -0.193 17818 1749 1 4 . 1 1 47 47 THR N N 47 115.600 115.600 121.131 -5.531 17818 1750 1 4 . 1 1 47 47 THR HA H 47 5.100 5.100 4.918 0.182 17818 1751 1 4 . 1 1 47 47 THR CA C 47 61.600 61.600 62.146 -0.546 17818 1752 1 4 . 1 1 47 47 THR CB C 47 69.800 69.800 68.949 0.851 17818 1753 1 4 . 1 1 47 47 THR H H 47 8.130 8.130 8.666 -0.536 17818 1754 1 4 . 1 1 48 48 VAL N N 48 118.100 118.100 122.605 -4.505 17818 1755 1 4 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.326 0.464 17818 1756 1 4 . 1 1 48 48 VAL CA C 48 58.000 58.000 59.052 -1.052 17818 1757 1 4 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.218 0.282 17818 1758 1 4 . 1 1 48 48 VAL H H 48 9.740 9.740 9.395 0.345 17818 1759 1 4 . 1 1 49 49 HIS N N 49 119.000 119.000 118.262 0.738 17818 1760 1 4 . 1 1 49 49 HIS HA H 49 5.810 5.810 4.961 0.849 17818 1761 1 4 . 1 1 49 49 HIS CA C 49 54.600 54.600 55.414 -0.814 17818 1762 1 4 . 1 1 49 49 HIS CB C 49 35.600 35.600 34.020 1.580 17818 1763 1 4 . 1 1 49 49 HIS H H 49 8.630 8.630 8.655 -0.025 17818 1764 1 4 . 1 1 50 50 TYR N N 50 116.800 116.800 120.413 -3.613 17818 1765 1 4 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.235 0.995 17818 1766 1 4 . 1 1 50 50 TYR CA C 50 56.000 56.000 55.896 0.104 17818 1767 1 4 . 1 1 50 50 TYR CB C 50 43.500 43.500 42.060 1.440 17818 1768 1 4 . 1 1 50 50 TYR H H 50 9.870 9.870 8.187 1.683 17818 1769 1 4 . 1 1 51 51 ASP N N 51 120.400 120.400 120.005 0.395 17818 1770 1 4 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.931 0.019 17818 1771 1 4 . 1 1 51 51 ASP CA C 51 54.400 54.400 53.654 0.746 17818 1772 1 4 . 1 1 51 51 ASP CB C 51 44.900 44.900 44.779 0.121 17818 1773 1 4 . 1 1 51 51 ASP H H 51 8.840 8.840 8.722 0.118 17818 1774 1 4 . 1 1 52 52 GLY N N 52 112.500 112.500 110.657 1.843 17818 1775 1 4 . 1 1 52 52 GLY CA C 52 45.300 45.300 44.977 0.323 17818 1776 1 4 . 1 1 52 52 GLY H H 52 9.130 9.130 8.747 0.383 17818 1777 1 4 . 1 1 53 53 ARG N N 53 125.200 125.200 125.066 0.134 17818 1778 1 4 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.432 0.598 17818 1779 1 4 . 1 1 53 53 ARG CA C 53 53.900 53.900 54.046 -0.146 17818 1780 1 4 . 1 1 53 53 ARG CB C 53 34.800 34.800 33.899 0.901 17818 1781 1 4 . 1 1 53 53 ARG H H 53 9.370 9.370 8.439 0.931 17818 1782 1 4 . 1 1 54 54 PHE N N 54 119.400 119.400 124.453 -5.053 17818 1783 1 4 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.913 -0.673 17818 1784 1 4 . 1 1 54 54 PHE CA C 54 57.300 57.300 55.507 1.793 17818 1785 1 4 . 1 1 54 54 PHE CB C 54 37.700 37.700 38.479 -0.779 17818 1786 1 4 . 1 1 54 54 PHE H H 54 8.770 8.770 8.861 -0.091 17818 1787 1 4 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.277 0.003 17818 1788 1 4 . 1 1 55 55 PRO CA C 55 65.700 65.700 65.099 0.601 17818 1789 1 4 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.627 0.173 17818 1790 1 4 . 1 1 56 56 ASP N N 56 113.600 113.600 114.829 -1.229 17818 1791 1 4 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.557 -0.087 17818 1792 1 4 . 1 1 56 56 ASP CA C 56 53.900 53.900 53.874 0.026 17818 1793 1 4 . 1 1 56 56 ASP CB C 56 39.800 39.800 40.756 -0.956 17818 1794 1 4 . 1 1 56 56 ASP H H 56 7.780 7.780 8.054 -0.274 17818 1795 1 4 . 1 1 57 57 GLY N N 57 108.700 108.700 109.256 -0.556 17818 1796 1 4 . 1 1 57 57 GLY CA C 57 44.900 44.900 44.743 0.157 17818 1797 1 4 . 1 1 57 57 GLY H H 57 8.440 8.440 8.258 0.182 17818 1798 1 4 . 1 1 58 58 LYS N N 58 122.800 122.800 121.957 0.843 17818 1799 1 4 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.609 -0.359 17818 1800 1 4 . 1 1 58 58 LYS CA C 58 57.500 57.500 55.621 1.879 17818 1801 1 4 . 1 1 58 58 LYS CB C 58 32.600 32.600 34.198 -1.598 17818 1802 1 4 . 1 1 58 58 LYS H H 58 8.230 8.230 8.151 0.079 17818 1803 1 4 . 1 1 59 59 GLN N N 59 125.800 125.800 120.186 5.614 17818 1804 1 4 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.041 0.409 17818 1805 1 4 . 1 1 59 59 GLN CA C 59 56.300 56.300 55.075 1.225 17818 1806 1 4 . 1 1 59 59 GLN CB C 59 30.900 30.900 30.959 -0.059 17818 1807 1 4 . 1 1 59 59 GLN H H 59 8.810 8.810 8.310 0.500 17818 1808 1 4 . 1 1 60 60 PHE N N 60 121.200 121.200 124.167 -2.967 17818 1809 1 4 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.515 0.585 17818 1810 1 4 . 1 1 60 60 PHE CA C 60 56.500 56.500 60.518 -4.018 17818 1811 1 4 . 1 1 60 60 PHE CB C 60 40.900 40.900 39.841 1.059 17818 1812 1 4 . 1 1 60 60 PHE H H 60 8.340 8.340 8.845 -0.505 17818 1813 1 4 . 1 1 61 61 ASP N N 61 119.100 119.100 118.694 0.406 17818 1814 1 4 . 1 1 61 61 ASP CA C 61 54.700 54.700 53.554 1.146 17818 1815 1 4 . 1 1 61 61 ASP CB C 61 44.200 44.200 42.994 1.206 17818 1816 1 4 . 1 1 61 61 ASP H H 61 7.030 7.030 8.321 -1.291 17818 1817 1 4 . 1 1 62 62 SER N N 62 117.400 117.400 122.197 -4.797 17818 1818 1 4 . 1 1 62 62 SER CA C 62 57.000 57.000 57.415 -0.415 17818 1819 1 4 . 1 1 62 62 SER CB C 62 64.800 64.800 63.468 1.332 17818 1820 1 4 . 1 1 62 62 SER H H 62 8.100 8.100 8.679 -0.579 17818 1821 1 4 . 1 1 63 63 SER N N 63 123.600 123.600 123.509 0.091 17818 1822 1 4 . 1 1 63 63 SER HA H 63 4.200 4.200 4.218 -0.018 17818 1823 1 4 . 1 1 63 63 SER CA C 63 61.300 61.300 61.354 -0.054 17818 1824 1 4 . 1 1 63 63 SER CB C 63 61.300 61.300 63.298 -1.998 17818 1825 1 4 . 1 1 63 63 SER H H 63 8.070 8.070 8.713 -0.643 17818 1826 1 4 . 1 1 64 64 ARG N N 64 124.000 124.000 121.079 2.921 17818 1827 1 4 . 1 1 64 64 ARG HA H 64 3.620 3.620 3.860 -0.240 17818 1828 1 4 . 1 1 64 64 ARG CA C 64 59.300 59.300 58.732 0.568 17818 1829 1 4 . 1 1 64 64 ARG CB C 64 28.800 28.800 29.261 -0.461 17818 1830 1 4 . 1 1 64 64 ARG H H 64 8.810 8.810 8.211 0.599 17818 1831 1 4 . 1 1 65 65 SER N N 65 114.600 114.600 116.506 -1.906 17818 1832 1 4 . 1 1 65 65 SER HA H 65 4.190 4.190 4.287 -0.097 17818 1833 1 4 . 1 1 65 65 SER CA C 65 60.700 60.700 60.828 -0.128 17818 1834 1 4 . 1 1 65 65 SER CB C 65 62.700 62.700 63.138 -0.438 17818 1835 1 4 . 1 1 65 65 SER H H 65 7.800 7.800 8.266 -0.466 17818 1836 1 4 . 1 1 66 66 ARG N N 66 118.000 118.000 118.324 -0.324 17818 1837 1 4 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.339 0.081 17818 1838 1 4 . 1 1 66 66 ARG CA C 66 57.100 57.100 56.123 0.977 17818 1839 1 4 . 1 1 66 66 ARG CB C 66 31.500 31.500 30.713 0.787 17818 1840 1 4 . 1 1 66 66 ARG H H 66 7.110 7.110 7.539 -0.429 17818 1841 1 4 . 1 1 67 67 GLY N N 67 106.700 106.700 107.853 -1.153 17818 1842 1 4 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.839 -0.039 17818 1843 1 4 . 1 1 67 67 GLY H H 67 7.800 7.800 7.786 0.014 17818 1844 1 4 . 1 1 68 68 LYS N N 68 117.600 117.600 121.450 -3.850 17818 1845 1 4 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.710 0.300 17818 1846 1 4 . 1 1 68 68 LYS CA C 68 53.100 53.100 54.194 -1.094 17818 1847 1 4 . 1 1 68 68 LYS CB C 68 34.900 34.900 33.444 1.456 17818 1848 1 4 . 1 1 68 68 LYS H H 68 7.440 7.440 7.784 -0.344 17818 1849 1 4 . 1 1 69 69 PRO HA H 69 4.060 4.060 4.877 -0.817 17818 1850 1 4 . 1 1 69 69 PRO CA C 69 62.700 62.700 62.369 0.331 17818 1851 1 4 . 1 1 69 69 PRO CB C 69 32.300 32.300 32.928 -0.629 17818 1852 1 4 . 1 1 70 70 PHE N N 70 123.200 123.200 121.346 1.854 17818 1853 1 4 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.911 0.129 17818 1854 1 4 . 1 1 70 70 PHE CA C 70 57.100 57.100 56.910 0.189 17818 1855 1 4 . 1 1 70 70 PHE CB C 70 42.900 42.900 42.379 0.521 17818 1856 1 4 . 1 1 70 70 PHE H H 70 9.180 9.180 9.235 -0.055 17818 1857 1 4 . 1 1 71 71 GLN N N 71 126.000 126.000 126.920 -0.920 17818 1858 1 4 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.430 0.320 17818 1859 1 4 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.401 -1.101 17818 1860 1 4 . 1 1 71 71 GLN CB C 71 32.900 32.900 32.071 0.829 17818 1861 1 4 . 1 1 71 71 GLN H H 71 8.020 8.020 8.183 -0.163 17818 1862 1 4 . 1 1 72 72 PHE N N 72 116.800 116.800 119.195 -2.395 17818 1863 1 4 . 1 1 72 72 PHE HA H 72 4.700 4.700 4.821 -0.121 17818 1864 1 4 . 1 1 72 72 PHE CA C 72 55.500 55.500 56.198 -0.698 17818 1865 1 4 . 1 1 72 72 PHE CB C 72 40.900 40.900 40.512 0.388 17818 1866 1 4 . 1 1 72 72 PHE H H 72 8.110 8.110 8.777 -0.667 17818 1867 1 4 . 1 1 73 73 THR N N 73 118.800 118.800 117.691 1.109 17818 1868 1 4 . 1 1 73 73 THR HA H 73 3.960 3.960 4.404 -0.444 17818 1869 1 4 . 1 1 73 73 THR CA C 73 62.600 62.600 63.092 -0.492 17818 1870 1 4 . 1 1 73 73 THR CB C 73 67.500 67.500 68.361 -0.861 17818 1871 1 4 . 1 1 73 73 THR H H 73 9.080 9.080 8.661 0.419 17818 1872 1 4 . 1 1 74 74 LEU N N 74 132.500 132.500 129.369 3.131 17818 1873 1 4 . 1 1 74 74 LEU HA H 74 4.140 4.140 4.107 0.033 17818 1874 1 4 . 1 1 74 74 LEU CA C 74 56.800 56.800 55.510 1.290 17818 1875 1 4 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.948 -0.148 17818 1876 1 4 . 1 1 74 74 LEU H H 74 8.220 8.220 8.386 -0.166 17818 1877 1 4 . 1 1 75 75 GLY N N 75 118.100 118.100 114.508 3.592 17818 1878 1 4 . 1 1 75 75 GLY CA C 75 46.200 46.200 44.497 1.703 17818 1879 1 4 . 1 1 75 75 GLY H H 75 9.850 9.850 8.426 1.424 17818 1880 1 4 . 1 1 76 76 ALA N N 76 120.600 120.600 124.483 -3.883 17818 1881 1 4 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.541 -0.041 17818 1882 1 4 . 1 1 76 76 ALA CA C 76 51.900 51.900 51.940 -0.040 17818 1883 1 4 . 1 1 76 76 ALA CB C 76 20.200 20.200 19.952 0.248 17818 1884 1 4 . 1 1 76 76 ALA H H 76 7.550 7.550 7.945 -0.395 17818 1885 1 4 . 1 1 77 77 GLY N N 77 110.500 110.500 110.526 -0.026 17818 1886 1 4 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.623 0.777 17818 1887 1 4 . 1 1 77 77 GLY H H 77 8.790 8.790 8.816 -0.026 17818 1888 1 4 . 1 1 78 78 GLU N N 78 119.400 119.400 120.526 -1.126 17818 1889 1 4 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.314 -0.164 17818 1890 1 4 . 1 1 78 78 GLU CA C 78 57.200 57.200 57.164 0.036 17818 1891 1 4 . 1 1 78 78 GLU CB C 78 30.900 30.900 30.263 0.637 17818 1892 1 4 . 1 1 78 78 GLU H H 78 9.240 9.240 8.258 0.982 17818 1893 1 4 . 1 1 79 79 VAL N N 79 108.600 108.600 115.767 -7.167 17818 1894 1 4 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.476 -0.256 17818 1895 1 4 . 1 1 79 79 VAL CA C 79 57.300 57.300 60.766 -3.466 17818 1896 1 4 . 1 1 79 79 VAL CB C 79 35.400 35.400 33.353 2.047 17818 1897 1 4 . 1 1 79 79 VAL H H 79 6.760 6.760 7.446 -0.686 17818 1898 1 4 . 1 1 80 80 ILE N N 80 111.800 111.800 115.529 -3.729 17818 1899 1 4 . 1 1 80 80 ILE HA H 80 3.800 3.800 4.210 -0.410 17818 1900 1 4 . 1 1 80 80 ILE CA C 80 61.800 61.800 61.251 0.549 17818 1901 1 4 . 1 1 80 80 ILE CB C 80 38.000 38.000 39.096 -1.096 17818 1902 1 4 . 1 1 80 80 ILE H H 80 7.300 7.300 7.978 -0.678 17818 1903 1 4 . 1 1 81 81 LYS N N 81 124.700 124.700 122.996 1.704 17818 1904 1 4 . 1 1 81 81 LYS HA H 81 4.160 4.160 4.036 0.124 17818 1905 1 4 . 1 1 81 81 LYS CA C 81 59.700 59.700 58.641 1.059 17818 1906 1 4 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.230 1.570 17818 1907 1 4 . 1 1 81 81 LYS H H 81 8.880 8.880 8.929 -0.049 17818 1908 1 4 . 1 1 82 82 GLY N N 82 101.700 101.700 107.175 -5.475 17818 1909 1 4 . 1 1 82 82 GLY CA C 82 47.300 47.300 46.974 0.327 17818 1910 1 4 . 1 1 82 82 GLY H H 82 9.580 9.580 8.574 1.006 17818 1911 1 4 . 1 1 83 83 TRP N N 83 119.300 119.300 121.665 -2.365 17818 1912 1 4 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.538 -0.528 17818 1913 1 4 . 1 1 83 83 TRP CA C 83 59.300 59.300 56.960 2.340 17818 1914 1 4 . 1 1 83 83 TRP CB C 83 29.100 29.100 29.054 0.046 17818 1915 1 4 . 1 1 83 83 TRP H H 83 7.450 7.450 7.363 0.087 17818 1916 1 4 . 1 1 84 84 ASP N N 84 120.900 120.900 121.217 -0.317 17818 1917 1 4 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.329 -0.329 17818 1918 1 4 . 1 1 84 84 ASP CA C 84 58.200 58.200 58.359 -0.159 17818 1919 1 4 . 1 1 84 84 ASP CB C 84 41.000 41.000 40.902 0.098 17818 1920 1 4 . 1 1 84 84 ASP H H 84 7.120 7.120 8.618 -1.498 17818 1921 1 4 . 1 1 85 85 GLN N N 85 114.500 114.500 118.588 -4.088 17818 1922 1 4 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.115 -0.115 17818 1923 1 4 . 1 1 85 85 GLN CA C 85 58.200 58.200 58.095 0.105 17818 1924 1 4 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.754 0.146 17818 1925 1 4 . 1 1 85 85 GLN H H 85 8.360 8.360 8.220 0.140 17818 1926 1 4 . 1 1 86 86 GLY N N 86 106.300 106.300 108.455 -2.155 17818 1927 1 4 . 1 1 86 86 GLY CA C 86 47.700 47.700 46.889 0.812 17818 1928 1 4 . 1 1 86 86 GLY H H 86 7.960 7.960 7.935 0.025 17818 1929 1 4 . 1 1 87 87 VAL N N 87 125.300 125.300 121.816 3.484 17818 1930 1 4 . 1 1 87 87 VAL HA H 87 3.630 3.630 3.843 -0.213 17818 1931 1 4 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.476 1.924 17818 1932 1 4 . 1 1 87 87 VAL CB C 87 30.300 30.300 31.400 -1.100 17818 1933 1 4 . 1 1 87 87 VAL H H 87 9.090 9.090 8.145 0.945 17818 1934 1 4 . 1 1 88 88 ALA N N 88 116.500 116.500 122.508 -6.008 17818 1935 1 4 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.118 -0.128 17818 1936 1 4 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.735 -0.435 17818 1937 1 4 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.680 -0.080 17818 1938 1 4 . 1 1 88 88 ALA H H 88 6.750 6.750 7.969 -1.219 17818 1939 1 4 . 1 1 89 89 THR N N 89 105.500 105.500 111.475 -5.975 17818 1940 1 4 . 1 1 89 89 THR HA H 89 4.520 4.520 4.416 0.104 17818 1941 1 4 . 1 1 89 89 THR CA C 89 62.300 62.300 62.684 -0.384 17818 1942 1 4 . 1 1 89 89 THR CB C 89 71.100 71.100 69.499 1.601 17818 1943 1 4 . 1 1 89 89 THR H H 89 7.400 7.400 8.077 -0.677 17818 1944 1 4 . 1 1 90 90 MET N N 90 122.400 122.400 118.073 4.327 17818 1945 1 4 . 1 1 90 90 MET CA C 90 56.200 56.200 54.796 1.404 17818 1946 1 4 . 1 1 90 90 MET CB C 90 36.800 36.800 35.650 1.151 17818 1947 1 4 . 1 1 90 90 MET H H 90 7.550 7.550 7.253 0.297 17818 1948 1 4 . 1 1 91 91 THR N N 91 105.200 105.200 108.291 -3.091 17818 1949 1 4 . 1 1 91 91 THR HA H 91 5.120 5.120 4.540 0.580 17818 1950 1 4 . 1 1 91 91 THR CA C 91 59.800 59.800 59.833 -0.033 17818 1951 1 4 . 1 1 91 91 THR CB C 91 71.900 71.900 72.153 -0.254 17818 1952 1 4 . 1 1 91 91 THR H H 91 7.350 7.350 8.072 -0.722 17818 1953 1 4 . 1 1 92 92 LEU N N 92 121.200 121.200 122.452 -1.252 17818 1954 1 4 . 1 1 92 92 LEU HA H 92 3.600 3.600 3.889 -0.289 17818 1955 1 4 . 1 1 92 92 LEU CA C 92 58.100 58.100 55.905 2.195 17818 1956 1 4 . 1 1 92 92 LEU CB C 92 43.400 43.400 41.859 1.541 17818 1957 1 4 . 1 1 92 92 LEU H H 92 8.180 8.180 8.325 -0.145 17818 1958 1 4 . 1 1 93 93 GLY N N 93 115.800 115.800 114.518 1.282 17818 1959 1 4 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.404 -0.703 17818 1960 1 4 . 1 1 93 93 GLY H H 93 8.490 8.490 8.995 -0.505 17818 1961 1 4 . 1 1 94 94 GLU N N 94 123.700 123.700 120.088 3.612 17818 1962 1 4 . 1 1 94 94 GLU HA H 94 4.290 4.290 4.989 -0.699 17818 1963 1 4 . 1 1 94 94 GLU CA C 94 56.100 56.100 54.230 1.870 17818 1964 1 4 . 1 1 94 94 GLU CB C 94 33.500 33.500 33.409 0.091 17818 1965 1 4 . 1 1 94 94 GLU H H 94 8.650 8.650 7.701 0.949 17818 1966 1 4 . 1 1 95 95 LYS N N 95 124.200 124.200 128.650 -4.450 17818 1967 1 4 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.356 0.204 17818 1968 1 4 . 1 1 95 95 LYS CA C 95 54.600 54.600 54.837 -0.237 17818 1969 1 4 . 1 1 95 95 LYS CB C 95 35.300 35.300 35.232 0.068 17818 1970 1 4 . 1 1 95 95 LYS H H 95 8.950 8.950 8.671 0.279 17818 1971 1 4 . 1 1 96 96 ALA N N 96 129.100 129.100 129.614 -0.514 17818 1972 1 4 . 1 1 96 96 ALA HA H 96 4.990 4.990 4.916 0.074 17818 1973 1 4 . 1 1 96 96 ALA CA C 96 50.500 50.500 49.900 0.600 17818 1974 1 4 . 1 1 96 96 ALA CB C 96 23.900 23.900 22.652 1.248 17818 1975 1 4 . 1 1 96 96 ALA H H 96 9.530 9.530 9.253 0.277 17818 1976 1 4 . 1 1 97 97 LEU N N 97 122.200 122.200 123.224 -1.024 17818 1977 1 4 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.704 0.476 17818 1978 1 4 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.189 -1.189 17818 1979 1 4 . 1 1 97 97 LEU CB C 97 45.800 45.800 42.801 2.999 17818 1980 1 4 . 1 1 97 97 LEU H H 97 9.100 9.100 8.609 0.491 17818 1981 1 4 . 1 1 98 98 PHE N N 98 125.800 125.800 129.738 -3.938 17818 1982 1 4 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.396 0.304 17818 1983 1 4 . 1 1 98 98 PHE CA C 98 56.500 56.500 55.763 0.737 17818 1984 1 4 . 1 1 98 98 PHE CB C 98 42.300 42.300 43.514 -1.214 17818 1985 1 4 . 1 1 98 98 PHE H H 98 9.940 9.940 9.384 0.556 17818 1986 1 4 . 1 1 99 99 THR N N 99 121.600 121.600 124.676 -3.076 17818 1987 1 4 . 1 1 99 99 THR CA C 99 63.500 63.500 62.874 0.626 17818 1988 1 4 . 1 1 99 99 THR CB C 99 68.600 68.600 68.870 -0.270 17818 1989 1 4 . 1 1 99 99 THR H H 99 9.100 9.100 8.421 0.679 17818 1990 1 4 . 1 1 100 100 ILE N N 100 127.400 127.400 129.307 -1.907 17818 1991 1 4 . 1 1 100 100 ILE CA C 100 58.700 58.700 57.143 1.557 17818 1992 1 4 . 1 1 100 100 ILE CB C 100 39.400 39.400 38.346 1.054 17818 1993 1 4 . 1 1 100 100 ILE H H 100 9.880 9.880 9.170 0.710 17818 1994 1 4 . 1 1 101 101 PRO CA C 101 62.200 62.200 62.173 0.027 17818 1995 1 4 . 1 1 101 101 PRO CB C 101 32.500 32.500 31.641 0.859 17818 1996 1 4 . 1 1 102 102 TYR N N 102 118.100 118.100 123.085 -4.985 17818 1997 1 4 . 1 1 102 102 TYR HA H 102 4.470 4.470 4.047 0.423 17818 1998 1 4 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.960 0.140 17818 1999 1 4 . 1 1 102 102 TYR CB C 102 37.000 37.000 37.315 -0.315 17818 2000 1 4 . 1 1 102 102 TYR H H 102 8.450 8.450 8.231 0.219 17818 2001 1 4 . 1 1 103 103 GLN N N 103 123.800 123.800 117.615 6.185 17818 2002 1 4 . 1 1 103 103 GLN HA H 103 4.050 4.050 3.943 0.107 17818 2003 1 4 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.925 1.575 17818 2004 1 4 . 1 1 103 103 GLN CB C 103 27.300 27.300 28.146 -0.846 17818 2005 1 4 . 1 1 103 103 GLN H H 103 9.080 9.080 7.758 1.322 17818 2006 1 4 . 1 1 104 104 LEU N N 104 116.800 116.800 115.805 0.995 17818 2007 1 4 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.351 0.169 17818 2008 1 4 . 1 1 104 104 LEU CA C 104 53.100 53.100 54.189 -1.089 17818 2009 1 4 . 1 1 104 104 LEU CB C 104 43.400 43.400 41.779 1.621 17818 2010 1 4 . 1 1 104 104 LEU H H 104 7.790 7.790 7.477 0.313 17818 2011 1 4 . 1 1 105 105 ALA N N 105 125.400 125.400 119.937 5.463 17818 2012 1 4 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.472 -0.002 17818 2013 1 4 . 1 1 105 105 ALA CA C 105 51.000 51.000 51.541 -0.541 17818 2014 1 4 . 1 1 105 105 ALA CB C 105 18.900 18.900 20.190 -1.290 17818 2015 1 4 . 1 1 105 105 ALA H H 105 7.780 7.780 7.235 0.545 17818 2016 1 4 . 1 1 106 106 TYR N N 106 122.000 122.000 116.957 5.043 17818 2017 1 4 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.441 0.169 17818 2018 1 4 . 1 1 106 106 TYR CA C 106 59.300 59.300 58.151 1.149 17818 2019 1 4 . 1 1 106 106 TYR CB C 106 37.400 37.400 37.812 -0.412 17818 2020 1 4 . 1 1 106 106 TYR H H 106 9.430 9.430 8.243 1.187 17818 2021 1 4 . 1 1 107 107 GLY N N 107 105.500 105.500 109.038 -3.538 17818 2022 1 4 . 1 1 107 107 GLY CA C 107 46.500 46.500 46.099 0.401 17818 2023 1 4 . 1 1 107 107 GLY H H 107 8.490 8.490 8.186 0.304 17818 2024 1 4 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.140 -0.630 17818 2025 1 4 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.666 -0.166 17818 2026 1 4 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.663 -0.063 17818 2027 1 4 . 1 1 109 109 ARG N N 109 115.900 115.900 119.265 -3.365 17818 2028 1 4 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.000 0.180 17818 2029 1 4 . 1 1 109 109 ARG CA C 109 57.400 57.400 57.231 0.169 17818 2030 1 4 . 1 1 109 109 ARG CB C 109 30.700 30.700 30.828 -0.128 17818 2031 1 4 . 1 1 109 109 ARG H H 109 8.840 8.840 7.596 1.244 17818 2032 1 4 . 1 1 110 110 GLY N N 110 130.700 130.700 105.715 24.985 17818 2033 1 4 . 1 1 110 110 GLY CA C 110 44.800 44.800 45.316 -0.515 17818 2034 1 4 . 1 1 110 110 GLY H H 110 7.140 7.140 7.764 -0.624 17818 2035 1 4 . 1 1 111 111 TYR N N 111 119.700 119.700 119.960 -0.260 17818 2036 1 4 . 1 1 111 111 TYR CA C 111 54.500 54.500 59.067 -4.567 17818 2037 1 4 . 1 1 111 111 TYR CB C 111 38.600 38.600 38.846 -0.246 17818 2038 1 4 . 1 1 111 111 TYR H H 111 8.570 8.570 8.731 -0.161 17818 2039 1 4 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.790 -0.990 17818 2040 1 4 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.660 2.640 17818 2041 1 4 . 1 1 114 114 VAL N N 114 122.900 122.900 117.143 5.757 17818 2042 1 4 . 1 1 114 114 VAL HA H 114 3.850 3.850 3.813 0.037 17818 2043 1 4 . 1 1 114 114 VAL CA C 114 65.600 65.600 64.462 1.138 17818 2044 1 4 . 1 1 114 114 VAL CB C 114 33.000 33.000 31.992 1.008 17818 2045 1 4 . 1 1 114 114 VAL H H 114 7.870 7.870 7.911 -0.041 17818 2046 1 4 . 1 1 115 115 ILE N N 115 118.100 118.100 119.500 -1.400 17818 2047 1 4 . 1 1 115 115 ILE CA C 115 56.300 56.300 57.129 -0.829 17818 2048 1 4 . 1 1 115 115 ILE CB C 115 37.700 37.700 37.970 -0.270 17818 2049 1 4 . 1 1 115 115 ILE H H 115 7.550 7.550 7.635 -0.085 17818 2050 1 4 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.082 -0.462 17818 2051 1 4 . 1 1 117 117 PRO CA C 117 63.400 63.400 63.076 0.324 17818 2052 1 4 . 1 1 117 117 PRO CB C 117 32.800 32.800 32.542 0.258 17818 2053 1 4 . 1 1 118 118 LYS N N 118 115.100 115.100 115.392 -0.292 17818 2054 1 4 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.538 -0.958 17818 2055 1 4 . 1 1 118 118 LYS CA C 118 57.900 57.900 56.877 1.023 17818 2056 1 4 . 1 1 118 118 LYS CB C 118 29.700 29.700 30.330 -0.630 17818 2057 1 4 . 1 1 118 118 LYS H H 118 7.330 7.330 8.265 -0.935 17818 2058 1 4 . 1 1 119 119 ALA N N 119 121.900 121.900 121.538 0.362 17818 2059 1 4 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.629 -0.179 17818 2060 1 4 . 1 1 119 119 ALA CA C 119 52.700 52.700 50.972 1.728 17818 2061 1 4 . 1 1 119 119 ALA CB C 119 20.100 20.100 21.560 -1.460 17818 2062 1 4 . 1 1 119 119 ALA H H 119 7.900 7.900 8.047 -0.147 17818 2063 1 4 . 1 1 120 120 THR N N 120 121.800 121.800 119.067 2.733 17818 2064 1 4 . 1 1 120 120 THR CA C 120 63.100 63.100 62.874 0.226 17818 2065 1 4 . 1 1 120 120 THR CB C 120 69.800 69.800 69.329 0.471 17818 2066 1 4 . 1 1 120 120 THR H H 120 8.170 8.170 8.472 -0.302 17818 2067 1 4 . 1 1 121 121 LEU N N 121 124.200 124.200 128.123 -3.923 17818 2068 1 4 . 1 1 121 121 LEU CA C 121 53.100 53.100 52.740 0.359 17818 2069 1 4 . 1 1 121 121 LEU CB C 121 46.300 46.300 46.023 0.278 17818 2070 1 4 . 1 1 121 121 LEU H H 121 8.640 8.640 9.044 -0.404 17818 2071 1 4 . 1 1 122 122 VAL N N 122 122.200 122.200 124.322 -2.122 17818 2072 1 4 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.512 0.778 17818 2073 1 4 . 1 1 122 122 VAL CA C 122 60.700 60.700 61.560 -0.860 17818 2074 1 4 . 1 1 122 122 VAL CB C 122 33.300 33.300 31.553 1.747 17818 2075 1 4 . 1 1 122 122 VAL H H 122 8.860 8.860 8.645 0.215 17818 2076 1 4 . 1 1 123 123 PHE N N 123 122.900 122.900 127.800 -4.900 17818 2077 1 4 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.149 0.251 17818 2078 1 4 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.378 -0.978 17818 2079 1 4 . 1 1 123 123 PHE CB C 123 44.000 44.000 41.035 2.965 17818 2080 1 4 . 1 1 123 123 PHE H H 123 9.620 9.620 9.516 0.104 17818 2081 1 4 . 1 1 124 124 GLU N N 124 125.500 125.500 125.747 -0.247 17818 2082 1 4 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.830 1.070 17818 2083 1 4 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.612 -1.012 17818 2084 1 4 . 1 1 124 124 GLU CB C 124 31.800 31.800 29.785 2.015 17818 2085 1 4 . 1 1 124 124 GLU H H 124 9.180 9.180 8.833 0.347 17818 2086 1 4 . 1 1 125 125 VAL N N 125 128.100 128.100 121.337 6.763 17818 2087 1 4 . 1 1 125 125 VAL CA C 125 61.300 61.300 59.893 1.407 17818 2088 1 4 . 1 1 125 125 VAL CB C 125 35.800 35.800 34.096 1.704 17818 2089 1 4 . 1 1 125 125 VAL H H 125 9.600 9.600 9.066 0.534 17818 2090 1 4 . 1 1 126 126 GLU N N 126 128.500 128.500 124.083 4.417 17818 2091 1 4 . 1 1 126 126 GLU HA H 126 5.630 5.630 5.231 0.399 17818 2092 1 4 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.545 -1.045 17818 2093 1 4 . 1 1 126 126 GLU CB C 126 34.000 34.000 34.352 -0.352 17818 2094 1 4 . 1 1 126 126 GLU H H 126 9.420 9.420 8.684 0.736 17818 2095 1 4 . 1 1 127 127 LEU N N 127 127.900 127.900 128.042 -0.142 17818 2096 1 4 . 1 1 127 127 LEU CA C 127 55.100 55.100 53.741 1.359 17818 2097 1 4 . 1 1 127 127 LEU CB C 127 41.400 41.400 42.872 -1.472 17818 2098 1 4 . 1 1 127 127 LEU H H 127 8.720 8.720 8.887 -0.168 17818 2099 1 4 . 1 1 128 128 LEU N N 128 128.700 128.700 129.156 -0.456 17818 2100 1 4 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.404 -0.004 17818 2101 1 4 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.068 0.832 17818 2102 1 4 . 1 1 128 128 LEU CB C 128 43.700 43.700 42.307 1.393 17818 2103 1 4 . 1 1 128 128 LEU H H 128 8.690 8.690 8.912 -0.222 17818 2104 1 4 . 1 1 129 129 ALA N N 129 118.600 118.600 118.983 -0.383 17818 2105 1 4 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.655 -0.195 17818 2106 1 4 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.545 1.255 17818 2107 1 4 . 1 1 129 129 ALA CB C 129 21.100 21.100 22.461 -1.361 17818 2108 1 4 . 1 1 129 129 ALA H H 129 7.810 7.810 7.941 -0.131 17818 2109 1 5 . 1 1 8 8 HIS CA C 8 54.700 54.700 55.993 -1.293 17818 2110 1 5 . 1 1 8 8 HIS CB C 8 31.200 31.200 28.639 2.561 17818 2111 1 5 . 1 1 9 9 MET N N 9 120.000 120.000 122.343 -2.343 17818 2112 1 5 . 1 1 9 9 MET HA H 9 4.280 4.280 4.505 -0.225 17818 2113 1 5 . 1 1 9 9 MET CA C 9 55.500 55.500 54.728 0.772 17818 2114 1 5 . 1 1 9 9 MET CB C 9 32.500 32.500 33.185 -0.685 17818 2115 1 5 . 1 1 9 9 MET H H 9 8.110 8.110 7.691 0.419 17818 2116 1 5 . 1 1 10 10 GLY N N 10 109.800 109.800 109.249 0.551 17818 2117 1 5 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.024 1.276 17818 2118 1 5 . 1 1 10 10 GLY H H 10 8.440 8.440 7.397 1.043 17818 2119 1 5 . 1 1 11 11 THR N N 11 113.600 113.600 113.680 -0.080 17818 2120 1 5 . 1 1 11 11 THR HA H 11 4.330 4.330 4.329 0.001 17818 2121 1 5 . 1 1 11 11 THR CA C 11 62.000 62.000 61.750 0.250 17818 2122 1 5 . 1 1 11 11 THR CB C 11 69.900 69.900 69.429 0.471 17818 2123 1 5 . 1 1 11 11 THR H H 11 8.070 8.070 7.987 0.083 17818 2124 1 5 . 1 1 12 12 LEU N N 12 124.200 124.200 116.679 7.521 17818 2125 1 5 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.883 -0.563 17818 2126 1 5 . 1 1 12 12 LEU CA C 12 55.500 55.500 54.858 0.641 17818 2127 1 5 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.804 -0.704 17818 2128 1 5 . 1 1 12 12 LEU H H 12 8.380 8.380 8.474 -0.094 17818 2129 1 5 . 1 1 13 13 GLU N N 13 121.600 121.600 121.621 -0.021 17818 2130 1 5 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.474 -0.274 17818 2131 1 5 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.555 1.345 17818 2132 1 5 . 1 1 13 13 GLU CB C 13 30.000 30.000 30.810 -0.810 17818 2133 1 5 . 1 1 13 13 GLU H H 13 8.430 8.430 7.842 0.588 17818 2134 1 5 . 1 1 14 14 ALA N N 14 124.400 124.400 121.496 2.904 17818 2135 1 5 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.037 0.233 17818 2136 1 5 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.796 -0.096 17818 2137 1 5 . 1 1 14 14 ALA CB C 14 19.100 19.100 18.070 1.030 17818 2138 1 5 . 1 1 14 14 ALA H H 14 8.290 8.290 8.552 -0.262 17818 2139 1 5 . 1 1 15 15 GLN N N 15 119.100 119.100 117.669 1.431 17818 2140 1 5 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.103 0.287 17818 2141 1 5 . 1 1 15 15 GLN CA C 15 56.000 56.000 56.832 -0.832 17818 2142 1 5 . 1 1 15 15 GLN CB C 15 29.400 29.400 28.609 0.791 17818 2143 1 5 . 1 1 15 15 GLN H H 15 8.370 8.370 8.540 -0.170 17818 2144 1 5 . 1 1 16 16 THR N N 16 114.900 114.900 116.721 -1.821 17818 2145 1 5 . 1 1 16 16 THR CA C 16 62.100 62.100 63.185 -1.085 17818 2146 1 5 . 1 1 16 16 THR CB C 16 69.800 69.800 68.028 1.772 17818 2147 1 5 . 1 1 16 16 THR H H 16 8.200 8.200 7.962 0.238 17818 2148 1 5 . 1 1 17 17 GLN N N 17 122.200 122.200 122.936 -0.736 17818 2149 1 5 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.191 0.239 17818 2150 1 5 . 1 1 17 17 GLN CA C 17 55.600 55.600 56.100 -0.500 17818 2151 1 5 . 1 1 17 17 GLN CB C 17 29.700 29.700 28.979 0.721 17818 2152 1 5 . 1 1 17 17 GLN H H 17 8.420 8.420 8.344 0.076 17818 2153 1 5 . 1 1 18 18 GLY N N 18 110.100 110.100 108.807 1.293 17818 2154 1 5 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.434 0.167 17818 2155 1 5 . 1 1 18 18 GLY H H 18 8.360 8.360 7.824 0.536 17818 2156 1 5 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.541 -0.101 17818 2157 1 5 . 1 1 19 19 PRO CA C 19 63.600 63.600 62.730 0.869 17818 2158 1 5 . 1 1 19 19 PRO CB C 19 32.000 32.000 32.342 -0.342 17818 2159 1 5 . 1 1 20 20 GLY N N 20 109.400 109.400 110.246 -0.846 17818 2160 1 5 . 1 1 20 20 GLY CA C 20 45.300 45.300 45.075 0.225 17818 2161 1 5 . 1 1 20 20 GLY H H 20 8.630 8.630 8.453 0.177 17818 2162 1 5 . 1 1 21 21 SER N N 21 115.400 115.400 114.201 1.199 17818 2163 1 5 . 1 1 21 21 SER CA C 21 63.800 63.800 57.539 6.261 17818 2164 1 5 . 1 1 21 21 SER CB C 21 69.800 69.800 65.095 4.705 17818 2165 1 5 . 1 1 21 21 SER H H 21 4.180 4.180 7.492 -3.312 17818 2166 1 5 . 1 1 22 22 MET N N 22 121.900 121.900 119.487 2.413 17818 2167 1 5 . 1 1 22 22 MET CA C 22 55.500 55.500 55.494 0.006 17818 2168 1 5 . 1 1 22 22 MET CB C 22 32.800 32.800 31.733 1.067 17818 2169 1 5 . 1 1 22 22 MET H H 22 8.440 8.440 8.453 -0.013 17818 2170 1 5 . 1 1 23 23 SER N N 23 116.600 116.600 116.244 0.356 17818 2171 1 5 . 1 1 23 23 SER HA H 23 4.400 4.400 4.405 -0.005 17818 2172 1 5 . 1 1 23 23 SER CA C 23 58.300 58.300 58.945 -0.645 17818 2173 1 5 . 1 1 23 23 SER CB C 23 63.700 63.700 62.131 1.569 17818 2174 1 5 . 1 1 23 23 SER H H 23 8.290 8.290 8.478 -0.188 17818 2175 1 5 . 1 1 24 24 ALA N N 24 125.700 125.700 122.861 2.839 17818 2176 1 5 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.659 -0.369 17818 2177 1 5 . 1 1 24 24 ALA CA C 24 52.100 52.100 52.039 0.061 17818 2178 1 5 . 1 1 24 24 ALA CB C 24 19.300 19.300 20.320 -1.020 17818 2179 1 5 . 1 1 24 24 ALA H H 24 8.200 8.200 7.674 0.526 17818 2180 1 5 . 1 1 25 25 GLN N N 25 118.300 118.300 121.854 -3.554 17818 2181 1 5 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.601 -0.091 17818 2182 1 5 . 1 1 25 25 GLN CA C 25 54.200 54.200 55.131 -0.931 17818 2183 1 5 . 1 1 25 25 GLN CB C 25 31.300 31.300 31.642 -0.342 17818 2184 1 5 . 1 1 25 25 GLN H H 25 8.280 8.280 8.458 -0.178 17818 2185 1 5 . 1 1 26 26 LEU N N 26 122.100 122.100 124.437 -2.337 17818 2186 1 5 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.682 -0.222 17818 2187 1 5 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.418 0.882 17818 2188 1 5 . 1 1 26 26 LEU CB C 26 43.500 43.500 43.478 0.022 17818 2189 1 5 . 1 1 26 26 LEU H H 26 8.480 8.480 8.409 0.071 17818 2190 1 5 . 1 1 27 27 GLU N N 27 125.300 125.300 124.827 0.473 17818 2191 1 5 . 1 1 27 27 GLU CA C 27 55.300 55.300 54.793 0.507 17818 2192 1 5 . 1 1 27 27 GLU CB C 27 32.400 32.400 33.058 -0.658 17818 2193 1 5 . 1 1 27 27 GLU H H 27 8.240 8.240 7.465 0.775 17818 2194 1 5 . 1 1 28 28 LYS N N 28 125.000 125.000 121.584 3.416 17818 2195 1 5 . 1 1 28 28 LYS HA H 28 4.610 4.610 5.056 -0.446 17818 2196 1 5 . 1 1 28 28 LYS CA C 28 54.500 54.500 55.014 -0.514 17818 2197 1 5 . 1 1 28 28 LYS CB C 28 35.700 35.700 33.218 2.482 17818 2198 1 5 . 1 1 28 28 LYS H H 28 8.810 8.810 8.479 0.331 17818 2199 1 5 . 1 1 29 29 LYS N N 29 128.100 128.100 126.332 1.768 17818 2200 1 5 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.546 0.484 17818 2201 1 5 . 1 1 29 29 LYS CA C 29 55.000 55.000 55.030 -0.030 17818 2202 1 5 . 1 1 29 29 LYS CB C 29 36.200 36.200 34.158 2.042 17818 2203 1 5 . 1 1 29 29 LYS H H 29 8.850 8.850 8.832 0.018 17818 2204 1 5 . 1 1 30 30 VAL N N 30 127.200 127.200 128.188 -0.988 17818 2205 1 5 . 1 1 30 30 VAL HA H 30 3.660 3.660 3.982 -0.322 17818 2206 1 5 . 1 1 30 30 VAL CA C 30 64.800 64.800 63.254 1.546 17818 2207 1 5 . 1 1 30 30 VAL CB C 30 31.600 31.600 31.800 -0.200 17818 2208 1 5 . 1 1 30 30 VAL H H 30 9.170 9.170 8.937 0.233 17818 2209 1 5 . 1 1 31 31 LEU N N 31 129.800 129.800 130.630 -0.830 17818 2210 1 5 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.427 0.013 17818 2211 1 5 . 1 1 31 31 LEU CA C 31 56.000 56.000 56.334 -0.334 17818 2212 1 5 . 1 1 31 31 LEU CB C 31 41.800 41.800 43.318 -1.518 17818 2213 1 5 . 1 1 31 31 LEU H H 31 9.020 9.020 8.863 0.157 17818 2214 1 5 . 1 1 32 32 THR N N 32 115.700 115.700 115.153 0.547 17818 2215 1 5 . 1 1 32 32 THR CA C 32 59.300 59.300 59.679 -0.379 17818 2216 1 5 . 1 1 32 32 THR CB C 32 72.500 72.500 70.757 1.743 17818 2217 1 5 . 1 1 32 32 THR H H 32 8.220 8.220 8.001 0.219 17818 2218 1 5 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.625 -0.335 17818 2219 1 5 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.245 0.755 17818 2220 1 5 . 1 1 33 33 PRO CB C 33 32.400 32.400 32.060 0.340 17818 2221 1 5 . 1 1 34 34 GLY N N 34 109.400 109.400 111.724 -2.324 17818 2222 1 5 . 1 1 34 34 GLY CA C 34 44.200 44.200 43.754 0.446 17818 2223 1 5 . 1 1 34 34 GLY H H 34 9.010 9.010 8.327 0.683 17818 2224 1 5 . 1 1 35 35 ASP N N 35 119.400 119.400 119.915 -0.515 17818 2225 1 5 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.354 -0.024 17818 2226 1 5 . 1 1 35 35 ASP CA C 35 54.700 54.700 56.649 -1.949 17818 2227 1 5 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.243 -1.843 17818 2228 1 5 . 1 1 35 35 ASP H H 35 8.370 8.370 8.216 0.154 17818 2229 1 5 . 1 1 36 36 GLY N N 36 107.900 107.900 107.346 0.554 17818 2230 1 5 . 1 1 36 36 GLY CA C 36 46.000 46.000 46.615 -0.615 17818 2231 1 5 . 1 1 36 36 GLY H H 36 8.750 8.750 7.988 0.762 17818 2232 1 5 . 1 1 37 37 VAL N N 37 116.200 116.200 116.726 -0.526 17818 2233 1 5 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.070 0.430 17818 2234 1 5 . 1 1 37 37 VAL CA C 37 62.500 62.500 63.444 -0.944 17818 2235 1 5 . 1 1 37 37 VAL CB C 37 35.900 35.900 31.683 4.217 17818 2236 1 5 . 1 1 37 37 VAL H H 37 8.590 8.590 7.803 0.787 17818 2237 1 5 . 1 1 38 38 THR N N 38 126.400 126.400 113.447 12.953 17818 2238 1 5 . 1 1 38 38 THR HA H 38 4.210 4.210 4.189 0.021 17818 2239 1 5 . 1 1 38 38 THR CA C 38 63.300 63.300 62.025 1.276 17818 2240 1 5 . 1 1 38 38 THR CB C 38 65.800 65.800 67.631 -1.831 17818 2241 1 5 . 1 1 38 38 THR H H 38 10.650 10.650 7.816 2.834 17818 2242 1 5 . 1 1 39 39 LYS N N 39 127.000 127.000 126.961 0.039 17818 2243 1 5 . 1 1 39 39 LYS CA C 39 53.400 53.400 54.272 -0.872 17818 2244 1 5 . 1 1 39 39 LYS CB C 39 33.200 33.200 32.502 0.698 17818 2245 1 5 . 1 1 39 39 LYS H H 39 8.390 8.390 7.858 0.532 17818 2246 1 5 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.636 -0.436 17818 2247 1 5 . 1 1 40 40 PRO CB C 40 33.300 33.300 32.758 0.542 17818 2248 1 5 . 1 1 41 41 GLN N N 41 120.900 120.900 114.768 6.132 17818 2249 1 5 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.462 -0.002 17818 2250 1 5 . 1 1 41 41 GLN CA C 41 53.700 53.700 54.778 -1.078 17818 2251 1 5 . 1 1 41 41 GLN CB C 41 31.500 31.500 30.057 1.443 17818 2252 1 5 . 1 1 41 41 GLN H H 41 8.750 8.750 8.022 0.728 17818 2253 1 5 . 1 1 42 42 ALA N N 42 125.700 125.700 122.331 3.369 17818 2254 1 5 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.363 -0.583 17818 2255 1 5 . 1 1 42 42 ALA CA C 42 53.400 53.400 51.895 1.504 17818 2256 1 5 . 1 1 42 42 ALA CB C 42 17.800 17.800 19.008 -1.208 17818 2257 1 5 . 1 1 42 42 ALA H H 42 8.550 8.550 8.400 0.150 17818 2258 1 5 . 1 1 43 43 GLY N N 43 109.700 109.700 108.401 1.299 17818 2259 1 5 . 1 1 43 43 GLY CA C 43 45.200 45.200 45.073 0.127 17818 2260 1 5 . 1 1 43 43 GLY H H 43 8.970 8.970 8.724 0.246 17818 2261 1 5 . 1 1 44 44 LYS N N 44 120.300 120.300 121.194 -0.894 17818 2262 1 5 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.509 0.161 17818 2263 1 5 . 1 1 44 44 LYS CA C 44 53.800 53.800 53.952 -0.152 17818 2264 1 5 . 1 1 44 44 LYS CB C 44 34.100 34.100 34.454 -0.354 17818 2265 1 5 . 1 1 44 44 LYS H H 44 7.920 7.920 7.395 0.525 17818 2266 1 5 . 1 1 45 45 LYS N N 45 120.800 120.800 125.677 -4.877 17818 2267 1 5 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.203 0.317 17818 2268 1 5 . 1 1 45 45 LYS CA C 45 56.300 56.300 55.794 0.506 17818 2269 1 5 . 1 1 45 45 LYS CB C 45 32.900 32.900 31.531 1.369 17818 2270 1 5 . 1 1 45 45 LYS H H 45 8.340 8.340 8.723 -0.383 17818 2271 1 5 . 1 1 46 46 VAL N N 46 117.600 117.600 123.295 -5.695 17818 2272 1 5 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.583 -0.023 17818 2273 1 5 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.725 -0.825 17818 2274 1 5 . 1 1 46 46 VAL CB C 46 33.900 33.900 33.835 0.065 17818 2275 1 5 . 1 1 46 46 VAL H H 46 8.560 8.560 8.381 0.179 17818 2276 1 5 . 1 1 47 47 THR N N 47 115.600 115.600 123.238 -7.638 17818 2277 1 5 . 1 1 47 47 THR HA H 47 5.100 5.100 5.164 -0.064 17818 2278 1 5 . 1 1 47 47 THR CA C 47 61.600 61.600 62.141 -0.541 17818 2279 1 5 . 1 1 47 47 THR CB C 47 69.800 69.800 69.178 0.622 17818 2280 1 5 . 1 1 47 47 THR H H 47 8.130 8.130 8.429 -0.299 17818 2281 1 5 . 1 1 48 48 VAL N N 48 118.100 118.100 121.584 -3.484 17818 2282 1 5 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.385 0.405 17818 2283 1 5 . 1 1 48 48 VAL CA C 48 58.000 58.000 58.806 -0.806 17818 2284 1 5 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.421 0.079 17818 2285 1 5 . 1 1 48 48 VAL H H 48 9.740 9.740 9.127 0.613 17818 2286 1 5 . 1 1 49 49 HIS N N 49 119.000 119.000 117.656 1.344 17818 2287 1 5 . 1 1 49 49 HIS HA H 49 5.810 5.810 5.079 0.731 17818 2288 1 5 . 1 1 49 49 HIS CA C 49 54.600 54.600 54.673 -0.073 17818 2289 1 5 . 1 1 49 49 HIS CB C 49 35.600 35.600 34.549 1.051 17818 2290 1 5 . 1 1 49 49 HIS H H 49 8.630 8.630 8.485 0.145 17818 2291 1 5 . 1 1 50 50 TYR N N 50 116.800 116.800 120.315 -3.515 17818 2292 1 5 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.402 0.828 17818 2293 1 5 . 1 1 50 50 TYR CA C 50 56.000 56.000 56.799 -0.799 17818 2294 1 5 . 1 1 50 50 TYR CB C 50 43.500 43.500 41.671 1.829 17818 2295 1 5 . 1 1 50 50 TYR H H 50 9.870 9.870 8.908 0.962 17818 2296 1 5 . 1 1 51 51 ASP N N 51 120.400 120.400 121.416 -1.016 17818 2297 1 5 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.924 0.026 17818 2298 1 5 . 1 1 51 51 ASP CA C 51 54.400 54.400 53.686 0.714 17818 2299 1 5 . 1 1 51 51 ASP CB C 51 44.900 44.900 45.238 -0.338 17818 2300 1 5 . 1 1 51 51 ASP H H 51 8.840 8.840 8.579 0.261 17818 2301 1 5 . 1 1 52 52 GLY N N 52 112.500 112.500 110.183 2.317 17818 2302 1 5 . 1 1 52 52 GLY CA C 52 45.300 45.300 44.757 0.543 17818 2303 1 5 . 1 1 52 52 GLY H H 52 9.130 9.130 8.809 0.321 17818 2304 1 5 . 1 1 53 53 ARG N N 53 125.200 125.200 124.919 0.281 17818 2305 1 5 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.502 0.528 17818 2306 1 5 . 1 1 53 53 ARG CA C 53 53.900 53.900 54.170 -0.270 17818 2307 1 5 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.540 0.260 17818 2308 1 5 . 1 1 53 53 ARG H H 53 9.370 9.370 8.667 0.703 17818 2309 1 5 . 1 1 54 54 PHE N N 54 119.400 119.400 121.642 -2.242 17818 2310 1 5 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.939 -0.699 17818 2311 1 5 . 1 1 54 54 PHE CA C 54 57.300 57.300 55.707 1.593 17818 2312 1 5 . 1 1 54 54 PHE CB C 54 37.700 37.700 38.898 -1.198 17818 2313 1 5 . 1 1 54 54 PHE H H 54 8.770 8.770 8.729 0.041 17818 2314 1 5 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.342 -0.062 17818 2315 1 5 . 1 1 55 55 PRO CA C 55 65.700 65.700 64.809 0.891 17818 2316 1 5 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.516 0.284 17818 2317 1 5 . 1 1 56 56 ASP N N 56 113.600 113.600 118.153 -4.553 17818 2318 1 5 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.552 -0.082 17818 2319 1 5 . 1 1 56 56 ASP CA C 56 53.900 53.900 54.120 -0.220 17818 2320 1 5 . 1 1 56 56 ASP CB C 56 39.800 39.800 41.559 -1.759 17818 2321 1 5 . 1 1 56 56 ASP H H 56 7.780 7.780 8.098 -0.318 17818 2322 1 5 . 1 1 57 57 GLY N N 57 108.700 108.700 106.563 2.137 17818 2323 1 5 . 1 1 57 57 GLY CA C 57 44.900 44.900 44.700 0.200 17818 2324 1 5 . 1 1 57 57 GLY H H 57 8.440 8.440 8.109 0.331 17818 2325 1 5 . 1 1 58 58 LYS N N 58 122.800 122.800 122.380 0.420 17818 2326 1 5 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.566 -0.316 17818 2327 1 5 . 1 1 58 58 LYS CA C 58 57.500 57.500 56.057 1.443 17818 2328 1 5 . 1 1 58 58 LYS CB C 58 32.600 32.600 33.797 -1.196 17818 2329 1 5 . 1 1 58 58 LYS H H 58 8.230 8.230 7.980 0.250 17818 2330 1 5 . 1 1 59 59 GLN N N 59 125.800 125.800 120.293 5.507 17818 2331 1 5 . 1 1 59 59 GLN HA H 59 4.450 4.450 5.010 -0.560 17818 2332 1 5 . 1 1 59 59 GLN CA C 59 56.300 56.300 54.800 1.500 17818 2333 1 5 . 1 1 59 59 GLN CB C 59 30.900 30.900 31.046 -0.146 17818 2334 1 5 . 1 1 59 59 GLN H H 59 8.810 8.810 8.315 0.495 17818 2335 1 5 . 1 1 60 60 PHE N N 60 121.200 121.200 121.033 0.167 17818 2336 1 5 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.619 0.481 17818 2337 1 5 . 1 1 60 60 PHE CA C 60 56.500 56.500 59.487 -2.987 17818 2338 1 5 . 1 1 60 60 PHE CB C 60 40.900 40.900 40.233 0.667 17818 2339 1 5 . 1 1 60 60 PHE H H 60 8.340 8.340 8.615 -0.275 17818 2340 1 5 . 1 1 61 61 ASP N N 61 119.100 119.100 117.035 2.065 17818 2341 1 5 . 1 1 61 61 ASP CA C 61 54.700 54.700 52.895 1.805 17818 2342 1 5 . 1 1 61 61 ASP CB C 61 44.200 44.200 43.477 0.723 17818 2343 1 5 . 1 1 61 61 ASP H H 61 7.030 7.030 8.093 -1.063 17818 2344 1 5 . 1 1 62 62 SER N N 62 117.400 117.400 115.990 1.410 17818 2345 1 5 . 1 1 62 62 SER CA C 62 57.000 57.000 57.621 -0.621 17818 2346 1 5 . 1 1 62 62 SER CB C 62 64.800 64.800 62.810 1.990 17818 2347 1 5 . 1 1 62 62 SER H H 62 8.100 8.100 8.491 -0.391 17818 2348 1 5 . 1 1 63 63 SER N N 63 123.600 123.600 123.802 -0.202 17818 2349 1 5 . 1 1 63 63 SER HA H 63 4.200 4.200 4.356 -0.156 17818 2350 1 5 . 1 1 63 63 SER CA C 63 61.300 61.300 61.026 0.273 17818 2351 1 5 . 1 1 63 63 SER CB C 63 61.300 61.300 63.246 -1.946 17818 2352 1 5 . 1 1 63 63 SER H H 63 8.070 8.070 8.523 -0.453 17818 2353 1 5 . 1 1 64 64 ARG N N 64 124.000 124.000 121.109 2.891 17818 2354 1 5 . 1 1 64 64 ARG HA H 64 3.620 3.620 3.333 0.287 17818 2355 1 5 . 1 1 64 64 ARG CA C 64 59.300 59.300 58.125 1.175 17818 2356 1 5 . 1 1 64 64 ARG CB C 64 28.800 28.800 28.748 0.052 17818 2357 1 5 . 1 1 64 64 ARG H H 64 8.810 8.810 8.421 0.389 17818 2358 1 5 . 1 1 65 65 SER N N 65 114.600 114.600 113.745 0.855 17818 2359 1 5 . 1 1 65 65 SER HA H 65 4.190 4.190 4.342 -0.152 17818 2360 1 5 . 1 1 65 65 SER CA C 65 60.700 60.700 58.613 2.087 17818 2361 1 5 . 1 1 65 65 SER CB C 65 62.700 62.700 62.909 -0.209 17818 2362 1 5 . 1 1 65 65 SER H H 65 7.800 7.800 7.862 -0.062 17818 2363 1 5 . 1 1 66 66 ARG N N 66 118.000 118.000 119.618 -1.618 17818 2364 1 5 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.265 0.155 17818 2365 1 5 . 1 1 66 66 ARG CA C 66 57.100 57.100 54.966 2.134 17818 2366 1 5 . 1 1 66 66 ARG CB C 66 31.500 31.500 29.294 2.206 17818 2367 1 5 . 1 1 66 66 ARG H H 66 7.110 7.110 7.506 -0.396 17818 2368 1 5 . 1 1 67 67 GLY N N 67 106.700 106.700 106.945 -0.245 17818 2369 1 5 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.759 0.041 17818 2370 1 5 . 1 1 67 67 GLY H H 67 7.800 7.800 7.721 0.079 17818 2371 1 5 . 1 1 68 68 LYS N N 68 117.600 117.600 121.117 -3.517 17818 2372 1 5 . 1 1 68 68 LYS HA H 68 5.010 5.010 5.004 0.006 17818 2373 1 5 . 1 1 68 68 LYS CA C 68 53.100 53.100 52.890 0.210 17818 2374 1 5 . 1 1 68 68 LYS CB C 68 34.900 34.900 34.083 0.818 17818 2375 1 5 . 1 1 68 68 LYS H H 68 7.440 7.440 8.166 -0.726 17818 2376 1 5 . 1 1 69 69 PRO HA H 69 4.060 4.060 4.688 -0.628 17818 2377 1 5 . 1 1 69 69 PRO CA C 69 62.700 62.700 62.070 0.630 17818 2378 1 5 . 1 1 69 69 PRO CB C 69 32.300 32.300 32.707 -0.407 17818 2379 1 5 . 1 1 70 70 PHE N N 70 123.200 123.200 120.755 2.445 17818 2380 1 5 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.940 0.100 17818 2381 1 5 . 1 1 70 70 PHE CA C 70 57.100 57.100 56.440 0.660 17818 2382 1 5 . 1 1 70 70 PHE CB C 70 42.900 42.900 43.101 -0.201 17818 2383 1 5 . 1 1 70 70 PHE H H 70 9.180 9.180 8.650 0.530 17818 2384 1 5 . 1 1 71 71 GLN N N 71 126.000 126.000 123.072 2.928 17818 2385 1 5 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.359 0.391 17818 2386 1 5 . 1 1 71 71 GLN CA C 71 53.300 53.300 53.928 -0.628 17818 2387 1 5 . 1 1 71 71 GLN CB C 71 32.900 32.900 31.955 0.945 17818 2388 1 5 . 1 1 71 71 GLN H H 71 8.020 8.020 7.339 0.681 17818 2389 1 5 . 1 1 72 72 PHE N N 72 116.800 116.800 119.010 -2.210 17818 2390 1 5 . 1 1 72 72 PHE HA H 72 4.700 4.700 4.843 -0.143 17818 2391 1 5 . 1 1 72 72 PHE CA C 72 55.500 55.500 56.195 -0.695 17818 2392 1 5 . 1 1 72 72 PHE CB C 72 40.900 40.900 41.809 -0.909 17818 2393 1 5 . 1 1 72 72 PHE H H 72 8.110 8.110 8.768 -0.658 17818 2394 1 5 . 1 1 73 73 THR N N 73 118.800 118.800 119.340 -0.540 17818 2395 1 5 . 1 1 73 73 THR HA H 73 3.960 3.960 4.333 -0.373 17818 2396 1 5 . 1 1 73 73 THR CA C 73 62.600 62.600 63.370 -0.770 17818 2397 1 5 . 1 1 73 73 THR CB C 73 67.500 67.500 68.186 -0.686 17818 2398 1 5 . 1 1 73 73 THR H H 73 9.080 9.080 8.715 0.365 17818 2399 1 5 . 1 1 74 74 LEU N N 74 132.500 132.500 129.558 2.942 17818 2400 1 5 . 1 1 74 74 LEU HA H 74 4.140 4.140 4.023 0.117 17818 2401 1 5 . 1 1 74 74 LEU CA C 74 56.800 56.800 55.974 0.826 17818 2402 1 5 . 1 1 74 74 LEU CB C 74 41.800 41.800 42.453 -0.653 17818 2403 1 5 . 1 1 74 74 LEU H H 74 8.220 8.220 8.483 -0.263 17818 2404 1 5 . 1 1 75 75 GLY N N 75 118.100 118.100 114.813 3.287 17818 2405 1 5 . 1 1 75 75 GLY CA C 75 46.200 46.200 44.904 1.296 17818 2406 1 5 . 1 1 75 75 GLY H H 75 9.850 9.850 8.859 0.991 17818 2407 1 5 . 1 1 76 76 ALA N N 76 120.600 120.600 123.861 -3.261 17818 2408 1 5 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.630 -0.130 17818 2409 1 5 . 1 1 76 76 ALA CA C 76 51.900 51.900 50.912 0.988 17818 2410 1 5 . 1 1 76 76 ALA CB C 76 20.200 20.200 20.512 -0.312 17818 2411 1 5 . 1 1 76 76 ALA H H 76 7.550 7.550 7.676 -0.126 17818 2412 1 5 . 1 1 77 77 GLY N N 77 110.500 110.500 108.136 2.364 17818 2413 1 5 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.581 0.819 17818 2414 1 5 . 1 1 77 77 GLY H H 77 8.790 8.790 8.742 0.048 17818 2415 1 5 . 1 1 78 78 GLU N N 78 119.400 119.400 120.437 -1.037 17818 2416 1 5 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.341 -0.191 17818 2417 1 5 . 1 1 78 78 GLU CA C 78 57.200 57.200 56.725 0.475 17818 2418 1 5 . 1 1 78 78 GLU CB C 78 30.900 30.900 30.249 0.651 17818 2419 1 5 . 1 1 78 78 GLU H H 78 9.240 9.240 8.256 0.984 17818 2420 1 5 . 1 1 79 79 VAL N N 79 108.600 108.600 115.035 -6.435 17818 2421 1 5 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.459 -0.239 17818 2422 1 5 . 1 1 79 79 VAL CA C 79 57.300 57.300 60.157 -2.857 17818 2423 1 5 . 1 1 79 79 VAL CB C 79 35.400 35.400 34.293 1.107 17818 2424 1 5 . 1 1 79 79 VAL H H 79 6.760 6.760 7.419 -0.659 17818 2425 1 5 . 1 1 80 80 ILE N N 80 111.800 111.800 115.814 -4.014 17818 2426 1 5 . 1 1 80 80 ILE HA H 80 3.800 3.800 4.181 -0.381 17818 2427 1 5 . 1 1 80 80 ILE CA C 80 61.800 61.800 60.894 0.906 17818 2428 1 5 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.684 -0.684 17818 2429 1 5 . 1 1 80 80 ILE H H 80 7.300 7.300 7.860 -0.560 17818 2430 1 5 . 1 1 81 81 LYS N N 81 124.700 124.700 124.109 0.591 17818 2431 1 5 . 1 1 81 81 LYS HA H 81 4.160 4.160 4.008 0.152 17818 2432 1 5 . 1 1 81 81 LYS CA C 81 59.700 59.700 59.018 0.682 17818 2433 1 5 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.847 0.953 17818 2434 1 5 . 1 1 81 81 LYS H H 81 8.880 8.880 8.678 0.202 17818 2435 1 5 . 1 1 82 82 GLY N N 82 101.700 101.700 107.188 -5.488 17818 2436 1 5 . 1 1 82 82 GLY CA C 82 47.300 47.300 47.272 0.028 17818 2437 1 5 . 1 1 82 82 GLY H H 82 9.580 9.580 8.241 1.339 17818 2438 1 5 . 1 1 83 83 TRP N N 83 119.300 119.300 122.055 -2.755 17818 2439 1 5 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.483 -0.473 17818 2440 1 5 . 1 1 83 83 TRP CA C 83 59.300 59.300 57.127 2.173 17818 2441 1 5 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.809 0.291 17818 2442 1 5 . 1 1 83 83 TRP H H 83 7.450 7.450 7.259 0.191 17818 2443 1 5 . 1 1 84 84 ASP N N 84 120.900 120.900 120.392 0.508 17818 2444 1 5 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.388 -0.388 17818 2445 1 5 . 1 1 84 84 ASP CA C 84 58.200 58.200 58.187 0.013 17818 2446 1 5 . 1 1 84 84 ASP CB C 84 41.000 41.000 40.923 0.077 17818 2447 1 5 . 1 1 84 84 ASP H H 84 7.120 7.120 8.446 -1.326 17818 2448 1 5 . 1 1 85 85 GLN N N 85 114.500 114.500 119.239 -4.739 17818 2449 1 5 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.016 -0.016 17818 2450 1 5 . 1 1 85 85 GLN CA C 85 58.200 58.200 58.582 -0.382 17818 2451 1 5 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.819 0.081 17818 2452 1 5 . 1 1 85 85 GLN H H 85 8.360 8.360 8.304 0.056 17818 2453 1 5 . 1 1 86 86 GLY N N 86 106.300 106.300 107.409 -1.109 17818 2454 1 5 . 1 1 86 86 GLY CA C 86 47.700 47.700 46.734 0.966 17818 2455 1 5 . 1 1 86 86 GLY H H 86 7.960 7.960 7.917 0.043 17818 2456 1 5 . 1 1 87 87 VAL N N 87 125.300 125.300 120.288 5.012 17818 2457 1 5 . 1 1 87 87 VAL HA H 87 3.630 3.630 3.876 -0.246 17818 2458 1 5 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.423 1.977 17818 2459 1 5 . 1 1 87 87 VAL CB C 87 30.300 30.300 32.312 -2.012 17818 2460 1 5 . 1 1 87 87 VAL H H 87 9.090 9.090 7.945 1.145 17818 2461 1 5 . 1 1 88 88 ALA N N 88 116.500 116.500 121.641 -5.141 17818 2462 1 5 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.143 -0.153 17818 2463 1 5 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.498 -0.199 17818 2464 1 5 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.544 0.056 17818 2465 1 5 . 1 1 88 88 ALA H H 88 6.750 6.750 7.768 -1.018 17818 2466 1 5 . 1 1 89 89 THR N N 89 105.500 105.500 113.148 -7.648 17818 2467 1 5 . 1 1 89 89 THR HA H 89 4.520 4.520 4.407 0.113 17818 2468 1 5 . 1 1 89 89 THR CA C 89 62.300 62.300 61.871 0.429 17818 2469 1 5 . 1 1 89 89 THR CB C 89 71.100 71.100 68.611 2.489 17818 2470 1 5 . 1 1 89 89 THR H H 89 7.400 7.400 7.970 -0.570 17818 2471 1 5 . 1 1 90 90 MET N N 90 122.400 122.400 117.009 5.391 17818 2472 1 5 . 1 1 90 90 MET CA C 90 56.200 56.200 53.995 2.205 17818 2473 1 5 . 1 1 90 90 MET CB C 90 36.800 36.800 35.942 0.858 17818 2474 1 5 . 1 1 90 90 MET H H 90 7.550 7.550 7.385 0.165 17818 2475 1 5 . 1 1 91 91 THR N N 91 105.200 105.200 110.042 -4.842 17818 2476 1 5 . 1 1 91 91 THR HA H 91 5.120 5.120 4.786 0.334 17818 2477 1 5 . 1 1 91 91 THR CA C 91 59.800 59.800 59.475 0.325 17818 2478 1 5 . 1 1 91 91 THR CB C 91 71.900 71.900 72.318 -0.418 17818 2479 1 5 . 1 1 91 91 THR H H 91 7.350 7.350 7.968 -0.618 17818 2480 1 5 . 1 1 92 92 LEU N N 92 121.200 121.200 121.195 0.005 17818 2481 1 5 . 1 1 92 92 LEU HA H 92 3.600 3.600 3.948 -0.348 17818 2482 1 5 . 1 1 92 92 LEU CA C 92 58.100 58.100 55.841 2.259 17818 2483 1 5 . 1 1 92 92 LEU CB C 92 43.400 43.400 42.532 0.868 17818 2484 1 5 . 1 1 92 92 LEU H H 92 8.180 8.180 8.022 0.158 17818 2485 1 5 . 1 1 93 93 GLY N N 93 115.800 115.800 112.618 3.182 17818 2486 1 5 . 1 1 93 93 GLY CA C 93 44.700 44.700 44.981 -0.281 17818 2487 1 5 . 1 1 93 93 GLY H H 93 8.490 8.490 8.801 -0.311 17818 2488 1 5 . 1 1 94 94 GLU N N 94 123.700 123.700 121.052 2.648 17818 2489 1 5 . 1 1 94 94 GLU HA H 94 4.290 4.290 4.792 -0.502 17818 2490 1 5 . 1 1 94 94 GLU CA C 94 56.100 56.100 55.036 1.064 17818 2491 1 5 . 1 1 94 94 GLU CB C 94 33.500 33.500 32.237 1.262 17818 2492 1 5 . 1 1 94 94 GLU H H 94 8.650 8.650 7.624 1.026 17818 2493 1 5 . 1 1 95 95 LYS N N 95 124.200 124.200 127.749 -3.549 17818 2494 1 5 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.141 0.419 17818 2495 1 5 . 1 1 95 95 LYS CA C 95 54.600 54.600 55.017 -0.417 17818 2496 1 5 . 1 1 95 95 LYS CB C 95 35.300 35.300 35.198 0.102 17818 2497 1 5 . 1 1 95 95 LYS H H 95 8.950 8.950 8.765 0.185 17818 2498 1 5 . 1 1 96 96 ALA N N 96 129.100 129.100 129.570 -0.470 17818 2499 1 5 . 1 1 96 96 ALA HA H 96 4.990 4.990 5.243 -0.253 17818 2500 1 5 . 1 1 96 96 ALA CA C 96 50.500 50.500 49.831 0.669 17818 2501 1 5 . 1 1 96 96 ALA CB C 96 23.900 23.900 22.854 1.046 17818 2502 1 5 . 1 1 96 96 ALA H H 96 9.530 9.530 9.314 0.216 17818 2503 1 5 . 1 1 97 97 LEU N N 97 122.200 122.200 123.795 -1.595 17818 2504 1 5 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.710 0.470 17818 2505 1 5 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.151 -1.151 17818 2506 1 5 . 1 1 97 97 LEU CB C 97 45.800 45.800 42.918 2.882 17818 2507 1 5 . 1 1 97 97 LEU H H 97 9.100 9.100 8.819 0.281 17818 2508 1 5 . 1 1 98 98 PHE N N 98 125.800 125.800 129.865 -4.065 17818 2509 1 5 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.768 -0.068 17818 2510 1 5 . 1 1 98 98 PHE CA C 98 56.500 56.500 55.525 0.975 17818 2511 1 5 . 1 1 98 98 PHE CB C 98 42.300 42.300 43.317 -1.017 17818 2512 1 5 . 1 1 98 98 PHE H H 98 9.940 9.940 9.343 0.597 17818 2513 1 5 . 1 1 99 99 THR N N 99 121.600 121.600 124.382 -2.782 17818 2514 1 5 . 1 1 99 99 THR CA C 99 63.500 63.500 62.962 0.537 17818 2515 1 5 . 1 1 99 99 THR CB C 99 68.600 68.600 68.473 0.127 17818 2516 1 5 . 1 1 99 99 THR H H 99 9.100 9.100 8.453 0.647 17818 2517 1 5 . 1 1 100 100 ILE N N 100 127.400 127.400 128.888 -1.488 17818 2518 1 5 . 1 1 100 100 ILE CA C 100 58.700 58.700 56.863 1.837 17818 2519 1 5 . 1 1 100 100 ILE CB C 100 39.400 39.400 38.191 1.209 17818 2520 1 5 . 1 1 100 100 ILE H H 100 9.880 9.880 9.239 0.641 17818 2521 1 5 . 1 1 101 101 PRO CA C 101 62.200 62.200 62.310 -0.111 17818 2522 1 5 . 1 1 101 101 PRO CB C 101 32.500 32.500 32.118 0.382 17818 2523 1 5 . 1 1 102 102 TYR N N 102 118.100 118.100 120.603 -2.503 17818 2524 1 5 . 1 1 102 102 TYR HA H 102 4.470 4.470 4.062 0.408 17818 2525 1 5 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.548 0.551 17818 2526 1 5 . 1 1 102 102 TYR CB C 102 37.000 37.000 37.138 -0.138 17818 2527 1 5 . 1 1 102 102 TYR H H 102 8.450 8.450 8.622 -0.172 17818 2528 1 5 . 1 1 103 103 GLN N N 103 123.800 123.800 117.222 6.578 17818 2529 1 5 . 1 1 103 103 GLN HA H 103 4.050 4.050 3.742 0.308 17818 2530 1 5 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.741 1.759 17818 2531 1 5 . 1 1 103 103 GLN CB C 103 27.300 27.300 28.042 -0.742 17818 2532 1 5 . 1 1 103 103 GLN H H 103 9.080 9.080 7.883 1.197 17818 2533 1 5 . 1 1 104 104 LEU N N 104 116.800 116.800 118.103 -1.303 17818 2534 1 5 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.554 -0.034 17818 2535 1 5 . 1 1 104 104 LEU CA C 104 53.100 53.100 53.794 -0.694 17818 2536 1 5 . 1 1 104 104 LEU CB C 104 43.400 43.400 41.646 1.754 17818 2537 1 5 . 1 1 104 104 LEU H H 104 7.790 7.790 7.606 0.184 17818 2538 1 5 . 1 1 105 105 ALA N N 105 125.400 125.400 120.926 4.474 17818 2539 1 5 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.434 0.036 17818 2540 1 5 . 1 1 105 105 ALA CA C 105 51.000 51.000 51.653 -0.653 17818 2541 1 5 . 1 1 105 105 ALA CB C 105 18.900 18.900 20.502 -1.602 17818 2542 1 5 . 1 1 105 105 ALA H H 105 7.780 7.780 7.330 0.450 17818 2543 1 5 . 1 1 106 106 TYR N N 106 122.000 122.000 117.603 4.397 17818 2544 1 5 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.542 0.068 17818 2545 1 5 . 1 1 106 106 TYR CA C 106 59.300 59.300 58.397 0.903 17818 2546 1 5 . 1 1 106 106 TYR CB C 106 37.400 37.400 38.204 -0.804 17818 2547 1 5 . 1 1 106 106 TYR H H 106 9.430 9.430 8.577 0.853 17818 2548 1 5 . 1 1 107 107 GLY N N 107 105.500 105.500 108.164 -2.664 17818 2549 1 5 . 1 1 107 107 GLY CA C 107 46.500 46.500 46.177 0.323 17818 2550 1 5 . 1 1 107 107 GLY H H 107 8.490 8.490 8.164 0.326 17818 2551 1 5 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.335 -0.825 17818 2552 1 5 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.782 -0.282 17818 2553 1 5 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.664 -0.064 17818 2554 1 5 . 1 1 109 109 ARG N N 109 115.900 115.900 116.859 -0.959 17818 2555 1 5 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.249 -0.069 17818 2556 1 5 . 1 1 109 109 ARG CA C 109 57.400 57.400 55.845 1.555 17818 2557 1 5 . 1 1 109 109 ARG CB C 109 30.700 30.700 30.781 -0.081 17818 2558 1 5 . 1 1 109 109 ARG H H 109 8.840 8.840 7.925 0.915 17818 2559 1 5 . 1 1 110 110 GLY N N 110 130.700 130.700 107.307 23.393 17818 2560 1 5 . 1 1 110 110 GLY CA C 110 44.800 44.800 46.733 -1.933 17818 2561 1 5 . 1 1 110 110 GLY H H 110 7.140 7.140 8.345 -1.205 17818 2562 1 5 . 1 1 111 111 TYR N N 111 119.700 119.700 118.284 1.416 17818 2563 1 5 . 1 1 111 111 TYR CA C 111 54.500 54.500 60.224 -5.723 17818 2564 1 5 . 1 1 111 111 TYR CB C 111 38.600 38.600 36.434 2.166 17818 2565 1 5 . 1 1 111 111 TYR H H 111 8.570 8.570 7.852 0.718 17818 2566 1 5 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.448 -0.649 17818 2567 1 5 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.831 2.469 17818 2568 1 5 . 1 1 114 114 VAL N N 114 122.900 122.900 117.022 5.878 17818 2569 1 5 . 1 1 114 114 VAL HA H 114 3.850 3.850 3.930 -0.080 17818 2570 1 5 . 1 1 114 114 VAL CA C 114 65.600 65.600 63.652 1.948 17818 2571 1 5 . 1 1 114 114 VAL CB C 114 33.000 33.000 31.752 1.248 17818 2572 1 5 . 1 1 114 114 VAL H H 114 7.870 7.870 7.766 0.104 17818 2573 1 5 . 1 1 115 115 ILE N N 115 118.100 118.100 121.258 -3.158 17818 2574 1 5 . 1 1 115 115 ILE CA C 115 56.300 56.300 57.278 -0.978 17818 2575 1 5 . 1 1 115 115 ILE CB C 115 37.700 37.700 37.845 -0.145 17818 2576 1 5 . 1 1 115 115 ILE H H 115 7.550 7.550 7.955 -0.405 17818 2577 1 5 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.378 -0.758 17818 2578 1 5 . 1 1 117 117 PRO CA C 117 63.400 63.400 63.062 0.338 17818 2579 1 5 . 1 1 117 117 PRO CB C 117 32.800 32.800 31.890 0.910 17818 2580 1 5 . 1 1 118 118 LYS N N 118 115.100 115.100 115.952 -0.852 17818 2581 1 5 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.566 -0.986 17818 2582 1 5 . 1 1 118 118 LYS CA C 118 57.900 57.900 56.876 1.024 17818 2583 1 5 . 1 1 118 118 LYS CB C 118 29.700 29.700 29.929 -0.229 17818 2584 1 5 . 1 1 118 118 LYS H H 118 7.330 7.330 8.411 -1.081 17818 2585 1 5 . 1 1 119 119 ALA N N 119 121.900 121.900 121.050 0.850 17818 2586 1 5 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.519 -0.069 17818 2587 1 5 . 1 1 119 119 ALA CA C 119 52.700 52.700 51.731 0.969 17818 2588 1 5 . 1 1 119 119 ALA CB C 119 20.100 20.100 20.596 -0.496 17818 2589 1 5 . 1 1 119 119 ALA H H 119 7.900 7.900 7.875 0.025 17818 2590 1 5 . 1 1 120 120 THR N N 120 121.800 121.800 117.702 4.098 17818 2591 1 5 . 1 1 120 120 THR CA C 120 63.100 63.100 62.379 0.721 17818 2592 1 5 . 1 1 120 120 THR CB C 120 69.800 69.800 69.781 0.019 17818 2593 1 5 . 1 1 120 120 THR H H 120 8.170 8.170 8.341 -0.171 17818 2594 1 5 . 1 1 121 121 LEU N N 121 124.200 124.200 127.164 -2.964 17818 2595 1 5 . 1 1 121 121 LEU CA C 121 53.100 53.100 52.795 0.304 17818 2596 1 5 . 1 1 121 121 LEU CB C 121 46.300 46.300 46.040 0.260 17818 2597 1 5 . 1 1 121 121 LEU H H 121 8.640 8.640 9.071 -0.431 17818 2598 1 5 . 1 1 122 122 VAL N N 122 122.200 122.200 124.367 -2.167 17818 2599 1 5 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.535 0.755 17818 2600 1 5 . 1 1 122 122 VAL CA C 122 60.700 60.700 61.581 -0.881 17818 2601 1 5 . 1 1 122 122 VAL CB C 122 33.300 33.300 31.856 1.444 17818 2602 1 5 . 1 1 122 122 VAL H H 122 8.860 8.860 8.651 0.209 17818 2603 1 5 . 1 1 123 123 PHE N N 123 122.900 122.900 127.493 -4.593 17818 2604 1 5 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.240 0.160 17818 2605 1 5 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.227 -0.827 17818 2606 1 5 . 1 1 123 123 PHE CB C 123 44.000 44.000 41.526 2.474 17818 2607 1 5 . 1 1 123 123 PHE H H 123 9.620 9.620 9.513 0.107 17818 2608 1 5 . 1 1 124 124 GLU N N 124 125.500 125.500 125.758 -0.258 17818 2609 1 5 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.963 0.937 17818 2610 1 5 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.298 -0.698 17818 2611 1 5 . 1 1 124 124 GLU CB C 124 31.800 31.800 30.033 1.767 17818 2612 1 5 . 1 1 124 124 GLU H H 124 9.180 9.180 9.030 0.150 17818 2613 1 5 . 1 1 125 125 VAL N N 125 128.100 128.100 121.035 7.065 17818 2614 1 5 . 1 1 125 125 VAL CA C 125 61.300 61.300 59.377 1.923 17818 2615 1 5 . 1 1 125 125 VAL CB C 125 35.800 35.800 33.166 2.634 17818 2616 1 5 . 1 1 125 125 VAL H H 125 9.600 9.600 8.881 0.719 17818 2617 1 5 . 1 1 126 126 GLU N N 126 128.500 128.500 126.037 2.463 17818 2618 1 5 . 1 1 126 126 GLU HA H 126 5.630 5.630 5.055 0.575 17818 2619 1 5 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.327 -0.827 17818 2620 1 5 . 1 1 126 126 GLU CB C 126 34.000 34.000 33.633 0.367 17818 2621 1 5 . 1 1 126 126 GLU H H 126 9.420 9.420 8.733 0.687 17818 2622 1 5 . 1 1 127 127 LEU N N 127 127.900 127.900 129.020 -1.120 17818 2623 1 5 . 1 1 127 127 LEU CA C 127 55.100 55.100 54.381 0.719 17818 2624 1 5 . 1 1 127 127 LEU CB C 127 41.400 41.400 41.732 -0.332 17818 2625 1 5 . 1 1 127 127 LEU H H 127 8.720 8.720 9.123 -0.403 17818 2626 1 5 . 1 1 128 128 LEU N N 128 128.700 128.700 129.661 -0.961 17818 2627 1 5 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.530 -0.130 17818 2628 1 5 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.690 0.210 17818 2629 1 5 . 1 1 128 128 LEU CB C 128 43.700 43.700 42.339 1.361 17818 2630 1 5 . 1 1 128 128 LEU H H 128 8.690 8.690 8.980 -0.290 17818 2631 1 5 . 1 1 129 129 ALA N N 129 118.600 118.600 118.375 0.225 17818 2632 1 5 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.588 -0.128 17818 2633 1 5 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.084 1.716 17818 2634 1 5 . 1 1 129 129 ALA CB C 129 21.100 21.100 21.744 -0.644 17818 2635 1 5 . 1 1 129 129 ALA H H 129 7.810 7.810 7.941 -0.131 17818 2636 1 6 . 1 1 8 8 HIS CA C 8 54.700 54.700 56.195 -1.495 17818 2637 1 6 . 1 1 8 8 HIS CB C 8 31.200 31.200 30.206 0.994 17818 2638 1 6 . 1 1 9 9 MET N N 9 120.000 120.000 124.842 -4.842 17818 2639 1 6 . 1 1 9 9 MET HA H 9 4.280 4.280 4.590 -0.310 17818 2640 1 6 . 1 1 9 9 MET CA C 9 55.500 55.500 55.131 0.369 17818 2641 1 6 . 1 1 9 9 MET CB C 9 32.500 32.500 34.269 -1.769 17818 2642 1 6 . 1 1 9 9 MET H H 9 8.110 8.110 8.179 -0.069 17818 2643 1 6 . 1 1 10 10 GLY N N 10 109.800 109.800 111.815 -2.015 17818 2644 1 6 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.248 0.052 17818 2645 1 6 . 1 1 10 10 GLY H H 10 8.440 8.440 8.284 0.156 17818 2646 1 6 . 1 1 11 11 THR N N 11 113.600 113.600 115.510 -1.910 17818 2647 1 6 . 1 1 11 11 THR HA H 11 4.330 4.330 4.335 -0.005 17818 2648 1 6 . 1 1 11 11 THR CA C 11 62.000 62.000 63.029 -1.029 17818 2649 1 6 . 1 1 11 11 THR CB C 11 69.900 69.900 69.099 0.801 17818 2650 1 6 . 1 1 11 11 THR H H 11 8.070 8.070 8.404 -0.334 17818 2651 1 6 . 1 1 12 12 LEU N N 12 124.200 124.200 117.781 6.419 17818 2652 1 6 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.035 0.285 17818 2653 1 6 . 1 1 12 12 LEU CA C 12 55.500 55.500 56.069 -0.569 17818 2654 1 6 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.121 0.979 17818 2655 1 6 . 1 1 12 12 LEU H H 12 8.380 8.380 7.818 0.562 17818 2656 1 6 . 1 1 13 13 GLU N N 13 121.600 121.600 119.225 2.375 17818 2657 1 6 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.481 -0.281 17818 2658 1 6 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.514 1.386 17818 2659 1 6 . 1 1 13 13 GLU CB C 13 30.000 30.000 30.404 -0.404 17818 2660 1 6 . 1 1 13 13 GLU H H 13 8.430 8.430 8.036 0.394 17818 2661 1 6 . 1 1 14 14 ALA N N 14 124.400 124.400 128.716 -4.316 17818 2662 1 6 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.450 -0.180 17818 2663 1 6 . 1 1 14 14 ALA CA C 14 52.700 52.700 51.725 0.975 17818 2664 1 6 . 1 1 14 14 ALA CB C 14 19.100 19.100 18.841 0.259 17818 2665 1 6 . 1 1 14 14 ALA H H 14 8.290 8.290 8.708 -0.418 17818 2666 1 6 . 1 1 15 15 GLN N N 15 119.100 119.100 122.441 -3.341 17818 2667 1 6 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.144 0.246 17818 2668 1 6 . 1 1 15 15 GLN CA C 15 56.000 56.000 57.325 -1.325 17818 2669 1 6 . 1 1 15 15 GLN CB C 15 29.400 29.400 29.278 0.122 17818 2670 1 6 . 1 1 15 15 GLN H H 15 8.370 8.370 8.624 -0.254 17818 2671 1 6 . 1 1 16 16 THR N N 16 114.900 114.900 114.013 0.887 17818 2672 1 6 . 1 1 16 16 THR CA C 16 62.100 62.100 61.713 0.387 17818 2673 1 6 . 1 1 16 16 THR CB C 16 69.800 69.800 70.049 -0.249 17818 2674 1 6 . 1 1 16 16 THR H H 16 8.200 8.200 8.019 0.181 17818 2675 1 6 . 1 1 17 17 GLN N N 17 122.200 122.200 123.948 -1.748 17818 2676 1 6 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.348 0.082 17818 2677 1 6 . 1 1 17 17 GLN CA C 17 55.600 55.600 56.807 -1.207 17818 2678 1 6 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.273 0.427 17818 2679 1 6 . 1 1 17 17 GLN H H 17 8.420 8.420 8.728 -0.308 17818 2680 1 6 . 1 1 18 18 GLY N N 18 110.100 110.100 106.462 3.638 17818 2681 1 6 . 1 1 18 18 GLY CA C 18 44.600 44.600 45.051 -0.451 17818 2682 1 6 . 1 1 18 18 GLY H H 18 8.360 8.360 7.867 0.493 17818 2683 1 6 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.523 -0.083 17818 2684 1 6 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.003 0.597 17818 2685 1 6 . 1 1 19 19 PRO CB C 19 32.000 32.000 32.060 -0.061 17818 2686 1 6 . 1 1 20 20 GLY N N 20 109.400 109.400 110.108 -0.708 17818 2687 1 6 . 1 1 20 20 GLY CA C 20 45.300 45.300 45.358 -0.058 17818 2688 1 6 . 1 1 20 20 GLY H H 20 8.630 8.630 8.677 -0.047 17818 2689 1 6 . 1 1 21 21 SER N N 21 115.400 115.400 115.101 0.299 17818 2690 1 6 . 1 1 21 21 SER CA C 21 63.800 63.800 56.873 6.927 17818 2691 1 6 . 1 1 21 21 SER CB C 21 69.800 69.800 64.496 5.304 17818 2692 1 6 . 1 1 21 21 SER H H 21 4.180 4.180 7.825 -3.645 17818 2693 1 6 . 1 1 22 22 MET N N 22 121.900 121.900 122.218 -0.318 17818 2694 1 6 . 1 1 22 22 MET CA C 22 55.500 55.500 55.003 0.497 17818 2695 1 6 . 1 1 22 22 MET CB C 22 32.800 32.800 33.553 -0.753 17818 2696 1 6 . 1 1 22 22 MET H H 22 8.440 8.440 8.484 -0.044 17818 2697 1 6 . 1 1 23 23 SER N N 23 116.600 116.600 117.425 -0.825 17818 2698 1 6 . 1 1 23 23 SER HA H 23 4.400 4.400 4.720 -0.320 17818 2699 1 6 . 1 1 23 23 SER CA C 23 58.300 58.300 57.770 0.530 17818 2700 1 6 . 1 1 23 23 SER CB C 23 63.700 63.700 64.946 -1.246 17818 2701 1 6 . 1 1 23 23 SER H H 23 8.290 8.290 7.714 0.576 17818 2702 1 6 . 1 1 24 24 ALA N N 24 125.700 125.700 124.236 1.464 17818 2703 1 6 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.305 -0.015 17818 2704 1 6 . 1 1 24 24 ALA CA C 24 52.100 52.100 51.593 0.507 17818 2705 1 6 . 1 1 24 24 ALA CB C 24 19.300 19.300 19.427 -0.127 17818 2706 1 6 . 1 1 24 24 ALA H H 24 8.200 8.200 8.299 -0.099 17818 2707 1 6 . 1 1 25 25 GLN N N 25 118.300 118.300 121.525 -3.225 17818 2708 1 6 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.414 0.096 17818 2709 1 6 . 1 1 25 25 GLN CA C 25 54.200 54.200 54.752 -0.552 17818 2710 1 6 . 1 1 25 25 GLN CB C 25 31.300 31.300 30.055 1.245 17818 2711 1 6 . 1 1 25 25 GLN H H 25 8.280 8.280 8.530 -0.250 17818 2712 1 6 . 1 1 26 26 LEU N N 26 122.100 122.100 126.161 -4.061 17818 2713 1 6 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.736 -0.276 17818 2714 1 6 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.875 0.425 17818 2715 1 6 . 1 1 26 26 LEU CB C 26 43.500 43.500 42.611 0.889 17818 2716 1 6 . 1 1 26 26 LEU H H 26 8.480 8.480 8.566 -0.086 17818 2717 1 6 . 1 1 27 27 GLU N N 27 125.300 125.300 127.594 -2.294 17818 2718 1 6 . 1 1 27 27 GLU CA C 27 55.300 55.300 56.003 -0.703 17818 2719 1 6 . 1 1 27 27 GLU CB C 27 32.400 32.400 31.621 0.779 17818 2720 1 6 . 1 1 27 27 GLU H H 27 8.240 8.240 8.825 -0.585 17818 2721 1 6 . 1 1 28 28 LYS N N 28 125.000 125.000 123.816 1.184 17818 2722 1 6 . 1 1 28 28 LYS HA H 28 4.610 4.610 5.660 -1.050 17818 2723 1 6 . 1 1 28 28 LYS CA C 28 54.500 54.500 54.477 0.023 17818 2724 1 6 . 1 1 28 28 LYS CB C 28 35.700 35.700 35.769 -0.069 17818 2725 1 6 . 1 1 28 28 LYS H H 28 8.810 8.810 8.445 0.365 17818 2726 1 6 . 1 1 29 29 LYS N N 29 128.100 128.100 124.703 3.397 17818 2727 1 6 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.556 0.474 17818 2728 1 6 . 1 1 29 29 LYS CA C 29 55.000 55.000 55.838 -0.838 17818 2729 1 6 . 1 1 29 29 LYS CB C 29 36.200 36.200 35.523 0.677 17818 2730 1 6 . 1 1 29 29 LYS H H 29 8.850 8.850 9.001 -0.151 17818 2731 1 6 . 1 1 30 30 VAL N N 30 127.200 127.200 127.806 -0.606 17818 2732 1 6 . 1 1 30 30 VAL HA H 30 3.660 3.660 3.945 -0.285 17818 2733 1 6 . 1 1 30 30 VAL CA C 30 64.800 64.800 63.297 1.503 17818 2734 1 6 . 1 1 30 30 VAL CB C 30 31.600 31.600 32.493 -0.893 17818 2735 1 6 . 1 1 30 30 VAL H H 30 9.170 9.170 8.816 0.354 17818 2736 1 6 . 1 1 31 31 LEU N N 31 129.800 129.800 130.228 -0.428 17818 2737 1 6 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.539 -0.099 17818 2738 1 6 . 1 1 31 31 LEU CA C 31 56.000 56.000 56.425 -0.425 17818 2739 1 6 . 1 1 31 31 LEU CB C 31 41.800 41.800 42.416 -0.616 17818 2740 1 6 . 1 1 31 31 LEU H H 31 9.020 9.020 8.844 0.176 17818 2741 1 6 . 1 1 32 32 THR N N 32 115.700 115.700 114.788 0.912 17818 2742 1 6 . 1 1 32 32 THR CA C 32 59.300 59.300 60.084 -0.784 17818 2743 1 6 . 1 1 32 32 THR CB C 32 72.500 72.500 70.424 2.076 17818 2744 1 6 . 1 1 32 32 THR H H 32 8.220 8.220 8.083 0.137 17818 2745 1 6 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.681 -0.391 17818 2746 1 6 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.412 0.588 17818 2747 1 6 . 1 1 33 33 PRO CB C 33 32.400 32.400 32.163 0.237 17818 2748 1 6 . 1 1 34 34 GLY N N 34 109.400 109.400 111.647 -2.247 17818 2749 1 6 . 1 1 34 34 GLY CA C 34 44.200 44.200 44.033 0.167 17818 2750 1 6 . 1 1 34 34 GLY H H 34 9.010 9.010 8.347 0.663 17818 2751 1 6 . 1 1 35 35 ASP N N 35 119.400 119.400 121.029 -1.629 17818 2752 1 6 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.403 -0.073 17818 2753 1 6 . 1 1 35 35 ASP CA C 35 54.700 54.700 57.509 -2.809 17818 2754 1 6 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.287 -1.887 17818 2755 1 6 . 1 1 35 35 ASP H H 35 8.370 8.370 8.427 -0.057 17818 2756 1 6 . 1 1 36 36 GLY N N 36 107.900 107.900 107.422 0.478 17818 2757 1 6 . 1 1 36 36 GLY CA C 36 46.000 46.000 46.729 -0.729 17818 2758 1 6 . 1 1 36 36 GLY H H 36 8.750 8.750 8.534 0.216 17818 2759 1 6 . 1 1 37 37 VAL N N 37 116.200 116.200 117.403 -1.203 17818 2760 1 6 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.137 0.363 17818 2761 1 6 . 1 1 37 37 VAL CA C 37 62.500 62.500 63.469 -0.969 17818 2762 1 6 . 1 1 37 37 VAL CB C 37 35.900 35.900 31.834 4.066 17818 2763 1 6 . 1 1 37 37 VAL H H 37 8.590 8.590 7.539 1.051 17818 2764 1 6 . 1 1 38 38 THR N N 38 126.400 126.400 112.979 13.421 17818 2765 1 6 . 1 1 38 38 THR HA H 38 4.210 4.210 4.306 -0.096 17818 2766 1 6 . 1 1 38 38 THR CA C 38 63.300 63.300 61.501 1.799 17818 2767 1 6 . 1 1 38 38 THR CB C 38 65.800 65.800 68.918 -3.118 17818 2768 1 6 . 1 1 38 38 THR H H 38 10.650 10.650 7.542 3.108 17818 2769 1 6 . 1 1 39 39 LYS N N 39 127.000 127.000 127.211 -0.211 17818 2770 1 6 . 1 1 39 39 LYS CA C 39 53.400 53.400 54.014 -0.614 17818 2771 1 6 . 1 1 39 39 LYS CB C 39 33.200 33.200 32.539 0.661 17818 2772 1 6 . 1 1 39 39 LYS H H 39 8.390 8.390 8.447 -0.057 17818 2773 1 6 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.869 -0.669 17818 2774 1 6 . 1 1 40 40 PRO CB C 40 33.300 33.300 31.659 1.641 17818 2775 1 6 . 1 1 41 41 GLN N N 41 120.900 120.900 124.547 -3.647 17818 2776 1 6 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.531 -0.071 17818 2777 1 6 . 1 1 41 41 GLN CA C 41 53.700 53.700 54.406 -0.706 17818 2778 1 6 . 1 1 41 41 GLN CB C 41 31.500 31.500 29.206 2.294 17818 2779 1 6 . 1 1 41 41 GLN H H 41 8.750 8.750 8.210 0.540 17818 2780 1 6 . 1 1 42 42 ALA N N 42 125.700 125.700 128.221 -2.521 17818 2781 1 6 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.041 -0.261 17818 2782 1 6 . 1 1 42 42 ALA CA C 42 53.400 53.400 52.581 0.819 17818 2783 1 6 . 1 1 42 42 ALA CB C 42 17.800 17.800 19.041 -1.241 17818 2784 1 6 . 1 1 42 42 ALA H H 42 8.550 8.550 8.600 -0.050 17818 2785 1 6 . 1 1 43 43 GLY N N 43 109.700 109.700 109.726 -0.026 17818 2786 1 6 . 1 1 43 43 GLY CA C 43 45.200 45.200 44.803 0.397 17818 2787 1 6 . 1 1 43 43 GLY H H 43 8.970 8.970 8.801 0.169 17818 2788 1 6 . 1 1 44 44 LYS N N 44 120.300 120.300 122.248 -1.948 17818 2789 1 6 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.431 0.239 17818 2790 1 6 . 1 1 44 44 LYS CA C 44 53.800 53.800 55.414 -1.614 17818 2791 1 6 . 1 1 44 44 LYS CB C 44 34.100 34.100 33.559 0.541 17818 2792 1 6 . 1 1 44 44 LYS H H 44 7.920 7.920 7.477 0.443 17818 2793 1 6 . 1 1 45 45 LYS N N 45 120.800 120.800 122.121 -1.321 17818 2794 1 6 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.328 0.192 17818 2795 1 6 . 1 1 45 45 LYS CA C 45 56.300 56.300 56.265 0.035 17818 2796 1 6 . 1 1 45 45 LYS CB C 45 32.900 32.900 31.880 1.020 17818 2797 1 6 . 1 1 45 45 LYS H H 45 8.340 8.340 8.449 -0.109 17818 2798 1 6 . 1 1 46 46 VAL N N 46 117.600 117.600 123.838 -6.238 17818 2799 1 6 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.416 0.144 17818 2800 1 6 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.557 -0.657 17818 2801 1 6 . 1 1 46 46 VAL CB C 46 33.900 33.900 34.361 -0.461 17818 2802 1 6 . 1 1 46 46 VAL H H 46 8.560 8.560 8.756 -0.196 17818 2803 1 6 . 1 1 47 47 THR N N 47 115.600 115.600 121.641 -6.041 17818 2804 1 6 . 1 1 47 47 THR HA H 47 5.100 5.100 4.947 0.153 17818 2805 1 6 . 1 1 47 47 THR CA C 47 61.600 61.600 62.054 -0.454 17818 2806 1 6 . 1 1 47 47 THR CB C 47 69.800 69.800 68.603 1.197 17818 2807 1 6 . 1 1 47 47 THR H H 47 8.130 8.130 8.512 -0.382 17818 2808 1 6 . 1 1 48 48 VAL N N 48 118.100 118.100 121.312 -3.212 17818 2809 1 6 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.282 0.508 17818 2810 1 6 . 1 1 48 48 VAL CA C 48 58.000 58.000 58.884 -0.884 17818 2811 1 6 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.542 -0.042 17818 2812 1 6 . 1 1 48 48 VAL H H 48 9.740 9.740 9.187 0.553 17818 2813 1 6 . 1 1 49 49 HIS N N 49 119.000 119.000 118.564 0.436 17818 2814 1 6 . 1 1 49 49 HIS HA H 49 5.810 5.810 5.112 0.698 17818 2815 1 6 . 1 1 49 49 HIS CA C 49 54.600 54.600 55.046 -0.446 17818 2816 1 6 . 1 1 49 49 HIS CB C 49 35.600 35.600 33.838 1.762 17818 2817 1 6 . 1 1 49 49 HIS H H 49 8.630 8.630 8.426 0.204 17818 2818 1 6 . 1 1 50 50 TYR N N 50 116.800 116.800 121.367 -4.567 17818 2819 1 6 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.483 0.747 17818 2820 1 6 . 1 1 50 50 TYR CA C 50 56.000 56.000 55.734 0.266 17818 2821 1 6 . 1 1 50 50 TYR CB C 50 43.500 43.500 41.552 1.948 17818 2822 1 6 . 1 1 50 50 TYR H H 50 9.870 9.870 8.645 1.225 17818 2823 1 6 . 1 1 51 51 ASP N N 51 120.400 120.400 121.739 -1.339 17818 2824 1 6 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.823 0.127 17818 2825 1 6 . 1 1 51 51 ASP CA C 51 54.400 54.400 53.289 1.111 17818 2826 1 6 . 1 1 51 51 ASP CB C 51 44.900 44.900 44.140 0.760 17818 2827 1 6 . 1 1 51 51 ASP H H 51 8.840 8.840 8.703 0.137 17818 2828 1 6 . 1 1 52 52 GLY N N 52 112.500 112.500 112.063 0.437 17818 2829 1 6 . 1 1 52 52 GLY CA C 52 45.300 45.300 44.775 0.525 17818 2830 1 6 . 1 1 52 52 GLY H H 52 9.130 9.130 8.258 0.872 17818 2831 1 6 . 1 1 53 53 ARG N N 53 125.200 125.200 121.308 3.892 17818 2832 1 6 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.399 0.631 17818 2833 1 6 . 1 1 53 53 ARG CA C 53 53.900 53.900 55.459 -1.559 17818 2834 1 6 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.453 0.347 17818 2835 1 6 . 1 1 53 53 ARG H H 53 9.370 9.370 8.329 1.041 17818 2836 1 6 . 1 1 54 54 PHE N N 54 119.400 119.400 122.369 -2.969 17818 2837 1 6 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.923 -0.683 17818 2838 1 6 . 1 1 54 54 PHE CA C 54 57.300 57.300 56.461 0.839 17818 2839 1 6 . 1 1 54 54 PHE CB C 54 37.700 37.700 38.937 -1.237 17818 2840 1 6 . 1 1 54 54 PHE H H 54 8.770 8.770 9.220 -0.450 17818 2841 1 6 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.267 0.013 17818 2842 1 6 . 1 1 55 55 PRO CA C 55 65.700 65.700 64.676 1.024 17818 2843 1 6 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.790 0.010 17818 2844 1 6 . 1 1 56 56 ASP N N 56 113.600 113.600 117.930 -4.330 17818 2845 1 6 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.543 -0.073 17818 2846 1 6 . 1 1 56 56 ASP CA C 56 53.900 53.900 55.055 -1.155 17818 2847 1 6 . 1 1 56 56 ASP CB C 56 39.800 39.800 40.802 -1.002 17818 2848 1 6 . 1 1 56 56 ASP H H 56 7.780 7.780 8.156 -0.376 17818 2849 1 6 . 1 1 57 57 GLY N N 57 108.700 108.700 107.737 0.963 17818 2850 1 6 . 1 1 57 57 GLY CA C 57 44.900 44.900 44.566 0.334 17818 2851 1 6 . 1 1 57 57 GLY H H 57 8.440 8.440 7.851 0.589 17818 2852 1 6 . 1 1 58 58 LYS N N 58 122.800 122.800 123.261 -0.461 17818 2853 1 6 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.279 -0.029 17818 2854 1 6 . 1 1 58 58 LYS CA C 58 57.500 57.500 57.315 0.185 17818 2855 1 6 . 1 1 58 58 LYS CB C 58 32.600 32.600 32.756 -0.156 17818 2856 1 6 . 1 1 58 58 LYS H H 58 8.230 8.230 8.386 -0.156 17818 2857 1 6 . 1 1 59 59 GLN N N 59 125.800 125.800 121.816 3.984 17818 2858 1 6 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.659 -0.209 17818 2859 1 6 . 1 1 59 59 GLN CA C 59 56.300 56.300 54.690 1.610 17818 2860 1 6 . 1 1 59 59 GLN CB C 59 30.900 30.900 30.876 0.024 17818 2861 1 6 . 1 1 59 59 GLN H H 59 8.810 8.810 8.343 0.467 17818 2862 1 6 . 1 1 60 60 PHE N N 60 121.200 121.200 118.513 2.687 17818 2863 1 6 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.732 0.368 17818 2864 1 6 . 1 1 60 60 PHE CA C 60 56.500 56.500 58.830 -2.330 17818 2865 1 6 . 1 1 60 60 PHE CB C 60 40.900 40.900 39.798 1.101 17818 2866 1 6 . 1 1 60 60 PHE H H 60 8.340 8.340 8.370 -0.030 17818 2867 1 6 . 1 1 61 61 ASP N N 61 119.100 119.100 118.395 0.705 17818 2868 1 6 . 1 1 61 61 ASP CA C 61 54.700 54.700 53.897 0.803 17818 2869 1 6 . 1 1 61 61 ASP CB C 61 44.200 44.200 43.387 0.813 17818 2870 1 6 . 1 1 61 61 ASP H H 61 7.030 7.030 7.046 -0.016 17818 2871 1 6 . 1 1 62 62 SER N N 62 117.400 117.400 119.873 -2.473 17818 2872 1 6 . 1 1 62 62 SER CA C 62 57.000 57.000 57.749 -0.749 17818 2873 1 6 . 1 1 62 62 SER CB C 62 64.800 64.800 63.043 1.757 17818 2874 1 6 . 1 1 62 62 SER H H 62 8.100 8.100 8.608 -0.508 17818 2875 1 6 . 1 1 63 63 SER N N 63 123.600 123.600 125.186 -1.586 17818 2876 1 6 . 1 1 63 63 SER HA H 63 4.200 4.200 4.460 -0.260 17818 2877 1 6 . 1 1 63 63 SER CA C 63 61.300 61.300 60.814 0.486 17818 2878 1 6 . 1 1 63 63 SER CB C 63 61.300 61.300 63.211 -1.911 17818 2879 1 6 . 1 1 63 63 SER H H 63 8.070 8.070 8.868 -0.798 17818 2880 1 6 . 1 1 64 64 ARG N N 64 124.000 124.000 121.080 2.920 17818 2881 1 6 . 1 1 64 64 ARG HA H 64 3.620 3.620 4.449 -0.829 17818 2882 1 6 . 1 1 64 64 ARG CA C 64 59.300 59.300 58.515 0.785 17818 2883 1 6 . 1 1 64 64 ARG CB C 64 28.800 28.800 29.388 -0.588 17818 2884 1 6 . 1 1 64 64 ARG H H 64 8.810 8.810 7.977 0.833 17818 2885 1 6 . 1 1 65 65 SER N N 65 114.600 114.600 115.415 -0.815 17818 2886 1 6 . 1 1 65 65 SER HA H 65 4.190 4.190 4.290 -0.100 17818 2887 1 6 . 1 1 65 65 SER CA C 65 60.700 60.700 60.691 0.009 17818 2888 1 6 . 1 1 65 65 SER CB C 65 62.700 62.700 63.153 -0.453 17818 2889 1 6 . 1 1 65 65 SER H H 65 7.800 7.800 7.993 -0.193 17818 2890 1 6 . 1 1 66 66 ARG N N 66 118.000 118.000 118.566 -0.566 17818 2891 1 6 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.288 0.132 17818 2892 1 6 . 1 1 66 66 ARG CA C 66 57.100 57.100 56.315 0.785 17818 2893 1 6 . 1 1 66 66 ARG CB C 66 31.500 31.500 30.108 1.392 17818 2894 1 6 . 1 1 66 66 ARG H H 66 7.110 7.110 7.427 -0.317 17818 2895 1 6 . 1 1 67 67 GLY N N 67 106.700 106.700 108.937 -2.237 17818 2896 1 6 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.778 0.022 17818 2897 1 6 . 1 1 67 67 GLY H H 67 7.800 7.800 7.831 -0.031 17818 2898 1 6 . 1 1 68 68 LYS N N 68 117.600 117.600 121.319 -3.719 17818 2899 1 6 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.529 0.481 17818 2900 1 6 . 1 1 68 68 LYS CA C 68 53.100 53.100 53.066 0.033 17818 2901 1 6 . 1 1 68 68 LYS CB C 68 34.900 34.900 33.104 1.796 17818 2902 1 6 . 1 1 68 68 LYS H H 68 7.440 7.440 7.666 -0.226 17818 2903 1 6 . 1 1 69 69 PRO HA H 69 4.060 4.060 4.333 -0.273 17818 2904 1 6 . 1 1 69 69 PRO CA C 69 62.700 62.700 62.135 0.565 17818 2905 1 6 . 1 1 69 69 PRO CB C 69 32.300 32.300 32.583 -0.283 17818 2906 1 6 . 1 1 70 70 PHE N N 70 123.200 123.200 120.981 2.219 17818 2907 1 6 . 1 1 70 70 PHE HA H 70 5.040 5.040 5.016 0.024 17818 2908 1 6 . 1 1 70 70 PHE CA C 70 57.100 57.100 56.984 0.116 17818 2909 1 6 . 1 1 70 70 PHE CB C 70 42.900 42.900 43.234 -0.334 17818 2910 1 6 . 1 1 70 70 PHE H H 70 9.180 9.180 8.933 0.247 17818 2911 1 6 . 1 1 71 71 GLN N N 71 126.000 126.000 118.207 7.793 17818 2912 1 6 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.603 0.147 17818 2913 1 6 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.711 -1.411 17818 2914 1 6 . 1 1 71 71 GLN CB C 71 32.900 32.900 33.065 -0.165 17818 2915 1 6 . 1 1 71 71 GLN H H 71 8.020 8.020 8.606 -0.586 17818 2916 1 6 . 1 1 72 72 PHE N N 72 116.800 116.800 117.067 -0.267 17818 2917 1 6 . 1 1 72 72 PHE HA H 72 4.700 4.700 4.994 -0.294 17818 2918 1 6 . 1 1 72 72 PHE CA C 72 55.500 55.500 57.004 -1.504 17818 2919 1 6 . 1 1 72 72 PHE CB C 72 40.900 40.900 40.783 0.117 17818 2920 1 6 . 1 1 72 72 PHE H H 72 8.110 8.110 9.033 -0.923 17818 2921 1 6 . 1 1 73 73 THR N N 73 118.800 118.800 118.867 -0.067 17818 2922 1 6 . 1 1 73 73 THR HA H 73 3.960 3.960 4.450 -0.490 17818 2923 1 6 . 1 1 73 73 THR CA C 73 62.600 62.600 63.587 -0.987 17818 2924 1 6 . 1 1 73 73 THR CB C 73 67.500 67.500 68.962 -1.462 17818 2925 1 6 . 1 1 73 73 THR H H 73 9.080 9.080 8.823 0.257 17818 2926 1 6 . 1 1 74 74 LEU N N 74 132.500 132.500 128.939 3.561 17818 2927 1 6 . 1 1 74 74 LEU HA H 74 4.140 4.140 4.015 0.125 17818 2928 1 6 . 1 1 74 74 LEU CA C 74 56.800 56.800 55.453 1.347 17818 2929 1 6 . 1 1 74 74 LEU CB C 74 41.800 41.800 42.666 -0.867 17818 2930 1 6 . 1 1 74 74 LEU H H 74 8.220 8.220 8.296 -0.076 17818 2931 1 6 . 1 1 75 75 GLY N N 75 118.100 118.100 114.745 3.355 17818 2932 1 6 . 1 1 75 75 GLY CA C 75 46.200 46.200 45.345 0.855 17818 2933 1 6 . 1 1 75 75 GLY H H 75 9.850 9.850 9.276 0.574 17818 2934 1 6 . 1 1 76 76 ALA N N 76 120.600 120.600 121.363 -0.763 17818 2935 1 6 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.749 -0.249 17818 2936 1 6 . 1 1 76 76 ALA CA C 76 51.900 51.900 51.530 0.370 17818 2937 1 6 . 1 1 76 76 ALA CB C 76 20.200 20.200 21.256 -1.056 17818 2938 1 6 . 1 1 76 76 ALA H H 76 7.550 7.550 7.572 -0.022 17818 2939 1 6 . 1 1 77 77 GLY N N 77 110.500 110.500 107.242 3.258 17818 2940 1 6 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.546 0.854 17818 2941 1 6 . 1 1 77 77 GLY H H 77 8.790 8.790 8.633 0.157 17818 2942 1 6 . 1 1 78 78 GLU N N 78 119.400 119.400 120.742 -1.342 17818 2943 1 6 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.348 -0.198 17818 2944 1 6 . 1 1 78 78 GLU CA C 78 57.200 57.200 57.306 -0.106 17818 2945 1 6 . 1 1 78 78 GLU CB C 78 30.900 30.900 30.486 0.413 17818 2946 1 6 . 1 1 78 78 GLU H H 78 9.240 9.240 8.272 0.968 17818 2947 1 6 . 1 1 79 79 VAL N N 79 108.600 108.600 113.318 -4.718 17818 2948 1 6 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.320 -0.100 17818 2949 1 6 . 1 1 79 79 VAL CA C 79 57.300 57.300 59.864 -2.564 17818 2950 1 6 . 1 1 79 79 VAL CB C 79 35.400 35.400 33.928 1.472 17818 2951 1 6 . 1 1 79 79 VAL H H 79 6.760 6.760 7.394 -0.634 17818 2952 1 6 . 1 1 80 80 ILE N N 80 111.800 111.800 115.215 -3.415 17818 2953 1 6 . 1 1 80 80 ILE HA H 80 3.800 3.800 4.008 -0.208 17818 2954 1 6 . 1 1 80 80 ILE CA C 80 61.800 61.800 61.397 0.403 17818 2955 1 6 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.084 -0.084 17818 2956 1 6 . 1 1 80 80 ILE H H 80 7.300 7.300 7.877 -0.577 17818 2957 1 6 . 1 1 81 81 LYS N N 81 124.700 124.700 126.813 -2.113 17818 2958 1 6 . 1 1 81 81 LYS HA H 81 4.160 4.160 4.043 0.117 17818 2959 1 6 . 1 1 81 81 LYS CA C 81 59.700 59.700 58.994 0.706 17818 2960 1 6 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.658 1.142 17818 2961 1 6 . 1 1 81 81 LYS H H 81 8.880 8.880 8.684 0.196 17818 2962 1 6 . 1 1 82 82 GLY N N 82 101.700 101.700 107.226 -5.526 17818 2963 1 6 . 1 1 82 82 GLY CA C 82 47.300 47.300 47.279 0.021 17818 2964 1 6 . 1 1 82 82 GLY H H 82 9.580 9.580 7.970 1.610 17818 2965 1 6 . 1 1 83 83 TRP N N 83 119.300 119.300 122.045 -2.745 17818 2966 1 6 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.576 -0.566 17818 2967 1 6 . 1 1 83 83 TRP CA C 83 59.300 59.300 57.491 1.809 17818 2968 1 6 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.632 0.468 17818 2969 1 6 . 1 1 83 83 TRP H H 83 7.450 7.450 7.535 -0.085 17818 2970 1 6 . 1 1 84 84 ASP N N 84 120.900 120.900 120.202 0.698 17818 2971 1 6 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.560 -0.560 17818 2972 1 6 . 1 1 84 84 ASP CA C 84 58.200 58.200 57.849 0.351 17818 2973 1 6 . 1 1 84 84 ASP CB C 84 41.000 41.000 41.126 -0.126 17818 2974 1 6 . 1 1 84 84 ASP H H 84 7.120 7.120 8.486 -1.366 17818 2975 1 6 . 1 1 85 85 GLN N N 85 114.500 114.500 118.545 -4.045 17818 2976 1 6 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.150 -0.150 17818 2977 1 6 . 1 1 85 85 GLN CA C 85 58.200 58.200 58.379 -0.179 17818 2978 1 6 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.922 -0.023 17818 2979 1 6 . 1 1 85 85 GLN H H 85 8.360 8.360 8.331 0.029 17818 2980 1 6 . 1 1 86 86 GLY N N 86 106.300 106.300 108.989 -2.689 17818 2981 1 6 . 1 1 86 86 GLY CA C 86 47.700 47.700 46.975 0.725 17818 2982 1 6 . 1 1 86 86 GLY H H 86 7.960 7.960 8.105 -0.145 17818 2983 1 6 . 1 1 87 87 VAL N N 87 125.300 125.300 121.322 3.978 17818 2984 1 6 . 1 1 87 87 VAL HA H 87 3.630 3.630 3.974 -0.344 17818 2985 1 6 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.123 2.277 17818 2986 1 6 . 1 1 87 87 VAL CB C 87 30.300 30.300 32.450 -2.150 17818 2987 1 6 . 1 1 87 87 VAL H H 87 9.090 9.090 8.266 0.824 17818 2988 1 6 . 1 1 88 88 ALA N N 88 116.500 116.500 122.531 -6.031 17818 2989 1 6 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.121 -0.131 17818 2990 1 6 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.837 -0.537 17818 2991 1 6 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.413 0.187 17818 2992 1 6 . 1 1 88 88 ALA H H 88 6.750 6.750 7.904 -1.154 17818 2993 1 6 . 1 1 89 89 THR N N 89 105.500 105.500 112.394 -6.894 17818 2994 1 6 . 1 1 89 89 THR HA H 89 4.520 4.520 4.217 0.303 17818 2995 1 6 . 1 1 89 89 THR CA C 89 62.300 62.300 62.293 0.007 17818 2996 1 6 . 1 1 89 89 THR CB C 89 71.100 71.100 68.842 2.258 17818 2997 1 6 . 1 1 89 89 THR H H 89 7.400 7.400 7.864 -0.464 17818 2998 1 6 . 1 1 90 90 MET N N 90 122.400 122.400 118.090 4.310 17818 2999 1 6 . 1 1 90 90 MET CA C 90 56.200 56.200 54.467 1.733 17818 3000 1 6 . 1 1 90 90 MET CB C 90 36.800 36.800 36.309 0.492 17818 3001 1 6 . 1 1 90 90 MET H H 90 7.550 7.550 7.425 0.125 17818 3002 1 6 . 1 1 91 91 THR N N 91 105.200 105.200 109.247 -4.047 17818 3003 1 6 . 1 1 91 91 THR HA H 91 5.120 5.120 4.635 0.485 17818 3004 1 6 . 1 1 91 91 THR CA C 91 59.800 59.800 59.608 0.192 17818 3005 1 6 . 1 1 91 91 THR CB C 91 71.900 71.900 72.138 -0.238 17818 3006 1 6 . 1 1 91 91 THR H H 91 7.350 7.350 8.431 -1.081 17818 3007 1 6 . 1 1 92 92 LEU N N 92 121.200 121.200 121.000 0.200 17818 3008 1 6 . 1 1 92 92 LEU HA H 92 3.600 3.600 3.938 -0.338 17818 3009 1 6 . 1 1 92 92 LEU CA C 92 58.100 58.100 55.901 2.199 17818 3010 1 6 . 1 1 92 92 LEU CB C 92 43.400 43.400 43.020 0.380 17818 3011 1 6 . 1 1 92 92 LEU H H 92 8.180 8.180 8.291 -0.111 17818 3012 1 6 . 1 1 93 93 GLY N N 93 115.800 115.800 112.296 3.504 17818 3013 1 6 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.336 -0.636 17818 3014 1 6 . 1 1 93 93 GLY H H 93 8.490 8.490 8.868 -0.378 17818 3015 1 6 . 1 1 94 94 GLU N N 94 123.700 123.700 120.214 3.486 17818 3016 1 6 . 1 1 94 94 GLU HA H 94 4.290 4.290 4.919 -0.629 17818 3017 1 6 . 1 1 94 94 GLU CA C 94 56.100 56.100 54.659 1.441 17818 3018 1 6 . 1 1 94 94 GLU CB C 94 33.500 33.500 33.533 -0.033 17818 3019 1 6 . 1 1 94 94 GLU H H 94 8.650 8.650 7.580 1.070 17818 3020 1 6 . 1 1 95 95 LYS N N 95 124.200 124.200 125.279 -1.079 17818 3021 1 6 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.279 0.281 17818 3022 1 6 . 1 1 95 95 LYS CA C 95 54.600 54.600 54.944 -0.344 17818 3023 1 6 . 1 1 95 95 LYS CB C 95 35.300 35.300 35.985 -0.685 17818 3024 1 6 . 1 1 95 95 LYS H H 95 8.950 8.950 9.004 -0.054 17818 3025 1 6 . 1 1 96 96 ALA N N 96 129.100 129.100 129.377 -0.277 17818 3026 1 6 . 1 1 96 96 ALA HA H 96 4.990 4.990 5.004 -0.014 17818 3027 1 6 . 1 1 96 96 ALA CA C 96 50.500 50.500 50.608 -0.109 17818 3028 1 6 . 1 1 96 96 ALA CB C 96 23.900 23.900 23.122 0.778 17818 3029 1 6 . 1 1 96 96 ALA H H 96 9.530 9.530 9.213 0.317 17818 3030 1 6 . 1 1 97 97 LEU N N 97 122.200 122.200 123.440 -1.240 17818 3031 1 6 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.744 0.436 17818 3032 1 6 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.200 -1.200 17818 3033 1 6 . 1 1 97 97 LEU CB C 97 45.800 45.800 43.874 1.926 17818 3034 1 6 . 1 1 97 97 LEU H H 97 9.100 9.100 8.670 0.430 17818 3035 1 6 . 1 1 98 98 PHE N N 98 125.800 125.800 128.993 -3.193 17818 3036 1 6 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.562 0.138 17818 3037 1 6 . 1 1 98 98 PHE CA C 98 56.500 56.500 54.808 1.692 17818 3038 1 6 . 1 1 98 98 PHE CB C 98 42.300 42.300 43.741 -1.441 17818 3039 1 6 . 1 1 98 98 PHE H H 98 9.940 9.940 9.377 0.563 17818 3040 1 6 . 1 1 99 99 THR N N 99 121.600 121.600 123.925 -2.325 17818 3041 1 6 . 1 1 99 99 THR CA C 99 63.500 63.500 62.592 0.908 17818 3042 1 6 . 1 1 99 99 THR CB C 99 68.600 68.600 68.615 -0.015 17818 3043 1 6 . 1 1 99 99 THR H H 99 9.100 9.100 8.500 0.600 17818 3044 1 6 . 1 1 100 100 ILE N N 100 127.400 127.400 128.651 -1.251 17818 3045 1 6 . 1 1 100 100 ILE CA C 100 58.700 58.700 56.676 2.023 17818 3046 1 6 . 1 1 100 100 ILE CB C 100 39.400 39.400 37.226 2.174 17818 3047 1 6 . 1 1 100 100 ILE H H 100 9.880 9.880 8.700 1.180 17818 3048 1 6 . 1 1 101 101 PRO CA C 101 62.200 62.200 62.589 -0.389 17818 3049 1 6 . 1 1 101 101 PRO CB C 101 32.500 32.500 31.627 0.874 17818 3050 1 6 . 1 1 102 102 TYR N N 102 118.100 118.100 122.585 -4.485 17818 3051 1 6 . 1 1 102 102 TYR HA H 102 4.470 4.470 4.033 0.437 17818 3052 1 6 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.958 0.142 17818 3053 1 6 . 1 1 102 102 TYR CB C 102 37.000 37.000 37.289 -0.289 17818 3054 1 6 . 1 1 102 102 TYR H H 102 8.450 8.450 8.159 0.291 17818 3055 1 6 . 1 1 103 103 GLN N N 103 123.800 123.800 116.980 6.820 17818 3056 1 6 . 1 1 103 103 GLN HA H 103 4.050 4.050 4.082 -0.032 17818 3057 1 6 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.152 2.348 17818 3058 1 6 . 1 1 103 103 GLN CB C 103 27.300 27.300 27.636 -0.336 17818 3059 1 6 . 1 1 103 103 GLN H H 103 9.080 9.080 7.628 1.452 17818 3060 1 6 . 1 1 104 104 LEU N N 104 116.800 116.800 118.855 -2.055 17818 3061 1 6 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.533 -0.013 17818 3062 1 6 . 1 1 104 104 LEU CA C 104 53.100 53.100 54.012 -0.912 17818 3063 1 6 . 1 1 104 104 LEU CB C 104 43.400 43.400 42.012 1.388 17818 3064 1 6 . 1 1 104 104 LEU H H 104 7.790 7.790 7.412 0.378 17818 3065 1 6 . 1 1 105 105 ALA N N 105 125.400 125.400 120.341 5.059 17818 3066 1 6 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.440 0.030 17818 3067 1 6 . 1 1 105 105 ALA CA C 105 51.000 51.000 51.699 -0.699 17818 3068 1 6 . 1 1 105 105 ALA CB C 105 18.900 18.900 19.973 -1.073 17818 3069 1 6 . 1 1 105 105 ALA H H 105 7.780 7.780 7.356 0.424 17818 3070 1 6 . 1 1 106 106 TYR N N 106 122.000 122.000 118.377 3.623 17818 3071 1 6 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.178 0.432 17818 3072 1 6 . 1 1 106 106 TYR CA C 106 59.300 59.300 59.477 -0.177 17818 3073 1 6 . 1 1 106 106 TYR CB C 106 37.400 37.400 37.692 -0.292 17818 3074 1 6 . 1 1 106 106 TYR H H 106 9.430 9.430 8.638 0.792 17818 3075 1 6 . 1 1 107 107 GLY N N 107 105.500 105.500 107.495 -1.995 17818 3076 1 6 . 1 1 107 107 GLY CA C 107 46.500 46.500 45.810 0.690 17818 3077 1 6 . 1 1 107 107 GLY H H 107 8.490 8.490 7.699 0.791 17818 3078 1 6 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.247 -0.737 17818 3079 1 6 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.570 -0.070 17818 3080 1 6 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.733 -0.133 17818 3081 1 6 . 1 1 109 109 ARG N N 109 115.900 115.900 116.301 -0.401 17818 3082 1 6 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.290 -0.110 17818 3083 1 6 . 1 1 109 109 ARG CA C 109 57.400 57.400 55.346 2.054 17818 3084 1 6 . 1 1 109 109 ARG CB C 109 30.700 30.700 31.427 -0.727 17818 3085 1 6 . 1 1 109 109 ARG H H 109 8.840 8.840 7.701 1.139 17818 3086 1 6 . 1 1 110 110 GLY N N 110 130.700 130.700 107.467 23.233 17818 3087 1 6 . 1 1 110 110 GLY CA C 110 44.800 44.800 45.495 -0.695 17818 3088 1 6 . 1 1 110 110 GLY H H 110 7.140 7.140 7.777 -0.637 17818 3089 1 6 . 1 1 111 111 TYR N N 111 119.700 119.700 118.263 1.437 17818 3090 1 6 . 1 1 111 111 TYR CA C 111 54.500 54.500 58.963 -4.463 17818 3091 1 6 . 1 1 111 111 TYR CB C 111 38.600 38.600 38.320 0.280 17818 3092 1 6 . 1 1 111 111 TYR H H 111 8.570 8.570 7.880 0.690 17818 3093 1 6 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.779 -0.979 17818 3094 1 6 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.729 2.571 17818 3095 1 6 . 1 1 114 114 VAL N N 114 122.900 122.900 116.856 6.044 17818 3096 1 6 . 1 1 114 114 VAL HA H 114 3.850 3.850 3.947 -0.097 17818 3097 1 6 . 1 1 114 114 VAL CA C 114 65.600 65.600 64.345 1.255 17818 3098 1 6 . 1 1 114 114 VAL CB C 114 33.000 33.000 32.233 0.767 17818 3099 1 6 . 1 1 114 114 VAL H H 114 7.870 7.870 7.931 -0.061 17818 3100 1 6 . 1 1 115 115 ILE N N 115 118.100 118.100 119.982 -1.882 17818 3101 1 6 . 1 1 115 115 ILE CA C 115 56.300 56.300 57.303 -1.003 17818 3102 1 6 . 1 1 115 115 ILE CB C 115 37.700 37.700 37.658 0.042 17818 3103 1 6 . 1 1 115 115 ILE H H 115 7.550 7.550 7.791 -0.241 17818 3104 1 6 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.240 -0.620 17818 3105 1 6 . 1 1 117 117 PRO CA C 117 63.400 63.400 63.791 -0.391 17818 3106 1 6 . 1 1 117 117 PRO CB C 117 32.800 32.800 31.942 0.858 17818 3107 1 6 . 1 1 118 118 LYS N N 118 115.100 115.100 114.937 0.163 17818 3108 1 6 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.123 -0.543 17818 3109 1 6 . 1 1 118 118 LYS CA C 118 57.900 57.900 56.964 0.936 17818 3110 1 6 . 1 1 118 118 LYS CB C 118 29.700 29.700 29.874 -0.174 17818 3111 1 6 . 1 1 118 118 LYS H H 118 7.330 7.330 8.276 -0.946 17818 3112 1 6 . 1 1 119 119 ALA N N 119 121.900 121.900 122.586 -0.686 17818 3113 1 6 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.402 0.048 17818 3114 1 6 . 1 1 119 119 ALA CA C 119 52.700 52.700 51.868 0.832 17818 3115 1 6 . 1 1 119 119 ALA CB C 119 20.100 20.100 19.059 1.041 17818 3116 1 6 . 1 1 119 119 ALA H H 119 7.900 7.900 7.793 0.107 17818 3117 1 6 . 1 1 120 120 THR N N 120 121.800 121.800 121.065 0.735 17818 3118 1 6 . 1 1 120 120 THR CA C 120 63.100 63.100 63.505 -0.406 17818 3119 1 6 . 1 1 120 120 THR CB C 120 69.800 69.800 69.719 0.081 17818 3120 1 6 . 1 1 120 120 THR H H 120 8.170 8.170 8.133 0.037 17818 3121 1 6 . 1 1 121 121 LEU N N 121 124.200 124.200 127.005 -2.805 17818 3122 1 6 . 1 1 121 121 LEU CA C 121 53.100 53.100 53.215 -0.115 17818 3123 1 6 . 1 1 121 121 LEU CB C 121 46.300 46.300 46.562 -0.262 17818 3124 1 6 . 1 1 121 121 LEU H H 121 8.640 8.640 8.966 -0.326 17818 3125 1 6 . 1 1 122 122 VAL N N 122 122.200 122.200 122.017 0.183 17818 3126 1 6 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.310 0.980 17818 3127 1 6 . 1 1 122 122 VAL CA C 122 60.700 60.700 61.944 -1.244 17818 3128 1 6 . 1 1 122 122 VAL CB C 122 33.300 33.300 32.878 0.422 17818 3129 1 6 . 1 1 122 122 VAL H H 122 8.860 8.860 8.464 0.396 17818 3130 1 6 . 1 1 123 123 PHE N N 123 122.900 122.900 125.133 -2.233 17818 3131 1 6 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.184 0.216 17818 3132 1 6 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.324 -0.924 17818 3133 1 6 . 1 1 123 123 PHE CB C 123 44.000 44.000 43.211 0.789 17818 3134 1 6 . 1 1 123 123 PHE H H 123 9.620 9.620 9.314 0.306 17818 3135 1 6 . 1 1 124 124 GLU N N 124 125.500 125.500 124.215 1.285 17818 3136 1 6 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.714 1.186 17818 3137 1 6 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.635 -1.035 17818 3138 1 6 . 1 1 124 124 GLU CB C 124 31.800 31.800 30.357 1.443 17818 3139 1 6 . 1 1 124 124 GLU H H 124 9.180 9.180 8.935 0.245 17818 3140 1 6 . 1 1 125 125 VAL N N 125 128.100 128.100 120.162 7.938 17818 3141 1 6 . 1 1 125 125 VAL CA C 125 61.300 61.300 60.662 0.638 17818 3142 1 6 . 1 1 125 125 VAL CB C 125 35.800 35.800 33.595 2.205 17818 3143 1 6 . 1 1 125 125 VAL H H 125 9.600 9.600 9.166 0.434 17818 3144 1 6 . 1 1 126 126 GLU N N 126 128.500 128.500 126.847 1.653 17818 3145 1 6 . 1 1 126 126 GLU HA H 126 5.630 5.630 5.164 0.466 17818 3146 1 6 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.455 -0.955 17818 3147 1 6 . 1 1 126 126 GLU CB C 126 34.000 34.000 33.999 0.001 17818 3148 1 6 . 1 1 126 126 GLU H H 126 9.420 9.420 8.737 0.683 17818 3149 1 6 . 1 1 127 127 LEU N N 127 127.900 127.900 128.579 -0.679 17818 3150 1 6 . 1 1 127 127 LEU CA C 127 55.100 55.100 53.901 1.199 17818 3151 1 6 . 1 1 127 127 LEU CB C 127 41.400 41.400 42.471 -1.071 17818 3152 1 6 . 1 1 127 127 LEU H H 127 8.720 8.720 8.940 -0.220 17818 3153 1 6 . 1 1 128 128 LEU N N 128 128.700 128.700 128.484 0.216 17818 3154 1 6 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.490 -0.090 17818 3155 1 6 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.248 0.652 17818 3156 1 6 . 1 1 128 128 LEU CB C 128 43.700 43.700 42.154 1.546 17818 3157 1 6 . 1 1 128 128 LEU H H 128 8.690 8.690 8.790 -0.100 17818 3158 1 6 . 1 1 129 129 ALA N N 129 118.600 118.600 118.226 0.374 17818 3159 1 6 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.519 -0.059 17818 3160 1 6 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.646 1.154 17818 3161 1 6 . 1 1 129 129 ALA CB C 129 21.100 21.100 22.376 -1.276 17818 3162 1 6 . 1 1 129 129 ALA H H 129 7.810 7.810 7.934 -0.124 17818 3163 1 7 . 1 1 8 8 HIS CA C 8 54.700 54.700 55.539 -0.839 17818 3164 1 7 . 1 1 8 8 HIS CB C 8 31.200 31.200 32.046 -0.846 17818 3165 1 7 . 1 1 9 9 MET N N 9 120.000 120.000 124.184 -4.184 17818 3166 1 7 . 1 1 9 9 MET HA H 9 4.280 4.280 4.199 0.081 17818 3167 1 7 . 1 1 9 9 MET CA C 9 55.500 55.500 55.328 0.172 17818 3168 1 7 . 1 1 9 9 MET CB C 9 32.500 32.500 31.432 1.068 17818 3169 1 7 . 1 1 9 9 MET H H 9 8.110 8.110 8.001 0.109 17818 3170 1 7 . 1 1 10 10 GLY N N 10 109.800 109.800 113.300 -3.500 17818 3171 1 7 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.916 0.384 17818 3172 1 7 . 1 1 10 10 GLY H H 10 8.440 8.440 8.445 -0.005 17818 3173 1 7 . 1 1 11 11 THR N N 11 113.600 113.600 112.328 1.272 17818 3174 1 7 . 1 1 11 11 THR HA H 11 4.330 4.330 4.355 -0.025 17818 3175 1 7 . 1 1 11 11 THR CA C 11 62.000 62.000 61.911 0.089 17818 3176 1 7 . 1 1 11 11 THR CB C 11 69.900 69.900 69.926 -0.026 17818 3177 1 7 . 1 1 11 11 THR H H 11 8.070 8.070 7.815 0.255 17818 3178 1 7 . 1 1 12 12 LEU N N 12 124.200 124.200 122.955 1.245 17818 3179 1 7 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.623 -0.303 17818 3180 1 7 . 1 1 12 12 LEU CA C 12 55.500 55.500 54.533 0.967 17818 3181 1 7 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.619 -0.519 17818 3182 1 7 . 1 1 12 12 LEU H H 12 8.380 8.380 8.354 0.026 17818 3183 1 7 . 1 1 13 13 GLU N N 13 121.600 121.600 121.993 -0.393 17818 3184 1 7 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.183 0.017 17818 3185 1 7 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.870 0.030 17818 3186 1 7 . 1 1 13 13 GLU CB C 13 30.000 30.000 29.948 0.052 17818 3187 1 7 . 1 1 13 13 GLU H H 13 8.430 8.430 8.603 -0.173 17818 3188 1 7 . 1 1 14 14 ALA N N 14 124.400 124.400 123.937 0.463 17818 3189 1 7 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.534 -0.264 17818 3190 1 7 . 1 1 14 14 ALA CA C 14 52.700 52.700 51.345 1.355 17818 3191 1 7 . 1 1 14 14 ALA CB C 14 19.100 19.100 20.773 -1.673 17818 3192 1 7 . 1 1 14 14 ALA H H 14 8.290 8.290 8.447 -0.157 17818 3193 1 7 . 1 1 15 15 GLN N N 15 119.100 119.100 121.597 -2.497 17818 3194 1 7 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.192 0.198 17818 3195 1 7 . 1 1 15 15 GLN CA C 15 56.000 56.000 56.580 -0.580 17818 3196 1 7 . 1 1 15 15 GLN CB C 15 29.400 29.400 28.202 1.198 17818 3197 1 7 . 1 1 15 15 GLN H H 15 8.370 8.370 8.576 -0.206 17818 3198 1 7 . 1 1 16 16 THR N N 16 114.900 114.900 118.365 -3.465 17818 3199 1 7 . 1 1 16 16 THR CA C 16 62.100 62.100 62.895 -0.795 17818 3200 1 7 . 1 1 16 16 THR CB C 16 69.800 69.800 69.127 0.673 17818 3201 1 7 . 1 1 16 16 THR H H 16 8.200 8.200 8.483 -0.283 17818 3202 1 7 . 1 1 17 17 GLN N N 17 122.200 122.200 119.908 2.292 17818 3203 1 7 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.603 -0.173 17818 3204 1 7 . 1 1 17 17 GLN CA C 17 55.600 55.600 55.166 0.434 17818 3205 1 7 . 1 1 17 17 GLN CB C 17 29.700 29.700 31.339 -1.639 17818 3206 1 7 . 1 1 17 17 GLN H H 17 8.420 8.420 7.459 0.961 17818 3207 1 7 . 1 1 18 18 GLY N N 18 110.100 110.100 110.833 -0.733 17818 3208 1 7 . 1 1 18 18 GLY CA C 18 44.600 44.600 45.578 -0.978 17818 3209 1 7 . 1 1 18 18 GLY H H 18 8.360 8.360 8.811 -0.451 17818 3210 1 7 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.456 -0.016 17818 3211 1 7 . 1 1 19 19 PRO CA C 19 63.600 63.600 62.351 1.249 17818 3212 1 7 . 1 1 19 19 PRO CB C 19 32.000 32.000 30.489 1.511 17818 3213 1 7 . 1 1 20 20 GLY N N 20 109.400 109.400 108.383 1.017 17818 3214 1 7 . 1 1 20 20 GLY CA C 20 45.300 45.300 45.249 0.051 17818 3215 1 7 . 1 1 20 20 GLY H H 20 8.630 8.630 7.812 0.818 17818 3216 1 7 . 1 1 21 21 SER N N 21 115.400 115.400 114.783 0.617 17818 3217 1 7 . 1 1 21 21 SER CA C 21 63.800 63.800 58.642 5.158 17818 3218 1 7 . 1 1 21 21 SER CB C 21 69.800 69.800 62.203 7.597 17818 3219 1 7 . 1 1 21 21 SER H H 21 4.180 4.180 8.404 -4.224 17818 3220 1 7 . 1 1 22 22 MET N N 22 121.900 121.900 117.604 4.296 17818 3221 1 7 . 1 1 22 22 MET CA C 22 55.500 55.500 56.379 -0.879 17818 3222 1 7 . 1 1 22 22 MET CB C 22 32.800 32.800 33.782 -0.982 17818 3223 1 7 . 1 1 22 22 MET H H 22 8.440 8.440 8.801 -0.361 17818 3224 1 7 . 1 1 23 23 SER N N 23 116.600 116.600 117.924 -1.324 17818 3225 1 7 . 1 1 23 23 SER HA H 23 4.400 4.400 4.796 -0.396 17818 3226 1 7 . 1 1 23 23 SER CA C 23 58.300 58.300 57.307 0.993 17818 3227 1 7 . 1 1 23 23 SER CB C 23 63.700 63.700 64.805 -1.105 17818 3228 1 7 . 1 1 23 23 SER H H 23 8.290 8.290 8.109 0.181 17818 3229 1 7 . 1 1 24 24 ALA N N 24 125.700 125.700 124.269 1.431 17818 3230 1 7 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.313 -0.023 17818 3231 1 7 . 1 1 24 24 ALA CA C 24 52.100 52.100 51.382 0.718 17818 3232 1 7 . 1 1 24 24 ALA CB C 24 19.300 19.300 18.698 0.602 17818 3233 1 7 . 1 1 24 24 ALA H H 24 8.200 8.200 8.393 -0.193 17818 3234 1 7 . 1 1 25 25 GLN N N 25 118.300 118.300 122.269 -3.969 17818 3235 1 7 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.535 -0.025 17818 3236 1 7 . 1 1 25 25 GLN CA C 25 54.200 54.200 54.564 -0.364 17818 3237 1 7 . 1 1 25 25 GLN CB C 25 31.300 31.300 30.789 0.511 17818 3238 1 7 . 1 1 25 25 GLN H H 25 8.280 8.280 8.458 -0.178 17818 3239 1 7 . 1 1 26 26 LEU N N 26 122.100 122.100 125.028 -2.928 17818 3240 1 7 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.521 -0.061 17818 3241 1 7 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.212 1.088 17818 3242 1 7 . 1 1 26 26 LEU CB C 26 43.500 43.500 43.549 -0.049 17818 3243 1 7 . 1 1 26 26 LEU H H 26 8.480 8.480 8.482 -0.002 17818 3244 1 7 . 1 1 27 27 GLU N N 27 125.300 125.300 126.277 -0.977 17818 3245 1 7 . 1 1 27 27 GLU CA C 27 55.300 55.300 55.296 0.004 17818 3246 1 7 . 1 1 27 27 GLU CB C 27 32.400 32.400 31.640 0.760 17818 3247 1 7 . 1 1 27 27 GLU H H 27 8.240 8.240 8.275 -0.035 17818 3248 1 7 . 1 1 28 28 LYS N N 28 125.000 125.000 124.400 0.600 17818 3249 1 7 . 1 1 28 28 LYS HA H 28 4.610 4.610 4.371 0.239 17818 3250 1 7 . 1 1 28 28 LYS CA C 28 54.500 54.500 55.319 -0.819 17818 3251 1 7 . 1 1 28 28 LYS CB C 28 35.700 35.700 32.493 3.207 17818 3252 1 7 . 1 1 28 28 LYS H H 28 8.810 8.810 8.464 0.346 17818 3253 1 7 . 1 1 29 29 LYS N N 29 128.100 128.100 126.552 1.548 17818 3254 1 7 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.521 0.509 17818 3255 1 7 . 1 1 29 29 LYS CA C 29 55.000 55.000 54.952 0.048 17818 3256 1 7 . 1 1 29 29 LYS CB C 29 36.200 36.200 34.284 1.916 17818 3257 1 7 . 1 1 29 29 LYS H H 29 8.850 8.850 8.715 0.135 17818 3258 1 7 . 1 1 30 30 VAL N N 30 127.200 127.200 127.365 -0.165 17818 3259 1 7 . 1 1 30 30 VAL HA H 30 3.660 3.660 3.978 -0.318 17818 3260 1 7 . 1 1 30 30 VAL CA C 30 64.800 64.800 63.513 1.287 17818 3261 1 7 . 1 1 30 30 VAL CB C 30 31.600 31.600 31.917 -0.317 17818 3262 1 7 . 1 1 30 30 VAL H H 30 9.170 9.170 8.838 0.332 17818 3263 1 7 . 1 1 31 31 LEU N N 31 129.800 129.800 130.343 -0.543 17818 3264 1 7 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.658 -0.218 17818 3265 1 7 . 1 1 31 31 LEU CA C 31 56.000 56.000 55.949 0.051 17818 3266 1 7 . 1 1 31 31 LEU CB C 31 41.800 41.800 43.854 -2.054 17818 3267 1 7 . 1 1 31 31 LEU H H 31 9.020 9.020 8.920 0.100 17818 3268 1 7 . 1 1 32 32 THR N N 32 115.700 115.700 115.531 0.169 17818 3269 1 7 . 1 1 32 32 THR CA C 32 59.300 59.300 60.333 -1.033 17818 3270 1 7 . 1 1 32 32 THR CB C 32 72.500 72.500 70.604 1.896 17818 3271 1 7 . 1 1 32 32 THR H H 32 8.220 8.220 8.120 0.100 17818 3272 1 7 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.793 -0.503 17818 3273 1 7 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.321 0.680 17818 3274 1 7 . 1 1 33 33 PRO CB C 33 32.400 32.400 32.303 0.097 17818 3275 1 7 . 1 1 34 34 GLY N N 34 109.400 109.400 110.435 -1.035 17818 3276 1 7 . 1 1 34 34 GLY CA C 34 44.200 44.200 43.720 0.480 17818 3277 1 7 . 1 1 34 34 GLY H H 34 9.010 9.010 8.350 0.660 17818 3278 1 7 . 1 1 35 35 ASP N N 35 119.400 119.400 120.445 -1.045 17818 3279 1 7 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.417 -0.087 17818 3280 1 7 . 1 1 35 35 ASP CA C 35 54.700 54.700 56.927 -2.227 17818 3281 1 7 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.592 -2.192 17818 3282 1 7 . 1 1 35 35 ASP H H 35 8.370 8.370 8.280 0.090 17818 3283 1 7 . 1 1 36 36 GLY N N 36 107.900 107.900 107.451 0.449 17818 3284 1 7 . 1 1 36 36 GLY CA C 36 46.000 46.000 46.457 -0.457 17818 3285 1 7 . 1 1 36 36 GLY H H 36 8.750 8.750 8.442 0.308 17818 3286 1 7 . 1 1 37 37 VAL N N 37 116.200 116.200 116.785 -0.585 17818 3287 1 7 . 1 1 37 37 VAL HA H 37 4.500 4.500 3.977 0.523 17818 3288 1 7 . 1 1 37 37 VAL CA C 37 62.500 62.500 63.452 -0.952 17818 3289 1 7 . 1 1 37 37 VAL CB C 37 35.900 35.900 31.260 4.640 17818 3290 1 7 . 1 1 37 37 VAL H H 37 8.590 8.590 7.806 0.784 17818 3291 1 7 . 1 1 38 38 THR N N 38 126.400 126.400 113.185 13.215 17818 3292 1 7 . 1 1 38 38 THR HA H 38 4.210 4.210 4.186 0.024 17818 3293 1 7 . 1 1 38 38 THR CA C 38 63.300 63.300 61.866 1.434 17818 3294 1 7 . 1 1 38 38 THR CB C 38 65.800 65.800 68.761 -2.961 17818 3295 1 7 . 1 1 38 38 THR H H 38 10.650 10.650 7.645 3.005 17818 3296 1 7 . 1 1 39 39 LYS N N 39 127.000 127.000 127.445 -0.445 17818 3297 1 7 . 1 1 39 39 LYS CA C 39 53.400 53.400 53.339 0.061 17818 3298 1 7 . 1 1 39 39 LYS CB C 39 33.200 33.200 32.532 0.668 17818 3299 1 7 . 1 1 39 39 LYS H H 39 8.390 8.390 8.530 -0.140 17818 3300 1 7 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.425 -0.225 17818 3301 1 7 . 1 1 40 40 PRO CB C 40 33.300 33.300 33.777 -0.477 17818 3302 1 7 . 1 1 41 41 GLN N N 41 120.900 120.900 116.015 4.885 17818 3303 1 7 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.518 -0.058 17818 3304 1 7 . 1 1 41 41 GLN CA C 41 53.700 53.700 54.600 -0.900 17818 3305 1 7 . 1 1 41 41 GLN CB C 41 31.500 31.500 30.431 1.069 17818 3306 1 7 . 1 1 41 41 GLN H H 41 8.750 8.750 8.065 0.685 17818 3307 1 7 . 1 1 42 42 ALA N N 42 125.700 125.700 122.439 3.261 17818 3308 1 7 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.151 -0.371 17818 3309 1 7 . 1 1 42 42 ALA CA C 42 53.400 53.400 52.178 1.222 17818 3310 1 7 . 1 1 42 42 ALA CB C 42 17.800 17.800 19.046 -1.246 17818 3311 1 7 . 1 1 42 42 ALA H H 42 8.550 8.550 8.364 0.186 17818 3312 1 7 . 1 1 43 43 GLY N N 43 109.700 109.700 106.486 3.214 17818 3313 1 7 . 1 1 43 43 GLY CA C 43 45.200 45.200 45.149 0.051 17818 3314 1 7 . 1 1 43 43 GLY H H 43 8.970 8.970 8.663 0.307 17818 3315 1 7 . 1 1 44 44 LYS N N 44 120.300 120.300 120.223 0.077 17818 3316 1 7 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.560 0.110 17818 3317 1 7 . 1 1 44 44 LYS CA C 44 53.800 53.800 53.792 0.008 17818 3318 1 7 . 1 1 44 44 LYS CB C 44 34.100 34.100 34.676 -0.577 17818 3319 1 7 . 1 1 44 44 LYS H H 44 7.920 7.920 7.665 0.255 17818 3320 1 7 . 1 1 45 45 LYS N N 45 120.800 120.800 122.821 -2.021 17818 3321 1 7 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.354 0.166 17818 3322 1 7 . 1 1 45 45 LYS CA C 45 56.300 56.300 55.971 0.329 17818 3323 1 7 . 1 1 45 45 LYS CB C 45 32.900 32.900 31.987 0.913 17818 3324 1 7 . 1 1 45 45 LYS H H 45 8.340 8.340 8.528 -0.188 17818 3325 1 7 . 1 1 46 46 VAL N N 46 117.600 117.600 123.448 -5.848 17818 3326 1 7 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.451 0.109 17818 3327 1 7 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.722 -0.822 17818 3328 1 7 . 1 1 46 46 VAL CB C 46 33.900 33.900 33.862 0.038 17818 3329 1 7 . 1 1 46 46 VAL H H 46 8.560 8.560 8.699 -0.139 17818 3330 1 7 . 1 1 47 47 THR N N 47 115.600 115.600 122.538 -6.938 17818 3331 1 7 . 1 1 47 47 THR HA H 47 5.100 5.100 4.744 0.356 17818 3332 1 7 . 1 1 47 47 THR CA C 47 61.600 61.600 62.804 -1.204 17818 3333 1 7 . 1 1 47 47 THR CB C 47 69.800 69.800 68.644 1.157 17818 3334 1 7 . 1 1 47 47 THR H H 47 8.130 8.130 8.530 -0.400 17818 3335 1 7 . 1 1 48 48 VAL N N 48 118.100 118.100 122.416 -4.316 17818 3336 1 7 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.274 0.516 17818 3337 1 7 . 1 1 48 48 VAL CA C 48 58.000 58.000 58.446 -0.446 17818 3338 1 7 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.292 0.208 17818 3339 1 7 . 1 1 48 48 VAL H H 48 9.740 9.740 9.183 0.557 17818 3340 1 7 . 1 1 49 49 HIS N N 49 119.000 119.000 118.023 0.977 17818 3341 1 7 . 1 1 49 49 HIS HA H 49 5.810 5.810 4.784 1.026 17818 3342 1 7 . 1 1 49 49 HIS CA C 49 54.600 54.600 54.341 0.259 17818 3343 1 7 . 1 1 49 49 HIS CB C 49 35.600 35.600 33.478 2.122 17818 3344 1 7 . 1 1 49 49 HIS H H 49 8.630 8.630 8.241 0.389 17818 3345 1 7 . 1 1 50 50 TYR N N 50 116.800 116.800 122.726 -5.926 17818 3346 1 7 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.464 0.766 17818 3347 1 7 . 1 1 50 50 TYR CA C 50 56.000 56.000 55.744 0.256 17818 3348 1 7 . 1 1 50 50 TYR CB C 50 43.500 43.500 41.691 1.809 17818 3349 1 7 . 1 1 50 50 TYR H H 50 9.870 9.870 8.721 1.149 17818 3350 1 7 . 1 1 51 51 ASP N N 51 120.400 120.400 120.156 0.244 17818 3351 1 7 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.852 0.098 17818 3352 1 7 . 1 1 51 51 ASP CA C 51 54.400 54.400 53.093 1.306 17818 3353 1 7 . 1 1 51 51 ASP CB C 51 44.900 44.900 44.295 0.605 17818 3354 1 7 . 1 1 51 51 ASP H H 51 8.840 8.840 8.546 0.294 17818 3355 1 7 . 1 1 52 52 GLY N N 52 112.500 112.500 112.021 0.479 17818 3356 1 7 . 1 1 52 52 GLY CA C 52 45.300 45.300 44.704 0.596 17818 3357 1 7 . 1 1 52 52 GLY H H 52 9.130 9.130 8.065 1.065 17818 3358 1 7 . 1 1 53 53 ARG N N 53 125.200 125.200 122.168 3.032 17818 3359 1 7 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.514 0.516 17818 3360 1 7 . 1 1 53 53 ARG CA C 53 53.900 53.900 55.286 -1.387 17818 3361 1 7 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.646 0.154 17818 3362 1 7 . 1 1 53 53 ARG H H 53 9.370 9.370 8.469 0.901 17818 3363 1 7 . 1 1 54 54 PHE N N 54 119.400 119.400 121.488 -2.088 17818 3364 1 7 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.972 -0.732 17818 3365 1 7 . 1 1 54 54 PHE CA C 54 57.300 57.300 56.247 1.053 17818 3366 1 7 . 1 1 54 54 PHE CB C 54 37.700 37.700 38.917 -1.218 17818 3367 1 7 . 1 1 54 54 PHE H H 54 8.770 8.770 9.120 -0.350 17818 3368 1 7 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.262 0.018 17818 3369 1 7 . 1 1 55 55 PRO CA C 55 65.700 65.700 65.009 0.691 17818 3370 1 7 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.318 0.482 17818 3371 1 7 . 1 1 56 56 ASP N N 56 113.600 113.600 115.677 -2.077 17818 3372 1 7 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.550 -0.080 17818 3373 1 7 . 1 1 56 56 ASP CA C 56 53.900 53.900 53.626 0.274 17818 3374 1 7 . 1 1 56 56 ASP CB C 56 39.800 39.800 40.451 -0.651 17818 3375 1 7 . 1 1 56 56 ASP H H 56 7.780 7.780 8.071 -0.291 17818 3376 1 7 . 1 1 57 57 GLY N N 57 108.700 108.700 109.827 -1.127 17818 3377 1 7 . 1 1 57 57 GLY CA C 57 44.900 44.900 44.839 0.061 17818 3378 1 7 . 1 1 57 57 GLY H H 57 8.440 8.440 7.931 0.509 17818 3379 1 7 . 1 1 58 58 LYS N N 58 122.800 122.800 121.860 0.940 17818 3380 1 7 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.320 -0.070 17818 3381 1 7 . 1 1 58 58 LYS CA C 58 57.500 57.500 56.886 0.614 17818 3382 1 7 . 1 1 58 58 LYS CB C 58 32.600 32.600 32.892 -0.292 17818 3383 1 7 . 1 1 58 58 LYS H H 58 8.230 8.230 8.142 0.088 17818 3384 1 7 . 1 1 59 59 GLN N N 59 125.800 125.800 122.218 3.582 17818 3385 1 7 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.927 -0.477 17818 3386 1 7 . 1 1 59 59 GLN CA C 59 56.300 56.300 55.279 1.022 17818 3387 1 7 . 1 1 59 59 GLN CB C 59 30.900 30.900 31.462 -0.562 17818 3388 1 7 . 1 1 59 59 GLN H H 59 8.810 8.810 8.356 0.454 17818 3389 1 7 . 1 1 60 60 PHE N N 60 121.200 121.200 118.333 2.867 17818 3390 1 7 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.579 0.521 17818 3391 1 7 . 1 1 60 60 PHE CA C 60 56.500 56.500 59.336 -2.836 17818 3392 1 7 . 1 1 60 60 PHE CB C 60 40.900 40.900 39.393 1.507 17818 3393 1 7 . 1 1 60 60 PHE H H 60 8.340 8.340 9.005 -0.665 17818 3394 1 7 . 1 1 61 61 ASP N N 61 119.100 119.100 116.318 2.782 17818 3395 1 7 . 1 1 61 61 ASP CA C 61 54.700 54.700 53.382 1.318 17818 3396 1 7 . 1 1 61 61 ASP CB C 61 44.200 44.200 42.788 1.412 17818 3397 1 7 . 1 1 61 61 ASP H H 61 7.030 7.030 6.707 0.323 17818 3398 1 7 . 1 1 62 62 SER N N 62 117.400 117.400 117.155 0.245 17818 3399 1 7 . 1 1 62 62 SER CA C 62 57.000 57.000 57.020 -0.020 17818 3400 1 7 . 1 1 62 62 SER CB C 62 64.800 64.800 62.620 2.180 17818 3401 1 7 . 1 1 62 62 SER H H 62 8.100 8.100 8.422 -0.322 17818 3402 1 7 . 1 1 63 63 SER N N 63 123.600 123.600 124.112 -0.512 17818 3403 1 7 . 1 1 63 63 SER HA H 63 4.200 4.200 4.150 0.050 17818 3404 1 7 . 1 1 63 63 SER CA C 63 61.300 61.300 61.542 -0.242 17818 3405 1 7 . 1 1 63 63 SER CB C 63 61.300 61.300 63.279 -1.979 17818 3406 1 7 . 1 1 63 63 SER H H 63 8.070 8.070 8.068 0.002 17818 3407 1 7 . 1 1 64 64 ARG N N 64 124.000 124.000 118.583 5.417 17818 3408 1 7 . 1 1 64 64 ARG HA H 64 3.620 3.620 4.074 -0.454 17818 3409 1 7 . 1 1 64 64 ARG CA C 64 59.300 59.300 58.486 0.814 17818 3410 1 7 . 1 1 64 64 ARG CB C 64 28.800 28.800 29.642 -0.842 17818 3411 1 7 . 1 1 64 64 ARG H H 64 8.810 8.810 8.282 0.528 17818 3412 1 7 . 1 1 65 65 SER N N 65 114.600 114.600 115.325 -0.725 17818 3413 1 7 . 1 1 65 65 SER HA H 65 4.190 4.190 4.435 -0.245 17818 3414 1 7 . 1 1 65 65 SER CA C 65 60.700 60.700 59.555 1.145 17818 3415 1 7 . 1 1 65 65 SER CB C 65 62.700 62.700 62.577 0.123 17818 3416 1 7 . 1 1 65 65 SER H H 65 7.800 7.800 7.712 0.088 17818 3417 1 7 . 1 1 66 66 ARG N N 66 118.000 118.000 119.851 -1.851 17818 3418 1 7 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.387 0.033 17818 3419 1 7 . 1 1 66 66 ARG CA C 66 57.100 57.100 55.624 1.476 17818 3420 1 7 . 1 1 66 66 ARG CB C 66 31.500 31.500 29.953 1.546 17818 3421 1 7 . 1 1 66 66 ARG H H 66 7.110 7.110 7.408 -0.298 17818 3422 1 7 . 1 1 67 67 GLY N N 67 106.700 106.700 108.169 -1.469 17818 3423 1 7 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.507 0.293 17818 3424 1 7 . 1 1 67 67 GLY H H 67 7.800 7.800 7.862 -0.062 17818 3425 1 7 . 1 1 68 68 LYS N N 68 117.600 117.600 121.311 -3.711 17818 3426 1 7 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.828 0.182 17818 3427 1 7 . 1 1 68 68 LYS CA C 68 53.100 53.100 53.136 -0.036 17818 3428 1 7 . 1 1 68 68 LYS CB C 68 34.900 34.900 33.749 1.151 17818 3429 1 7 . 1 1 68 68 LYS H H 68 7.440 7.440 8.104 -0.664 17818 3430 1 7 . 1 1 69 69 PRO HA H 69 4.060 4.060 4.903 -0.843 17818 3431 1 7 . 1 1 69 69 PRO CA C 69 62.700 62.700 62.215 0.485 17818 3432 1 7 . 1 1 69 69 PRO CB C 69 32.300 32.300 32.520 -0.220 17818 3433 1 7 . 1 1 70 70 PHE N N 70 123.200 123.200 120.579 2.621 17818 3434 1 7 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.921 0.119 17818 3435 1 7 . 1 1 70 70 PHE CA C 70 57.100 57.100 57.646 -0.546 17818 3436 1 7 . 1 1 70 70 PHE CB C 70 42.900 42.900 43.361 -0.461 17818 3437 1 7 . 1 1 70 70 PHE H H 70 9.180 9.180 8.995 0.185 17818 3438 1 7 . 1 1 71 71 GLN N N 71 126.000 126.000 126.121 -0.121 17818 3439 1 7 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.556 0.194 17818 3440 1 7 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.225 -0.925 17818 3441 1 7 . 1 1 71 71 GLN CB C 71 32.900 32.900 31.848 1.052 17818 3442 1 7 . 1 1 71 71 GLN H H 71 8.020 8.020 8.030 -0.010 17818 3443 1 7 . 1 1 72 72 PHE N N 72 116.800 116.800 119.488 -2.688 17818 3444 1 7 . 1 1 72 72 PHE HA H 72 4.700 4.700 4.959 -0.259 17818 3445 1 7 . 1 1 72 72 PHE CA C 72 55.500 55.500 56.225 -0.725 17818 3446 1 7 . 1 1 72 72 PHE CB C 72 40.900 40.900 41.520 -0.620 17818 3447 1 7 . 1 1 72 72 PHE H H 72 8.110 8.110 8.931 -0.821 17818 3448 1 7 . 1 1 73 73 THR N N 73 118.800 118.800 118.676 0.124 17818 3449 1 7 . 1 1 73 73 THR HA H 73 3.960 3.960 4.412 -0.452 17818 3450 1 7 . 1 1 73 73 THR CA C 73 62.600 62.600 63.194 -0.594 17818 3451 1 7 . 1 1 73 73 THR CB C 73 67.500 67.500 68.965 -1.465 17818 3452 1 7 . 1 1 73 73 THR H H 73 9.080 9.080 9.025 0.055 17818 3453 1 7 . 1 1 74 74 LEU N N 74 132.500 132.500 128.842 3.658 17818 3454 1 7 . 1 1 74 74 LEU HA H 74 4.140 4.140 3.880 0.260 17818 3455 1 7 . 1 1 74 74 LEU CA C 74 56.800 56.800 55.692 1.108 17818 3456 1 7 . 1 1 74 74 LEU CB C 74 41.800 41.800 42.387 -0.587 17818 3457 1 7 . 1 1 74 74 LEU H H 74 8.220 8.220 8.471 -0.251 17818 3458 1 7 . 1 1 75 75 GLY N N 75 118.100 118.100 115.359 2.741 17818 3459 1 7 . 1 1 75 75 GLY CA C 75 46.200 46.200 45.150 1.050 17818 3460 1 7 . 1 1 75 75 GLY H H 75 9.850 9.850 8.960 0.890 17818 3461 1 7 . 1 1 76 76 ALA N N 76 120.600 120.600 121.509 -0.909 17818 3462 1 7 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.764 -0.264 17818 3463 1 7 . 1 1 76 76 ALA CA C 76 51.900 51.900 51.669 0.231 17818 3464 1 7 . 1 1 76 76 ALA CB C 76 20.200 20.200 21.278 -1.078 17818 3465 1 7 . 1 1 76 76 ALA H H 76 7.550 7.550 7.667 -0.117 17818 3466 1 7 . 1 1 77 77 GLY N N 77 110.500 110.500 105.782 4.718 17818 3467 1 7 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.628 0.772 17818 3468 1 7 . 1 1 77 77 GLY H H 77 8.790 8.790 8.656 0.134 17818 3469 1 7 . 1 1 78 78 GLU N N 78 119.400 119.400 119.591 -0.191 17818 3470 1 7 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.245 -0.095 17818 3471 1 7 . 1 1 78 78 GLU CA C 78 57.200 57.200 58.146 -0.946 17818 3472 1 7 . 1 1 78 78 GLU CB C 78 30.900 30.900 30.242 0.658 17818 3473 1 7 . 1 1 78 78 GLU H H 78 9.240 9.240 8.701 0.539 17818 3474 1 7 . 1 1 79 79 VAL N N 79 108.600 108.600 113.119 -4.519 17818 3475 1 7 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.346 -0.126 17818 3476 1 7 . 1 1 79 79 VAL CA C 79 57.300 57.300 59.885 -2.585 17818 3477 1 7 . 1 1 79 79 VAL CB C 79 35.400 35.400 33.979 1.421 17818 3478 1 7 . 1 1 79 79 VAL H H 79 6.760 6.760 7.427 -0.667 17818 3479 1 7 . 1 1 80 80 ILE N N 80 111.800 111.800 114.360 -2.560 17818 3480 1 7 . 1 1 80 80 ILE HA H 80 3.800 3.800 3.933 -0.133 17818 3481 1 7 . 1 1 80 80 ILE CA C 80 61.800 61.800 61.501 0.299 17818 3482 1 7 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.262 -0.262 17818 3483 1 7 . 1 1 80 80 ILE H H 80 7.300 7.300 7.719 -0.419 17818 3484 1 7 . 1 1 81 81 LYS N N 81 124.700 124.700 126.554 -1.854 17818 3485 1 7 . 1 1 81 81 LYS HA H 81 4.160 4.160 3.925 0.235 17818 3486 1 7 . 1 1 81 81 LYS CA C 81 59.700 59.700 58.744 0.956 17818 3487 1 7 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.697 1.103 17818 3488 1 7 . 1 1 81 81 LYS H H 81 8.880 8.880 8.729 0.151 17818 3489 1 7 . 1 1 82 82 GLY N N 82 101.700 101.700 106.961 -5.261 17818 3490 1 7 . 1 1 82 82 GLY CA C 82 47.300 47.300 47.169 0.131 17818 3491 1 7 . 1 1 82 82 GLY H H 82 9.580 9.580 8.024 1.556 17818 3492 1 7 . 1 1 83 83 TRP N N 83 119.300 119.300 121.958 -2.658 17818 3493 1 7 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.397 -0.387 17818 3494 1 7 . 1 1 83 83 TRP CA C 83 59.300 59.300 57.132 2.168 17818 3495 1 7 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.577 0.523 17818 3496 1 7 . 1 1 83 83 TRP H H 83 7.450 7.450 7.391 0.059 17818 3497 1 7 . 1 1 84 84 ASP N N 84 120.900 120.900 120.158 0.742 17818 3498 1 7 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.461 -0.461 17818 3499 1 7 . 1 1 84 84 ASP CA C 84 58.200 58.200 58.146 0.054 17818 3500 1 7 . 1 1 84 84 ASP CB C 84 41.000 41.000 40.902 0.098 17818 3501 1 7 . 1 1 84 84 ASP H H 84 7.120 7.120 8.341 -1.221 17818 3502 1 7 . 1 1 85 85 GLN N N 85 114.500 114.500 119.168 -4.668 17818 3503 1 7 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.066 -0.066 17818 3504 1 7 . 1 1 85 85 GLN CA C 85 58.200 58.200 58.531 -0.331 17818 3505 1 7 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.761 0.140 17818 3506 1 7 . 1 1 85 85 GLN H H 85 8.360 8.360 8.105 0.255 17818 3507 1 7 . 1 1 86 86 GLY N N 86 106.300 106.300 107.829 -1.529 17818 3508 1 7 . 1 1 86 86 GLY CA C 86 47.700 47.700 47.004 0.696 17818 3509 1 7 . 1 1 86 86 GLY H H 86 7.960 7.960 7.873 0.087 17818 3510 1 7 . 1 1 87 87 VAL N N 87 125.300 125.300 121.309 3.991 17818 3511 1 7 . 1 1 87 87 VAL HA H 87 3.630 3.630 3.868 -0.238 17818 3512 1 7 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.577 1.823 17818 3513 1 7 . 1 1 87 87 VAL CB C 87 30.300 30.300 32.074 -1.774 17818 3514 1 7 . 1 1 87 87 VAL H H 87 9.090 9.090 8.120 0.970 17818 3515 1 7 . 1 1 88 88 ALA N N 88 116.500 116.500 122.014 -5.514 17818 3516 1 7 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.124 -0.134 17818 3517 1 7 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.770 -0.470 17818 3518 1 7 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.417 0.183 17818 3519 1 7 . 1 1 88 88 ALA H H 88 6.750 6.750 7.948 -1.198 17818 3520 1 7 . 1 1 89 89 THR N N 89 105.500 105.500 111.916 -6.416 17818 3521 1 7 . 1 1 89 89 THR HA H 89 4.520 4.520 4.390 0.130 17818 3522 1 7 . 1 1 89 89 THR CA C 89 62.300 62.300 62.856 -0.556 17818 3523 1 7 . 1 1 89 89 THR CB C 89 71.100 71.100 69.379 1.721 17818 3524 1 7 . 1 1 89 89 THR H H 89 7.400 7.400 8.118 -0.718 17818 3525 1 7 . 1 1 90 90 MET N N 90 122.400 122.400 119.079 3.321 17818 3526 1 7 . 1 1 90 90 MET CA C 90 56.200 56.200 55.374 0.826 17818 3527 1 7 . 1 1 90 90 MET CB C 90 36.800 36.800 35.077 1.723 17818 3528 1 7 . 1 1 90 90 MET H H 90 7.550 7.550 7.481 0.069 17818 3529 1 7 . 1 1 91 91 THR N N 91 105.200 105.200 110.710 -5.510 17818 3530 1 7 . 1 1 91 91 THR HA H 91 5.120 5.120 4.603 0.517 17818 3531 1 7 . 1 1 91 91 THR CA C 91 59.800 59.800 59.763 0.037 17818 3532 1 7 . 1 1 91 91 THR CB C 91 71.900 71.900 72.265 -0.365 17818 3533 1 7 . 1 1 91 91 THR H H 91 7.350 7.350 8.549 -1.199 17818 3534 1 7 . 1 1 92 92 LEU N N 92 121.200 121.200 120.919 0.281 17818 3535 1 7 . 1 1 92 92 LEU HA H 92 3.600 3.600 4.103 -0.503 17818 3536 1 7 . 1 1 92 92 LEU CA C 92 58.100 58.100 55.476 2.624 17818 3537 1 7 . 1 1 92 92 LEU CB C 92 43.400 43.400 42.939 0.461 17818 3538 1 7 . 1 1 92 92 LEU H H 92 8.180 8.180 8.591 -0.411 17818 3539 1 7 . 1 1 93 93 GLY N N 93 115.800 115.800 112.700 3.100 17818 3540 1 7 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.202 -0.502 17818 3541 1 7 . 1 1 93 93 GLY H H 93 8.490 8.490 8.596 -0.106 17818 3542 1 7 . 1 1 94 94 GLU N N 94 123.700 123.700 119.910 3.790 17818 3543 1 7 . 1 1 94 94 GLU HA H 94 4.290 4.290 4.890 -0.600 17818 3544 1 7 . 1 1 94 94 GLU CA C 94 56.100 56.100 54.415 1.685 17818 3545 1 7 . 1 1 94 94 GLU CB C 94 33.500 33.500 33.782 -0.282 17818 3546 1 7 . 1 1 94 94 GLU H H 94 8.650 8.650 7.670 0.980 17818 3547 1 7 . 1 1 95 95 LYS N N 95 124.200 124.200 127.448 -3.248 17818 3548 1 7 . 1 1 95 95 LYS HA H 95 5.560 5.560 4.922 0.638 17818 3549 1 7 . 1 1 95 95 LYS CA C 95 54.600 54.600 55.139 -0.539 17818 3550 1 7 . 1 1 95 95 LYS CB C 95 35.300 35.300 34.622 0.678 17818 3551 1 7 . 1 1 95 95 LYS H H 95 8.950 8.950 8.963 -0.013 17818 3552 1 7 . 1 1 96 96 ALA N N 96 129.100 129.100 130.089 -0.989 17818 3553 1 7 . 1 1 96 96 ALA HA H 96 4.990 4.990 4.942 0.048 17818 3554 1 7 . 1 1 96 96 ALA CA C 96 50.500 50.500 50.163 0.337 17818 3555 1 7 . 1 1 96 96 ALA CB C 96 23.900 23.900 22.279 1.621 17818 3556 1 7 . 1 1 96 96 ALA H H 96 9.530 9.530 9.369 0.161 17818 3557 1 7 . 1 1 97 97 LEU N N 97 122.200 122.200 125.526 -3.326 17818 3558 1 7 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.717 0.463 17818 3559 1 7 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.061 -1.061 17818 3560 1 7 . 1 1 97 97 LEU CB C 97 45.800 45.800 42.926 2.874 17818 3561 1 7 . 1 1 97 97 LEU H H 97 9.100 9.100 8.927 0.173 17818 3562 1 7 . 1 1 98 98 PHE N N 98 125.800 125.800 129.174 -3.374 17818 3563 1 7 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.677 0.023 17818 3564 1 7 . 1 1 98 98 PHE CA C 98 56.500 56.500 55.556 0.944 17818 3565 1 7 . 1 1 98 98 PHE CB C 98 42.300 42.300 43.295 -0.995 17818 3566 1 7 . 1 1 98 98 PHE H H 98 9.940 9.940 9.395 0.545 17818 3567 1 7 . 1 1 99 99 THR N N 99 121.600 121.600 125.643 -4.043 17818 3568 1 7 . 1 1 99 99 THR CA C 99 63.500 63.500 62.709 0.791 17818 3569 1 7 . 1 1 99 99 THR CB C 99 68.600 68.600 68.788 -0.188 17818 3570 1 7 . 1 1 99 99 THR H H 99 9.100 9.100 8.559 0.541 17818 3571 1 7 . 1 1 100 100 ILE N N 100 127.400 127.400 128.805 -1.405 17818 3572 1 7 . 1 1 100 100 ILE CA C 100 58.700 58.700 57.193 1.507 17818 3573 1 7 . 1 1 100 100 ILE CB C 100 39.400 39.400 37.024 2.376 17818 3574 1 7 . 1 1 100 100 ILE H H 100 9.880 9.880 9.158 0.722 17818 3575 1 7 . 1 1 101 101 PRO CA C 101 62.200 62.200 62.658 -0.458 17818 3576 1 7 . 1 1 101 101 PRO CB C 101 32.500 32.500 31.648 0.852 17818 3577 1 7 . 1 1 102 102 TYR N N 102 118.100 118.100 121.952 -3.852 17818 3578 1 7 . 1 1 102 102 TYR HA H 102 4.470 4.470 4.021 0.449 17818 3579 1 7 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.669 0.431 17818 3580 1 7 . 1 1 102 102 TYR CB C 102 37.000 37.000 37.319 -0.319 17818 3581 1 7 . 1 1 102 102 TYR H H 102 8.450 8.450 8.335 0.115 17818 3582 1 7 . 1 1 103 103 GLN N N 103 123.800 123.800 116.320 7.480 17818 3583 1 7 . 1 1 103 103 GLN HA H 103 4.050 4.050 4.133 -0.083 17818 3584 1 7 . 1 1 103 103 GLN CA C 103 59.500 59.500 56.831 2.669 17818 3585 1 7 . 1 1 103 103 GLN CB C 103 27.300 27.300 27.865 -0.565 17818 3586 1 7 . 1 1 103 103 GLN H H 103 9.080 9.080 7.701 1.379 17818 3587 1 7 . 1 1 104 104 LEU N N 104 116.800 116.800 119.765 -2.965 17818 3588 1 7 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.501 0.019 17818 3589 1 7 . 1 1 104 104 LEU CA C 104 53.100 53.100 54.163 -1.063 17818 3590 1 7 . 1 1 104 104 LEU CB C 104 43.400 43.400 41.858 1.542 17818 3591 1 7 . 1 1 104 104 LEU H H 104 7.790 7.790 7.668 0.122 17818 3592 1 7 . 1 1 105 105 ALA N N 105 125.400 125.400 120.945 4.455 17818 3593 1 7 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.440 0.030 17818 3594 1 7 . 1 1 105 105 ALA CA C 105 51.000 51.000 52.000 -1.000 17818 3595 1 7 . 1 1 105 105 ALA CB C 105 18.900 18.900 19.781 -0.881 17818 3596 1 7 . 1 1 105 105 ALA H H 105 7.780 7.780 7.304 0.476 17818 3597 1 7 . 1 1 106 106 TYR N N 106 122.000 122.000 117.735 4.265 17818 3598 1 7 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.495 0.115 17818 3599 1 7 . 1 1 106 106 TYR CA C 106 59.300 59.300 57.941 1.359 17818 3600 1 7 . 1 1 106 106 TYR CB C 106 37.400 37.400 37.804 -0.404 17818 3601 1 7 . 1 1 106 106 TYR H H 106 9.430 9.430 8.628 0.802 17818 3602 1 7 . 1 1 107 107 GLY N N 107 105.500 105.500 109.583 -4.083 17818 3603 1 7 . 1 1 107 107 GLY CA C 107 46.500 46.500 46.635 -0.135 17818 3604 1 7 . 1 1 107 107 GLY H H 107 8.490 8.490 8.394 0.096 17818 3605 1 7 . 1 1 108 108 GLU HA H 108 3.510 3.510 3.934 -0.424 17818 3606 1 7 . 1 1 108 108 GLU CA C 108 59.500 59.500 58.909 0.591 17818 3607 1 7 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.200 0.400 17818 3608 1 7 . 1 1 109 109 ARG N N 109 115.900 115.900 121.377 -5.477 17818 3609 1 7 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.194 -0.014 17818 3610 1 7 . 1 1 109 109 ARG CA C 109 57.400 57.400 56.166 1.234 17818 3611 1 7 . 1 1 109 109 ARG CB C 109 30.700 30.700 31.755 -1.055 17818 3612 1 7 . 1 1 109 109 ARG H H 109 8.840 8.840 7.693 1.147 17818 3613 1 7 . 1 1 110 110 GLY N N 110 130.700 130.700 106.239 24.461 17818 3614 1 7 . 1 1 110 110 GLY CA C 110 44.800 44.800 45.050 -0.250 17818 3615 1 7 . 1 1 110 110 GLY H H 110 7.140 7.140 8.107 -0.967 17818 3616 1 7 . 1 1 111 111 TYR N N 111 119.700 119.700 123.325 -3.625 17818 3617 1 7 . 1 1 111 111 TYR CA C 111 54.500 54.500 59.295 -4.795 17818 3618 1 7 . 1 1 111 111 TYR CB C 111 38.600 38.600 38.949 -0.349 17818 3619 1 7 . 1 1 111 111 TYR H H 111 8.570 8.570 8.774 -0.204 17818 3620 1 7 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.646 -0.846 17818 3621 1 7 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.567 2.733 17818 3622 1 7 . 1 1 114 114 VAL N N 114 122.900 122.900 111.970 10.930 17818 3623 1 7 . 1 1 114 114 VAL HA H 114 3.850 3.850 4.179 -0.329 17818 3624 1 7 . 1 1 114 114 VAL CA C 114 65.600 65.600 62.998 2.602 17818 3625 1 7 . 1 1 114 114 VAL CB C 114 33.000 33.000 32.347 0.653 17818 3626 1 7 . 1 1 114 114 VAL H H 114 7.870 7.870 7.906 -0.036 17818 3627 1 7 . 1 1 115 115 ILE N N 115 118.100 118.100 123.768 -5.668 17818 3628 1 7 . 1 1 115 115 ILE CA C 115 56.300 56.300 57.389 -1.089 17818 3629 1 7 . 1 1 115 115 ILE CB C 115 37.700 37.700 37.920 -0.220 17818 3630 1 7 . 1 1 115 115 ILE H H 115 7.550 7.550 7.851 -0.301 17818 3631 1 7 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.235 -0.615 17818 3632 1 7 . 1 1 117 117 PRO CA C 117 63.400 63.400 63.374 0.026 17818 3633 1 7 . 1 1 117 117 PRO CB C 117 32.800 32.800 31.896 0.904 17818 3634 1 7 . 1 1 118 118 LYS N N 118 115.100 115.100 116.674 -1.574 17818 3635 1 7 . 1 1 118 118 LYS HA H 118 2.580 2.580 2.931 -0.351 17818 3636 1 7 . 1 1 118 118 LYS CA C 118 57.900 57.900 56.722 1.178 17818 3637 1 7 . 1 1 118 118 LYS CB C 118 29.700 29.700 29.884 -0.184 17818 3638 1 7 . 1 1 118 118 LYS H H 118 7.330 7.330 8.137 -0.807 17818 3639 1 7 . 1 1 119 119 ALA N N 119 121.900 121.900 122.074 -0.174 17818 3640 1 7 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.351 0.099 17818 3641 1 7 . 1 1 119 119 ALA CA C 119 52.700 52.700 51.785 0.915 17818 3642 1 7 . 1 1 119 119 ALA CB C 119 20.100 20.100 19.105 0.996 17818 3643 1 7 . 1 1 119 119 ALA H H 119 7.900 7.900 7.751 0.149 17818 3644 1 7 . 1 1 120 120 THR N N 120 121.800 121.800 121.246 0.554 17818 3645 1 7 . 1 1 120 120 THR CA C 120 63.100 63.100 64.043 -0.943 17818 3646 1 7 . 1 1 120 120 THR CB C 120 69.800 69.800 69.352 0.448 17818 3647 1 7 . 1 1 120 120 THR H H 120 8.170 8.170 8.158 0.012 17818 3648 1 7 . 1 1 121 121 LEU N N 121 124.200 124.200 128.694 -4.494 17818 3649 1 7 . 1 1 121 121 LEU CA C 121 53.100 53.100 52.844 0.256 17818 3650 1 7 . 1 1 121 121 LEU CB C 121 46.300 46.300 46.145 0.155 17818 3651 1 7 . 1 1 121 121 LEU H H 121 8.640 8.640 8.965 -0.325 17818 3652 1 7 . 1 1 122 122 VAL N N 122 122.200 122.200 123.514 -1.314 17818 3653 1 7 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.460 0.830 17818 3654 1 7 . 1 1 122 122 VAL CA C 122 60.700 60.700 62.081 -1.381 17818 3655 1 7 . 1 1 122 122 VAL CB C 122 33.300 33.300 32.644 0.656 17818 3656 1 7 . 1 1 122 122 VAL H H 122 8.860 8.860 8.471 0.389 17818 3657 1 7 . 1 1 123 123 PHE N N 123 122.900 122.900 126.115 -3.215 17818 3658 1 7 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.407 -0.007 17818 3659 1 7 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.257 -0.857 17818 3660 1 7 . 1 1 123 123 PHE CB C 123 44.000 44.000 43.426 0.574 17818 3661 1 7 . 1 1 123 123 PHE H H 123 9.620 9.620 9.369 0.251 17818 3662 1 7 . 1 1 124 124 GLU N N 124 125.500 125.500 124.771 0.729 17818 3663 1 7 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.681 1.219 17818 3664 1 7 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.756 -1.156 17818 3665 1 7 . 1 1 124 124 GLU CB C 124 31.800 31.800 29.881 1.919 17818 3666 1 7 . 1 1 124 124 GLU H H 124 9.180 9.180 8.959 0.221 17818 3667 1 7 . 1 1 125 125 VAL N N 125 128.100 128.100 121.920 6.180 17818 3668 1 7 . 1 1 125 125 VAL CA C 125 61.300 61.300 60.652 0.648 17818 3669 1 7 . 1 1 125 125 VAL CB C 125 35.800 35.800 33.388 2.412 17818 3670 1 7 . 1 1 125 125 VAL H H 125 9.600 9.600 9.104 0.496 17818 3671 1 7 . 1 1 126 126 GLU N N 126 128.500 128.500 127.455 1.045 17818 3672 1 7 . 1 1 126 126 GLU HA H 126 5.630 5.630 5.192 0.438 17818 3673 1 7 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.250 -0.750 17818 3674 1 7 . 1 1 126 126 GLU CB C 126 34.000 34.000 34.117 -0.117 17818 3675 1 7 . 1 1 126 126 GLU H H 126 9.420 9.420 8.755 0.665 17818 3676 1 7 . 1 1 127 127 LEU N N 127 127.900 127.900 128.720 -0.820 17818 3677 1 7 . 1 1 127 127 LEU CA C 127 55.100 55.100 53.964 1.136 17818 3678 1 7 . 1 1 127 127 LEU CB C 127 41.400 41.400 42.251 -0.851 17818 3679 1 7 . 1 1 127 127 LEU H H 127 8.720 8.720 8.889 -0.169 17818 3680 1 7 . 1 1 128 128 LEU N N 128 128.700 128.700 128.251 0.449 17818 3681 1 7 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.491 -0.091 17818 3682 1 7 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.453 0.447 17818 3683 1 7 . 1 1 128 128 LEU CB C 128 43.700 43.700 42.073 1.627 17818 3684 1 7 . 1 1 128 128 LEU H H 128 8.690 8.690 8.887 -0.197 17818 3685 1 7 . 1 1 129 129 ALA N N 129 118.600 118.600 117.796 0.804 17818 3686 1 7 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.603 -0.143 17818 3687 1 7 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.873 0.927 17818 3688 1 7 . 1 1 129 129 ALA CB C 129 21.100 21.100 21.914 -0.814 17818 3689 1 7 . 1 1 129 129 ALA H H 129 7.810 7.810 7.777 0.033 17818 3690 1 8 . 1 1 8 8 HIS CA C 8 54.700 54.700 56.398 -1.698 17818 3691 1 8 . 1 1 8 8 HIS CB C 8 31.200 31.200 28.416 2.784 17818 3692 1 8 . 1 1 9 9 MET N N 9 120.000 120.000 118.080 1.920 17818 3693 1 8 . 1 1 9 9 MET HA H 9 4.280 4.280 4.605 -0.325 17818 3694 1 8 . 1 1 9 9 MET CA C 9 55.500 55.500 55.024 0.476 17818 3695 1 8 . 1 1 9 9 MET CB C 9 32.500 32.500 33.815 -1.315 17818 3696 1 8 . 1 1 9 9 MET H H 9 8.110 8.110 7.835 0.275 17818 3697 1 8 . 1 1 10 10 GLY N N 10 109.800 109.800 109.533 0.267 17818 3698 1 8 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.702 0.598 17818 3699 1 8 . 1 1 10 10 GLY H H 10 8.440 8.440 7.700 0.740 17818 3700 1 8 . 1 1 11 11 THR N N 11 113.600 113.600 114.870 -1.270 17818 3701 1 8 . 1 1 11 11 THR HA H 11 4.330 4.330 4.334 -0.004 17818 3702 1 8 . 1 1 11 11 THR CA C 11 62.000 62.000 61.268 0.732 17818 3703 1 8 . 1 1 11 11 THR CB C 11 69.900 69.900 69.248 0.652 17818 3704 1 8 . 1 1 11 11 THR H H 11 8.070 8.070 8.201 -0.131 17818 3705 1 8 . 1 1 12 12 LEU N N 12 124.200 124.200 128.713 -4.513 17818 3706 1 8 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.459 -0.139 17818 3707 1 8 . 1 1 12 12 LEU CA C 12 55.500 55.500 54.936 0.564 17818 3708 1 8 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.744 0.356 17818 3709 1 8 . 1 1 12 12 LEU H H 12 8.380 8.380 8.794 -0.414 17818 3710 1 8 . 1 1 13 13 GLU N N 13 121.600 121.600 126.287 -4.687 17818 3711 1 8 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.575 -0.375 17818 3712 1 8 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.368 1.532 17818 3713 1 8 . 1 1 13 13 GLU CB C 13 30.000 30.000 29.831 0.169 17818 3714 1 8 . 1 1 13 13 GLU H H 13 8.430 8.430 8.275 0.155 17818 3715 1 8 . 1 1 14 14 ALA N N 14 124.400 124.400 127.997 -3.597 17818 3716 1 8 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.524 -0.254 17818 3717 1 8 . 1 1 14 14 ALA CA C 14 52.700 52.700 51.615 1.085 17818 3718 1 8 . 1 1 14 14 ALA CB C 14 19.100 19.100 18.906 0.194 17818 3719 1 8 . 1 1 14 14 ALA H H 14 8.290 8.290 8.561 -0.271 17818 3720 1 8 . 1 1 15 15 GLN N N 15 119.100 119.100 122.188 -3.088 17818 3721 1 8 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.350 0.040 17818 3722 1 8 . 1 1 15 15 GLN CA C 15 56.000 56.000 55.314 0.686 17818 3723 1 8 . 1 1 15 15 GLN CB C 15 29.400 29.400 28.554 0.846 17818 3724 1 8 . 1 1 15 15 GLN H H 15 8.370 8.370 8.656 -0.286 17818 3725 1 8 . 1 1 16 16 THR N N 16 114.900 114.900 110.808 4.092 17818 3726 1 8 . 1 1 16 16 THR CA C 16 62.100 62.100 61.805 0.295 17818 3727 1 8 . 1 1 16 16 THR CB C 16 69.800 69.800 68.838 0.962 17818 3728 1 8 . 1 1 16 16 THR H H 16 8.200 8.200 7.810 0.390 17818 3729 1 8 . 1 1 17 17 GLN N N 17 122.200 122.200 125.464 -3.264 17818 3730 1 8 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.260 0.170 17818 3731 1 8 . 1 1 17 17 GLN CA C 17 55.600 55.600 56.558 -0.958 17818 3732 1 8 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.080 0.620 17818 3733 1 8 . 1 1 17 17 GLN H H 17 8.420 8.420 8.390 0.030 17818 3734 1 8 . 1 1 18 18 GLY N N 18 110.100 110.100 107.307 2.793 17818 3735 1 8 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.386 0.214 17818 3736 1 8 . 1 1 18 18 GLY H H 18 8.360 8.360 8.146 0.214 17818 3737 1 8 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.561 -0.121 17818 3738 1 8 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.301 0.299 17818 3739 1 8 . 1 1 19 19 PRO CB C 19 32.000 32.000 32.044 -0.044 17818 3740 1 8 . 1 1 20 20 GLY N N 20 109.400 109.400 111.457 -2.057 17818 3741 1 8 . 1 1 20 20 GLY CA C 20 45.300 45.300 45.069 0.231 17818 3742 1 8 . 1 1 20 20 GLY H H 20 8.630 8.630 8.033 0.597 17818 3743 1 8 . 1 1 21 21 SER N N 21 115.400 115.400 118.176 -2.776 17818 3744 1 8 . 1 1 21 21 SER CA C 21 63.800 63.800 58.335 5.465 17818 3745 1 8 . 1 1 21 21 SER CB C 21 69.800 69.800 62.366 7.434 17818 3746 1 8 . 1 1 21 21 SER H H 21 4.180 4.180 8.364 -4.184 17818 3747 1 8 . 1 1 22 22 MET N N 22 121.900 121.900 123.999 -2.099 17818 3748 1 8 . 1 1 22 22 MET CA C 22 55.500 55.500 53.330 2.170 17818 3749 1 8 . 1 1 22 22 MET CB C 22 32.800 32.800 32.038 0.762 17818 3750 1 8 . 1 1 22 22 MET H H 22 8.440 8.440 8.249 0.191 17818 3751 1 8 . 1 1 23 23 SER N N 23 116.600 116.600 120.329 -3.729 17818 3752 1 8 . 1 1 23 23 SER HA H 23 4.400 4.400 3.955 0.445 17818 3753 1 8 . 1 1 23 23 SER CA C 23 58.300 58.300 60.433 -2.133 17818 3754 1 8 . 1 1 23 23 SER CB C 23 63.700 63.700 63.662 0.038 17818 3755 1 8 . 1 1 23 23 SER H H 23 8.290 8.290 8.801 -0.511 17818 3756 1 8 . 1 1 24 24 ALA N N 24 125.700 125.700 123.160 2.540 17818 3757 1 8 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.467 -0.177 17818 3758 1 8 . 1 1 24 24 ALA CA C 24 52.100 52.100 51.532 0.568 17818 3759 1 8 . 1 1 24 24 ALA CB C 24 19.300 19.300 18.728 0.572 17818 3760 1 8 . 1 1 24 24 ALA H H 24 8.200 8.200 7.956 0.244 17818 3761 1 8 . 1 1 25 25 GLN N N 25 118.300 118.300 122.219 -3.919 17818 3762 1 8 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.537 -0.027 17818 3763 1 8 . 1 1 25 25 GLN CA C 25 54.200 54.200 55.319 -1.119 17818 3764 1 8 . 1 1 25 25 GLN CB C 25 31.300 31.300 32.374 -1.074 17818 3765 1 8 . 1 1 25 25 GLN H H 25 8.280 8.280 8.696 -0.416 17818 3766 1 8 . 1 1 26 26 LEU N N 26 122.100 122.100 124.956 -2.856 17818 3767 1 8 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.602 -0.142 17818 3768 1 8 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.965 0.335 17818 3769 1 8 . 1 1 26 26 LEU CB C 26 43.500 43.500 43.491 0.009 17818 3770 1 8 . 1 1 26 26 LEU H H 26 8.480 8.480 8.491 -0.011 17818 3771 1 8 . 1 1 27 27 GLU N N 27 125.300 125.300 126.368 -1.068 17818 3772 1 8 . 1 1 27 27 GLU CA C 27 55.300 55.300 55.483 -0.183 17818 3773 1 8 . 1 1 27 27 GLU CB C 27 32.400 32.400 31.651 0.749 17818 3774 1 8 . 1 1 27 27 GLU H H 27 8.240 8.240 8.384 -0.144 17818 3775 1 8 . 1 1 28 28 LYS N N 28 125.000 125.000 124.413 0.587 17818 3776 1 8 . 1 1 28 28 LYS HA H 28 4.610 4.610 4.694 -0.084 17818 3777 1 8 . 1 1 28 28 LYS CA C 28 54.500 54.500 54.960 -0.460 17818 3778 1 8 . 1 1 28 28 LYS CB C 28 35.700 35.700 32.792 2.908 17818 3779 1 8 . 1 1 28 28 LYS H H 28 8.810 8.810 8.401 0.409 17818 3780 1 8 . 1 1 29 29 LYS N N 29 128.100 128.100 127.057 1.043 17818 3781 1 8 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.506 0.524 17818 3782 1 8 . 1 1 29 29 LYS CA C 29 55.000 55.000 55.177 -0.177 17818 3783 1 8 . 1 1 29 29 LYS CB C 29 36.200 36.200 34.140 2.060 17818 3784 1 8 . 1 1 29 29 LYS H H 29 8.850 8.850 8.859 -0.009 17818 3785 1 8 . 1 1 30 30 VAL N N 30 127.200 127.200 126.495 0.705 17818 3786 1 8 . 1 1 30 30 VAL HA H 30 3.660 3.660 3.920 -0.260 17818 3787 1 8 . 1 1 30 30 VAL CA C 30 64.800 64.800 63.233 1.567 17818 3788 1 8 . 1 1 30 30 VAL CB C 30 31.600 31.600 32.169 -0.568 17818 3789 1 8 . 1 1 30 30 VAL H H 30 9.170 9.170 8.823 0.347 17818 3790 1 8 . 1 1 31 31 LEU N N 31 129.800 129.800 130.946 -1.146 17818 3791 1 8 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.485 -0.045 17818 3792 1 8 . 1 1 31 31 LEU CA C 31 56.000 56.000 56.550 -0.550 17818 3793 1 8 . 1 1 31 31 LEU CB C 31 41.800 41.800 42.690 -0.890 17818 3794 1 8 . 1 1 31 31 LEU H H 31 9.020 9.020 8.751 0.269 17818 3795 1 8 . 1 1 32 32 THR N N 32 115.700 115.700 114.347 1.353 17818 3796 1 8 . 1 1 32 32 THR CA C 32 59.300 59.300 60.605 -1.305 17818 3797 1 8 . 1 1 32 32 THR CB C 32 72.500 72.500 70.944 1.556 17818 3798 1 8 . 1 1 32 32 THR H H 32 8.220 8.220 8.121 0.099 17818 3799 1 8 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.914 -0.624 17818 3800 1 8 . 1 1 33 33 PRO CA C 33 63.000 63.000 61.980 1.020 17818 3801 1 8 . 1 1 33 33 PRO CB C 33 32.400 32.400 32.329 0.071 17818 3802 1 8 . 1 1 34 34 GLY N N 34 109.400 109.400 110.329 -0.929 17818 3803 1 8 . 1 1 34 34 GLY CA C 34 44.200 44.200 43.432 0.768 17818 3804 1 8 . 1 1 34 34 GLY H H 34 9.010 9.010 8.266 0.744 17818 3805 1 8 . 1 1 35 35 ASP N N 35 119.400 119.400 121.315 -1.915 17818 3806 1 8 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.371 -0.041 17818 3807 1 8 . 1 1 35 35 ASP CA C 35 54.700 54.700 57.043 -2.343 17818 3808 1 8 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.035 -1.635 17818 3809 1 8 . 1 1 35 35 ASP H H 35 8.370 8.370 8.408 -0.038 17818 3810 1 8 . 1 1 36 36 GLY N N 36 107.900 107.900 106.855 1.045 17818 3811 1 8 . 1 1 36 36 GLY CA C 36 46.000 46.000 46.398 -0.398 17818 3812 1 8 . 1 1 36 36 GLY H H 36 8.750 8.750 8.786 -0.036 17818 3813 1 8 . 1 1 37 37 VAL N N 37 116.200 116.200 115.956 0.244 17818 3814 1 8 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.044 0.456 17818 3815 1 8 . 1 1 37 37 VAL CA C 37 62.500 62.500 63.872 -1.372 17818 3816 1 8 . 1 1 37 37 VAL CB C 37 35.900 35.900 31.663 4.237 17818 3817 1 8 . 1 1 37 37 VAL H H 37 8.590 8.590 7.118 1.472 17818 3818 1 8 . 1 1 38 38 THR N N 38 126.400 126.400 112.314 14.086 17818 3819 1 8 . 1 1 38 38 THR HA H 38 4.210 4.210 4.434 -0.224 17818 3820 1 8 . 1 1 38 38 THR CA C 38 63.300 63.300 60.521 2.779 17818 3821 1 8 . 1 1 38 38 THR CB C 38 65.800 65.800 68.312 -2.512 17818 3822 1 8 . 1 1 38 38 THR H H 38 10.650 10.650 7.715 2.935 17818 3823 1 8 . 1 1 39 39 LYS N N 39 127.000 127.000 126.677 0.323 17818 3824 1 8 . 1 1 39 39 LYS CA C 39 53.400 53.400 53.862 -0.462 17818 3825 1 8 . 1 1 39 39 LYS CB C 39 33.200 33.200 32.660 0.540 17818 3826 1 8 . 1 1 39 39 LYS H H 39 8.390 8.390 8.053 0.337 17818 3827 1 8 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.609 -0.409 17818 3828 1 8 . 1 1 40 40 PRO CB C 40 33.300 33.300 32.585 0.715 17818 3829 1 8 . 1 1 41 41 GLN N N 41 120.900 120.900 120.240 0.660 17818 3830 1 8 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.545 -0.085 17818 3831 1 8 . 1 1 41 41 GLN CA C 41 53.700 53.700 54.650 -0.950 17818 3832 1 8 . 1 1 41 41 GLN CB C 41 31.500 31.500 32.316 -0.815 17818 3833 1 8 . 1 1 41 41 GLN H H 41 8.750 8.750 8.520 0.230 17818 3834 1 8 . 1 1 42 42 ALA N N 42 125.700 125.700 126.655 -0.955 17818 3835 1 8 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.158 -0.378 17818 3836 1 8 . 1 1 42 42 ALA CA C 42 53.400 53.400 53.256 0.144 17818 3837 1 8 . 1 1 42 42 ALA CB C 42 17.800 17.800 18.432 -0.632 17818 3838 1 8 . 1 1 42 42 ALA H H 42 8.550 8.550 8.695 -0.145 17818 3839 1 8 . 1 1 43 43 GLY N N 43 109.700 109.700 112.661 -2.961 17818 3840 1 8 . 1 1 43 43 GLY CA C 43 45.200 45.200 44.797 0.403 17818 3841 1 8 . 1 1 43 43 GLY H H 43 8.970 8.970 8.788 0.182 17818 3842 1 8 . 1 1 44 44 LYS N N 44 120.300 120.300 120.348 -0.048 17818 3843 1 8 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.632 0.038 17818 3844 1 8 . 1 1 44 44 LYS CA C 44 53.800 53.800 53.934 -0.135 17818 3845 1 8 . 1 1 44 44 LYS CB C 44 34.100 34.100 34.340 -0.240 17818 3846 1 8 . 1 1 44 44 LYS H H 44 7.920 7.920 7.653 0.267 17818 3847 1 8 . 1 1 45 45 LYS N N 45 120.800 120.800 121.036 -0.236 17818 3848 1 8 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.298 0.222 17818 3849 1 8 . 1 1 45 45 LYS CA C 45 56.300 56.300 56.792 -0.492 17818 3850 1 8 . 1 1 45 45 LYS CB C 45 32.900 32.900 32.676 0.224 17818 3851 1 8 . 1 1 45 45 LYS H H 45 8.340 8.340 8.342 -0.002 17818 3852 1 8 . 1 1 46 46 VAL N N 46 117.600 117.600 118.590 -0.990 17818 3853 1 8 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.428 0.132 17818 3854 1 8 . 1 1 46 46 VAL CA C 46 58.900 58.900 60.208 -1.308 17818 3855 1 8 . 1 1 46 46 VAL CB C 46 33.900 33.900 35.264 -1.364 17818 3856 1 8 . 1 1 46 46 VAL H H 46 8.560 8.560 8.616 -0.056 17818 3857 1 8 . 1 1 47 47 THR N N 47 115.600 115.600 122.689 -7.089 17818 3858 1 8 . 1 1 47 47 THR HA H 47 5.100 5.100 4.907 0.193 17818 3859 1 8 . 1 1 47 47 THR CA C 47 61.600 61.600 62.107 -0.507 17818 3860 1 8 . 1 1 47 47 THR CB C 47 69.800 69.800 69.103 0.697 17818 3861 1 8 . 1 1 47 47 THR H H 47 8.130 8.130 8.698 -0.568 17818 3862 1 8 . 1 1 48 48 VAL N N 48 118.100 118.100 122.097 -3.997 17818 3863 1 8 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.358 0.432 17818 3864 1 8 . 1 1 48 48 VAL CA C 48 58.000 58.000 58.448 -0.448 17818 3865 1 8 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.599 -0.098 17818 3866 1 8 . 1 1 48 48 VAL H H 48 9.740 9.740 9.211 0.529 17818 3867 1 8 . 1 1 49 49 HIS N N 49 119.000 119.000 117.660 1.340 17818 3868 1 8 . 1 1 49 49 HIS HA H 49 5.810 5.810 4.958 0.852 17818 3869 1 8 . 1 1 49 49 HIS CA C 49 54.600 54.600 54.175 0.425 17818 3870 1 8 . 1 1 49 49 HIS CB C 49 35.600 35.600 33.617 1.984 17818 3871 1 8 . 1 1 49 49 HIS H H 49 8.630 8.630 8.449 0.181 17818 3872 1 8 . 1 1 50 50 TYR N N 50 116.800 116.800 121.083 -4.283 17818 3873 1 8 . 1 1 50 50 TYR HA H 50 6.230 6.230 4.949 1.281 17818 3874 1 8 . 1 1 50 50 TYR CA C 50 56.000 56.000 56.121 -0.121 17818 3875 1 8 . 1 1 50 50 TYR CB C 50 43.500 43.500 41.702 1.798 17818 3876 1 8 . 1 1 50 50 TYR H H 50 9.870 9.870 8.836 1.034 17818 3877 1 8 . 1 1 51 51 ASP N N 51 120.400 120.400 121.084 -0.684 17818 3878 1 8 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.795 0.155 17818 3879 1 8 . 1 1 51 51 ASP CA C 51 54.400 54.400 53.304 1.096 17818 3880 1 8 . 1 1 51 51 ASP CB C 51 44.900 44.900 44.005 0.895 17818 3881 1 8 . 1 1 51 51 ASP H H 51 8.840 8.840 8.565 0.275 17818 3882 1 8 . 1 1 52 52 GLY N N 52 112.500 112.500 112.025 0.475 17818 3883 1 8 . 1 1 52 52 GLY CA C 52 45.300 45.300 44.744 0.556 17818 3884 1 8 . 1 1 52 52 GLY H H 52 9.130 9.130 7.932 1.198 17818 3885 1 8 . 1 1 53 53 ARG N N 53 125.200 125.200 120.742 4.458 17818 3886 1 8 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.386 0.644 17818 3887 1 8 . 1 1 53 53 ARG CA C 53 53.900 53.900 55.331 -1.431 17818 3888 1 8 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.511 0.289 17818 3889 1 8 . 1 1 53 53 ARG H H 53 9.370 9.370 7.924 1.446 17818 3890 1 8 . 1 1 54 54 PHE N N 54 119.400 119.400 121.291 -1.891 17818 3891 1 8 . 1 1 54 54 PHE HA H 54 4.240 4.240 5.029 -0.789 17818 3892 1 8 . 1 1 54 54 PHE CA C 54 57.300 57.300 56.184 1.116 17818 3893 1 8 . 1 1 54 54 PHE CB C 54 37.700 37.700 39.298 -1.598 17818 3894 1 8 . 1 1 54 54 PHE H H 54 8.770 8.770 8.870 -0.100 17818 3895 1 8 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.323 -0.043 17818 3896 1 8 . 1 1 55 55 PRO CA C 55 65.700 65.700 64.519 1.181 17818 3897 1 8 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.802 -0.002 17818 3898 1 8 . 1 1 56 56 ASP N N 56 113.600 113.600 118.465 -4.865 17818 3899 1 8 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.564 -0.094 17818 3900 1 8 . 1 1 56 56 ASP CA C 56 53.900 53.900 54.946 -1.046 17818 3901 1 8 . 1 1 56 56 ASP CB C 56 39.800 39.800 40.609 -0.809 17818 3902 1 8 . 1 1 56 56 ASP H H 56 7.780 7.780 8.263 -0.483 17818 3903 1 8 . 1 1 57 57 GLY N N 57 108.700 108.700 105.720 2.980 17818 3904 1 8 . 1 1 57 57 GLY CA C 57 44.900 44.900 44.972 -0.072 17818 3905 1 8 . 1 1 57 57 GLY H H 57 8.440 8.440 7.985 0.455 17818 3906 1 8 . 1 1 58 58 LYS N N 58 122.800 122.800 118.952 3.848 17818 3907 1 8 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.641 -0.391 17818 3908 1 8 . 1 1 58 58 LYS CA C 58 57.500 57.500 55.086 2.414 17818 3909 1 8 . 1 1 58 58 LYS CB C 58 32.600 32.600 34.949 -2.349 17818 3910 1 8 . 1 1 58 58 LYS H H 58 8.230 8.230 7.764 0.466 17818 3911 1 8 . 1 1 59 59 GLN N N 59 125.800 125.800 121.188 4.612 17818 3912 1 8 . 1 1 59 59 GLN HA H 59 4.450 4.450 5.018 -0.568 17818 3913 1 8 . 1 1 59 59 GLN CA C 59 56.300 56.300 55.219 1.081 17818 3914 1 8 . 1 1 59 59 GLN CB C 59 30.900 30.900 30.828 0.072 17818 3915 1 8 . 1 1 59 59 GLN H H 59 8.810 8.810 8.507 0.303 17818 3916 1 8 . 1 1 60 60 PHE N N 60 121.200 121.200 118.005 3.195 17818 3917 1 8 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.804 0.296 17818 3918 1 8 . 1 1 60 60 PHE CA C 60 56.500 56.500 57.977 -1.477 17818 3919 1 8 . 1 1 60 60 PHE CB C 60 40.900 40.900 39.565 1.335 17818 3920 1 8 . 1 1 60 60 PHE H H 60 8.340 8.340 8.521 -0.181 17818 3921 1 8 . 1 1 61 61 ASP N N 61 119.100 119.100 119.791 -0.691 17818 3922 1 8 . 1 1 61 61 ASP CA C 61 54.700 54.700 52.834 1.866 17818 3923 1 8 . 1 1 61 61 ASP CB C 61 44.200 44.200 43.207 0.993 17818 3924 1 8 . 1 1 61 61 ASP H H 61 7.030 7.030 7.394 -0.364 17818 3925 1 8 . 1 1 62 62 SER N N 62 117.400 117.400 119.983 -2.583 17818 3926 1 8 . 1 1 62 62 SER CA C 62 57.000 57.000 57.328 -0.328 17818 3927 1 8 . 1 1 62 62 SER CB C 62 64.800 64.800 62.914 1.885 17818 3928 1 8 . 1 1 62 62 SER H H 62 8.100 8.100 8.564 -0.464 17818 3929 1 8 . 1 1 63 63 SER N N 63 123.600 123.600 121.277 2.323 17818 3930 1 8 . 1 1 63 63 SER HA H 63 4.200 4.200 4.300 -0.100 17818 3931 1 8 . 1 1 63 63 SER CA C 63 61.300 61.300 60.850 0.450 17818 3932 1 8 . 1 1 63 63 SER CB C 63 61.300 61.300 63.215 -1.915 17818 3933 1 8 . 1 1 63 63 SER H H 63 8.070 8.070 8.442 -0.372 17818 3934 1 8 . 1 1 64 64 ARG N N 64 124.000 124.000 121.275 2.725 17818 3935 1 8 . 1 1 64 64 ARG HA H 64 3.620 3.620 4.381 -0.761 17818 3936 1 8 . 1 1 64 64 ARG CA C 64 59.300 59.300 59.203 0.097 17818 3937 1 8 . 1 1 64 64 ARG CB C 64 28.800 28.800 29.371 -0.571 17818 3938 1 8 . 1 1 64 64 ARG H H 64 8.810 8.810 8.469 0.341 17818 3939 1 8 . 1 1 65 65 SER N N 65 114.600 114.600 115.897 -1.297 17818 3940 1 8 . 1 1 65 65 SER HA H 65 4.190 4.190 4.367 -0.177 17818 3941 1 8 . 1 1 65 65 SER CA C 65 60.700 60.700 60.654 0.046 17818 3942 1 8 . 1 1 65 65 SER CB C 65 62.700 62.700 62.969 -0.269 17818 3943 1 8 . 1 1 65 65 SER H H 65 7.800 7.800 7.865 -0.065 17818 3944 1 8 . 1 1 66 66 ARG N N 66 118.000 118.000 119.355 -1.355 17818 3945 1 8 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.374 0.046 17818 3946 1 8 . 1 1 66 66 ARG CA C 66 57.100 57.100 56.399 0.701 17818 3947 1 8 . 1 1 66 66 ARG CB C 66 31.500 31.500 30.589 0.911 17818 3948 1 8 . 1 1 66 66 ARG H H 66 7.110 7.110 7.403 -0.293 17818 3949 1 8 . 1 1 67 67 GLY N N 67 106.700 106.700 107.511 -0.811 17818 3950 1 8 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.705 0.095 17818 3951 1 8 . 1 1 67 67 GLY H H 67 7.800 7.800 7.636 0.164 17818 3952 1 8 . 1 1 68 68 LYS N N 68 117.600 117.600 121.357 -3.757 17818 3953 1 8 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.681 0.329 17818 3954 1 8 . 1 1 68 68 LYS CA C 68 53.100 53.100 53.542 -0.442 17818 3955 1 8 . 1 1 68 68 LYS CB C 68 34.900 34.900 33.467 1.433 17818 3956 1 8 . 1 1 68 68 LYS H H 68 7.440 7.440 7.974 -0.534 17818 3957 1 8 . 1 1 69 69 PRO HA H 69 4.060 4.060 4.928 -0.868 17818 3958 1 8 . 1 1 69 69 PRO CA C 69 62.700 62.700 62.405 0.295 17818 3959 1 8 . 1 1 69 69 PRO CB C 69 32.300 32.300 32.615 -0.315 17818 3960 1 8 . 1 1 70 70 PHE N N 70 123.200 123.200 120.030 3.170 17818 3961 1 8 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.926 0.114 17818 3962 1 8 . 1 1 70 70 PHE CA C 70 57.100 57.100 57.795 -0.696 17818 3963 1 8 . 1 1 70 70 PHE CB C 70 42.900 42.900 43.167 -0.267 17818 3964 1 8 . 1 1 70 70 PHE H H 70 9.180 9.180 9.091 0.089 17818 3965 1 8 . 1 1 71 71 GLN N N 71 126.000 126.000 125.356 0.644 17818 3966 1 8 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.446 0.304 17818 3967 1 8 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.317 -1.017 17818 3968 1 8 . 1 1 71 71 GLN CB C 71 32.900 32.900 31.532 1.368 17818 3969 1 8 . 1 1 71 71 GLN H H 71 8.020 8.020 8.038 -0.018 17818 3970 1 8 . 1 1 72 72 PHE N N 72 116.800 116.800 117.936 -1.136 17818 3971 1 8 . 1 1 72 72 PHE HA H 72 4.700 4.700 4.829 -0.129 17818 3972 1 8 . 1 1 72 72 PHE CA C 72 55.500 55.500 56.544 -1.044 17818 3973 1 8 . 1 1 72 72 PHE CB C 72 40.900 40.900 40.933 -0.033 17818 3974 1 8 . 1 1 72 72 PHE H H 72 8.110 8.110 8.892 -0.782 17818 3975 1 8 . 1 1 73 73 THR N N 73 118.800 118.800 117.394 1.406 17818 3976 1 8 . 1 1 73 73 THR HA H 73 3.960 3.960 4.499 -0.539 17818 3977 1 8 . 1 1 73 73 THR CA C 73 62.600 62.600 63.127 -0.527 17818 3978 1 8 . 1 1 73 73 THR CB C 73 67.500 67.500 68.785 -1.285 17818 3979 1 8 . 1 1 73 73 THR H H 73 9.080 9.080 8.539 0.541 17818 3980 1 8 . 1 1 74 74 LEU N N 74 132.500 132.500 129.234 3.266 17818 3981 1 8 . 1 1 74 74 LEU HA H 74 4.140 4.140 3.973 0.167 17818 3982 1 8 . 1 1 74 74 LEU CA C 74 56.800 56.800 55.869 0.931 17818 3983 1 8 . 1 1 74 74 LEU CB C 74 41.800 41.800 42.514 -0.714 17818 3984 1 8 . 1 1 74 74 LEU H H 74 8.220 8.220 8.470 -0.250 17818 3985 1 8 . 1 1 75 75 GLY N N 75 118.100 118.100 113.369 4.731 17818 3986 1 8 . 1 1 75 75 GLY CA C 75 46.200 46.200 45.326 0.874 17818 3987 1 8 . 1 1 75 75 GLY H H 75 9.850 9.850 9.527 0.323 17818 3988 1 8 . 1 1 76 76 ALA N N 76 120.600 120.600 124.510 -3.910 17818 3989 1 8 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.558 -0.058 17818 3990 1 8 . 1 1 76 76 ALA CA C 76 51.900 51.900 51.431 0.469 17818 3991 1 8 . 1 1 76 76 ALA CB C 76 20.200 20.200 19.931 0.269 17818 3992 1 8 . 1 1 76 76 ALA H H 76 7.550 7.550 7.621 -0.071 17818 3993 1 8 . 1 1 77 77 GLY N N 77 110.500 110.500 104.247 6.253 17818 3994 1 8 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.447 0.953 17818 3995 1 8 . 1 1 77 77 GLY H H 77 8.790 8.790 8.444 0.346 17818 3996 1 8 . 1 1 78 78 GLU N N 78 119.400 119.400 119.772 -0.372 17818 3997 1 8 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.179 -0.029 17818 3998 1 8 . 1 1 78 78 GLU CA C 78 57.200 57.200 58.057 -0.857 17818 3999 1 8 . 1 1 78 78 GLU CB C 78 30.900 30.900 29.971 0.929 17818 4000 1 8 . 1 1 78 78 GLU H H 78 9.240 9.240 8.719 0.521 17818 4001 1 8 . 1 1 79 79 VAL N N 79 108.600 108.600 112.240 -3.640 17818 4002 1 8 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.423 -0.203 17818 4003 1 8 . 1 1 79 79 VAL CA C 79 57.300 57.300 59.630 -2.329 17818 4004 1 8 . 1 1 79 79 VAL CB C 79 35.400 35.400 34.557 0.843 17818 4005 1 8 . 1 1 79 79 VAL H H 79 6.760 6.760 7.397 -0.637 17818 4006 1 8 . 1 1 80 80 ILE N N 80 111.800 111.800 114.477 -2.677 17818 4007 1 8 . 1 1 80 80 ILE HA H 80 3.800 3.800 3.916 -0.116 17818 4008 1 8 . 1 1 80 80 ILE CA C 80 61.800 61.800 61.433 0.367 17818 4009 1 8 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.292 -0.292 17818 4010 1 8 . 1 1 80 80 ILE H H 80 7.300 7.300 7.876 -0.576 17818 4011 1 8 . 1 1 81 81 LYS N N 81 124.700 124.700 126.356 -1.656 17818 4012 1 8 . 1 1 81 81 LYS HA H 81 4.160 4.160 4.001 0.159 17818 4013 1 8 . 1 1 81 81 LYS CA C 81 59.700 59.700 59.221 0.479 17818 4014 1 8 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.379 1.421 17818 4015 1 8 . 1 1 81 81 LYS H H 81 8.880 8.880 8.657 0.223 17818 4016 1 8 . 1 1 82 82 GLY N N 82 101.700 101.700 108.473 -6.773 17818 4017 1 8 . 1 1 82 82 GLY CA C 82 47.300 47.300 47.134 0.166 17818 4018 1 8 . 1 1 82 82 GLY H H 82 9.580 9.580 7.884 1.696 17818 4019 1 8 . 1 1 83 83 TRP N N 83 119.300 119.300 121.732 -2.432 17818 4020 1 8 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.353 -0.343 17818 4021 1 8 . 1 1 83 83 TRP CA C 83 59.300 59.300 57.351 1.949 17818 4022 1 8 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.544 0.556 17818 4023 1 8 . 1 1 83 83 TRP H H 83 7.450 7.450 7.481 -0.031 17818 4024 1 8 . 1 1 84 84 ASP N N 84 120.900 120.900 119.925 0.975 17818 4025 1 8 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.462 -0.462 17818 4026 1 8 . 1 1 84 84 ASP CA C 84 58.200 58.200 57.974 0.226 17818 4027 1 8 . 1 1 84 84 ASP CB C 84 41.000 41.000 40.803 0.197 17818 4028 1 8 . 1 1 84 84 ASP H H 84 7.120 7.120 8.496 -1.376 17818 4029 1 8 . 1 1 85 85 GLN N N 85 114.500 114.500 118.030 -3.530 17818 4030 1 8 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.151 -0.151 17818 4031 1 8 . 1 1 85 85 GLN CA C 85 58.200 58.200 57.851 0.349 17818 4032 1 8 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.364 0.536 17818 4033 1 8 . 1 1 85 85 GLN H H 85 8.360 8.360 8.188 0.172 17818 4034 1 8 . 1 1 86 86 GLY N N 86 106.300 106.300 108.313 -2.013 17818 4035 1 8 . 1 1 86 86 GLY CA C 86 47.700 47.700 46.715 0.985 17818 4036 1 8 . 1 1 86 86 GLY H H 86 7.960 7.960 7.907 0.053 17818 4037 1 8 . 1 1 87 87 VAL N N 87 125.300 125.300 120.973 4.327 17818 4038 1 8 . 1 1 87 87 VAL HA H 87 3.630 3.630 3.875 -0.245 17818 4039 1 8 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.201 2.199 17818 4040 1 8 . 1 1 87 87 VAL CB C 87 30.300 30.300 31.931 -1.631 17818 4041 1 8 . 1 1 87 87 VAL H H 87 9.090 9.090 8.072 1.018 17818 4042 1 8 . 1 1 88 88 ALA N N 88 116.500 116.500 122.641 -6.141 17818 4043 1 8 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.152 -0.162 17818 4044 1 8 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.663 -0.363 17818 4045 1 8 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.633 -0.033 17818 4046 1 8 . 1 1 88 88 ALA H H 88 6.750 6.750 8.072 -1.322 17818 4047 1 8 . 1 1 89 89 THR N N 89 105.500 105.500 113.619 -8.119 17818 4048 1 8 . 1 1 89 89 THR HA H 89 4.520 4.520 4.545 -0.025 17818 4049 1 8 . 1 1 89 89 THR CA C 89 62.300 62.300 62.125 0.175 17818 4050 1 8 . 1 1 89 89 THR CB C 89 71.100 71.100 69.120 1.980 17818 4051 1 8 . 1 1 89 89 THR H H 89 7.400 7.400 8.132 -0.732 17818 4052 1 8 . 1 1 90 90 MET N N 90 122.400 122.400 116.871 5.529 17818 4053 1 8 . 1 1 90 90 MET CA C 90 56.200 56.200 54.069 2.131 17818 4054 1 8 . 1 1 90 90 MET CB C 90 36.800 36.800 36.110 0.690 17818 4055 1 8 . 1 1 90 90 MET H H 90 7.550 7.550 7.551 -0.001 17818 4056 1 8 . 1 1 91 91 THR N N 91 105.200 105.200 108.582 -3.382 17818 4057 1 8 . 1 1 91 91 THR HA H 91 5.120 5.120 4.674 0.446 17818 4058 1 8 . 1 1 91 91 THR CA C 91 59.800 59.800 59.503 0.297 17818 4059 1 8 . 1 1 91 91 THR CB C 91 71.900 71.900 72.225 -0.325 17818 4060 1 8 . 1 1 91 91 THR H H 91 7.350 7.350 8.512 -1.162 17818 4061 1 8 . 1 1 92 92 LEU N N 92 121.200 121.200 121.409 -0.209 17818 4062 1 8 . 1 1 92 92 LEU HA H 92 3.600 3.600 3.898 -0.298 17818 4063 1 8 . 1 1 92 92 LEU CA C 92 58.100 58.100 55.947 2.154 17818 4064 1 8 . 1 1 92 92 LEU CB C 92 43.400 43.400 42.874 0.526 17818 4065 1 8 . 1 1 92 92 LEU H H 92 8.180 8.180 7.913 0.267 17818 4066 1 8 . 1 1 93 93 GLY N N 93 115.800 115.800 112.492 3.308 17818 4067 1 8 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.166 -0.466 17818 4068 1 8 . 1 1 93 93 GLY H H 93 8.490 8.490 8.574 -0.084 17818 4069 1 8 . 1 1 94 94 GLU N N 94 123.700 123.700 120.152 3.548 17818 4070 1 8 . 1 1 94 94 GLU HA H 94 4.290 4.290 5.167 -0.877 17818 4071 1 8 . 1 1 94 94 GLU CA C 94 56.100 56.100 54.524 1.576 17818 4072 1 8 . 1 1 94 94 GLU CB C 94 33.500 33.500 33.715 -0.215 17818 4073 1 8 . 1 1 94 94 GLU H H 94 8.650 8.650 7.654 0.996 17818 4074 1 8 . 1 1 95 95 LYS N N 95 124.200 124.200 125.623 -1.423 17818 4075 1 8 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.330 0.230 17818 4076 1 8 . 1 1 95 95 LYS CA C 95 54.600 54.600 55.217 -0.617 17818 4077 1 8 . 1 1 95 95 LYS CB C 95 35.300 35.300 36.750 -1.450 17818 4078 1 8 . 1 1 95 95 LYS H H 95 8.950 8.950 8.821 0.129 17818 4079 1 8 . 1 1 96 96 ALA N N 96 129.100 129.100 128.008 1.092 17818 4080 1 8 . 1 1 96 96 ALA HA H 96 4.990 4.990 5.282 -0.292 17818 4081 1 8 . 1 1 96 96 ALA CA C 96 50.500 50.500 50.599 -0.099 17818 4082 1 8 . 1 1 96 96 ALA CB C 96 23.900 23.900 23.337 0.563 17818 4083 1 8 . 1 1 96 96 ALA H H 96 9.530 9.530 9.069 0.461 17818 4084 1 8 . 1 1 97 97 LEU N N 97 122.200 122.200 121.872 0.328 17818 4085 1 8 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.715 0.465 17818 4086 1 8 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.108 -1.108 17818 4087 1 8 . 1 1 97 97 LEU CB C 97 45.800 45.800 43.402 2.398 17818 4088 1 8 . 1 1 97 97 LEU H H 97 9.100 9.100 8.775 0.325 17818 4089 1 8 . 1 1 98 98 PHE N N 98 125.800 125.800 129.561 -3.761 17818 4090 1 8 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.792 -0.092 17818 4091 1 8 . 1 1 98 98 PHE CA C 98 56.500 56.500 55.464 1.036 17818 4092 1 8 . 1 1 98 98 PHE CB C 98 42.300 42.300 43.022 -0.722 17818 4093 1 8 . 1 1 98 98 PHE H H 98 9.940 9.940 9.361 0.579 17818 4094 1 8 . 1 1 99 99 THR N N 99 121.600 121.600 125.416 -3.816 17818 4095 1 8 . 1 1 99 99 THR CA C 99 63.500 63.500 63.119 0.381 17818 4096 1 8 . 1 1 99 99 THR CB C 99 68.600 68.600 68.593 0.007 17818 4097 1 8 . 1 1 99 99 THR H H 99 9.100 9.100 8.684 0.416 17818 4098 1 8 . 1 1 100 100 ILE N N 100 127.400 127.400 129.156 -1.756 17818 4099 1 8 . 1 1 100 100 ILE CA C 100 58.700 58.700 56.809 1.891 17818 4100 1 8 . 1 1 100 100 ILE CB C 100 39.400 39.400 37.367 2.033 17818 4101 1 8 . 1 1 100 100 ILE H H 100 9.880 9.880 9.064 0.816 17818 4102 1 8 . 1 1 101 101 PRO CA C 101 62.200 62.200 62.378 -0.178 17818 4103 1 8 . 1 1 101 101 PRO CB C 101 32.500 32.500 31.791 0.709 17818 4104 1 8 . 1 1 102 102 TYR N N 102 118.100 118.100 122.111 -4.011 17818 4105 1 8 . 1 1 102 102 TYR HA H 102 4.470 4.470 4.059 0.411 17818 4106 1 8 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.587 0.512 17818 4107 1 8 . 1 1 102 102 TYR CB C 102 37.000 37.000 37.236 -0.236 17818 4108 1 8 . 1 1 102 102 TYR H H 102 8.450 8.450 8.400 0.050 17818 4109 1 8 . 1 1 103 103 GLN N N 103 123.800 123.800 117.505 6.295 17818 4110 1 8 . 1 1 103 103 GLN HA H 103 4.050 4.050 3.930 0.120 17818 4111 1 8 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.833 1.667 17818 4112 1 8 . 1 1 103 103 GLN CB C 103 27.300 27.300 28.239 -0.939 17818 4113 1 8 . 1 1 103 103 GLN H H 103 9.080 9.080 7.789 1.291 17818 4114 1 8 . 1 1 104 104 LEU N N 104 116.800 116.800 118.132 -1.332 17818 4115 1 8 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.375 0.145 17818 4116 1 8 . 1 1 104 104 LEU CA C 104 53.100 53.100 53.913 -0.813 17818 4117 1 8 . 1 1 104 104 LEU CB C 104 43.400 43.400 41.715 1.685 17818 4118 1 8 . 1 1 104 104 LEU H H 104 7.790 7.790 7.575 0.215 17818 4119 1 8 . 1 1 105 105 ALA N N 105 125.400 125.400 120.785 4.615 17818 4120 1 8 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.430 0.040 17818 4121 1 8 . 1 1 105 105 ALA CA C 105 51.000 51.000 51.091 -0.091 17818 4122 1 8 . 1 1 105 105 ALA CB C 105 18.900 18.900 20.623 -1.723 17818 4123 1 8 . 1 1 105 105 ALA H H 105 7.780 7.780 7.263 0.517 17818 4124 1 8 . 1 1 106 106 TYR N N 106 122.000 122.000 117.249 4.751 17818 4125 1 8 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.452 0.158 17818 4126 1 8 . 1 1 106 106 TYR CA C 106 59.300 59.300 58.393 0.907 17818 4127 1 8 . 1 1 106 106 TYR CB C 106 37.400 37.400 38.027 -0.627 17818 4128 1 8 . 1 1 106 106 TYR H H 106 9.430 9.430 8.420 1.010 17818 4129 1 8 . 1 1 107 107 GLY N N 107 105.500 105.500 108.756 -3.256 17818 4130 1 8 . 1 1 107 107 GLY CA C 107 46.500 46.500 46.415 0.085 17818 4131 1 8 . 1 1 107 107 GLY H H 107 8.490 8.490 8.012 0.478 17818 4132 1 8 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.177 -0.667 17818 4133 1 8 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.626 -0.126 17818 4134 1 8 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.513 0.087 17818 4135 1 8 . 1 1 109 109 ARG N N 109 115.900 115.900 120.119 -4.219 17818 4136 1 8 . 1 1 109 109 ARG HA H 109 4.180 4.180 3.999 0.181 17818 4137 1 8 . 1 1 109 109 ARG CA C 109 57.400 57.400 56.598 0.802 17818 4138 1 8 . 1 1 109 109 ARG CB C 109 30.700 30.700 30.096 0.604 17818 4139 1 8 . 1 1 109 109 ARG H H 109 8.840 8.840 7.515 1.325 17818 4140 1 8 . 1 1 110 110 GLY N N 110 130.700 130.700 108.999 21.701 17818 4141 1 8 . 1 1 110 110 GLY CA C 110 44.800 44.800 45.577 -0.777 17818 4142 1 8 . 1 1 110 110 GLY H H 110 7.140 7.140 8.160 -1.020 17818 4143 1 8 . 1 1 111 111 TYR N N 111 119.700 119.700 122.674 -2.974 17818 4144 1 8 . 1 1 111 111 TYR CA C 111 54.500 54.500 60.693 -6.193 17818 4145 1 8 . 1 1 111 111 TYR CB C 111 38.600 38.600 36.811 1.789 17818 4146 1 8 . 1 1 111 111 TYR H H 111 8.570 8.570 8.718 -0.148 17818 4147 1 8 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.589 -0.789 17818 4148 1 8 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.685 2.615 17818 4149 1 8 . 1 1 114 114 VAL N N 114 122.900 122.900 115.665 7.235 17818 4150 1 8 . 1 1 114 114 VAL HA H 114 3.850 3.850 3.888 -0.038 17818 4151 1 8 . 1 1 114 114 VAL CA C 114 65.600 65.600 64.091 1.509 17818 4152 1 8 . 1 1 114 114 VAL CB C 114 33.000 33.000 31.646 1.354 17818 4153 1 8 . 1 1 114 114 VAL H H 114 7.870 7.870 7.829 0.041 17818 4154 1 8 . 1 1 115 115 ILE N N 115 118.100 118.100 121.448 -3.348 17818 4155 1 8 . 1 1 115 115 ILE CA C 115 56.300 56.300 57.061 -0.761 17818 4156 1 8 . 1 1 115 115 ILE CB C 115 37.700 37.700 37.714 -0.014 17818 4157 1 8 . 1 1 115 115 ILE H H 115 7.550 7.550 7.757 -0.207 17818 4158 1 8 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.354 -0.734 17818 4159 1 8 . 1 1 117 117 PRO CA C 117 63.400 63.400 63.347 0.053 17818 4160 1 8 . 1 1 117 117 PRO CB C 117 32.800 32.800 32.049 0.751 17818 4161 1 8 . 1 1 118 118 LYS N N 118 115.100 115.100 115.490 -0.390 17818 4162 1 8 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.407 -0.827 17818 4163 1 8 . 1 1 118 118 LYS CA C 118 57.900 57.900 57.101 0.799 17818 4164 1 8 . 1 1 118 118 LYS CB C 118 29.700 29.700 30.180 -0.480 17818 4165 1 8 . 1 1 118 118 LYS H H 118 7.330 7.330 8.355 -1.025 17818 4166 1 8 . 1 1 119 119 ALA N N 119 121.900 121.900 120.866 1.034 17818 4167 1 8 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.455 -0.005 17818 4168 1 8 . 1 1 119 119 ALA CA C 119 52.700 52.700 51.858 0.842 17818 4169 1 8 . 1 1 119 119 ALA CB C 119 20.100 20.100 20.658 -0.558 17818 4170 1 8 . 1 1 119 119 ALA H H 119 7.900 7.900 7.675 0.225 17818 4171 1 8 . 1 1 120 120 THR N N 120 121.800 121.800 119.378 2.422 17818 4172 1 8 . 1 1 120 120 THR CA C 120 63.100 63.100 62.754 0.346 17818 4173 1 8 . 1 1 120 120 THR CB C 120 69.800 69.800 69.614 0.186 17818 4174 1 8 . 1 1 120 120 THR H H 120 8.170 8.170 8.485 -0.315 17818 4175 1 8 . 1 1 121 121 LEU N N 121 124.200 124.200 124.929 -0.729 17818 4176 1 8 . 1 1 121 121 LEU CA C 121 53.100 53.100 52.804 0.296 17818 4177 1 8 . 1 1 121 121 LEU CB C 121 46.300 46.300 46.152 0.148 17818 4178 1 8 . 1 1 121 121 LEU H H 121 8.640 8.640 8.815 -0.175 17818 4179 1 8 . 1 1 122 122 VAL N N 122 122.200 122.200 119.311 2.889 17818 4180 1 8 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.711 0.579 17818 4181 1 8 . 1 1 122 122 VAL CA C 122 60.700 60.700 61.590 -0.890 17818 4182 1 8 . 1 1 122 122 VAL CB C 122 33.300 33.300 34.637 -1.337 17818 4183 1 8 . 1 1 122 122 VAL H H 122 8.860 8.860 8.536 0.324 17818 4184 1 8 . 1 1 123 123 PHE N N 123 122.900 122.900 124.908 -2.008 17818 4185 1 8 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.191 0.209 17818 4186 1 8 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.543 -1.143 17818 4187 1 8 . 1 1 123 123 PHE CB C 123 44.000 44.000 43.577 0.423 17818 4188 1 8 . 1 1 123 123 PHE H H 123 9.620 9.620 9.468 0.152 17818 4189 1 8 . 1 1 124 124 GLU N N 124 125.500 125.500 125.386 0.114 17818 4190 1 8 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.931 0.969 17818 4191 1 8 . 1 1 124 124 GLU CA C 124 55.600 55.600 55.430 0.170 17818 4192 1 8 . 1 1 124 124 GLU CB C 124 31.800 31.800 30.881 0.919 17818 4193 1 8 . 1 1 124 124 GLU H H 124 9.180 9.180 9.016 0.164 17818 4194 1 8 . 1 1 125 125 VAL N N 125 128.100 128.100 121.354 6.746 17818 4195 1 8 . 1 1 125 125 VAL CA C 125 61.300 61.300 60.009 1.291 17818 4196 1 8 . 1 1 125 125 VAL CB C 125 35.800 35.800 33.728 2.072 17818 4197 1 8 . 1 1 125 125 VAL H H 125 9.600 9.600 9.004 0.596 17818 4198 1 8 . 1 1 126 126 GLU N N 126 128.500 128.500 125.564 2.936 17818 4199 1 8 . 1 1 126 126 GLU HA H 126 5.630 5.630 4.869 0.761 17818 4200 1 8 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.346 -0.846 17818 4201 1 8 . 1 1 126 126 GLU CB C 126 34.000 34.000 34.094 -0.094 17818 4202 1 8 . 1 1 126 126 GLU H H 126 9.420 9.420 8.810 0.610 17818 4203 1 8 . 1 1 127 127 LEU N N 127 127.900 127.900 128.930 -1.030 17818 4204 1 8 . 1 1 127 127 LEU CA C 127 55.100 55.100 53.706 1.394 17818 4205 1 8 . 1 1 127 127 LEU CB C 127 41.400 41.400 42.050 -0.650 17818 4206 1 8 . 1 1 127 127 LEU H H 127 8.720 8.720 8.951 -0.231 17818 4207 1 8 . 1 1 128 128 LEU N N 128 128.700 128.700 128.931 -0.231 17818 4208 1 8 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.513 -0.113 17818 4209 1 8 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.822 0.078 17818 4210 1 8 . 1 1 128 128 LEU CB C 128 43.700 43.700 42.142 1.558 17818 4211 1 8 . 1 1 128 128 LEU H H 128 8.690 8.690 8.820 -0.130 17818 4212 1 8 . 1 1 129 129 ALA N N 129 118.600 118.600 117.495 1.105 17818 4213 1 8 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.576 -0.116 17818 4214 1 8 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.376 1.424 17818 4215 1 8 . 1 1 129 129 ALA CB C 129 21.100 21.100 21.517 -0.417 17818 4216 1 8 . 1 1 129 129 ALA H H 129 7.810 7.810 7.987 -0.177 17818 4217 1 9 . 1 1 8 8 HIS CA C 8 54.700 54.700 54.804 -0.104 17818 4218 1 9 . 1 1 8 8 HIS CB C 8 31.200 31.200 29.280 1.920 17818 4219 1 9 . 1 1 9 9 MET N N 9 120.000 120.000 125.936 -5.936 17818 4220 1 9 . 1 1 9 9 MET HA H 9 4.280 4.280 4.221 0.059 17818 4221 1 9 . 1 1 9 9 MET CA C 9 55.500 55.500 57.878 -2.378 17818 4222 1 9 . 1 1 9 9 MET CB C 9 32.500 32.500 32.739 -0.239 17818 4223 1 9 . 1 1 9 9 MET H H 9 8.110 8.110 8.069 0.041 17818 4224 1 9 . 1 1 10 10 GLY N N 10 109.800 109.800 105.046 4.754 17818 4225 1 9 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.699 0.601 17818 4226 1 9 . 1 1 10 10 GLY H H 10 8.440 8.440 8.282 0.158 17818 4227 1 9 . 1 1 11 11 THR N N 11 113.600 113.600 114.370 -0.770 17818 4228 1 9 . 1 1 11 11 THR HA H 11 4.330 4.330 4.675 -0.345 17818 4229 1 9 . 1 1 11 11 THR CA C 11 62.000 62.000 61.466 0.534 17818 4230 1 9 . 1 1 11 11 THR CB C 11 69.900 69.900 69.477 0.423 17818 4231 1 9 . 1 1 11 11 THR H H 11 8.070 8.070 7.668 0.402 17818 4232 1 9 . 1 1 12 12 LEU N N 12 124.200 124.200 125.396 -1.196 17818 4233 1 9 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.481 -0.161 17818 4234 1 9 . 1 1 12 12 LEU CA C 12 55.500 55.500 56.622 -1.122 17818 4235 1 9 . 1 1 12 12 LEU CB C 12 42.100 42.100 43.038 -0.939 17818 4236 1 9 . 1 1 12 12 LEU H H 12 8.380 8.380 8.521 -0.141 17818 4237 1 9 . 1 1 13 13 GLU N N 13 121.600 121.600 121.365 0.235 17818 4238 1 9 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.349 -0.149 17818 4239 1 9 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.834 1.066 17818 4240 1 9 . 1 1 13 13 GLU CB C 13 30.000 30.000 27.861 2.139 17818 4241 1 9 . 1 1 13 13 GLU H H 13 8.430 8.430 8.641 -0.211 17818 4242 1 9 . 1 1 14 14 ALA N N 14 124.400 124.400 122.263 2.137 17818 4243 1 9 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.142 0.128 17818 4244 1 9 . 1 1 14 14 ALA CA C 14 52.700 52.700 53.030 -0.330 17818 4245 1 9 . 1 1 14 14 ALA CB C 14 19.100 19.100 19.307 -0.207 17818 4246 1 9 . 1 1 14 14 ALA H H 14 8.290 8.290 7.609 0.681 17818 4247 1 9 . 1 1 15 15 GLN N N 15 119.100 119.100 119.724 -0.624 17818 4248 1 9 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.342 0.048 17818 4249 1 9 . 1 1 15 15 GLN CA C 15 56.000 56.000 55.045 0.955 17818 4250 1 9 . 1 1 15 15 GLN CB C 15 29.400 29.400 28.794 0.606 17818 4251 1 9 . 1 1 15 15 GLN H H 15 8.370 8.370 7.947 0.423 17818 4252 1 9 . 1 1 16 16 THR N N 16 114.900 114.900 121.622 -6.722 17818 4253 1 9 . 1 1 16 16 THR CA C 16 62.100 62.100 63.576 -1.476 17818 4254 1 9 . 1 1 16 16 THR CB C 16 69.800 69.800 69.344 0.456 17818 4255 1 9 . 1 1 16 16 THR H H 16 8.200 8.200 8.515 -0.315 17818 4256 1 9 . 1 1 17 17 GLN N N 17 122.200 122.200 127.562 -5.362 17818 4257 1 9 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.163 0.267 17818 4258 1 9 . 1 1 17 17 GLN CA C 17 55.600 55.600 56.707 -1.107 17818 4259 1 9 . 1 1 17 17 GLN CB C 17 29.700 29.700 28.958 0.742 17818 4260 1 9 . 1 1 17 17 GLN H H 17 8.420 8.420 8.622 -0.202 17818 4261 1 9 . 1 1 18 18 GLY N N 18 110.100 110.100 109.481 0.619 17818 4262 1 9 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.355 0.245 17818 4263 1 9 . 1 1 18 18 GLY H H 18 8.360 8.360 8.071 0.289 17818 4264 1 9 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.326 0.114 17818 4265 1 9 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.551 -0.951 17818 4266 1 9 . 1 1 19 19 PRO CB C 19 32.000 32.000 32.048 -0.048 17818 4267 1 9 . 1 1 20 20 GLY N N 20 109.400 109.400 104.820 4.580 17818 4268 1 9 . 1 1 20 20 GLY CA C 20 45.300 45.300 44.163 1.137 17818 4269 1 9 . 1 1 20 20 GLY H H 20 8.630 8.630 8.226 0.404 17818 4270 1 9 . 1 1 21 21 SER N N 21 115.400 115.400 118.474 -3.074 17818 4271 1 9 . 1 1 21 21 SER CA C 21 63.800 63.800 58.950 4.850 17818 4272 1 9 . 1 1 21 21 SER CB C 21 69.800 69.800 63.079 6.721 17818 4273 1 9 . 1 1 21 21 SER H H 21 4.180 4.180 7.912 -3.732 17818 4274 1 9 . 1 1 22 22 MET N N 22 121.900 121.900 128.166 -6.266 17818 4275 1 9 . 1 1 22 22 MET CA C 22 55.500 55.500 56.455 -0.955 17818 4276 1 9 . 1 1 22 22 MET CB C 22 32.800 32.800 30.693 2.107 17818 4277 1 9 . 1 1 22 22 MET H H 22 8.440 8.440 9.037 -0.597 17818 4278 1 9 . 1 1 23 23 SER N N 23 116.600 116.600 115.703 0.897 17818 4279 1 9 . 1 1 23 23 SER HA H 23 4.400 4.400 4.786 -0.386 17818 4280 1 9 . 1 1 23 23 SER CA C 23 58.300 58.300 58.415 -0.115 17818 4281 1 9 . 1 1 23 23 SER CB C 23 63.700 63.700 65.710 -2.010 17818 4282 1 9 . 1 1 23 23 SER H H 23 8.290 8.290 8.305 -0.015 17818 4283 1 9 . 1 1 24 24 ALA N N 24 125.700 125.700 122.201 3.499 17818 4284 1 9 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.464 -0.174 17818 4285 1 9 . 1 1 24 24 ALA CA C 24 52.100 52.100 52.547 -0.447 17818 4286 1 9 . 1 1 24 24 ALA CB C 24 19.300 19.300 20.008 -0.708 17818 4287 1 9 . 1 1 24 24 ALA H H 24 8.200 8.200 7.957 0.243 17818 4288 1 9 . 1 1 25 25 GLN N N 25 118.300 118.300 119.804 -1.504 17818 4289 1 9 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.627 -0.117 17818 4290 1 9 . 1 1 25 25 GLN CA C 25 54.200 54.200 55.106 -0.906 17818 4291 1 9 . 1 1 25 25 GLN CB C 25 31.300 31.300 32.403 -1.103 17818 4292 1 9 . 1 1 25 25 GLN H H 25 8.280 8.280 8.581 -0.301 17818 4293 1 9 . 1 1 26 26 LEU N N 26 122.100 122.100 125.401 -3.301 17818 4294 1 9 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.759 -0.299 17818 4295 1 9 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.539 0.761 17818 4296 1 9 . 1 1 26 26 LEU CB C 26 43.500 43.500 43.822 -0.322 17818 4297 1 9 . 1 1 26 26 LEU H H 26 8.480 8.480 8.583 -0.103 17818 4298 1 9 . 1 1 27 27 GLU N N 27 125.300 125.300 124.866 0.434 17818 4299 1 9 . 1 1 27 27 GLU CA C 27 55.300 55.300 55.006 0.294 17818 4300 1 9 . 1 1 27 27 GLU CB C 27 32.400 32.400 33.812 -1.412 17818 4301 1 9 . 1 1 27 27 GLU H H 27 8.240 8.240 7.934 0.306 17818 4302 1 9 . 1 1 28 28 LYS N N 28 125.000 125.000 119.980 5.020 17818 4303 1 9 . 1 1 28 28 LYS HA H 28 4.610 4.610 5.212 -0.602 17818 4304 1 9 . 1 1 28 28 LYS CA C 28 54.500 54.500 54.517 -0.017 17818 4305 1 9 . 1 1 28 28 LYS CB C 28 35.700 35.700 34.237 1.463 17818 4306 1 9 . 1 1 28 28 LYS H H 28 8.810 8.810 8.330 0.480 17818 4307 1 9 . 1 1 29 29 LYS N N 29 128.100 128.100 125.497 2.603 17818 4308 1 9 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.547 0.483 17818 4309 1 9 . 1 1 29 29 LYS CA C 29 55.000 55.000 54.514 0.486 17818 4310 1 9 . 1 1 29 29 LYS CB C 29 36.200 36.200 33.652 2.548 17818 4311 1 9 . 1 1 29 29 LYS H H 29 8.850 8.850 8.852 -0.002 17818 4312 1 9 . 1 1 30 30 VAL N N 30 127.200 127.200 127.887 -0.687 17818 4313 1 9 . 1 1 30 30 VAL HA H 30 3.660 3.660 4.143 -0.483 17818 4314 1 9 . 1 1 30 30 VAL CA C 30 64.800 64.800 62.868 1.932 17818 4315 1 9 . 1 1 30 30 VAL CB C 30 31.600 31.600 32.339 -0.739 17818 4316 1 9 . 1 1 30 30 VAL H H 30 9.170 9.170 8.900 0.270 17818 4317 1 9 . 1 1 31 31 LEU N N 31 129.800 129.800 129.791 0.009 17818 4318 1 9 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.497 -0.057 17818 4319 1 9 . 1 1 31 31 LEU CA C 31 56.000 56.000 56.338 -0.338 17818 4320 1 9 . 1 1 31 31 LEU CB C 31 41.800 41.800 42.447 -0.647 17818 4321 1 9 . 1 1 31 31 LEU H H 31 9.020 9.020 9.035 -0.015 17818 4322 1 9 . 1 1 32 32 THR N N 32 115.700 115.700 114.910 0.790 17818 4323 1 9 . 1 1 32 32 THR CA C 32 59.300 59.300 59.948 -0.648 17818 4324 1 9 . 1 1 32 32 THR CB C 32 72.500 72.500 70.482 2.018 17818 4325 1 9 . 1 1 32 32 THR H H 32 8.220 8.220 8.098 0.122 17818 4326 1 9 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.630 -0.340 17818 4327 1 9 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.359 0.641 17818 4328 1 9 . 1 1 33 33 PRO CB C 33 32.400 32.400 32.251 0.149 17818 4329 1 9 . 1 1 34 34 GLY N N 34 109.400 109.400 110.340 -0.940 17818 4330 1 9 . 1 1 34 34 GLY CA C 34 44.200 44.200 43.587 0.613 17818 4331 1 9 . 1 1 34 34 GLY H H 34 9.010 9.010 8.687 0.323 17818 4332 1 9 . 1 1 35 35 ASP N N 35 119.400 119.400 119.908 -0.508 17818 4333 1 9 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.374 -0.044 17818 4334 1 9 . 1 1 35 35 ASP CA C 35 54.700 54.700 56.967 -2.267 17818 4335 1 9 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.152 -1.752 17818 4336 1 9 . 1 1 35 35 ASP H H 35 8.370 8.370 8.298 0.072 17818 4337 1 9 . 1 1 36 36 GLY N N 36 107.900 107.900 108.228 -0.328 17818 4338 1 9 . 1 1 36 36 GLY CA C 36 46.000 46.000 46.863 -0.863 17818 4339 1 9 . 1 1 36 36 GLY H H 36 8.750 8.750 8.175 0.575 17818 4340 1 9 . 1 1 37 37 VAL N N 37 116.200 116.200 116.811 -0.611 17818 4341 1 9 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.237 0.263 17818 4342 1 9 . 1 1 37 37 VAL CA C 37 62.500 62.500 63.682 -1.182 17818 4343 1 9 . 1 1 37 37 VAL CB C 37 35.900 35.900 32.437 3.463 17818 4344 1 9 . 1 1 37 37 VAL H H 37 8.590 8.590 7.435 1.155 17818 4345 1 9 . 1 1 38 38 THR N N 38 126.400 126.400 114.165 12.235 17818 4346 1 9 . 1 1 38 38 THR HA H 38 4.210 4.210 4.242 -0.032 17818 4347 1 9 . 1 1 38 38 THR CA C 38 63.300 63.300 61.730 1.570 17818 4348 1 9 . 1 1 38 38 THR CB C 38 65.800 65.800 67.539 -1.739 17818 4349 1 9 . 1 1 38 38 THR H H 38 10.650 10.650 7.837 2.813 17818 4350 1 9 . 1 1 39 39 LYS N N 39 127.000 127.000 127.364 -0.364 17818 4351 1 9 . 1 1 39 39 LYS CA C 39 53.400 53.400 54.483 -1.083 17818 4352 1 9 . 1 1 39 39 LYS CB C 39 33.200 33.200 32.349 0.851 17818 4353 1 9 . 1 1 39 39 LYS H H 39 8.390 8.390 7.820 0.570 17818 4354 1 9 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.453 -0.253 17818 4355 1 9 . 1 1 40 40 PRO CB C 40 33.300 33.300 32.033 1.267 17818 4356 1 9 . 1 1 41 41 GLN N N 41 120.900 120.900 122.893 -1.993 17818 4357 1 9 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.528 -0.068 17818 4358 1 9 . 1 1 41 41 GLN CA C 41 53.700 53.700 53.877 -0.177 17818 4359 1 9 . 1 1 41 41 GLN CB C 41 31.500 31.500 29.997 1.503 17818 4360 1 9 . 1 1 41 41 GLN H H 41 8.750 8.750 8.179 0.571 17818 4361 1 9 . 1 1 42 42 ALA N N 42 125.700 125.700 121.720 3.980 17818 4362 1 9 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.186 -0.406 17818 4363 1 9 . 1 1 42 42 ALA CA C 42 53.400 53.400 52.520 0.881 17818 4364 1 9 . 1 1 42 42 ALA CB C 42 17.800 17.800 18.925 -1.125 17818 4365 1 9 . 1 1 42 42 ALA H H 42 8.550 8.550 8.174 0.376 17818 4366 1 9 . 1 1 43 43 GLY N N 43 109.700 109.700 108.263 1.437 17818 4367 1 9 . 1 1 43 43 GLY CA C 43 45.200 45.200 45.069 0.131 17818 4368 1 9 . 1 1 43 43 GLY H H 43 8.970 8.970 8.611 0.359 17818 4369 1 9 . 1 1 44 44 LYS N N 44 120.300 120.300 120.806 -0.506 17818 4370 1 9 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.513 0.157 17818 4371 1 9 . 1 1 44 44 LYS CA C 44 53.800 53.800 54.039 -0.239 17818 4372 1 9 . 1 1 44 44 LYS CB C 44 34.100 34.100 34.651 -0.551 17818 4373 1 9 . 1 1 44 44 LYS H H 44 7.920 7.920 7.391 0.529 17818 4374 1 9 . 1 1 45 45 LYS N N 45 120.800 120.800 125.916 -5.116 17818 4375 1 9 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.372 0.148 17818 4376 1 9 . 1 1 45 45 LYS CA C 45 56.300 56.300 55.582 0.718 17818 4377 1 9 . 1 1 45 45 LYS CB C 45 32.900 32.900 31.569 1.331 17818 4378 1 9 . 1 1 45 45 LYS H H 45 8.340 8.340 8.670 -0.330 17818 4379 1 9 . 1 1 46 46 VAL N N 46 117.600 117.600 123.160 -5.560 17818 4380 1 9 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.470 0.090 17818 4381 1 9 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.789 -0.889 17818 4382 1 9 . 1 1 46 46 VAL CB C 46 33.900 33.900 33.394 0.506 17818 4383 1 9 . 1 1 46 46 VAL H H 46 8.560 8.560 8.524 0.036 17818 4384 1 9 . 1 1 47 47 THR N N 47 115.600 115.600 123.005 -7.405 17818 4385 1 9 . 1 1 47 47 THR HA H 47 5.100 5.100 4.870 0.231 17818 4386 1 9 . 1 1 47 47 THR CA C 47 61.600 61.600 62.282 -0.682 17818 4387 1 9 . 1 1 47 47 THR CB C 47 69.800 69.800 68.820 0.980 17818 4388 1 9 . 1 1 47 47 THR H H 47 8.130 8.130 8.799 -0.669 17818 4389 1 9 . 1 1 48 48 VAL N N 48 118.100 118.100 122.667 -4.567 17818 4390 1 9 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.365 0.425 17818 4391 1 9 . 1 1 48 48 VAL CA C 48 58.000 58.000 58.606 -0.606 17818 4392 1 9 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.299 0.201 17818 4393 1 9 . 1 1 48 48 VAL H H 48 9.740 9.740 9.263 0.477 17818 4394 1 9 . 1 1 49 49 HIS N N 49 119.000 119.000 119.955 -0.955 17818 4395 1 9 . 1 1 49 49 HIS HA H 49 5.810 5.810 5.148 0.662 17818 4396 1 9 . 1 1 49 49 HIS CA C 49 54.600 54.600 53.608 0.992 17818 4397 1 9 . 1 1 49 49 HIS CB C 49 35.600 35.600 33.344 2.256 17818 4398 1 9 . 1 1 49 49 HIS H H 49 8.630 8.630 8.900 -0.270 17818 4399 1 9 . 1 1 50 50 TYR N N 50 116.800 116.800 123.225 -6.425 17818 4400 1 9 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.658 0.572 17818 4401 1 9 . 1 1 50 50 TYR CA C 50 56.000 56.000 54.976 1.024 17818 4402 1 9 . 1 1 50 50 TYR CB C 50 43.500 43.500 40.896 2.604 17818 4403 1 9 . 1 1 50 50 TYR H H 50 9.870 9.870 8.317 1.553 17818 4404 1 9 . 1 1 51 51 ASP N N 51 120.400 120.400 121.974 -1.574 17818 4405 1 9 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.752 0.198 17818 4406 1 9 . 1 1 51 51 ASP CA C 51 54.400 54.400 53.305 1.095 17818 4407 1 9 . 1 1 51 51 ASP CB C 51 44.900 44.900 44.643 0.257 17818 4408 1 9 . 1 1 51 51 ASP H H 51 8.840 8.840 8.512 0.328 17818 4409 1 9 . 1 1 52 52 GLY N N 52 112.500 112.500 111.853 0.647 17818 4410 1 9 . 1 1 52 52 GLY CA C 52 45.300 45.300 45.020 0.280 17818 4411 1 9 . 1 1 52 52 GLY H H 52 9.130 9.130 8.483 0.647 17818 4412 1 9 . 1 1 53 53 ARG N N 53 125.200 125.200 122.873 2.327 17818 4413 1 9 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.489 0.541 17818 4414 1 9 . 1 1 53 53 ARG CA C 53 53.900 53.900 54.999 -1.099 17818 4415 1 9 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.738 0.062 17818 4416 1 9 . 1 1 53 53 ARG H H 53 9.370 9.370 8.681 0.689 17818 4417 1 9 . 1 1 54 54 PHE N N 54 119.400 119.400 120.947 -1.547 17818 4418 1 9 . 1 1 54 54 PHE HA H 54 4.240 4.240 5.029 -0.789 17818 4419 1 9 . 1 1 54 54 PHE CA C 54 57.300 57.300 56.023 1.277 17818 4420 1 9 . 1 1 54 54 PHE CB C 54 37.700 37.700 38.985 -1.285 17818 4421 1 9 . 1 1 54 54 PHE H H 54 8.770 8.770 8.642 0.128 17818 4422 1 9 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.283 -0.003 17818 4423 1 9 . 1 1 55 55 PRO CA C 55 65.700 65.700 64.777 0.923 17818 4424 1 9 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.768 0.032 17818 4425 1 9 . 1 1 56 56 ASP N N 56 113.600 113.600 117.835 -4.235 17818 4426 1 9 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.462 0.008 17818 4427 1 9 . 1 1 56 56 ASP CA C 56 53.900 53.900 54.984 -1.084 17818 4428 1 9 . 1 1 56 56 ASP CB C 56 39.800 39.800 41.324 -1.524 17818 4429 1 9 . 1 1 56 56 ASP H H 56 7.780 7.780 8.167 -0.387 17818 4430 1 9 . 1 1 57 57 GLY N N 57 108.700 108.700 106.665 2.035 17818 4431 1 9 . 1 1 57 57 GLY CA C 57 44.900 44.900 44.719 0.181 17818 4432 1 9 . 1 1 57 57 GLY H H 57 8.440 8.440 8.103 0.337 17818 4433 1 9 . 1 1 58 58 LYS N N 58 122.800 122.800 123.673 -0.873 17818 4434 1 9 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.463 -0.213 17818 4435 1 9 . 1 1 58 58 LYS CA C 58 57.500 57.500 55.795 1.705 17818 4436 1 9 . 1 1 58 58 LYS CB C 58 32.600 32.600 33.853 -1.254 17818 4437 1 9 . 1 1 58 58 LYS H H 58 8.230 8.230 7.741 0.489 17818 4438 1 9 . 1 1 59 59 GLN N N 59 125.800 125.800 119.324 6.476 17818 4439 1 9 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.803 -0.353 17818 4440 1 9 . 1 1 59 59 GLN CA C 59 56.300 56.300 54.245 2.055 17818 4441 1 9 . 1 1 59 59 GLN CB C 59 30.900 30.900 31.631 -0.731 17818 4442 1 9 . 1 1 59 59 GLN H H 59 8.810 8.810 8.198 0.612 17818 4443 1 9 . 1 1 60 60 PHE N N 60 121.200 121.200 116.105 5.095 17818 4444 1 9 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.823 0.277 17818 4445 1 9 . 1 1 60 60 PHE CA C 60 56.500 56.500 58.252 -1.752 17818 4446 1 9 . 1 1 60 60 PHE CB C 60 40.900 40.900 40.004 0.896 17818 4447 1 9 . 1 1 60 60 PHE H H 60 8.340 8.340 8.401 -0.061 17818 4448 1 9 . 1 1 61 61 ASP N N 61 119.100 119.100 116.956 2.144 17818 4449 1 9 . 1 1 61 61 ASP CA C 61 54.700 54.700 53.408 1.292 17818 4450 1 9 . 1 1 61 61 ASP CB C 61 44.200 44.200 42.578 1.622 17818 4451 1 9 . 1 1 61 61 ASP H H 61 7.030 7.030 7.142 -0.112 17818 4452 1 9 . 1 1 62 62 SER N N 62 117.400 117.400 116.318 1.082 17818 4453 1 9 . 1 1 62 62 SER CA C 62 57.000 57.000 58.149 -1.149 17818 4454 1 9 . 1 1 62 62 SER CB C 62 64.800 64.800 63.042 1.758 17818 4455 1 9 . 1 1 62 62 SER H H 62 8.100 8.100 8.549 -0.449 17818 4456 1 9 . 1 1 63 63 SER N N 63 123.600 123.600 123.190 0.410 17818 4457 1 9 . 1 1 63 63 SER HA H 63 4.200 4.200 4.570 -0.370 17818 4458 1 9 . 1 1 63 63 SER CA C 63 61.300 61.300 59.587 1.712 17818 4459 1 9 . 1 1 63 63 SER CB C 63 61.300 61.300 63.354 -2.054 17818 4460 1 9 . 1 1 63 63 SER H H 63 8.070 8.070 9.102 -1.032 17818 4461 1 9 . 1 1 64 64 ARG N N 64 124.000 124.000 122.099 1.901 17818 4462 1 9 . 1 1 64 64 ARG HA H 64 3.620 3.620 4.118 -0.498 17818 4463 1 9 . 1 1 64 64 ARG CA C 64 59.300 59.300 59.682 -0.383 17818 4464 1 9 . 1 1 64 64 ARG CB C 64 28.800 28.800 29.532 -0.732 17818 4465 1 9 . 1 1 64 64 ARG H H 64 8.810 8.810 8.490 0.320 17818 4466 1 9 . 1 1 65 65 SER N N 65 114.600 114.600 115.328 -0.728 17818 4467 1 9 . 1 1 65 65 SER HA H 65 4.190 4.190 4.331 -0.141 17818 4468 1 9 . 1 1 65 65 SER CA C 65 60.700 60.700 60.209 0.492 17818 4469 1 9 . 1 1 65 65 SER CB C 65 62.700 62.700 62.686 0.014 17818 4470 1 9 . 1 1 65 65 SER H H 65 7.800 7.800 8.512 -0.712 17818 4471 1 9 . 1 1 66 66 ARG N N 66 118.000 118.000 120.014 -2.014 17818 4472 1 9 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.222 0.198 17818 4473 1 9 . 1 1 66 66 ARG CA C 66 57.100 57.100 56.438 0.662 17818 4474 1 9 . 1 1 66 66 ARG CB C 66 31.500 31.500 30.294 1.206 17818 4475 1 9 . 1 1 66 66 ARG H H 66 7.110 7.110 7.964 -0.854 17818 4476 1 9 . 1 1 67 67 GLY N N 67 106.700 106.700 107.893 -1.193 17818 4477 1 9 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.589 0.211 17818 4478 1 9 . 1 1 67 67 GLY H H 67 7.800 7.800 7.605 0.195 17818 4479 1 9 . 1 1 68 68 LYS N N 68 117.600 117.600 121.591 -3.991 17818 4480 1 9 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.775 0.235 17818 4481 1 9 . 1 1 68 68 LYS CA C 68 53.100 53.100 53.026 0.074 17818 4482 1 9 . 1 1 68 68 LYS CB C 68 34.900 34.900 33.663 1.236 17818 4483 1 9 . 1 1 68 68 LYS H H 68 7.440 7.440 7.824 -0.384 17818 4484 1 9 . 1 1 69 69 PRO HA H 69 4.060 4.060 5.247 -1.187 17818 4485 1 9 . 1 1 69 69 PRO CA C 69 62.700 62.700 61.806 0.894 17818 4486 1 9 . 1 1 69 69 PRO CB C 69 32.300 32.300 32.686 -0.386 17818 4487 1 9 . 1 1 70 70 PHE N N 70 123.200 123.200 121.893 1.307 17818 4488 1 9 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.976 0.064 17818 4489 1 9 . 1 1 70 70 PHE CA C 70 57.100 57.100 56.448 0.652 17818 4490 1 9 . 1 1 70 70 PHE CB C 70 42.900 42.900 43.242 -0.342 17818 4491 1 9 . 1 1 70 70 PHE H H 70 9.180 9.180 9.206 -0.026 17818 4492 1 9 . 1 1 71 71 GLN N N 71 126.000 126.000 125.014 0.986 17818 4493 1 9 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.303 0.447 17818 4494 1 9 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.014 -0.714 17818 4495 1 9 . 1 1 71 71 GLN CB C 71 32.900 32.900 30.979 1.921 17818 4496 1 9 . 1 1 71 71 GLN H H 71 8.020 8.020 7.987 0.033 17818 4497 1 9 . 1 1 72 72 PHE N N 72 116.800 116.800 120.177 -3.377 17818 4498 1 9 . 1 1 72 72 PHE HA H 72 4.700 4.700 4.834 -0.134 17818 4499 1 9 . 1 1 72 72 PHE CA C 72 55.500 55.500 55.908 -0.408 17818 4500 1 9 . 1 1 72 72 PHE CB C 72 40.900 40.900 41.542 -0.642 17818 4501 1 9 . 1 1 72 72 PHE H H 72 8.110 8.110 8.551 -0.441 17818 4502 1 9 . 1 1 73 73 THR N N 73 118.800 118.800 118.434 0.366 17818 4503 1 9 . 1 1 73 73 THR HA H 73 3.960 3.960 4.477 -0.517 17818 4504 1 9 . 1 1 73 73 THR CA C 73 62.600 62.600 62.953 -0.353 17818 4505 1 9 . 1 1 73 73 THR CB C 73 67.500 67.500 68.214 -0.714 17818 4506 1 9 . 1 1 73 73 THR H H 73 9.080 9.080 8.646 0.434 17818 4507 1 9 . 1 1 74 74 LEU N N 74 132.500 132.500 129.526 2.974 17818 4508 1 9 . 1 1 74 74 LEU HA H 74 4.140 4.140 4.203 -0.063 17818 4509 1 9 . 1 1 74 74 LEU CA C 74 56.800 56.800 56.148 0.652 17818 4510 1 9 . 1 1 74 74 LEU CB C 74 41.800 41.800 42.438 -0.638 17818 4511 1 9 . 1 1 74 74 LEU H H 74 8.220 8.220 8.598 -0.378 17818 4512 1 9 . 1 1 75 75 GLY N N 75 118.100 118.100 114.736 3.364 17818 4513 1 9 . 1 1 75 75 GLY CA C 75 46.200 46.200 44.745 1.455 17818 4514 1 9 . 1 1 75 75 GLY H H 75 9.850 9.850 8.618 1.232 17818 4515 1 9 . 1 1 76 76 ALA N N 76 120.600 120.600 124.467 -3.867 17818 4516 1 9 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.546 -0.046 17818 4517 1 9 . 1 1 76 76 ALA CA C 76 51.900 51.900 51.454 0.446 17818 4518 1 9 . 1 1 76 76 ALA CB C 76 20.200 20.200 20.184 0.016 17818 4519 1 9 . 1 1 76 76 ALA H H 76 7.550 7.550 7.756 -0.206 17818 4520 1 9 . 1 1 77 77 GLY N N 77 110.500 110.500 105.457 5.043 17818 4521 1 9 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.613 0.787 17818 4522 1 9 . 1 1 77 77 GLY H H 77 8.790 8.790 8.673 0.117 17818 4523 1 9 . 1 1 78 78 GLU N N 78 119.400 119.400 120.562 -1.162 17818 4524 1 9 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.308 -0.158 17818 4525 1 9 . 1 1 78 78 GLU CA C 78 57.200 57.200 56.956 0.244 17818 4526 1 9 . 1 1 78 78 GLU CB C 78 30.900 30.900 30.279 0.621 17818 4527 1 9 . 1 1 78 78 GLU H H 78 9.240 9.240 8.171 1.069 17818 4528 1 9 . 1 1 79 79 VAL N N 79 108.600 108.600 114.370 -5.770 17818 4529 1 9 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.403 -0.183 17818 4530 1 9 . 1 1 79 79 VAL CA C 79 57.300 57.300 60.027 -2.727 17818 4531 1 9 . 1 1 79 79 VAL CB C 79 35.400 35.400 34.346 1.054 17818 4532 1 9 . 1 1 79 79 VAL H H 79 6.760 6.760 7.259 -0.499 17818 4533 1 9 . 1 1 80 80 ILE N N 80 111.800 111.800 116.597 -4.797 17818 4534 1 9 . 1 1 80 80 ILE HA H 80 3.800 3.800 4.538 -0.738 17818 4535 1 9 . 1 1 80 80 ILE CA C 80 61.800 61.800 59.947 1.853 17818 4536 1 9 . 1 1 80 80 ILE CB C 80 38.000 38.000 39.403 -1.403 17818 4537 1 9 . 1 1 80 80 ILE H H 80 7.300 7.300 8.277 -0.977 17818 4538 1 9 . 1 1 81 81 LYS N N 81 124.700 124.700 121.684 3.016 17818 4539 1 9 . 1 1 81 81 LYS HA H 81 4.160 4.160 3.975 0.185 17818 4540 1 9 . 1 1 81 81 LYS CA C 81 59.700 59.700 59.041 0.659 17818 4541 1 9 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.609 1.191 17818 4542 1 9 . 1 1 81 81 LYS H H 81 8.880 8.880 8.810 0.070 17818 4543 1 9 . 1 1 82 82 GLY N N 82 101.700 101.700 108.098 -6.398 17818 4544 1 9 . 1 1 82 82 GLY CA C 82 47.300 47.300 46.678 0.622 17818 4545 1 9 . 1 1 82 82 GLY H H 82 9.580 9.580 8.323 1.257 17818 4546 1 9 . 1 1 83 83 TRP N N 83 119.300 119.300 121.921 -2.621 17818 4547 1 9 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.299 -0.289 17818 4548 1 9 . 1 1 83 83 TRP CA C 83 59.300 59.300 58.229 1.071 17818 4549 1 9 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.863 0.237 17818 4550 1 9 . 1 1 83 83 TRP H H 83 7.450 7.450 7.264 0.186 17818 4551 1 9 . 1 1 84 84 ASP N N 84 120.900 120.900 120.099 0.801 17818 4552 1 9 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.370 -0.370 17818 4553 1 9 . 1 1 84 84 ASP CA C 84 58.200 58.200 58.178 0.022 17818 4554 1 9 . 1 1 84 84 ASP CB C 84 41.000 41.000 40.969 0.031 17818 4555 1 9 . 1 1 84 84 ASP H H 84 7.120 7.120 8.492 -1.372 17818 4556 1 9 . 1 1 85 85 GLN N N 85 114.500 114.500 118.773 -4.273 17818 4557 1 9 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.019 -0.019 17818 4558 1 9 . 1 1 85 85 GLN CA C 85 58.200 58.200 58.378 -0.178 17818 4559 1 9 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.827 0.073 17818 4560 1 9 . 1 1 85 85 GLN H H 85 8.360 8.360 7.986 0.374 17818 4561 1 9 . 1 1 86 86 GLY N N 86 106.300 106.300 108.049 -1.749 17818 4562 1 9 . 1 1 86 86 GLY CA C 86 47.700 47.700 46.647 1.053 17818 4563 1 9 . 1 1 86 86 GLY H H 86 7.960 7.960 7.779 0.181 17818 4564 1 9 . 1 1 87 87 VAL N N 87 125.300 125.300 120.307 4.993 17818 4565 1 9 . 1 1 87 87 VAL HA H 87 3.630 3.630 3.983 -0.353 17818 4566 1 9 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.360 2.040 17818 4567 1 9 . 1 1 87 87 VAL CB C 87 30.300 30.300 32.291 -1.991 17818 4568 1 9 . 1 1 87 87 VAL H H 87 9.090 9.090 7.918 1.172 17818 4569 1 9 . 1 1 88 88 ALA N N 88 116.500 116.500 122.252 -5.752 17818 4570 1 9 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.234 -0.244 17818 4571 1 9 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.500 -0.200 17818 4572 1 9 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.642 -0.042 17818 4573 1 9 . 1 1 88 88 ALA H H 88 6.750 6.750 7.834 -1.084 17818 4574 1 9 . 1 1 89 89 THR N N 89 105.500 105.500 112.112 -6.612 17818 4575 1 9 . 1 1 89 89 THR HA H 89 4.520 4.520 4.384 0.136 17818 4576 1 9 . 1 1 89 89 THR CA C 89 62.300 62.300 63.050 -0.750 17818 4577 1 9 . 1 1 89 89 THR CB C 89 71.100 71.100 69.370 1.730 17818 4578 1 9 . 1 1 89 89 THR H H 89 7.400 7.400 8.103 -0.703 17818 4579 1 9 . 1 1 90 90 MET N N 90 122.400 122.400 116.609 5.791 17818 4580 1 9 . 1 1 90 90 MET CA C 90 56.200 56.200 54.233 1.967 17818 4581 1 9 . 1 1 90 90 MET CB C 90 36.800 36.800 35.881 0.919 17818 4582 1 9 . 1 1 90 90 MET H H 90 7.550 7.550 7.340 0.210 17818 4583 1 9 . 1 1 91 91 THR N N 91 105.200 105.200 108.597 -3.397 17818 4584 1 9 . 1 1 91 91 THR HA H 91 5.120 5.120 4.878 0.242 17818 4585 1 9 . 1 1 91 91 THR CA C 91 59.800 59.800 59.135 0.665 17818 4586 1 9 . 1 1 91 91 THR CB C 91 71.900 71.900 72.367 -0.467 17818 4587 1 9 . 1 1 91 91 THR H H 91 7.350 7.350 7.699 -0.349 17818 4588 1 9 . 1 1 92 92 LEU N N 92 121.200 121.200 121.614 -0.414 17818 4589 1 9 . 1 1 92 92 LEU HA H 92 3.600 3.600 3.876 -0.276 17818 4590 1 9 . 1 1 92 92 LEU CA C 92 58.100 58.100 56.172 1.929 17818 4591 1 9 . 1 1 92 92 LEU CB C 92 43.400 43.400 42.656 0.744 17818 4592 1 9 . 1 1 92 92 LEU H H 92 8.180 8.180 8.210 -0.030 17818 4593 1 9 . 1 1 93 93 GLY N N 93 115.800 115.800 112.548 3.252 17818 4594 1 9 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.096 -0.396 17818 4595 1 9 . 1 1 93 93 GLY H H 93 8.490 8.490 8.918 -0.428 17818 4596 1 9 . 1 1 94 94 GLU N N 94 123.700 123.700 120.935 2.765 17818 4597 1 9 . 1 1 94 94 GLU HA H 94 4.290 4.290 4.884 -0.594 17818 4598 1 9 . 1 1 94 94 GLU CA C 94 56.100 56.100 54.856 1.244 17818 4599 1 9 . 1 1 94 94 GLU CB C 94 33.500 33.500 32.261 1.239 17818 4600 1 9 . 1 1 94 94 GLU H H 94 8.650 8.650 7.668 0.982 17818 4601 1 9 . 1 1 95 95 LYS N N 95 124.200 124.200 128.204 -4.004 17818 4602 1 9 . 1 1 95 95 LYS HA H 95 5.560 5.560 4.950 0.610 17818 4603 1 9 . 1 1 95 95 LYS CA C 95 54.600 54.600 55.212 -0.612 17818 4604 1 9 . 1 1 95 95 LYS CB C 95 35.300 35.300 34.727 0.573 17818 4605 1 9 . 1 1 95 95 LYS H H 95 8.950 8.950 8.830 0.120 17818 4606 1 9 . 1 1 96 96 ALA N N 96 129.100 129.100 129.604 -0.504 17818 4607 1 9 . 1 1 96 96 ALA HA H 96 4.990 4.990 5.045 -0.055 17818 4608 1 9 . 1 1 96 96 ALA CA C 96 50.500 50.500 50.231 0.269 17818 4609 1 9 . 1 1 96 96 ALA CB C 96 23.900 23.900 23.197 0.703 17818 4610 1 9 . 1 1 96 96 ALA H H 96 9.530 9.530 9.425 0.105 17818 4611 1 9 . 1 1 97 97 LEU N N 97 122.200 122.200 124.228 -2.028 17818 4612 1 9 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.787 0.393 17818 4613 1 9 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.066 -1.066 17818 4614 1 9 . 1 1 97 97 LEU CB C 97 45.800 45.800 43.010 2.790 17818 4615 1 9 . 1 1 97 97 LEU H H 97 9.100 9.100 8.768 0.332 17818 4616 1 9 . 1 1 98 98 PHE N N 98 125.800 125.800 129.855 -4.055 17818 4617 1 9 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.484 0.216 17818 4618 1 9 . 1 1 98 98 PHE CA C 98 56.500 56.500 56.014 0.486 17818 4619 1 9 . 1 1 98 98 PHE CB C 98 42.300 42.300 43.262 -0.962 17818 4620 1 9 . 1 1 98 98 PHE H H 98 9.940 9.940 9.447 0.493 17818 4621 1 9 . 1 1 99 99 THR N N 99 121.600 121.600 123.974 -2.374 17818 4622 1 9 . 1 1 99 99 THR CA C 99 63.500 63.500 62.615 0.885 17818 4623 1 9 . 1 1 99 99 THR CB C 99 68.600 68.600 68.739 -0.139 17818 4624 1 9 . 1 1 99 99 THR H H 99 9.100 9.100 8.642 0.458 17818 4625 1 9 . 1 1 100 100 ILE N N 100 127.400 127.400 129.123 -1.723 17818 4626 1 9 . 1 1 100 100 ILE CA C 100 58.700 58.700 56.774 1.926 17818 4627 1 9 . 1 1 100 100 ILE CB C 100 39.400 39.400 38.872 0.528 17818 4628 1 9 . 1 1 100 100 ILE H H 100 9.880 9.880 8.966 0.914 17818 4629 1 9 . 1 1 101 101 PRO CA C 101 62.200 62.200 62.728 -0.528 17818 4630 1 9 . 1 1 101 101 PRO CB C 101 32.500 32.500 31.884 0.616 17818 4631 1 9 . 1 1 102 102 TYR N N 102 118.100 118.100 120.490 -2.390 17818 4632 1 9 . 1 1 102 102 TYR HA H 102 4.470 4.470 4.095 0.375 17818 4633 1 9 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.686 0.414 17818 4634 1 9 . 1 1 102 102 TYR CB C 102 37.000 37.000 37.248 -0.248 17818 4635 1 9 . 1 1 102 102 TYR H H 102 8.450 8.450 8.714 -0.264 17818 4636 1 9 . 1 1 103 103 GLN N N 103 123.800 123.800 115.400 8.400 17818 4637 1 9 . 1 1 103 103 GLN HA H 103 4.050 4.050 3.955 0.095 17818 4638 1 9 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.031 2.469 17818 4639 1 9 . 1 1 103 103 GLN CB C 103 27.300 27.300 28.041 -0.741 17818 4640 1 9 . 1 1 103 103 GLN H H 103 9.080 9.080 7.510 1.570 17818 4641 1 9 . 1 1 104 104 LEU N N 104 116.800 116.800 118.022 -1.222 17818 4642 1 9 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.492 0.028 17818 4643 1 9 . 1 1 104 104 LEU CA C 104 53.100 53.100 53.850 -0.750 17818 4644 1 9 . 1 1 104 104 LEU CB C 104 43.400 43.400 41.732 1.668 17818 4645 1 9 . 1 1 104 104 LEU H H 104 7.790 7.790 7.640 0.150 17818 4646 1 9 . 1 1 105 105 ALA N N 105 125.400 125.400 121.150 4.250 17818 4647 1 9 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.358 0.112 17818 4648 1 9 . 1 1 105 105 ALA CA C 105 51.000 51.000 52.169 -1.169 17818 4649 1 9 . 1 1 105 105 ALA CB C 105 18.900 18.900 19.957 -1.057 17818 4650 1 9 . 1 1 105 105 ALA H H 105 7.780 7.780 7.269 0.511 17818 4651 1 9 . 1 1 106 106 TYR N N 106 122.000 122.000 117.863 4.137 17818 4652 1 9 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.611 -0.001 17818 4653 1 9 . 1 1 106 106 TYR CA C 106 59.300 59.300 57.824 1.476 17818 4654 1 9 . 1 1 106 106 TYR CB C 106 37.400 37.400 37.957 -0.557 17818 4655 1 9 . 1 1 106 106 TYR H H 106 9.430 9.430 9.092 0.338 17818 4656 1 9 . 1 1 107 107 GLY N N 107 105.500 105.500 109.512 -4.012 17818 4657 1 9 . 1 1 107 107 GLY CA C 107 46.500 46.500 46.441 0.059 17818 4658 1 9 . 1 1 107 107 GLY H H 107 8.490 8.490 8.386 0.104 17818 4659 1 9 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.210 -0.700 17818 4660 1 9 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.676 -0.176 17818 4661 1 9 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.649 -0.049 17818 4662 1 9 . 1 1 109 109 ARG N N 109 115.900 115.900 118.331 -2.431 17818 4663 1 9 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.109 0.071 17818 4664 1 9 . 1 1 109 109 ARG CA C 109 57.400 57.400 56.707 0.693 17818 4665 1 9 . 1 1 109 109 ARG CB C 109 30.700 30.700 30.779 -0.079 17818 4666 1 9 . 1 1 109 109 ARG H H 109 8.840 8.840 7.666 1.174 17818 4667 1 9 . 1 1 110 110 GLY N N 110 130.700 130.700 108.170 22.530 17818 4668 1 9 . 1 1 110 110 GLY CA C 110 44.800 44.800 45.165 -0.365 17818 4669 1 9 . 1 1 110 110 GLY H H 110 7.140 7.140 8.303 -1.163 17818 4670 1 9 . 1 1 111 111 TYR N N 111 119.700 119.700 122.354 -2.654 17818 4671 1 9 . 1 1 111 111 TYR CA C 111 54.500 54.500 59.619 -5.119 17818 4672 1 9 . 1 1 111 111 TYR CB C 111 38.600 38.600 36.995 1.605 17818 4673 1 9 . 1 1 111 111 TYR H H 111 8.570 8.570 8.877 -0.307 17818 4674 1 9 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.470 -0.670 17818 4675 1 9 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.994 2.306 17818 4676 1 9 . 1 1 114 114 VAL N N 114 122.900 122.900 111.962 10.938 17818 4677 1 9 . 1 1 114 114 VAL HA H 114 3.850 3.850 4.143 -0.293 17818 4678 1 9 . 1 1 114 114 VAL CA C 114 65.600 65.600 62.781 2.819 17818 4679 1 9 . 1 1 114 114 VAL CB C 114 33.000 33.000 31.828 1.171 17818 4680 1 9 . 1 1 114 114 VAL H H 114 7.870 7.870 7.593 0.277 17818 4681 1 9 . 1 1 115 115 ILE N N 115 118.100 118.100 122.104 -4.004 17818 4682 1 9 . 1 1 115 115 ILE CA C 115 56.300 56.300 56.862 -0.562 17818 4683 1 9 . 1 1 115 115 ILE CB C 115 37.700 37.700 38.531 -0.831 17818 4684 1 9 . 1 1 115 115 ILE H H 115 7.550 7.550 7.834 -0.284 17818 4685 1 9 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.391 -0.771 17818 4686 1 9 . 1 1 117 117 PRO CA C 117 63.400 63.400 62.731 0.669 17818 4687 1 9 . 1 1 117 117 PRO CB C 117 32.800 32.800 32.441 0.358 17818 4688 1 9 . 1 1 118 118 LYS N N 118 115.100 115.100 116.638 -1.538 17818 4689 1 9 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.691 -1.111 17818 4690 1 9 . 1 1 118 118 LYS CA C 118 57.900 57.900 57.309 0.591 17818 4691 1 9 . 1 1 118 118 LYS CB C 118 29.700 29.700 29.910 -0.210 17818 4692 1 9 . 1 1 118 118 LYS H H 118 7.330 7.330 8.261 -0.931 17818 4693 1 9 . 1 1 119 119 ALA N N 119 121.900 121.900 119.470 2.430 17818 4694 1 9 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.682 -0.232 17818 4695 1 9 . 1 1 119 119 ALA CA C 119 52.700 52.700 50.442 2.258 17818 4696 1 9 . 1 1 119 119 ALA CB C 119 20.100 20.100 21.844 -1.744 17818 4697 1 9 . 1 1 119 119 ALA H H 119 7.900 7.900 7.786 0.114 17818 4698 1 9 . 1 1 120 120 THR N N 120 121.800 121.800 117.858 3.942 17818 4699 1 9 . 1 1 120 120 THR CA C 120 63.100 63.100 63.903 -0.803 17818 4700 1 9 . 1 1 120 120 THR CB C 120 69.800 69.800 69.532 0.268 17818 4701 1 9 . 1 1 120 120 THR H H 120 8.170 8.170 8.145 0.025 17818 4702 1 9 . 1 1 121 121 LEU N N 121 124.200 124.200 127.856 -3.656 17818 4703 1 9 . 1 1 121 121 LEU CA C 121 53.100 53.100 52.939 0.161 17818 4704 1 9 . 1 1 121 121 LEU CB C 121 46.300 46.300 45.600 0.700 17818 4705 1 9 . 1 1 121 121 LEU H H 121 8.640 8.640 8.966 -0.326 17818 4706 1 9 . 1 1 122 122 VAL N N 122 122.200 122.200 123.511 -1.311 17818 4707 1 9 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.660 0.630 17818 4708 1 9 . 1 1 122 122 VAL CA C 122 60.700 60.700 61.358 -0.658 17818 4709 1 9 . 1 1 122 122 VAL CB C 122 33.300 33.300 33.721 -0.421 17818 4710 1 9 . 1 1 122 122 VAL H H 122 8.860 8.860 8.637 0.223 17818 4711 1 9 . 1 1 123 123 PHE N N 123 122.900 122.900 124.658 -1.758 17818 4712 1 9 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.458 -0.058 17818 4713 1 9 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.072 -0.672 17818 4714 1 9 . 1 1 123 123 PHE CB C 123 44.000 44.000 42.840 1.160 17818 4715 1 9 . 1 1 123 123 PHE H H 123 9.620 9.620 9.395 0.225 17818 4716 1 9 . 1 1 124 124 GLU N N 124 125.500 125.500 125.764 -0.264 17818 4717 1 9 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.621 1.279 17818 4718 1 9 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.452 -0.852 17818 4719 1 9 . 1 1 124 124 GLU CB C 124 31.800 31.800 30.298 1.502 17818 4720 1 9 . 1 1 124 124 GLU H H 124 9.180 9.180 8.973 0.207 17818 4721 1 9 . 1 1 125 125 VAL N N 125 128.100 128.100 122.308 5.792 17818 4722 1 9 . 1 1 125 125 VAL CA C 125 61.300 61.300 59.603 1.697 17818 4723 1 9 . 1 1 125 125 VAL CB C 125 35.800 35.800 34.890 0.910 17818 4724 1 9 . 1 1 125 125 VAL H H 125 9.600 9.600 9.036 0.564 17818 4725 1 9 . 1 1 126 126 GLU N N 126 128.500 128.500 126.292 2.208 17818 4726 1 9 . 1 1 126 126 GLU HA H 126 5.630 5.630 5.343 0.287 17818 4727 1 9 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.466 -0.966 17818 4728 1 9 . 1 1 126 126 GLU CB C 126 34.000 34.000 34.477 -0.477 17818 4729 1 9 . 1 1 126 126 GLU H H 126 9.420 9.420 9.053 0.367 17818 4730 1 9 . 1 1 127 127 LEU N N 127 127.900 127.900 129.115 -1.215 17818 4731 1 9 . 1 1 127 127 LEU CA C 127 55.100 55.100 54.871 0.229 17818 4732 1 9 . 1 1 127 127 LEU CB C 127 41.400 41.400 41.240 0.160 17818 4733 1 9 . 1 1 127 127 LEU H H 127 8.720 8.720 8.994 -0.274 17818 4734 1 9 . 1 1 128 128 LEU N N 128 128.700 128.700 129.199 -0.499 17818 4735 1 9 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.392 0.008 17818 4736 1 9 . 1 1 128 128 LEU CA C 128 55.900 55.900 56.238 -0.338 17818 4737 1 9 . 1 1 128 128 LEU CB C 128 43.700 43.700 42.638 1.062 17818 4738 1 9 . 1 1 128 128 LEU H H 128 8.690 8.690 8.802 -0.112 17818 4739 1 9 . 1 1 129 129 ALA N N 129 118.600 118.600 116.093 2.507 17818 4740 1 9 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.496 -0.036 17818 4741 1 9 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.926 0.874 17818 4742 1 9 . 1 1 129 129 ALA CB C 129 21.100 21.100 21.717 -0.617 17818 4743 1 9 . 1 1 129 129 ALA H H 129 7.810 7.810 8.099 -0.289 17818 4744 1 10 . 1 1 8 8 HIS CA C 8 54.700 54.700 55.839 -1.139 17818 4745 1 10 . 1 1 8 8 HIS CB C 8 31.200 31.200 30.280 0.920 17818 4746 1 10 . 1 1 9 9 MET N N 9 120.000 120.000 120.398 -0.398 17818 4747 1 10 . 1 1 9 9 MET HA H 9 4.280 4.280 4.754 -0.474 17818 4748 1 10 . 1 1 9 9 MET CA C 9 55.500 55.500 55.837 -0.337 17818 4749 1 10 . 1 1 9 9 MET CB C 9 32.500 32.500 34.121 -1.621 17818 4750 1 10 . 1 1 9 9 MET H H 9 8.110 8.110 8.451 -0.341 17818 4751 1 10 . 1 1 10 10 GLY N N 10 109.800 109.800 113.231 -3.431 17818 4752 1 10 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.858 0.442 17818 4753 1 10 . 1 1 10 10 GLY H H 10 8.440 8.440 8.578 -0.138 17818 4754 1 10 . 1 1 11 11 THR N N 11 113.600 113.600 120.731 -7.131 17818 4755 1 10 . 1 1 11 11 THR HA H 11 4.330 4.330 4.356 -0.026 17818 4756 1 10 . 1 1 11 11 THR CA C 11 62.000 62.000 62.353 -0.353 17818 4757 1 10 . 1 1 11 11 THR CB C 11 69.900 69.900 69.169 0.731 17818 4758 1 10 . 1 1 11 11 THR H H 11 8.070 8.070 8.282 -0.212 17818 4759 1 10 . 1 1 12 12 LEU N N 12 124.200 124.200 128.787 -4.587 17818 4760 1 10 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.450 -0.130 17818 4761 1 10 . 1 1 12 12 LEU CA C 12 55.500 55.500 54.637 0.863 17818 4762 1 10 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.737 -0.637 17818 4763 1 10 . 1 1 12 12 LEU H H 12 8.380 8.380 8.531 -0.151 17818 4764 1 10 . 1 1 13 13 GLU N N 13 121.600 121.600 126.410 -4.810 17818 4765 1 10 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.420 -0.220 17818 4766 1 10 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.820 1.080 17818 4767 1 10 . 1 1 13 13 GLU CB C 13 30.000 30.000 30.343 -0.343 17818 4768 1 10 . 1 1 13 13 GLU H H 13 8.430 8.430 8.543 -0.113 17818 4769 1 10 . 1 1 14 14 ALA N N 14 124.400 124.400 126.994 -2.594 17818 4770 1 10 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.571 -0.301 17818 4771 1 10 . 1 1 14 14 ALA CA C 14 52.700 52.700 51.503 1.197 17818 4772 1 10 . 1 1 14 14 ALA CB C 14 19.100 19.100 19.437 -0.337 17818 4773 1 10 . 1 1 14 14 ALA H H 14 8.290 8.290 8.362 -0.072 17818 4774 1 10 . 1 1 15 15 GLN N N 15 119.100 119.100 122.876 -3.776 17818 4775 1 10 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.466 -0.076 17818 4776 1 10 . 1 1 15 15 GLN CA C 15 56.000 56.000 55.200 0.800 17818 4777 1 10 . 1 1 15 15 GLN CB C 15 29.400 29.400 29.634 -0.234 17818 4778 1 10 . 1 1 15 15 GLN H H 15 8.370 8.370 8.571 -0.201 17818 4779 1 10 . 1 1 16 16 THR N N 16 114.900 114.900 113.123 1.777 17818 4780 1 10 . 1 1 16 16 THR CA C 16 62.100 62.100 61.900 0.200 17818 4781 1 10 . 1 1 16 16 THR CB C 16 69.800 69.800 69.480 0.320 17818 4782 1 10 . 1 1 16 16 THR H H 16 8.200 8.200 8.183 0.017 17818 4783 1 10 . 1 1 17 17 GLN N N 17 122.200 122.200 122.309 -0.109 17818 4784 1 10 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.603 -0.173 17818 4785 1 10 . 1 1 17 17 GLN CA C 17 55.600 55.600 55.486 0.114 17818 4786 1 10 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.688 0.012 17818 4787 1 10 . 1 1 17 17 GLN H H 17 8.420 8.420 8.484 -0.064 17818 4788 1 10 . 1 1 18 18 GLY N N 18 110.100 110.100 107.560 2.540 17818 4789 1 10 . 1 1 18 18 GLY CA C 18 44.600 44.600 45.059 -0.459 17818 4790 1 10 . 1 1 18 18 GLY H H 18 8.360 8.360 8.148 0.212 17818 4791 1 10 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.352 0.088 17818 4792 1 10 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.596 0.004 17818 4793 1 10 . 1 1 19 19 PRO CB C 19 32.000 32.000 32.276 -0.276 17818 4794 1 10 . 1 1 20 20 GLY N N 20 109.400 109.400 108.544 0.856 17818 4795 1 10 . 1 1 20 20 GLY CA C 20 45.300 45.300 45.256 0.044 17818 4796 1 10 . 1 1 20 20 GLY H H 20 8.630 8.630 8.223 0.407 17818 4797 1 10 . 1 1 21 21 SER N N 21 115.400 115.400 118.711 -3.311 17818 4798 1 10 . 1 1 21 21 SER CA C 21 63.800 63.800 56.941 6.859 17818 4799 1 10 . 1 1 21 21 SER CB C 21 69.800 69.800 64.058 5.742 17818 4800 1 10 . 1 1 21 21 SER H H 21 4.180 4.180 8.147 -3.967 17818 4801 1 10 . 1 1 22 22 MET N N 22 121.900 121.900 119.865 2.035 17818 4802 1 10 . 1 1 22 22 MET CA C 22 55.500 55.500 55.680 -0.180 17818 4803 1 10 . 1 1 22 22 MET CB C 22 32.800 32.800 32.473 0.327 17818 4804 1 10 . 1 1 22 22 MET H H 22 8.440 8.440 8.439 0.001 17818 4805 1 10 . 1 1 23 23 SER N N 23 116.600 116.600 117.717 -1.117 17818 4806 1 10 . 1 1 23 23 SER HA H 23 4.400 4.400 4.453 -0.053 17818 4807 1 10 . 1 1 23 23 SER CA C 23 58.300 58.300 58.164 0.136 17818 4808 1 10 . 1 1 23 23 SER CB C 23 63.700 63.700 63.794 -0.094 17818 4809 1 10 . 1 1 23 23 SER H H 23 8.290 8.290 7.690 0.600 17818 4810 1 10 . 1 1 24 24 ALA N N 24 125.700 125.700 124.121 1.579 17818 4811 1 10 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.433 -0.143 17818 4812 1 10 . 1 1 24 24 ALA CA C 24 52.100 52.100 51.755 0.345 17818 4813 1 10 . 1 1 24 24 ALA CB C 24 19.300 19.300 18.251 1.049 17818 4814 1 10 . 1 1 24 24 ALA H H 24 8.200 8.200 8.821 -0.621 17818 4815 1 10 . 1 1 25 25 GLN N N 25 118.300 118.300 123.215 -4.915 17818 4816 1 10 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.332 0.178 17818 4817 1 10 . 1 1 25 25 GLN CA C 25 54.200 54.200 54.894 -0.694 17818 4818 1 10 . 1 1 25 25 GLN CB C 25 31.300 31.300 30.121 1.179 17818 4819 1 10 . 1 1 25 25 GLN H H 25 8.280 8.280 7.991 0.289 17818 4820 1 10 . 1 1 26 26 LEU N N 26 122.100 122.100 126.905 -4.805 17818 4821 1 10 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.468 -0.008 17818 4822 1 10 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.166 1.134 17818 4823 1 10 . 1 1 26 26 LEU CB C 26 43.500 43.500 43.483 0.017 17818 4824 1 10 . 1 1 26 26 LEU H H 26 8.480 8.480 8.464 0.016 17818 4825 1 10 . 1 1 27 27 GLU N N 27 125.300 125.300 127.152 -1.852 17818 4826 1 10 . 1 1 27 27 GLU CA C 27 55.300 55.300 55.174 0.126 17818 4827 1 10 . 1 1 27 27 GLU CB C 27 32.400 32.400 31.372 1.028 17818 4828 1 10 . 1 1 27 27 GLU H H 27 8.240 8.240 8.058 0.182 17818 4829 1 10 . 1 1 28 28 LYS N N 28 125.000 125.000 125.438 -0.438 17818 4830 1 10 . 1 1 28 28 LYS HA H 28 4.610 4.610 4.974 -0.364 17818 4831 1 10 . 1 1 28 28 LYS CA C 28 54.500 54.500 54.696 -0.196 17818 4832 1 10 . 1 1 28 28 LYS CB C 28 35.700 35.700 33.096 2.604 17818 4833 1 10 . 1 1 28 28 LYS H H 28 8.810 8.810 8.540 0.270 17818 4834 1 10 . 1 1 29 29 LYS N N 29 128.100 128.100 126.514 1.586 17818 4835 1 10 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.610 0.420 17818 4836 1 10 . 1 1 29 29 LYS CA C 29 55.000 55.000 54.890 0.110 17818 4837 1 10 . 1 1 29 29 LYS CB C 29 36.200 36.200 35.334 0.867 17818 4838 1 10 . 1 1 29 29 LYS H H 29 8.850 8.850 8.925 -0.075 17818 4839 1 10 . 1 1 30 30 VAL N N 30 127.200 127.200 128.152 -0.952 17818 4840 1 10 . 1 1 30 30 VAL HA H 30 3.660 3.660 3.939 -0.279 17818 4841 1 10 . 1 1 30 30 VAL CA C 30 64.800 64.800 63.567 1.233 17818 4842 1 10 . 1 1 30 30 VAL CB C 30 31.600 31.600 31.571 0.029 17818 4843 1 10 . 1 1 30 30 VAL H H 30 9.170 9.170 8.853 0.317 17818 4844 1 10 . 1 1 31 31 LEU N N 31 129.800 129.800 129.862 -0.062 17818 4845 1 10 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.417 0.023 17818 4846 1 10 . 1 1 31 31 LEU CA C 31 56.000 56.000 56.356 -0.356 17818 4847 1 10 . 1 1 31 31 LEU CB C 31 41.800 41.800 42.715 -0.915 17818 4848 1 10 . 1 1 31 31 LEU H H 31 9.020 9.020 8.644 0.376 17818 4849 1 10 . 1 1 32 32 THR N N 32 115.700 115.700 114.106 1.594 17818 4850 1 10 . 1 1 32 32 THR CA C 32 59.300 59.300 60.561 -1.261 17818 4851 1 10 . 1 1 32 32 THR CB C 32 72.500 72.500 71.145 1.355 17818 4852 1 10 . 1 1 32 32 THR H H 32 8.220 8.220 8.131 0.089 17818 4853 1 10 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.652 -0.362 17818 4854 1 10 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.380 0.620 17818 4855 1 10 . 1 1 33 33 PRO CB C 33 32.400 32.400 32.748 -0.348 17818 4856 1 10 . 1 1 34 34 GLY N N 34 109.400 109.400 110.505 -1.105 17818 4857 1 10 . 1 1 34 34 GLY CA C 34 44.200 44.200 44.372 -0.172 17818 4858 1 10 . 1 1 34 34 GLY H H 34 9.010 9.010 8.451 0.559 17818 4859 1 10 . 1 1 35 35 ASP N N 35 119.400 119.400 121.476 -2.076 17818 4860 1 10 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.533 -0.203 17818 4861 1 10 . 1 1 35 35 ASP CA C 35 54.700 54.700 55.851 -1.151 17818 4862 1 10 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.796 -2.396 17818 4863 1 10 . 1 1 35 35 ASP H H 35 8.370 8.370 8.150 0.220 17818 4864 1 10 . 1 1 36 36 GLY N N 36 107.900 107.900 106.965 0.935 17818 4865 1 10 . 1 1 36 36 GLY CA C 36 46.000 46.000 46.524 -0.524 17818 4866 1 10 . 1 1 36 36 GLY H H 36 8.750 8.750 8.370 0.380 17818 4867 1 10 . 1 1 37 37 VAL N N 37 116.200 116.200 115.239 0.961 17818 4868 1 10 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.153 0.347 17818 4869 1 10 . 1 1 37 37 VAL CA C 37 62.500 62.500 62.282 0.218 17818 4870 1 10 . 1 1 37 37 VAL CB C 37 35.900 35.900 32.198 3.702 17818 4871 1 10 . 1 1 37 37 VAL H H 37 8.590 8.590 7.568 1.022 17818 4872 1 10 . 1 1 38 38 THR N N 38 126.400 126.400 113.228 13.172 17818 4873 1 10 . 1 1 38 38 THR HA H 38 4.210 4.210 4.280 -0.070 17818 4874 1 10 . 1 1 38 38 THR CA C 38 63.300 63.300 61.521 1.779 17818 4875 1 10 . 1 1 38 38 THR CB C 38 65.800 65.800 68.080 -2.280 17818 4876 1 10 . 1 1 38 38 THR H H 38 10.650 10.650 7.744 2.906 17818 4877 1 10 . 1 1 39 39 LYS N N 39 127.000 127.000 126.999 0.001 17818 4878 1 10 . 1 1 39 39 LYS CA C 39 53.400 53.400 53.951 -0.551 17818 4879 1 10 . 1 1 39 39 LYS CB C 39 33.200 33.200 32.623 0.577 17818 4880 1 10 . 1 1 39 39 LYS H H 39 8.390 8.390 7.919 0.471 17818 4881 1 10 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.794 -0.594 17818 4882 1 10 . 1 1 40 40 PRO CB C 40 33.300 33.300 32.198 1.102 17818 4883 1 10 . 1 1 41 41 GLN N N 41 120.900 120.900 123.543 -2.643 17818 4884 1 10 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.402 0.058 17818 4885 1 10 . 1 1 41 41 GLN CA C 41 53.700 53.700 54.853 -1.153 17818 4886 1 10 . 1 1 41 41 GLN CB C 41 31.500 31.500 30.367 1.133 17818 4887 1 10 . 1 1 41 41 GLN H H 41 8.750 8.750 8.454 0.296 17818 4888 1 10 . 1 1 42 42 ALA N N 42 125.700 125.700 124.649 1.051 17818 4889 1 10 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.134 -0.354 17818 4890 1 10 . 1 1 42 42 ALA CA C 42 53.400 53.400 52.414 0.986 17818 4891 1 10 . 1 1 42 42 ALA CB C 42 17.800 17.800 18.877 -1.077 17818 4892 1 10 . 1 1 42 42 ALA H H 42 8.550 8.550 8.400 0.150 17818 4893 1 10 . 1 1 43 43 GLY N N 43 109.700 109.700 111.207 -1.507 17818 4894 1 10 . 1 1 43 43 GLY CA C 43 45.200 45.200 44.831 0.369 17818 4895 1 10 . 1 1 43 43 GLY H H 43 8.970 8.970 8.975 -0.005 17818 4896 1 10 . 1 1 44 44 LYS N N 44 120.300 120.300 122.723 -2.423 17818 4897 1 10 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.408 0.262 17818 4898 1 10 . 1 1 44 44 LYS CA C 44 53.800 53.800 54.576 -0.776 17818 4899 1 10 . 1 1 44 44 LYS CB C 44 34.100 34.100 33.453 0.647 17818 4900 1 10 . 1 1 44 44 LYS H H 44 7.920 7.920 7.400 0.520 17818 4901 1 10 . 1 1 45 45 LYS N N 45 120.800 120.800 126.300 -5.500 17818 4902 1 10 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.229 0.291 17818 4903 1 10 . 1 1 45 45 LYS CA C 45 56.300 56.300 56.115 0.185 17818 4904 1 10 . 1 1 45 45 LYS CB C 45 32.900 32.900 31.553 1.347 17818 4905 1 10 . 1 1 45 45 LYS H H 45 8.340 8.340 8.681 -0.341 17818 4906 1 10 . 1 1 46 46 VAL N N 46 117.600 117.600 122.420 -4.820 17818 4907 1 10 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.461 0.099 17818 4908 1 10 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.458 -0.558 17818 4909 1 10 . 1 1 46 46 VAL CB C 46 33.900 33.900 33.993 -0.093 17818 4910 1 10 . 1 1 46 46 VAL H H 46 8.560 8.560 8.597 -0.037 17818 4911 1 10 . 1 1 47 47 THR N N 47 115.600 115.600 121.076 -5.476 17818 4912 1 10 . 1 1 47 47 THR HA H 47 5.100 5.100 4.804 0.296 17818 4913 1 10 . 1 1 47 47 THR CA C 47 61.600 61.600 62.638 -1.038 17818 4914 1 10 . 1 1 47 47 THR CB C 47 69.800 69.800 68.237 1.563 17818 4915 1 10 . 1 1 47 47 THR H H 47 8.130 8.130 8.568 -0.438 17818 4916 1 10 . 1 1 48 48 VAL N N 48 118.100 118.100 121.344 -3.244 17818 4917 1 10 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.463 0.327 17818 4918 1 10 . 1 1 48 48 VAL CA C 48 58.000 58.000 58.592 -0.592 17818 4919 1 10 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.977 -0.477 17818 4920 1 10 . 1 1 48 48 VAL H H 48 9.740 9.740 9.207 0.533 17818 4921 1 10 . 1 1 49 49 HIS N N 49 119.000 119.000 118.557 0.443 17818 4922 1 10 . 1 1 49 49 HIS HA H 49 5.810 5.810 5.006 0.804 17818 4923 1 10 . 1 1 49 49 HIS CA C 49 54.600 54.600 55.688 -1.088 17818 4924 1 10 . 1 1 49 49 HIS CB C 49 35.600 35.600 34.159 1.441 17818 4925 1 10 . 1 1 49 49 HIS H H 49 8.630 8.630 8.851 -0.221 17818 4926 1 10 . 1 1 50 50 TYR N N 50 116.800 116.800 118.365 -1.565 17818 4927 1 10 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.787 0.443 17818 4928 1 10 . 1 1 50 50 TYR CA C 50 56.000 56.000 54.792 1.208 17818 4929 1 10 . 1 1 50 50 TYR CB C 50 43.500 43.500 41.215 2.284 17818 4930 1 10 . 1 1 50 50 TYR H H 50 9.870 9.870 7.298 2.572 17818 4931 1 10 . 1 1 51 51 ASP N N 51 120.400 120.400 120.099 0.301 17818 4932 1 10 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.952 -0.002 17818 4933 1 10 . 1 1 51 51 ASP CA C 51 54.400 54.400 53.471 0.929 17818 4934 1 10 . 1 1 51 51 ASP CB C 51 44.900 44.900 44.993 -0.093 17818 4935 1 10 . 1 1 51 51 ASP H H 51 8.840 8.840 8.572 0.268 17818 4936 1 10 . 1 1 52 52 GLY N N 52 112.500 112.500 110.826 1.674 17818 4937 1 10 . 1 1 52 52 GLY CA C 52 45.300 45.300 44.709 0.591 17818 4938 1 10 . 1 1 52 52 GLY H H 52 9.130 9.130 8.730 0.400 17818 4939 1 10 . 1 1 53 53 ARG N N 53 125.200 125.200 125.017 0.183 17818 4940 1 10 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.504 0.526 17818 4941 1 10 . 1 1 53 53 ARG CA C 53 53.900 53.900 54.171 -0.271 17818 4942 1 10 . 1 1 53 53 ARG CB C 53 34.800 34.800 33.330 1.470 17818 4943 1 10 . 1 1 53 53 ARG H H 53 9.370 9.370 8.387 0.983 17818 4944 1 10 . 1 1 54 54 PHE N N 54 119.400 119.400 125.137 -5.737 17818 4945 1 10 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.760 -0.520 17818 4946 1 10 . 1 1 54 54 PHE CA C 54 57.300 57.300 56.886 0.414 17818 4947 1 10 . 1 1 54 54 PHE CB C 54 37.700 37.700 38.376 -0.676 17818 4948 1 10 . 1 1 54 54 PHE H H 54 8.770 8.770 8.943 -0.173 17818 4949 1 10 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.202 0.078 17818 4950 1 10 . 1 1 55 55 PRO CA C 55 65.700 65.700 65.681 0.019 17818 4951 1 10 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.808 -0.008 17818 4952 1 10 . 1 1 56 56 ASP N N 56 113.600 113.600 115.280 -1.680 17818 4953 1 10 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.422 0.048 17818 4954 1 10 . 1 1 56 56 ASP CA C 56 53.900 53.900 55.282 -1.382 17818 4955 1 10 . 1 1 56 56 ASP CB C 56 39.800 39.800 40.776 -0.976 17818 4956 1 10 . 1 1 56 56 ASP H H 56 7.780 7.780 8.583 -0.803 17818 4957 1 10 . 1 1 57 57 GLY N N 57 108.700 108.700 106.937 1.763 17818 4958 1 10 . 1 1 57 57 GLY CA C 57 44.900 44.900 45.094 -0.194 17818 4959 1 10 . 1 1 57 57 GLY H H 57 8.440 8.440 8.314 0.126 17818 4960 1 10 . 1 1 58 58 LYS N N 58 122.800 122.800 120.549 2.251 17818 4961 1 10 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.713 -0.463 17818 4962 1 10 . 1 1 58 58 LYS CA C 58 57.500 57.500 54.478 3.022 17818 4963 1 10 . 1 1 58 58 LYS CB C 58 32.600 32.600 34.787 -2.187 17818 4964 1 10 . 1 1 58 58 LYS H H 58 8.230 8.230 7.966 0.264 17818 4965 1 10 . 1 1 59 59 GLN N N 59 125.800 125.800 119.565 6.235 17818 4966 1 10 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.774 -0.324 17818 4967 1 10 . 1 1 59 59 GLN CA C 59 56.300 56.300 54.873 1.427 17818 4968 1 10 . 1 1 59 59 GLN CB C 59 30.900 30.900 31.592 -0.692 17818 4969 1 10 . 1 1 59 59 GLN H H 59 8.810 8.810 8.247 0.563 17818 4970 1 10 . 1 1 60 60 PHE N N 60 121.200 121.200 117.441 3.759 17818 4971 1 10 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.565 0.535 17818 4972 1 10 . 1 1 60 60 PHE CA C 60 56.500 56.500 59.421 -2.921 17818 4973 1 10 . 1 1 60 60 PHE CB C 60 40.900 40.900 39.421 1.479 17818 4974 1 10 . 1 1 60 60 PHE H H 60 8.340 8.340 9.193 -0.853 17818 4975 1 10 . 1 1 61 61 ASP N N 61 119.100 119.100 117.223 1.877 17818 4976 1 10 . 1 1 61 61 ASP CA C 61 54.700 54.700 53.756 0.944 17818 4977 1 10 . 1 1 61 61 ASP CB C 61 44.200 44.200 42.669 1.531 17818 4978 1 10 . 1 1 61 61 ASP H H 61 7.030 7.030 6.675 0.355 17818 4979 1 10 . 1 1 62 62 SER N N 62 117.400 117.400 118.774 -1.374 17818 4980 1 10 . 1 1 62 62 SER CA C 62 57.000 57.000 58.011 -1.011 17818 4981 1 10 . 1 1 62 62 SER CB C 62 64.800 64.800 62.958 1.842 17818 4982 1 10 . 1 1 62 62 SER H H 62 8.100 8.100 8.382 -0.282 17818 4983 1 10 . 1 1 63 63 SER N N 63 123.600 123.600 125.504 -1.904 17818 4984 1 10 . 1 1 63 63 SER HA H 63 4.200 4.200 4.355 -0.155 17818 4985 1 10 . 1 1 63 63 SER CA C 63 61.300 61.300 60.583 0.717 17818 4986 1 10 . 1 1 63 63 SER CB C 63 61.300 61.300 63.643 -2.343 17818 4987 1 10 . 1 1 63 63 SER H H 63 8.070 8.070 8.771 -0.701 17818 4988 1 10 . 1 1 64 64 ARG N N 64 124.000 124.000 121.459 2.541 17818 4989 1 10 . 1 1 64 64 ARG HA H 64 3.620 3.620 3.231 0.389 17818 4990 1 10 . 1 1 64 64 ARG CA C 64 59.300 59.300 58.086 1.214 17818 4991 1 10 . 1 1 64 64 ARG CB C 64 28.800 28.800 28.364 0.436 17818 4992 1 10 . 1 1 64 64 ARG H H 64 8.810 8.810 8.318 0.492 17818 4993 1 10 . 1 1 65 65 SER N N 65 114.600 114.600 115.636 -1.036 17818 4994 1 10 . 1 1 65 65 SER HA H 65 4.190 4.190 4.263 -0.073 17818 4995 1 10 . 1 1 65 65 SER CA C 65 60.700 60.700 60.206 0.494 17818 4996 1 10 . 1 1 65 65 SER CB C 65 62.700 62.700 62.623 0.077 17818 4997 1 10 . 1 1 65 65 SER H H 65 7.800 7.800 7.922 -0.122 17818 4998 1 10 . 1 1 66 66 ARG N N 66 118.000 118.000 118.728 -0.728 17818 4999 1 10 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.321 0.099 17818 5000 1 10 . 1 1 66 66 ARG CA C 66 57.100 57.100 55.348 1.752 17818 5001 1 10 . 1 1 66 66 ARG CB C 66 31.500 31.500 30.378 1.122 17818 5002 1 10 . 1 1 66 66 ARG H H 66 7.110 7.110 7.367 -0.257 17818 5003 1 10 . 1 1 67 67 GLY N N 67 106.700 106.700 108.243 -1.543 17818 5004 1 10 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.583 0.217 17818 5005 1 10 . 1 1 67 67 GLY H H 67 7.800 7.800 7.862 -0.062 17818 5006 1 10 . 1 1 68 68 LYS N N 68 117.600 117.600 120.387 -2.787 17818 5007 1 10 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.886 0.124 17818 5008 1 10 . 1 1 68 68 LYS CA C 68 53.100 53.100 52.890 0.210 17818 5009 1 10 . 1 1 68 68 LYS CB C 68 34.900 34.900 34.009 0.891 17818 5010 1 10 . 1 1 68 68 LYS H H 68 7.440 7.440 8.018 -0.578 17818 5011 1 10 . 1 1 69 69 PRO HA H 69 4.060 4.060 5.349 -1.289 17818 5012 1 10 . 1 1 69 69 PRO CA C 69 62.700 62.700 61.718 0.982 17818 5013 1 10 . 1 1 69 69 PRO CB C 69 32.300 32.300 33.452 -1.152 17818 5014 1 10 . 1 1 70 70 PHE N N 70 123.200 123.200 119.112 4.088 17818 5015 1 10 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.975 0.065 17818 5016 1 10 . 1 1 70 70 PHE CA C 70 57.100 57.100 56.780 0.320 17818 5017 1 10 . 1 1 70 70 PHE CB C 70 42.900 42.900 43.084 -0.184 17818 5018 1 10 . 1 1 70 70 PHE H H 70 9.180 9.180 9.029 0.151 17818 5019 1 10 . 1 1 71 71 GLN N N 71 126.000 126.000 126.005 -0.005 17818 5020 1 10 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.268 0.482 17818 5021 1 10 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.174 -0.874 17818 5022 1 10 . 1 1 71 71 GLN CB C 71 32.900 32.900 30.815 2.085 17818 5023 1 10 . 1 1 71 71 GLN H H 71 8.020 8.020 7.779 0.241 17818 5024 1 10 . 1 1 72 72 PHE N N 72 116.800 116.800 120.170 -3.370 17818 5025 1 10 . 1 1 72 72 PHE HA H 72 4.700 4.700 4.987 -0.287 17818 5026 1 10 . 1 1 72 72 PHE CA C 72 55.500 55.500 56.403 -0.903 17818 5027 1 10 . 1 1 72 72 PHE CB C 72 40.900 40.900 41.807 -0.907 17818 5028 1 10 . 1 1 72 72 PHE H H 72 8.110 8.110 8.931 -0.821 17818 5029 1 10 . 1 1 73 73 THR N N 73 118.800 118.800 118.421 0.379 17818 5030 1 10 . 1 1 73 73 THR HA H 73 3.960 3.960 4.429 -0.469 17818 5031 1 10 . 1 1 73 73 THR CA C 73 62.600 62.600 62.347 0.253 17818 5032 1 10 . 1 1 73 73 THR CB C 73 67.500 67.500 69.030 -1.530 17818 5033 1 10 . 1 1 73 73 THR H H 73 9.080 9.080 8.466 0.614 17818 5034 1 10 . 1 1 74 74 LEU N N 74 132.500 132.500 128.610 3.890 17818 5035 1 10 . 1 1 74 74 LEU HA H 74 4.140 4.140 3.894 0.246 17818 5036 1 10 . 1 1 74 74 LEU CA C 74 56.800 56.800 55.545 1.255 17818 5037 1 10 . 1 1 74 74 LEU CB C 74 41.800 41.800 42.602 -0.802 17818 5038 1 10 . 1 1 74 74 LEU H H 74 8.220 8.220 8.202 0.018 17818 5039 1 10 . 1 1 75 75 GLY N N 75 118.100 118.100 115.001 3.099 17818 5040 1 10 . 1 1 75 75 GLY CA C 75 46.200 46.200 45.171 1.029 17818 5041 1 10 . 1 1 75 75 GLY H H 75 9.850 9.850 9.139 0.711 17818 5042 1 10 . 1 1 76 76 ALA N N 76 120.600 120.600 121.737 -1.137 17818 5043 1 10 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.684 -0.184 17818 5044 1 10 . 1 1 76 76 ALA CA C 76 51.900 51.900 51.371 0.529 17818 5045 1 10 . 1 1 76 76 ALA CB C 76 20.200 20.200 21.450 -1.250 17818 5046 1 10 . 1 1 76 76 ALA H H 76 7.550 7.550 7.541 0.009 17818 5047 1 10 . 1 1 77 77 GLY N N 77 110.500 110.500 106.558 3.942 17818 5048 1 10 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.650 0.750 17818 5049 1 10 . 1 1 77 77 GLY H H 77 8.790 8.790 8.636 0.154 17818 5050 1 10 . 1 1 78 78 GLU N N 78 119.400 119.400 120.501 -1.101 17818 5051 1 10 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.220 -0.070 17818 5052 1 10 . 1 1 78 78 GLU CA C 78 57.200 57.200 57.682 -0.482 17818 5053 1 10 . 1 1 78 78 GLU CB C 78 30.900 30.900 30.011 0.889 17818 5054 1 10 . 1 1 78 78 GLU H H 78 9.240 9.240 8.107 1.133 17818 5055 1 10 . 1 1 79 79 VAL N N 79 108.600 108.600 113.243 -4.643 17818 5056 1 10 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.360 -0.140 17818 5057 1 10 . 1 1 79 79 VAL CA C 79 57.300 57.300 59.865 -2.565 17818 5058 1 10 . 1 1 79 79 VAL CB C 79 35.400 35.400 34.154 1.246 17818 5059 1 10 . 1 1 79 79 VAL H H 79 6.760 6.760 7.399 -0.639 17818 5060 1 10 . 1 1 80 80 ILE N N 80 111.800 111.800 114.467 -2.667 17818 5061 1 10 . 1 1 80 80 ILE HA H 80 3.800 3.800 4.052 -0.252 17818 5062 1 10 . 1 1 80 80 ILE CA C 80 61.800 61.800 61.281 0.519 17818 5063 1 10 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.287 -0.287 17818 5064 1 10 . 1 1 80 80 ILE H H 80 7.300 7.300 7.629 -0.329 17818 5065 1 10 . 1 1 81 81 LYS N N 81 124.700 124.700 125.765 -1.065 17818 5066 1 10 . 1 1 81 81 LYS HA H 81 4.160 4.160 3.967 0.193 17818 5067 1 10 . 1 1 81 81 LYS CA C 81 59.700 59.700 58.765 0.935 17818 5068 1 10 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.488 1.312 17818 5069 1 10 . 1 1 81 81 LYS H H 81 8.880 8.880 8.688 0.192 17818 5070 1 10 . 1 1 82 82 GLY N N 82 101.700 101.700 107.676 -5.976 17818 5071 1 10 . 1 1 82 82 GLY CA C 82 47.300 47.300 47.083 0.217 17818 5072 1 10 . 1 1 82 82 GLY H H 82 9.580 9.580 7.954 1.626 17818 5073 1 10 . 1 1 83 83 TRP N N 83 119.300 119.300 121.450 -2.150 17818 5074 1 10 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.243 -0.233 17818 5075 1 10 . 1 1 83 83 TRP CA C 83 59.300 59.300 57.141 2.159 17818 5076 1 10 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.388 0.712 17818 5077 1 10 . 1 1 83 83 TRP H H 83 7.450 7.450 7.191 0.259 17818 5078 1 10 . 1 1 84 84 ASP N N 84 120.900 120.900 119.714 1.186 17818 5079 1 10 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.481 -0.481 17818 5080 1 10 . 1 1 84 84 ASP CA C 84 58.200 58.200 58.216 -0.016 17818 5081 1 10 . 1 1 84 84 ASP CB C 84 41.000 41.000 40.846 0.154 17818 5082 1 10 . 1 1 84 84 ASP H H 84 7.120 7.120 8.254 -1.134 17818 5083 1 10 . 1 1 85 85 GLN N N 85 114.500 114.500 118.406 -3.906 17818 5084 1 10 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.109 -0.109 17818 5085 1 10 . 1 1 85 85 GLN CA C 85 58.200 58.200 57.940 0.260 17818 5086 1 10 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.786 0.114 17818 5087 1 10 . 1 1 85 85 GLN H H 85 8.360 8.360 7.965 0.395 17818 5088 1 10 . 1 1 86 86 GLY N N 86 106.300 106.300 108.153 -1.853 17818 5089 1 10 . 1 1 86 86 GLY CA C 86 47.700 47.700 46.969 0.731 17818 5090 1 10 . 1 1 86 86 GLY H H 86 7.960 7.960 7.904 0.056 17818 5091 1 10 . 1 1 87 87 VAL N N 87 125.300 125.300 117.336 7.964 17818 5092 1 10 . 1 1 87 87 VAL HA H 87 3.630 3.630 3.968 -0.338 17818 5093 1 10 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.468 1.933 17818 5094 1 10 . 1 1 87 87 VAL CB C 87 30.300 30.300 31.114 -0.814 17818 5095 1 10 . 1 1 87 87 VAL H H 87 9.090 9.090 8.038 1.052 17818 5096 1 10 . 1 1 88 88 ALA N N 88 116.500 116.500 123.261 -6.761 17818 5097 1 10 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.108 -0.118 17818 5098 1 10 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.798 -0.498 17818 5099 1 10 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.307 0.293 17818 5100 1 10 . 1 1 88 88 ALA H H 88 6.750 6.750 8.090 -1.340 17818 5101 1 10 . 1 1 89 89 THR N N 89 105.500 105.500 113.160 -7.660 17818 5102 1 10 . 1 1 89 89 THR HA H 89 4.520 4.520 4.404 0.116 17818 5103 1 10 . 1 1 89 89 THR CA C 89 62.300 62.300 63.385 -1.085 17818 5104 1 10 . 1 1 89 89 THR CB C 89 71.100 71.100 69.440 1.660 17818 5105 1 10 . 1 1 89 89 THR H H 89 7.400 7.400 8.235 -0.835 17818 5106 1 10 . 1 1 90 90 MET N N 90 122.400 122.400 117.026 5.374 17818 5107 1 10 . 1 1 90 90 MET CA C 90 56.200 56.200 54.897 1.303 17818 5108 1 10 . 1 1 90 90 MET CB C 90 36.800 36.800 35.538 1.262 17818 5109 1 10 . 1 1 90 90 MET H H 90 7.550 7.550 7.376 0.174 17818 5110 1 10 . 1 1 91 91 THR N N 91 105.200 105.200 108.097 -2.897 17818 5111 1 10 . 1 1 91 91 THR HA H 91 5.120 5.120 4.835 0.285 17818 5112 1 10 . 1 1 91 91 THR CA C 91 59.800 59.800 59.546 0.254 17818 5113 1 10 . 1 1 91 91 THR CB C 91 71.900 71.900 72.374 -0.474 17818 5114 1 10 . 1 1 91 91 THR H H 91 7.350 7.350 8.380 -1.030 17818 5115 1 10 . 1 1 92 92 LEU N N 92 121.200 121.200 122.041 -0.841 17818 5116 1 10 . 1 1 92 92 LEU HA H 92 3.600 3.600 3.990 -0.390 17818 5117 1 10 . 1 1 92 92 LEU CA C 92 58.100 58.100 56.056 2.044 17818 5118 1 10 . 1 1 92 92 LEU CB C 92 43.400 43.400 42.586 0.814 17818 5119 1 10 . 1 1 92 92 LEU H H 92 8.180 8.180 8.139 0.041 17818 5120 1 10 . 1 1 93 93 GLY N N 93 115.800 115.800 112.737 3.063 17818 5121 1 10 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.521 -0.821 17818 5122 1 10 . 1 1 93 93 GLY H H 93 8.490 8.490 8.605 -0.115 17818 5123 1 10 . 1 1 94 94 GLU N N 94 123.700 123.700 120.175 3.525 17818 5124 1 10 . 1 1 94 94 GLU HA H 94 4.290 4.290 5.024 -0.734 17818 5125 1 10 . 1 1 94 94 GLU CA C 94 56.100 56.100 54.460 1.640 17818 5126 1 10 . 1 1 94 94 GLU CB C 94 33.500 33.500 33.466 0.034 17818 5127 1 10 . 1 1 94 94 GLU H H 94 8.650 8.650 7.613 1.037 17818 5128 1 10 . 1 1 95 95 LYS N N 95 124.200 124.200 127.001 -2.801 17818 5129 1 10 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.055 0.505 17818 5130 1 10 . 1 1 95 95 LYS CA C 95 54.600 54.600 54.959 -0.359 17818 5131 1 10 . 1 1 95 95 LYS CB C 95 35.300 35.300 35.842 -0.542 17818 5132 1 10 . 1 1 95 95 LYS H H 95 8.950 8.950 9.073 -0.123 17818 5133 1 10 . 1 1 96 96 ALA N N 96 129.100 129.100 129.323 -0.223 17818 5134 1 10 . 1 1 96 96 ALA HA H 96 4.990 4.990 5.150 -0.160 17818 5135 1 10 . 1 1 96 96 ALA CA C 96 50.500 50.500 50.498 0.002 17818 5136 1 10 . 1 1 96 96 ALA CB C 96 23.900 23.900 23.113 0.787 17818 5137 1 10 . 1 1 96 96 ALA H H 96 9.530 9.530 9.295 0.235 17818 5138 1 10 . 1 1 97 97 LEU N N 97 122.200 122.200 122.940 -0.740 17818 5139 1 10 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.729 0.451 17818 5140 1 10 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.288 -1.288 17818 5141 1 10 . 1 1 97 97 LEU CB C 97 45.800 45.800 43.535 2.265 17818 5142 1 10 . 1 1 97 97 LEU H H 97 9.100 9.100 8.938 0.162 17818 5143 1 10 . 1 1 98 98 PHE N N 98 125.800 125.800 129.205 -3.405 17818 5144 1 10 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.469 0.231 17818 5145 1 10 . 1 1 98 98 PHE CA C 98 56.500 56.500 55.786 0.714 17818 5146 1 10 . 1 1 98 98 PHE CB C 98 42.300 42.300 43.299 -0.999 17818 5147 1 10 . 1 1 98 98 PHE H H 98 9.940 9.940 9.214 0.726 17818 5148 1 10 . 1 1 99 99 THR N N 99 121.600 121.600 125.170 -3.570 17818 5149 1 10 . 1 1 99 99 THR CA C 99 63.500 63.500 62.590 0.910 17818 5150 1 10 . 1 1 99 99 THR CB C 99 68.600 68.600 68.794 -0.194 17818 5151 1 10 . 1 1 99 99 THR H H 99 9.100 9.100 8.468 0.632 17818 5152 1 10 . 1 1 100 100 ILE N N 100 127.400 127.400 129.162 -1.762 17818 5153 1 10 . 1 1 100 100 ILE CA C 100 58.700 58.700 57.301 1.399 17818 5154 1 10 . 1 1 100 100 ILE CB C 100 39.400 39.400 37.120 2.280 17818 5155 1 10 . 1 1 100 100 ILE H H 100 9.880 9.880 9.127 0.753 17818 5156 1 10 . 1 1 101 101 PRO CA C 101 62.200 62.200 61.997 0.203 17818 5157 1 10 . 1 1 101 101 PRO CB C 101 32.500 32.500 32.054 0.446 17818 5158 1 10 . 1 1 102 102 TYR N N 102 118.100 118.100 119.867 -1.767 17818 5159 1 10 . 1 1 102 102 TYR HA H 102 4.470 4.470 4.011 0.459 17818 5160 1 10 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.796 0.304 17818 5161 1 10 . 1 1 102 102 TYR CB C 102 37.000 37.000 37.019 -0.019 17818 5162 1 10 . 1 1 102 102 TYR H H 102 8.450 8.450 8.150 0.300 17818 5163 1 10 . 1 1 103 103 GLN N N 103 123.800 123.800 116.081 7.719 17818 5164 1 10 . 1 1 103 103 GLN HA H 103 4.050 4.050 4.033 0.017 17818 5165 1 10 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.333 2.167 17818 5166 1 10 . 1 1 103 103 GLN CB C 103 27.300 27.300 28.226 -0.926 17818 5167 1 10 . 1 1 103 103 GLN H H 103 9.080 9.080 7.624 1.456 17818 5168 1 10 . 1 1 104 104 LEU N N 104 116.800 116.800 118.727 -1.927 17818 5169 1 10 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.575 -0.055 17818 5170 1 10 . 1 1 104 104 LEU CA C 104 53.100 53.100 53.917 -0.817 17818 5171 1 10 . 1 1 104 104 LEU CB C 104 43.400 43.400 41.545 1.855 17818 5172 1 10 . 1 1 104 104 LEU H H 104 7.790 7.790 7.627 0.163 17818 5173 1 10 . 1 1 105 105 ALA N N 105 125.400 125.400 120.903 4.497 17818 5174 1 10 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.354 0.116 17818 5175 1 10 . 1 1 105 105 ALA CA C 105 51.000 51.000 51.907 -0.907 17818 5176 1 10 . 1 1 105 105 ALA CB C 105 18.900 18.900 19.840 -0.940 17818 5177 1 10 . 1 1 105 105 ALA H H 105 7.780 7.780 7.157 0.623 17818 5178 1 10 . 1 1 106 106 TYR N N 106 122.000 122.000 117.053 4.947 17818 5179 1 10 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.482 0.128 17818 5180 1 10 . 1 1 106 106 TYR CA C 106 59.300 59.300 57.626 1.674 17818 5181 1 10 . 1 1 106 106 TYR CB C 106 37.400 37.400 37.974 -0.574 17818 5182 1 10 . 1 1 106 106 TYR H H 106 9.430 9.430 8.387 1.043 17818 5183 1 10 . 1 1 107 107 GLY N N 107 105.500 105.500 109.355 -3.855 17818 5184 1 10 . 1 1 107 107 GLY CA C 107 46.500 46.500 46.659 -0.159 17818 5185 1 10 . 1 1 107 107 GLY H H 107 8.490 8.490 8.266 0.224 17818 5186 1 10 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.187 -0.677 17818 5187 1 10 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.283 0.217 17818 5188 1 10 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.549 0.051 17818 5189 1 10 . 1 1 109 109 ARG N N 109 115.900 115.900 120.211 -4.311 17818 5190 1 10 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.073 0.107 17818 5191 1 10 . 1 1 109 109 ARG CA C 109 57.400 57.400 56.205 1.195 17818 5192 1 10 . 1 1 109 109 ARG CB C 109 30.700 30.700 30.977 -0.277 17818 5193 1 10 . 1 1 109 109 ARG H H 109 8.840 8.840 7.718 1.122 17818 5194 1 10 . 1 1 110 110 GLY N N 110 130.700 130.700 105.553 25.147 17818 5195 1 10 . 1 1 110 110 GLY CA C 110 44.800 44.800 44.944 -0.144 17818 5196 1 10 . 1 1 110 110 GLY H H 110 7.140 7.140 8.101 -0.961 17818 5197 1 10 . 1 1 111 111 TYR N N 111 119.700 119.700 119.782 -0.082 17818 5198 1 10 . 1 1 111 111 TYR CA C 111 54.500 54.500 58.957 -4.457 17818 5199 1 10 . 1 1 111 111 TYR CB C 111 38.600 38.600 37.940 0.660 17818 5200 1 10 . 1 1 111 111 TYR H H 111 8.570 8.570 8.550 0.020 17818 5201 1 10 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.352 -0.552 17818 5202 1 10 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.678 2.622 17818 5203 1 10 . 1 1 114 114 VAL N N 114 122.900 122.900 116.297 6.603 17818 5204 1 10 . 1 1 114 114 VAL HA H 114 3.850 3.850 3.984 -0.134 17818 5205 1 10 . 1 1 114 114 VAL CA C 114 65.600 65.600 63.874 1.726 17818 5206 1 10 . 1 1 114 114 VAL CB C 114 33.000 33.000 32.304 0.696 17818 5207 1 10 . 1 1 114 114 VAL H H 114 7.870 7.870 7.825 0.045 17818 5208 1 10 . 1 1 115 115 ILE N N 115 118.100 118.100 121.169 -3.069 17818 5209 1 10 . 1 1 115 115 ILE CA C 115 56.300 56.300 57.127 -0.827 17818 5210 1 10 . 1 1 115 115 ILE CB C 115 37.700 37.700 38.198 -0.498 17818 5211 1 10 . 1 1 115 115 ILE H H 115 7.550 7.550 7.839 -0.289 17818 5212 1 10 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.350 -0.730 17818 5213 1 10 . 1 1 117 117 PRO CA C 117 63.400 63.400 62.871 0.529 17818 5214 1 10 . 1 1 117 117 PRO CB C 117 32.800 32.800 32.515 0.285 17818 5215 1 10 . 1 1 118 118 LYS N N 118 115.100 115.100 115.521 -0.421 17818 5216 1 10 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.691 -1.111 17818 5217 1 10 . 1 1 118 118 LYS CA C 118 57.900 57.900 57.128 0.772 17818 5218 1 10 . 1 1 118 118 LYS CB C 118 29.700 29.700 30.184 -0.484 17818 5219 1 10 . 1 1 118 118 LYS H H 118 7.330 7.330 8.183 -0.853 17818 5220 1 10 . 1 1 119 119 ALA N N 119 121.900 121.900 121.418 0.482 17818 5221 1 10 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.582 -0.132 17818 5222 1 10 . 1 1 119 119 ALA CA C 119 52.700 52.700 51.061 1.639 17818 5223 1 10 . 1 1 119 119 ALA CB C 119 20.100 20.100 20.268 -0.168 17818 5224 1 10 . 1 1 119 119 ALA H H 119 7.900 7.900 7.851 0.049 17818 5225 1 10 . 1 1 120 120 THR N N 120 121.800 121.800 120.767 1.033 17818 5226 1 10 . 1 1 120 120 THR CA C 120 63.100 63.100 63.887 -0.787 17818 5227 1 10 . 1 1 120 120 THR CB C 120 69.800 69.800 69.297 0.503 17818 5228 1 10 . 1 1 120 120 THR H H 120 8.170 8.170 8.500 -0.330 17818 5229 1 10 . 1 1 121 121 LEU N N 121 124.200 124.200 128.175 -3.975 17818 5230 1 10 . 1 1 121 121 LEU CA C 121 53.100 53.100 52.867 0.233 17818 5231 1 10 . 1 1 121 121 LEU CB C 121 46.300 46.300 46.179 0.121 17818 5232 1 10 . 1 1 121 121 LEU H H 121 8.640 8.640 8.992 -0.352 17818 5233 1 10 . 1 1 122 122 VAL N N 122 122.200 122.200 123.933 -1.733 17818 5234 1 10 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.218 1.072 17818 5235 1 10 . 1 1 122 122 VAL CA C 122 60.700 60.700 62.150 -1.450 17818 5236 1 10 . 1 1 122 122 VAL CB C 122 33.300 33.300 31.870 1.430 17818 5237 1 10 . 1 1 122 122 VAL H H 122 8.860 8.860 8.603 0.257 17818 5238 1 10 . 1 1 123 123 PHE N N 123 122.900 122.900 128.319 -5.419 17818 5239 1 10 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.469 -0.069 17818 5240 1 10 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.029 -0.629 17818 5241 1 10 . 1 1 123 123 PHE CB C 123 44.000 44.000 41.565 2.435 17818 5242 1 10 . 1 1 123 123 PHE H H 123 9.620 9.620 9.364 0.256 17818 5243 1 10 . 1 1 124 124 GLU N N 124 125.500 125.500 125.734 -0.234 17818 5244 1 10 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.691 1.209 17818 5245 1 10 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.635 -1.035 17818 5246 1 10 . 1 1 124 124 GLU CB C 124 31.800 31.800 29.479 2.321 17818 5247 1 10 . 1 1 124 124 GLU H H 124 9.180 9.180 8.849 0.331 17818 5248 1 10 . 1 1 125 125 VAL N N 125 128.100 128.100 119.838 8.262 17818 5249 1 10 . 1 1 125 125 VAL CA C 125 61.300 61.300 60.135 1.165 17818 5250 1 10 . 1 1 125 125 VAL CB C 125 35.800 35.800 33.960 1.840 17818 5251 1 10 . 1 1 125 125 VAL H H 125 9.600 9.600 8.984 0.616 17818 5252 1 10 . 1 1 126 126 GLU N N 126 128.500 128.500 124.455 4.045 17818 5253 1 10 . 1 1 126 126 GLU HA H 126 5.630 5.630 4.894 0.736 17818 5254 1 10 . 1 1 126 126 GLU CA C 126 53.500 53.500 55.083 -1.583 17818 5255 1 10 . 1 1 126 126 GLU CB C 126 34.000 34.000 34.280 -0.280 17818 5256 1 10 . 1 1 126 126 GLU H H 126 9.420 9.420 8.961 0.459 17818 5257 1 10 . 1 1 127 127 LEU N N 127 127.900 127.900 128.815 -0.915 17818 5258 1 10 . 1 1 127 127 LEU CA C 127 55.100 55.100 54.174 0.926 17818 5259 1 10 . 1 1 127 127 LEU CB C 127 41.400 41.400 41.382 0.018 17818 5260 1 10 . 1 1 127 127 LEU H H 127 8.720 8.720 9.063 -0.343 17818 5261 1 10 . 1 1 128 128 LEU N N 128 128.700 128.700 128.061 0.639 17818 5262 1 10 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.495 -0.095 17818 5263 1 10 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.275 0.625 17818 5264 1 10 . 1 1 128 128 LEU CB C 128 43.700 43.700 42.118 1.581 17818 5265 1 10 . 1 1 128 128 LEU H H 128 8.690 8.690 8.838 -0.148 17818 5266 1 10 . 1 1 129 129 ALA N N 129 118.600 118.600 117.035 1.565 17818 5267 1 10 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.584 -0.124 17818 5268 1 10 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.547 1.253 17818 5269 1 10 . 1 1 129 129 ALA CB C 129 21.100 21.100 21.752 -0.652 17818 5270 1 10 . 1 1 129 129 ALA H H 129 7.810 7.810 7.945 -0.135 17818 5271 1 11 . 1 1 8 8 HIS CA C 8 54.700 54.700 55.253 -0.553 17818 5272 1 11 . 1 1 8 8 HIS CB C 8 31.200 31.200 31.973 -0.773 17818 5273 1 11 . 1 1 9 9 MET N N 9 120.000 120.000 123.113 -3.113 17818 5274 1 11 . 1 1 9 9 MET HA H 9 4.280 4.280 4.502 -0.222 17818 5275 1 11 . 1 1 9 9 MET CA C 9 55.500 55.500 55.861 -0.361 17818 5276 1 11 . 1 1 9 9 MET CB C 9 32.500 32.500 33.589 -1.089 17818 5277 1 11 . 1 1 9 9 MET H H 9 8.110 8.110 8.602 -0.492 17818 5278 1 11 . 1 1 10 10 GLY N N 10 109.800 109.800 109.159 0.641 17818 5279 1 11 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.305 0.995 17818 5280 1 11 . 1 1 10 10 GLY H H 10 8.440 8.440 8.199 0.241 17818 5281 1 11 . 1 1 11 11 THR N N 11 113.600 113.600 116.138 -2.538 17818 5282 1 11 . 1 1 11 11 THR HA H 11 4.330 4.330 4.187 0.143 17818 5283 1 11 . 1 1 11 11 THR CA C 11 62.000 62.000 62.331 -0.331 17818 5284 1 11 . 1 1 11 11 THR CB C 11 69.900 69.900 68.763 1.137 17818 5285 1 11 . 1 1 11 11 THR H H 11 8.070 8.070 7.889 0.181 17818 5286 1 11 . 1 1 12 12 LEU N N 12 124.200 124.200 117.634 6.566 17818 5287 1 11 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.500 -0.180 17818 5288 1 11 . 1 1 12 12 LEU CA C 12 55.500 55.500 54.827 0.673 17818 5289 1 11 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.678 0.422 17818 5290 1 11 . 1 1 12 12 LEU H H 12 8.380 8.380 7.542 0.838 17818 5291 1 11 . 1 1 13 13 GLU N N 13 121.600 121.600 121.319 0.281 17818 5292 1 11 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.192 0.008 17818 5293 1 11 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.691 0.210 17818 5294 1 11 . 1 1 13 13 GLU CB C 13 30.000 30.000 28.054 1.946 17818 5295 1 11 . 1 1 13 13 GLU H H 13 8.430 8.430 8.020 0.410 17818 5296 1 11 . 1 1 14 14 ALA N N 14 124.400 124.400 127.099 -2.699 17818 5297 1 11 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.575 -0.305 17818 5298 1 11 . 1 1 14 14 ALA CA C 14 52.700 52.700 51.501 1.199 17818 5299 1 11 . 1 1 14 14 ALA CB C 14 19.100 19.100 20.749 -1.649 17818 5300 1 11 . 1 1 14 14 ALA H H 14 8.290 8.290 7.789 0.501 17818 5301 1 11 . 1 1 15 15 GLN N N 15 119.100 119.100 119.710 -0.610 17818 5302 1 11 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.559 -0.169 17818 5303 1 11 . 1 1 15 15 GLN CA C 15 56.000 56.000 55.669 0.331 17818 5304 1 11 . 1 1 15 15 GLN CB C 15 29.400 29.400 29.528 -0.128 17818 5305 1 11 . 1 1 15 15 GLN H H 15 8.370 8.370 8.502 -0.132 17818 5306 1 11 . 1 1 16 16 THR N N 16 114.900 114.900 114.318 0.582 17818 5307 1 11 . 1 1 16 16 THR CA C 16 62.100 62.100 62.741 -0.641 17818 5308 1 11 . 1 1 16 16 THR CB C 16 69.800 69.800 69.689 0.112 17818 5309 1 11 . 1 1 16 16 THR H H 16 8.200 8.200 8.253 -0.053 17818 5310 1 11 . 1 1 17 17 GLN N N 17 122.200 122.200 120.596 1.604 17818 5311 1 11 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.604 -0.174 17818 5312 1 11 . 1 1 17 17 GLN CA C 17 55.600 55.600 55.131 0.469 17818 5313 1 11 . 1 1 17 17 GLN CB C 17 29.700 29.700 30.586 -0.886 17818 5314 1 11 . 1 1 17 17 GLN H H 17 8.420 8.420 7.810 0.610 17818 5315 1 11 . 1 1 18 18 GLY N N 18 110.100 110.100 108.371 1.729 17818 5316 1 11 . 1 1 18 18 GLY CA C 18 44.600 44.600 42.822 1.778 17818 5317 1 11 . 1 1 18 18 GLY H H 18 8.360 8.360 8.376 -0.016 17818 5318 1 11 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.425 0.015 17818 5319 1 11 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.509 0.091 17818 5320 1 11 . 1 1 19 19 PRO CB C 19 32.000 32.000 32.133 -0.133 17818 5321 1 11 . 1 1 20 20 GLY N N 20 109.400 109.400 108.433 0.967 17818 5322 1 11 . 1 1 20 20 GLY CA C 20 45.300 45.300 44.605 0.695 17818 5323 1 11 . 1 1 20 20 GLY H H 20 8.630 8.630 8.368 0.262 17818 5324 1 11 . 1 1 21 21 SER N N 21 115.400 115.400 117.349 -1.949 17818 5325 1 11 . 1 1 21 21 SER CA C 21 63.800 63.800 56.964 6.836 17818 5326 1 11 . 1 1 21 21 SER CB C 21 69.800 69.800 64.530 5.270 17818 5327 1 11 . 1 1 21 21 SER H H 21 4.180 4.180 8.104 -3.924 17818 5328 1 11 . 1 1 22 22 MET N N 22 121.900 121.900 125.801 -3.901 17818 5329 1 11 . 1 1 22 22 MET CA C 22 55.500 55.500 56.005 -0.505 17818 5330 1 11 . 1 1 22 22 MET CB C 22 32.800 32.800 30.509 2.291 17818 5331 1 11 . 1 1 22 22 MET H H 22 8.440 8.440 8.834 -0.394 17818 5332 1 11 . 1 1 23 23 SER N N 23 116.600 116.600 118.425 -1.825 17818 5333 1 11 . 1 1 23 23 SER HA H 23 4.400 4.400 4.785 -0.385 17818 5334 1 11 . 1 1 23 23 SER CA C 23 58.300 58.300 56.973 1.327 17818 5335 1 11 . 1 1 23 23 SER CB C 23 63.700 63.700 65.862 -2.162 17818 5336 1 11 . 1 1 23 23 SER H H 23 8.290 8.290 8.522 -0.232 17818 5337 1 11 . 1 1 24 24 ALA N N 24 125.700 125.700 124.804 0.896 17818 5338 1 11 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.173 0.117 17818 5339 1 11 . 1 1 24 24 ALA CA C 24 52.100 52.100 52.120 -0.020 17818 5340 1 11 . 1 1 24 24 ALA CB C 24 19.300 19.300 17.975 1.325 17818 5341 1 11 . 1 1 24 24 ALA H H 24 8.200 8.200 8.372 -0.172 17818 5342 1 11 . 1 1 25 25 GLN N N 25 118.300 118.300 122.201 -3.901 17818 5343 1 11 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.399 0.111 17818 5344 1 11 . 1 1 25 25 GLN CA C 25 54.200 54.200 54.818 -0.618 17818 5345 1 11 . 1 1 25 25 GLN CB C 25 31.300 31.300 30.126 1.174 17818 5346 1 11 . 1 1 25 25 GLN H H 25 8.280 8.280 7.956 0.324 17818 5347 1 11 . 1 1 26 26 LEU N N 26 122.100 122.100 124.821 -2.721 17818 5348 1 11 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.396 0.064 17818 5349 1 11 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.528 0.772 17818 5350 1 11 . 1 1 26 26 LEU CB C 26 43.500 43.500 45.047 -1.547 17818 5351 1 11 . 1 1 26 26 LEU H H 26 8.480 8.480 8.308 0.172 17818 5352 1 11 . 1 1 27 27 GLU N N 27 125.300 125.300 126.830 -1.530 17818 5353 1 11 . 1 1 27 27 GLU CA C 27 55.300 55.300 55.282 0.018 17818 5354 1 11 . 1 1 27 27 GLU CB C 27 32.400 32.400 31.708 0.692 17818 5355 1 11 . 1 1 27 27 GLU H H 27 8.240 8.240 8.403 -0.163 17818 5356 1 11 . 1 1 28 28 LYS N N 28 125.000 125.000 123.678 1.322 17818 5357 1 11 . 1 1 28 28 LYS HA H 28 4.610 4.610 5.196 -0.586 17818 5358 1 11 . 1 1 28 28 LYS CA C 28 54.500 54.500 54.617 -0.117 17818 5359 1 11 . 1 1 28 28 LYS CB C 28 35.700 35.700 33.242 2.458 17818 5360 1 11 . 1 1 28 28 LYS H H 28 8.810 8.810 8.634 0.176 17818 5361 1 11 . 1 1 29 29 LYS N N 29 128.100 128.100 126.174 1.926 17818 5362 1 11 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.572 0.458 17818 5363 1 11 . 1 1 29 29 LYS CA C 29 55.000 55.000 54.717 0.283 17818 5364 1 11 . 1 1 29 29 LYS CB C 29 36.200 36.200 34.540 1.660 17818 5365 1 11 . 1 1 29 29 LYS H H 29 8.850 8.850 8.727 0.123 17818 5366 1 11 . 1 1 30 30 VAL N N 30 127.200 127.200 128.125 -0.925 17818 5367 1 11 . 1 1 30 30 VAL HA H 30 3.660 3.660 4.002 -0.342 17818 5368 1 11 . 1 1 30 30 VAL CA C 30 64.800 64.800 62.905 1.895 17818 5369 1 11 . 1 1 30 30 VAL CB C 30 31.600 31.600 32.051 -0.451 17818 5370 1 11 . 1 1 30 30 VAL H H 30 9.170 9.170 8.902 0.268 17818 5371 1 11 . 1 1 31 31 LEU N N 31 129.800 129.800 130.541 -0.741 17818 5372 1 11 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.379 0.061 17818 5373 1 11 . 1 1 31 31 LEU CA C 31 56.000 56.000 56.559 -0.559 17818 5374 1 11 . 1 1 31 31 LEU CB C 31 41.800 41.800 42.666 -0.866 17818 5375 1 11 . 1 1 31 31 LEU H H 31 9.020 9.020 9.031 -0.011 17818 5376 1 11 . 1 1 32 32 THR N N 32 115.700 115.700 113.737 1.963 17818 5377 1 11 . 1 1 32 32 THR CA C 32 59.300 59.300 60.483 -1.183 17818 5378 1 11 . 1 1 32 32 THR CB C 32 72.500 72.500 70.334 2.166 17818 5379 1 11 . 1 1 32 32 THR H H 32 8.220 8.220 7.976 0.244 17818 5380 1 11 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.493 -0.203 17818 5381 1 11 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.596 0.404 17818 5382 1 11 . 1 1 33 33 PRO CB C 33 32.400 32.400 32.004 0.396 17818 5383 1 11 . 1 1 34 34 GLY N N 34 109.400 109.400 112.404 -3.004 17818 5384 1 11 . 1 1 34 34 GLY CA C 34 44.200 44.200 43.610 0.590 17818 5385 1 11 . 1 1 34 34 GLY H H 34 9.010 9.010 8.173 0.837 17818 5386 1 11 . 1 1 35 35 ASP N N 35 119.400 119.400 121.616 -2.216 17818 5387 1 11 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.321 0.009 17818 5388 1 11 . 1 1 35 35 ASP CA C 35 54.700 54.700 57.375 -2.675 17818 5389 1 11 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.156 -1.756 17818 5390 1 11 . 1 1 35 35 ASP H H 35 8.370 8.370 8.460 -0.090 17818 5391 1 11 . 1 1 36 36 GLY N N 36 107.900 107.900 105.765 2.135 17818 5392 1 11 . 1 1 36 36 GLY CA C 36 46.000 46.000 46.359 -0.359 17818 5393 1 11 . 1 1 36 36 GLY H H 36 8.750 8.750 8.632 0.118 17818 5394 1 11 . 1 1 37 37 VAL N N 37 116.200 116.200 113.199 3.001 17818 5395 1 11 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.231 0.269 17818 5396 1 11 . 1 1 37 37 VAL CA C 37 62.500 62.500 61.499 1.001 17818 5397 1 11 . 1 1 37 37 VAL CB C 37 35.900 35.900 32.224 3.676 17818 5398 1 11 . 1 1 37 37 VAL H H 37 8.590 8.590 7.709 0.881 17818 5399 1 11 . 1 1 38 38 THR N N 38 126.400 126.400 113.362 13.038 17818 5400 1 11 . 1 1 38 38 THR HA H 38 4.210 4.210 4.311 -0.101 17818 5401 1 11 . 1 1 38 38 THR CA C 38 63.300 63.300 62.235 1.065 17818 5402 1 11 . 1 1 38 38 THR CB C 38 65.800 65.800 69.071 -3.271 17818 5403 1 11 . 1 1 38 38 THR H H 38 10.650 10.650 7.670 2.980 17818 5404 1 11 . 1 1 39 39 LYS N N 39 127.000 127.000 126.755 0.245 17818 5405 1 11 . 1 1 39 39 LYS CA C 39 53.400 53.400 54.525 -1.125 17818 5406 1 11 . 1 1 39 39 LYS CB C 39 33.200 33.200 32.560 0.640 17818 5407 1 11 . 1 1 39 39 LYS H H 39 8.390 8.390 8.489 -0.099 17818 5408 1 11 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.469 -0.269 17818 5409 1 11 . 1 1 40 40 PRO CB C 40 33.300 33.300 32.814 0.486 17818 5410 1 11 . 1 1 41 41 GLN N N 41 120.900 120.900 116.214 4.686 17818 5411 1 11 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.501 -0.041 17818 5412 1 11 . 1 1 41 41 GLN CA C 41 53.700 53.700 54.343 -0.643 17818 5413 1 11 . 1 1 41 41 GLN CB C 41 31.500 31.500 31.051 0.449 17818 5414 1 11 . 1 1 41 41 GLN H H 41 8.750 8.750 8.253 0.497 17818 5415 1 11 . 1 1 42 42 ALA N N 42 125.700 125.700 122.300 3.400 17818 5416 1 11 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.113 -0.333 17818 5417 1 11 . 1 1 42 42 ALA CA C 42 53.400 53.400 52.964 0.437 17818 5418 1 11 . 1 1 42 42 ALA CB C 42 17.800 17.800 18.430 -0.630 17818 5419 1 11 . 1 1 42 42 ALA H H 42 8.550 8.550 8.429 0.121 17818 5420 1 11 . 1 1 43 43 GLY N N 43 109.700 109.700 110.359 -0.659 17818 5421 1 11 . 1 1 43 43 GLY CA C 43 45.200 45.200 44.794 0.406 17818 5422 1 11 . 1 1 43 43 GLY H H 43 8.970 8.970 8.598 0.372 17818 5423 1 11 . 1 1 44 44 LYS N N 44 120.300 120.300 122.549 -2.249 17818 5424 1 11 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.448 0.222 17818 5425 1 11 . 1 1 44 44 LYS CA C 44 53.800 53.800 54.330 -0.530 17818 5426 1 11 . 1 1 44 44 LYS CB C 44 34.100 34.100 33.296 0.804 17818 5427 1 11 . 1 1 44 44 LYS H H 44 7.920 7.920 7.455 0.465 17818 5428 1 11 . 1 1 45 45 LYS N N 45 120.800 120.800 126.097 -5.297 17818 5429 1 11 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.408 0.112 17818 5430 1 11 . 1 1 45 45 LYS CA C 45 56.300 56.300 55.425 0.875 17818 5431 1 11 . 1 1 45 45 LYS CB C 45 32.900 32.900 31.724 1.175 17818 5432 1 11 . 1 1 45 45 LYS H H 45 8.340 8.340 8.619 -0.279 17818 5433 1 11 . 1 1 46 46 VAL N N 46 117.600 117.600 123.069 -5.469 17818 5434 1 11 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.374 0.186 17818 5435 1 11 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.317 -0.417 17818 5436 1 11 . 1 1 46 46 VAL CB C 46 33.900 33.900 34.339 -0.439 17818 5437 1 11 . 1 1 46 46 VAL H H 46 8.560 8.560 8.644 -0.084 17818 5438 1 11 . 1 1 47 47 THR N N 47 115.600 115.600 121.464 -5.864 17818 5439 1 11 . 1 1 47 47 THR HA H 47 5.100 5.100 4.637 0.463 17818 5440 1 11 . 1 1 47 47 THR CA C 47 61.600 61.600 62.505 -0.905 17818 5441 1 11 . 1 1 47 47 THR CB C 47 69.800 69.800 67.856 1.944 17818 5442 1 11 . 1 1 47 47 THR H H 47 8.130 8.130 8.582 -0.452 17818 5443 1 11 . 1 1 48 48 VAL N N 48 118.100 118.100 120.346 -2.246 17818 5444 1 11 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.316 0.474 17818 5445 1 11 . 1 1 48 48 VAL CA C 48 58.000 58.000 58.310 -0.310 17818 5446 1 11 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.714 -0.214 17818 5447 1 11 . 1 1 48 48 VAL H H 48 9.740 9.740 9.130 0.610 17818 5448 1 11 . 1 1 49 49 HIS N N 49 119.000 119.000 117.263 1.737 17818 5449 1 11 . 1 1 49 49 HIS HA H 49 5.810 5.810 4.885 0.925 17818 5450 1 11 . 1 1 49 49 HIS CA C 49 54.600 54.600 54.268 0.332 17818 5451 1 11 . 1 1 49 49 HIS CB C 49 35.600 35.600 33.986 1.615 17818 5452 1 11 . 1 1 49 49 HIS H H 49 8.630 8.630 8.221 0.409 17818 5453 1 11 . 1 1 50 50 TYR N N 50 116.800 116.800 121.004 -4.204 17818 5454 1 11 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.616 0.614 17818 5455 1 11 . 1 1 50 50 TYR CA C 50 56.000 56.000 56.164 -0.164 17818 5456 1 11 . 1 1 50 50 TYR CB C 50 43.500 43.500 42.235 1.265 17818 5457 1 11 . 1 1 50 50 TYR H H 50 9.870 9.870 8.960 0.910 17818 5458 1 11 . 1 1 51 51 ASP N N 51 120.400 120.400 118.556 1.844 17818 5459 1 11 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.830 0.120 17818 5460 1 11 . 1 1 51 51 ASP CA C 51 54.400 54.400 53.441 0.959 17818 5461 1 11 . 1 1 51 51 ASP CB C 51 44.900 44.900 45.287 -0.387 17818 5462 1 11 . 1 1 51 51 ASP H H 51 8.840 8.840 8.626 0.214 17818 5463 1 11 . 1 1 52 52 GLY N N 52 112.500 112.500 107.677 4.823 17818 5464 1 11 . 1 1 52 52 GLY CA C 52 45.300 45.300 44.053 1.246 17818 5465 1 11 . 1 1 52 52 GLY H H 52 9.130 9.130 8.094 1.036 17818 5466 1 11 . 1 1 53 53 ARG N N 53 125.200 125.200 123.704 1.496 17818 5467 1 11 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.669 0.361 17818 5468 1 11 . 1 1 53 53 ARG CA C 53 53.900 53.900 54.371 -0.471 17818 5469 1 11 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.699 0.101 17818 5470 1 11 . 1 1 53 53 ARG H H 53 9.370 9.370 8.719 0.651 17818 5471 1 11 . 1 1 54 54 PHE N N 54 119.400 119.400 122.867 -3.467 17818 5472 1 11 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.927 -0.687 17818 5473 1 11 . 1 1 54 54 PHE CA C 54 57.300 57.300 56.489 0.811 17818 5474 1 11 . 1 1 54 54 PHE CB C 54 37.700 37.700 38.668 -0.968 17818 5475 1 11 . 1 1 54 54 PHE H H 54 8.770 8.770 9.151 -0.381 17818 5476 1 11 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.309 -0.029 17818 5477 1 11 . 1 1 55 55 PRO CA C 55 65.700 65.700 64.572 1.128 17818 5478 1 11 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.765 0.035 17818 5479 1 11 . 1 1 56 56 ASP N N 56 113.600 113.600 116.477 -2.877 17818 5480 1 11 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.530 -0.060 17818 5481 1 11 . 1 1 56 56 ASP CA C 56 53.900 53.900 54.840 -0.940 17818 5482 1 11 . 1 1 56 56 ASP CB C 56 39.800 39.800 40.772 -0.972 17818 5483 1 11 . 1 1 56 56 ASP H H 56 7.780 7.780 8.259 -0.479 17818 5484 1 11 . 1 1 57 57 GLY N N 57 108.700 108.700 108.262 0.438 17818 5485 1 11 . 1 1 57 57 GLY CA C 57 44.900 44.900 44.769 0.131 17818 5486 1 11 . 1 1 57 57 GLY H H 57 8.440 8.440 7.899 0.541 17818 5487 1 11 . 1 1 58 58 LYS N N 58 122.800 122.800 122.078 0.722 17818 5488 1 11 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.433 -0.183 17818 5489 1 11 . 1 1 58 58 LYS CA C 58 57.500 57.500 56.586 0.914 17818 5490 1 11 . 1 1 58 58 LYS CB C 58 32.600 32.600 33.126 -0.526 17818 5491 1 11 . 1 1 58 58 LYS H H 58 8.230 8.230 8.093 0.137 17818 5492 1 11 . 1 1 59 59 GLN N N 59 125.800 125.800 123.771 2.029 17818 5493 1 11 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.597 -0.147 17818 5494 1 11 . 1 1 59 59 GLN CA C 59 56.300 56.300 54.824 1.476 17818 5495 1 11 . 1 1 59 59 GLN CB C 59 30.900 30.900 30.574 0.326 17818 5496 1 11 . 1 1 59 59 GLN H H 59 8.810 8.810 8.406 0.404 17818 5497 1 11 . 1 1 60 60 PHE N N 60 121.200 121.200 120.732 0.468 17818 5498 1 11 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.648 0.452 17818 5499 1 11 . 1 1 60 60 PHE CA C 60 56.500 56.500 58.984 -2.484 17818 5500 1 11 . 1 1 60 60 PHE CB C 60 40.900 40.900 39.586 1.314 17818 5501 1 11 . 1 1 60 60 PHE H H 60 8.340 8.340 8.726 -0.386 17818 5502 1 11 . 1 1 61 61 ASP N N 61 119.100 119.100 117.956 1.144 17818 5503 1 11 . 1 1 61 61 ASP CA C 61 54.700 54.700 53.612 1.088 17818 5504 1 11 . 1 1 61 61 ASP CB C 61 44.200 44.200 43.396 0.804 17818 5505 1 11 . 1 1 61 61 ASP H H 61 7.030 7.030 6.882 0.148 17818 5506 1 11 . 1 1 62 62 SER N N 62 117.400 117.400 120.609 -3.209 17818 5507 1 11 . 1 1 62 62 SER CA C 62 57.000 57.000 57.540 -0.540 17818 5508 1 11 . 1 1 62 62 SER CB C 62 64.800 64.800 62.119 2.681 17818 5509 1 11 . 1 1 62 62 SER H H 62 8.100 8.100 8.560 -0.460 17818 5510 1 11 . 1 1 63 63 SER N N 63 123.600 123.600 123.018 0.582 17818 5511 1 11 . 1 1 63 63 SER HA H 63 4.200 4.200 4.389 -0.189 17818 5512 1 11 . 1 1 63 63 SER CA C 63 61.300 61.300 60.581 0.718 17818 5513 1 11 . 1 1 63 63 SER CB C 63 61.300 61.300 62.929 -1.629 17818 5514 1 11 . 1 1 63 63 SER H H 63 8.070 8.070 8.153 -0.083 17818 5515 1 11 . 1 1 64 64 ARG N N 64 124.000 124.000 120.966 3.034 17818 5516 1 11 . 1 1 64 64 ARG HA H 64 3.620 3.620 4.064 -0.444 17818 5517 1 11 . 1 1 64 64 ARG CA C 64 59.300 59.300 58.877 0.423 17818 5518 1 11 . 1 1 64 64 ARG CB C 64 28.800 28.800 29.192 -0.392 17818 5519 1 11 . 1 1 64 64 ARG H H 64 8.810 8.810 8.699 0.111 17818 5520 1 11 . 1 1 65 65 SER N N 65 114.600 114.600 114.711 -0.111 17818 5521 1 11 . 1 1 65 65 SER HA H 65 4.190 4.190 4.397 -0.207 17818 5522 1 11 . 1 1 65 65 SER CA C 65 60.700 60.700 59.647 1.053 17818 5523 1 11 . 1 1 65 65 SER CB C 65 62.700 62.700 63.029 -0.329 17818 5524 1 11 . 1 1 65 65 SER H H 65 7.800 7.800 8.228 -0.428 17818 5525 1 11 . 1 1 66 66 ARG N N 66 118.000 118.000 120.267 -2.267 17818 5526 1 11 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.285 0.135 17818 5527 1 11 . 1 1 66 66 ARG CA C 66 57.100 57.100 56.413 0.687 17818 5528 1 11 . 1 1 66 66 ARG CB C 66 31.500 31.500 30.484 1.016 17818 5529 1 11 . 1 1 66 66 ARG H H 66 7.110 7.110 7.374 -0.264 17818 5530 1 11 . 1 1 67 67 GLY N N 67 106.700 106.700 108.267 -1.567 17818 5531 1 11 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.474 0.326 17818 5532 1 11 . 1 1 67 67 GLY H H 67 7.800 7.800 7.739 0.061 17818 5533 1 11 . 1 1 68 68 LYS N N 68 117.600 117.600 120.512 -2.912 17818 5534 1 11 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.689 0.321 17818 5535 1 11 . 1 1 68 68 LYS CA C 68 53.100 53.100 52.918 0.182 17818 5536 1 11 . 1 1 68 68 LYS CB C 68 34.900 34.900 34.733 0.167 17818 5537 1 11 . 1 1 68 68 LYS H H 68 7.440 7.440 7.876 -0.436 17818 5538 1 11 . 1 1 69 69 PRO HA H 69 4.060 4.060 4.774 -0.714 17818 5539 1 11 . 1 1 69 69 PRO CA C 69 62.700 62.700 61.887 0.813 17818 5540 1 11 . 1 1 69 69 PRO CB C 69 32.300 32.300 32.637 -0.337 17818 5541 1 11 . 1 1 70 70 PHE N N 70 123.200 123.200 119.065 4.135 17818 5542 1 11 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.857 0.183 17818 5543 1 11 . 1 1 70 70 PHE CA C 70 57.100 57.100 57.448 -0.348 17818 5544 1 11 . 1 1 70 70 PHE CB C 70 42.900 42.900 42.926 -0.026 17818 5545 1 11 . 1 1 70 70 PHE H H 70 9.180 9.180 8.944 0.236 17818 5546 1 11 . 1 1 71 71 GLN N N 71 126.000 126.000 126.756 -0.756 17818 5547 1 11 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.461 0.289 17818 5548 1 11 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.221 -0.921 17818 5549 1 11 . 1 1 71 71 GLN CB C 71 32.900 32.900 30.572 2.328 17818 5550 1 11 . 1 1 71 71 GLN H H 71 8.020 8.020 7.951 0.069 17818 5551 1 11 . 1 1 72 72 PHE N N 72 116.800 116.800 119.631 -2.831 17818 5552 1 11 . 1 1 72 72 PHE HA H 72 4.700 4.700 4.855 -0.155 17818 5553 1 11 . 1 1 72 72 PHE CA C 72 55.500 55.500 55.885 -0.385 17818 5554 1 11 . 1 1 72 72 PHE CB C 72 40.900 40.900 41.431 -0.531 17818 5555 1 11 . 1 1 72 72 PHE H H 72 8.110 8.110 8.718 -0.608 17818 5556 1 11 . 1 1 73 73 THR N N 73 118.800 118.800 118.098 0.702 17818 5557 1 11 . 1 1 73 73 THR HA H 73 3.960 3.960 4.668 -0.708 17818 5558 1 11 . 1 1 73 73 THR CA C 73 62.600 62.600 62.999 -0.399 17818 5559 1 11 . 1 1 73 73 THR CB C 73 67.500 67.500 69.015 -1.515 17818 5560 1 11 . 1 1 73 73 THR H H 73 9.080 9.080 9.153 -0.073 17818 5561 1 11 . 1 1 74 74 LEU N N 74 132.500 132.500 128.215 4.285 17818 5562 1 11 . 1 1 74 74 LEU HA H 74 4.140 4.140 4.198 -0.058 17818 5563 1 11 . 1 1 74 74 LEU CA C 74 56.800 56.800 55.833 0.967 17818 5564 1 11 . 1 1 74 74 LEU CB C 74 41.800 41.800 42.626 -0.826 17818 5565 1 11 . 1 1 74 74 LEU H H 74 8.220 8.220 8.659 -0.439 17818 5566 1 11 . 1 1 75 75 GLY N N 75 118.100 118.100 113.563 4.537 17818 5567 1 11 . 1 1 75 75 GLY CA C 75 46.200 46.200 45.401 0.799 17818 5568 1 11 . 1 1 75 75 GLY H H 75 9.850 9.850 8.543 1.307 17818 5569 1 11 . 1 1 76 76 ALA N N 76 120.600 120.600 121.693 -1.093 17818 5570 1 11 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.768 -0.268 17818 5571 1 11 . 1 1 76 76 ALA CA C 76 51.900 51.900 50.723 1.177 17818 5572 1 11 . 1 1 76 76 ALA CB C 76 20.200 20.200 20.777 -0.577 17818 5573 1 11 . 1 1 76 76 ALA H H 76 7.550 7.550 7.760 -0.210 17818 5574 1 11 . 1 1 77 77 GLY N N 77 110.500 110.500 106.959 3.541 17818 5575 1 11 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.668 0.732 17818 5576 1 11 . 1 1 77 77 GLY H H 77 8.790 8.790 8.795 -0.005 17818 5577 1 11 . 1 1 78 78 GLU N N 78 119.400 119.400 119.259 0.141 17818 5578 1 11 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.327 -0.177 17818 5579 1 11 . 1 1 78 78 GLU CA C 78 57.200 57.200 57.268 -0.068 17818 5580 1 11 . 1 1 78 78 GLU CB C 78 30.900 30.900 30.195 0.705 17818 5581 1 11 . 1 1 78 78 GLU H H 78 9.240 9.240 8.623 0.617 17818 5582 1 11 . 1 1 79 79 VAL N N 79 108.600 108.600 113.352 -4.752 17818 5583 1 11 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.579 -0.359 17818 5584 1 11 . 1 1 79 79 VAL CA C 79 57.300 57.300 59.863 -2.563 17818 5585 1 11 . 1 1 79 79 VAL CB C 79 35.400 35.400 34.733 0.667 17818 5586 1 11 . 1 1 79 79 VAL H H 79 6.760 6.760 7.542 -0.782 17818 5587 1 11 . 1 1 80 80 ILE N N 80 111.800 111.800 116.208 -4.408 17818 5588 1 11 . 1 1 80 80 ILE HA H 80 3.800 3.800 4.117 -0.317 17818 5589 1 11 . 1 1 80 80 ILE CA C 80 61.800 61.800 61.066 0.735 17818 5590 1 11 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.652 -0.652 17818 5591 1 11 . 1 1 80 80 ILE H H 80 7.300 7.300 8.057 -0.757 17818 5592 1 11 . 1 1 81 81 LYS N N 81 124.700 124.700 124.863 -0.163 17818 5593 1 11 . 1 1 81 81 LYS HA H 81 4.160 4.160 4.003 0.157 17818 5594 1 11 . 1 1 81 81 LYS CA C 81 59.700 59.700 58.979 0.721 17818 5595 1 11 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.828 0.972 17818 5596 1 11 . 1 1 81 81 LYS H H 81 8.880 8.880 8.713 0.167 17818 5597 1 11 . 1 1 82 82 GLY N N 82 101.700 101.700 106.774 -5.074 17818 5598 1 11 . 1 1 82 82 GLY CA C 82 47.300 47.300 47.280 0.020 17818 5599 1 11 . 1 1 82 82 GLY H H 82 9.580 9.580 8.078 1.502 17818 5600 1 11 . 1 1 83 83 TRP N N 83 119.300 119.300 121.910 -2.610 17818 5601 1 11 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.410 -0.400 17818 5602 1 11 . 1 1 83 83 TRP CA C 83 59.300 59.300 57.738 1.562 17818 5603 1 11 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.604 0.496 17818 5604 1 11 . 1 1 83 83 TRP H H 83 7.450 7.450 7.395 0.055 17818 5605 1 11 . 1 1 84 84 ASP N N 84 120.900 120.900 120.692 0.208 17818 5606 1 11 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.359 -0.359 17818 5607 1 11 . 1 1 84 84 ASP CA C 84 58.200 58.200 58.067 0.133 17818 5608 1 11 . 1 1 84 84 ASP CB C 84 41.000 41.000 40.874 0.126 17818 5609 1 11 . 1 1 84 84 ASP H H 84 7.120 7.120 8.442 -1.322 17818 5610 1 11 . 1 1 85 85 GLN N N 85 114.500 114.500 118.566 -4.066 17818 5611 1 11 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.036 -0.036 17818 5612 1 11 . 1 1 85 85 GLN CA C 85 58.200 58.200 58.264 -0.064 17818 5613 1 11 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.809 0.091 17818 5614 1 11 . 1 1 85 85 GLN H H 85 8.360 8.360 8.360 -0.000 17818 5615 1 11 . 1 1 86 86 GLY N N 86 106.300 106.300 108.288 -1.988 17818 5616 1 11 . 1 1 86 86 GLY CA C 86 47.700 47.700 46.302 1.398 17818 5617 1 11 . 1 1 86 86 GLY H H 86 7.960 7.960 7.789 0.171 17818 5618 1 11 . 1 1 87 87 VAL N N 87 125.300 125.300 122.101 3.199 17818 5619 1 11 . 1 1 87 87 VAL HA H 87 3.630 3.630 3.968 -0.338 17818 5620 1 11 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.379 2.021 17818 5621 1 11 . 1 1 87 87 VAL CB C 87 30.300 30.300 31.954 -1.654 17818 5622 1 11 . 1 1 87 87 VAL H H 87 9.090 9.090 8.103 0.987 17818 5623 1 11 . 1 1 88 88 ALA N N 88 116.500 116.500 122.979 -6.479 17818 5624 1 11 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.150 -0.160 17818 5625 1 11 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.651 -0.351 17818 5626 1 11 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.577 0.023 17818 5627 1 11 . 1 1 88 88 ALA H H 88 6.750 6.750 8.059 -1.309 17818 5628 1 11 . 1 1 89 89 THR N N 89 105.500 105.500 113.028 -7.528 17818 5629 1 11 . 1 1 89 89 THR HA H 89 4.520 4.520 4.394 0.127 17818 5630 1 11 . 1 1 89 89 THR CA C 89 62.300 62.300 62.215 0.085 17818 5631 1 11 . 1 1 89 89 THR CB C 89 71.100 71.100 68.853 2.247 17818 5632 1 11 . 1 1 89 89 THR H H 89 7.400 7.400 8.053 -0.653 17818 5633 1 11 . 1 1 90 90 MET N N 90 122.400 122.400 117.250 5.150 17818 5634 1 11 . 1 1 90 90 MET CA C 90 56.200 56.200 53.886 2.314 17818 5635 1 11 . 1 1 90 90 MET CB C 90 36.800 36.800 36.382 0.418 17818 5636 1 11 . 1 1 90 90 MET H H 90 7.550 7.550 7.414 0.136 17818 5637 1 11 . 1 1 91 91 THR N N 91 105.200 105.200 109.809 -4.609 17818 5638 1 11 . 1 1 91 91 THR HA H 91 5.120 5.120 4.640 0.480 17818 5639 1 11 . 1 1 91 91 THR CA C 91 59.800 59.800 59.679 0.121 17818 5640 1 11 . 1 1 91 91 THR CB C 91 71.900 71.900 72.177 -0.277 17818 5641 1 11 . 1 1 91 91 THR H H 91 7.350 7.350 8.380 -1.030 17818 5642 1 11 . 1 1 92 92 LEU N N 92 121.200 121.200 120.646 0.554 17818 5643 1 11 . 1 1 92 92 LEU HA H 92 3.600 3.600 4.009 -0.409 17818 5644 1 11 . 1 1 92 92 LEU CA C 92 58.100 58.100 55.634 2.466 17818 5645 1 11 . 1 1 92 92 LEU CB C 92 43.400 43.400 42.959 0.441 17818 5646 1 11 . 1 1 92 92 LEU H H 92 8.180 8.180 8.131 0.049 17818 5647 1 11 . 1 1 93 93 GLY N N 93 115.800 115.800 111.115 4.685 17818 5648 1 11 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.313 -0.613 17818 5649 1 11 . 1 1 93 93 GLY H H 93 8.490 8.490 8.578 -0.088 17818 5650 1 11 . 1 1 94 94 GLU N N 94 123.700 123.700 120.289 3.411 17818 5651 1 11 . 1 1 94 94 GLU HA H 94 4.290 4.290 4.922 -0.632 17818 5652 1 11 . 1 1 94 94 GLU CA C 94 56.100 56.100 54.578 1.522 17818 5653 1 11 . 1 1 94 94 GLU CB C 94 33.500 33.500 33.383 0.117 17818 5654 1 11 . 1 1 94 94 GLU H H 94 8.650 8.650 7.535 1.115 17818 5655 1 11 . 1 1 95 95 LYS N N 95 124.200 124.200 123.642 0.558 17818 5656 1 11 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.178 0.382 17818 5657 1 11 . 1 1 95 95 LYS CA C 95 54.600 54.600 55.125 -0.525 17818 5658 1 11 . 1 1 95 95 LYS CB C 95 35.300 35.300 36.117 -0.817 17818 5659 1 11 . 1 1 95 95 LYS H H 95 8.950 8.950 8.823 0.127 17818 5660 1 11 . 1 1 96 96 ALA N N 96 129.100 129.100 128.989 0.111 17818 5661 1 11 . 1 1 96 96 ALA HA H 96 4.990 4.990 5.402 -0.412 17818 5662 1 11 . 1 1 96 96 ALA CA C 96 50.500 50.500 50.324 0.176 17818 5663 1 11 . 1 1 96 96 ALA CB C 96 23.900 23.900 23.369 0.531 17818 5664 1 11 . 1 1 96 96 ALA H H 96 9.530 9.530 9.323 0.207 17818 5665 1 11 . 1 1 97 97 LEU N N 97 122.200 122.200 122.178 0.022 17818 5666 1 11 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.742 0.438 17818 5667 1 11 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.358 -1.358 17818 5668 1 11 . 1 1 97 97 LEU CB C 97 45.800 45.800 43.323 2.477 17818 5669 1 11 . 1 1 97 97 LEU H H 97 9.100 9.100 8.761 0.339 17818 5670 1 11 . 1 1 98 98 PHE N N 98 125.800 125.800 129.940 -4.140 17818 5671 1 11 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.773 -0.073 17818 5672 1 11 . 1 1 98 98 PHE CA C 98 56.500 56.500 55.593 0.908 17818 5673 1 11 . 1 1 98 98 PHE CB C 98 42.300 42.300 43.425 -1.125 17818 5674 1 11 . 1 1 98 98 PHE H H 98 9.940 9.940 9.243 0.697 17818 5675 1 11 . 1 1 99 99 THR N N 99 121.600 121.600 124.071 -2.471 17818 5676 1 11 . 1 1 99 99 THR CA C 99 63.500 63.500 62.604 0.896 17818 5677 1 11 . 1 1 99 99 THR CB C 99 68.600 68.600 69.285 -0.685 17818 5678 1 11 . 1 1 99 99 THR H H 99 9.100 9.100 8.190 0.910 17818 5679 1 11 . 1 1 100 100 ILE N N 100 127.400 127.400 128.659 -1.259 17818 5680 1 11 . 1 1 100 100 ILE CA C 100 58.700 58.700 56.675 2.025 17818 5681 1 11 . 1 1 100 100 ILE CB C 100 39.400 39.400 38.155 1.245 17818 5682 1 11 . 1 1 100 100 ILE H H 100 9.880 9.880 8.897 0.983 17818 5683 1 11 . 1 1 101 101 PRO CA C 101 62.200 62.200 62.443 -0.243 17818 5684 1 11 . 1 1 101 101 PRO CB C 101 32.500 32.500 31.851 0.649 17818 5685 1 11 . 1 1 102 102 TYR N N 102 118.100 118.100 120.171 -2.071 17818 5686 1 11 . 1 1 102 102 TYR HA H 102 4.470 4.470 4.061 0.409 17818 5687 1 11 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.370 0.730 17818 5688 1 11 . 1 1 102 102 TYR CB C 102 37.000 37.000 37.199 -0.199 17818 5689 1 11 . 1 1 102 102 TYR H H 102 8.450 8.450 8.147 0.303 17818 5690 1 11 . 1 1 103 103 GLN N N 103 123.800 123.800 116.969 6.831 17818 5691 1 11 . 1 1 103 103 GLN HA H 103 4.050 4.050 4.061 -0.011 17818 5692 1 11 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.462 2.038 17818 5693 1 11 . 1 1 103 103 GLN CB C 103 27.300 27.300 28.398 -1.098 17818 5694 1 11 . 1 1 103 103 GLN H H 103 9.080 9.080 7.756 1.324 17818 5695 1 11 . 1 1 104 104 LEU N N 104 116.800 116.800 116.523 0.277 17818 5696 1 11 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.518 0.002 17818 5697 1 11 . 1 1 104 104 LEU CA C 104 53.100 53.100 53.932 -0.832 17818 5698 1 11 . 1 1 104 104 LEU CB C 104 43.400 43.400 42.488 0.912 17818 5699 1 11 . 1 1 104 104 LEU H H 104 7.790 7.790 7.778 0.012 17818 5700 1 11 . 1 1 105 105 ALA N N 105 125.400 125.400 120.690 4.710 17818 5701 1 11 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.465 0.005 17818 5702 1 11 . 1 1 105 105 ALA CA C 105 51.000 51.000 51.985 -0.985 17818 5703 1 11 . 1 1 105 105 ALA CB C 105 18.900 18.900 19.901 -1.000 17818 5704 1 11 . 1 1 105 105 ALA H H 105 7.780 7.780 7.254 0.526 17818 5705 1 11 . 1 1 106 106 TYR N N 106 122.000 122.000 118.379 3.621 17818 5706 1 11 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.430 0.180 17818 5707 1 11 . 1 1 106 106 TYR CA C 106 59.300 59.300 58.303 0.997 17818 5708 1 11 . 1 1 106 106 TYR CB C 106 37.400 37.400 37.953 -0.553 17818 5709 1 11 . 1 1 106 106 TYR H H 106 9.430 9.430 8.763 0.667 17818 5710 1 11 . 1 1 107 107 GLY N N 107 105.500 105.500 109.134 -3.634 17818 5711 1 11 . 1 1 107 107 GLY CA C 107 46.500 46.500 46.585 -0.085 17818 5712 1 11 . 1 1 107 107 GLY H H 107 8.490 8.490 8.129 0.361 17818 5713 1 11 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.140 -0.630 17818 5714 1 11 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.132 0.368 17818 5715 1 11 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.678 -0.078 17818 5716 1 11 . 1 1 109 109 ARG N N 109 115.900 115.900 119.658 -3.758 17818 5717 1 11 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.210 -0.030 17818 5718 1 11 . 1 1 109 109 ARG CA C 109 57.400 57.400 55.741 1.659 17818 5719 1 11 . 1 1 109 109 ARG CB C 109 30.700 30.700 31.334 -0.634 17818 5720 1 11 . 1 1 109 109 ARG H H 109 8.840 8.840 7.819 1.021 17818 5721 1 11 . 1 1 110 110 GLY N N 110 130.700 130.700 105.959 24.741 17818 5722 1 11 . 1 1 110 110 GLY CA C 110 44.800 44.800 45.049 -0.249 17818 5723 1 11 . 1 1 110 110 GLY H H 110 7.140 7.140 8.255 -1.115 17818 5724 1 11 . 1 1 111 111 TYR N N 111 119.700 119.700 121.304 -1.604 17818 5725 1 11 . 1 1 111 111 TYR CA C 111 54.500 54.500 59.210 -4.710 17818 5726 1 11 . 1 1 111 111 TYR CB C 111 38.600 38.600 38.789 -0.189 17818 5727 1 11 . 1 1 111 111 TYR H H 111 8.570 8.570 8.820 -0.250 17818 5728 1 11 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.678 -0.878 17818 5729 1 11 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.778 2.522 17818 5730 1 11 . 1 1 114 114 VAL N N 114 122.900 122.900 111.353 11.547 17818 5731 1 11 . 1 1 114 114 VAL HA H 114 3.850 3.850 4.065 -0.215 17818 5732 1 11 . 1 1 114 114 VAL CA C 114 65.600 65.600 63.474 2.126 17818 5733 1 11 . 1 1 114 114 VAL CB C 114 33.000 33.000 31.669 1.331 17818 5734 1 11 . 1 1 114 114 VAL H H 114 7.870 7.870 7.740 0.130 17818 5735 1 11 . 1 1 115 115 ILE N N 115 118.100 118.100 122.497 -4.397 17818 5736 1 11 . 1 1 115 115 ILE CA C 115 56.300 56.300 57.201 -0.901 17818 5737 1 11 . 1 1 115 115 ILE CB C 115 37.700 37.700 37.887 -0.187 17818 5738 1 11 . 1 1 115 115 ILE H H 115 7.550 7.550 7.861 -0.311 17818 5739 1 11 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.226 -0.606 17818 5740 1 11 . 1 1 117 117 PRO CA C 117 63.400 63.400 63.621 -0.221 17818 5741 1 11 . 1 1 117 117 PRO CB C 117 32.800 32.800 31.762 1.038 17818 5742 1 11 . 1 1 118 118 LYS N N 118 115.100 115.100 114.778 0.322 17818 5743 1 11 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.561 -0.981 17818 5744 1 11 . 1 1 118 118 LYS CA C 118 57.900 57.900 57.138 0.762 17818 5745 1 11 . 1 1 118 118 LYS CB C 118 29.700 29.700 30.220 -0.520 17818 5746 1 11 . 1 1 118 118 LYS H H 118 7.330 7.330 8.329 -0.999 17818 5747 1 11 . 1 1 119 119 ALA N N 119 121.900 121.900 121.944 -0.044 17818 5748 1 11 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.444 0.006 17818 5749 1 11 . 1 1 119 119 ALA CA C 119 52.700 52.700 51.472 1.228 17818 5750 1 11 . 1 1 119 119 ALA CB C 119 20.100 20.100 19.817 0.283 17818 5751 1 11 . 1 1 119 119 ALA H H 119 7.900 7.900 7.805 0.095 17818 5752 1 11 . 1 1 120 120 THR N N 120 121.800 121.800 120.368 1.432 17818 5753 1 11 . 1 1 120 120 THR CA C 120 63.100 63.100 64.001 -0.901 17818 5754 1 11 . 1 1 120 120 THR CB C 120 69.800 69.800 69.554 0.246 17818 5755 1 11 . 1 1 120 120 THR H H 120 8.170 8.170 8.451 -0.281 17818 5756 1 11 . 1 1 121 121 LEU N N 121 124.200 124.200 127.358 -3.158 17818 5757 1 11 . 1 1 121 121 LEU CA C 121 53.100 53.100 53.047 0.053 17818 5758 1 11 . 1 1 121 121 LEU CB C 121 46.300 46.300 45.988 0.312 17818 5759 1 11 . 1 1 121 121 LEU H H 121 8.640 8.640 8.945 -0.305 17818 5760 1 11 . 1 1 122 122 VAL N N 122 122.200 122.200 124.535 -2.335 17818 5761 1 11 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.286 1.004 17818 5762 1 11 . 1 1 122 122 VAL CA C 122 60.700 60.700 62.161 -1.461 17818 5763 1 11 . 1 1 122 122 VAL CB C 122 33.300 33.300 32.654 0.646 17818 5764 1 11 . 1 1 122 122 VAL H H 122 8.860 8.860 8.677 0.183 17818 5765 1 11 . 1 1 123 123 PHE N N 123 122.900 122.900 126.568 -3.668 17818 5766 1 11 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.457 -0.057 17818 5767 1 11 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.155 -0.755 17818 5768 1 11 . 1 1 123 123 PHE CB C 123 44.000 44.000 42.917 1.083 17818 5769 1 11 . 1 1 123 123 PHE H H 123 9.620 9.620 9.600 0.020 17818 5770 1 11 . 1 1 124 124 GLU N N 124 125.500 125.500 124.609 0.891 17818 5771 1 11 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.763 1.137 17818 5772 1 11 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.458 -0.858 17818 5773 1 11 . 1 1 124 124 GLU CB C 124 31.800 31.800 30.118 1.682 17818 5774 1 11 . 1 1 124 124 GLU H H 124 9.180 9.180 8.712 0.468 17818 5775 1 11 . 1 1 125 125 VAL N N 125 128.100 128.100 120.011 8.089 17818 5776 1 11 . 1 1 125 125 VAL CA C 125 61.300 61.300 60.660 0.640 17818 5777 1 11 . 1 1 125 125 VAL CB C 125 35.800 35.800 33.510 2.290 17818 5778 1 11 . 1 1 125 125 VAL H H 125 9.600 9.600 9.154 0.446 17818 5779 1 11 . 1 1 126 126 GLU N N 126 128.500 128.500 127.095 1.405 17818 5780 1 11 . 1 1 126 126 GLU HA H 126 5.630 5.630 4.891 0.739 17818 5781 1 11 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.410 -0.910 17818 5782 1 11 . 1 1 126 126 GLU CB C 126 34.000 34.000 33.550 0.450 17818 5783 1 11 . 1 1 126 126 GLU H H 126 9.420 9.420 8.708 0.712 17818 5784 1 11 . 1 1 127 127 LEU N N 127 127.900 127.900 128.964 -1.064 17818 5785 1 11 . 1 1 127 127 LEU CA C 127 55.100 55.100 54.218 0.882 17818 5786 1 11 . 1 1 127 127 LEU CB C 127 41.400 41.400 41.500 -0.100 17818 5787 1 11 . 1 1 127 127 LEU H H 127 8.720 8.720 9.003 -0.283 17818 5788 1 11 . 1 1 128 128 LEU N N 128 128.700 128.700 128.217 0.483 17818 5789 1 11 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.412 -0.012 17818 5790 1 11 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.617 0.283 17818 5791 1 11 . 1 1 128 128 LEU CB C 128 43.700 43.700 42.035 1.665 17818 5792 1 11 . 1 1 128 128 LEU H H 128 8.690 8.690 8.821 -0.131 17818 5793 1 11 . 1 1 129 129 ALA N N 129 118.600 118.600 116.868 1.732 17818 5794 1 11 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.423 0.037 17818 5795 1 11 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.963 0.837 17818 5796 1 11 . 1 1 129 129 ALA CB C 129 21.100 21.100 21.389 -0.289 17818 5797 1 11 . 1 1 129 129 ALA H H 129 7.810 7.810 7.851 -0.041 17818 5798 1 12 . 1 1 8 8 HIS CA C 8 54.700 54.700 54.981 -0.281 17818 5799 1 12 . 1 1 8 8 HIS CB C 8 31.200 31.200 31.156 0.044 17818 5800 1 12 . 1 1 9 9 MET N N 9 120.000 120.000 121.874 -1.874 17818 5801 1 12 . 1 1 9 9 MET HA H 9 4.280 4.280 4.601 -0.321 17818 5802 1 12 . 1 1 9 9 MET CA C 9 55.500 55.500 55.389 0.111 17818 5803 1 12 . 1 1 9 9 MET CB C 9 32.500 32.500 35.428 -2.928 17818 5804 1 12 . 1 1 9 9 MET H H 9 8.110 8.110 8.671 -0.561 17818 5805 1 12 . 1 1 10 10 GLY N N 10 109.800 109.800 113.968 -4.168 17818 5806 1 12 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.671 0.629 17818 5807 1 12 . 1 1 10 10 GLY H H 10 8.440 8.440 8.830 -0.390 17818 5808 1 12 . 1 1 11 11 THR N N 11 113.600 113.600 116.120 -2.520 17818 5809 1 12 . 1 1 11 11 THR HA H 11 4.330 4.330 4.232 0.098 17818 5810 1 12 . 1 1 11 11 THR CA C 11 62.000 62.000 63.513 -1.513 17818 5811 1 12 . 1 1 11 11 THR CB C 11 69.900 69.900 69.880 0.020 17818 5812 1 12 . 1 1 11 11 THR H H 11 8.070 8.070 7.570 0.500 17818 5813 1 12 . 1 1 12 12 LEU N N 12 124.200 124.200 118.547 5.653 17818 5814 1 12 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.703 -0.383 17818 5815 1 12 . 1 1 12 12 LEU CA C 12 55.500 55.500 54.659 0.841 17818 5816 1 12 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.804 -0.705 17818 5817 1 12 . 1 1 12 12 LEU H H 12 8.380 8.380 8.053 0.327 17818 5818 1 12 . 1 1 13 13 GLU N N 13 121.600 121.600 121.052 0.548 17818 5819 1 12 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.376 -0.176 17818 5820 1 12 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.420 1.480 17818 5821 1 12 . 1 1 13 13 GLU CB C 13 30.000 30.000 29.956 0.044 17818 5822 1 12 . 1 1 13 13 GLU H H 13 8.430 8.430 7.849 0.581 17818 5823 1 12 . 1 1 14 14 ALA N N 14 124.400 124.400 130.091 -5.691 17818 5824 1 12 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.268 0.002 17818 5825 1 12 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.641 0.059 17818 5826 1 12 . 1 1 14 14 ALA CB C 14 19.100 19.100 18.253 0.847 17818 5827 1 12 . 1 1 14 14 ALA H H 14 8.290 8.290 8.763 -0.473 17818 5828 1 12 . 1 1 15 15 GLN N N 15 119.100 119.100 122.980 -3.880 17818 5829 1 12 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.531 -0.141 17818 5830 1 12 . 1 1 15 15 GLN CA C 15 56.000 56.000 55.898 0.103 17818 5831 1 12 . 1 1 15 15 GLN CB C 15 29.400 29.400 31.241 -1.841 17818 5832 1 12 . 1 1 15 15 GLN H H 15 8.370 8.370 8.189 0.181 17818 5833 1 12 . 1 1 16 16 THR N N 16 114.900 114.900 120.181 -5.281 17818 5834 1 12 . 1 1 16 16 THR CA C 16 62.100 62.100 61.411 0.689 17818 5835 1 12 . 1 1 16 16 THR CB C 16 69.800 69.800 72.223 -2.423 17818 5836 1 12 . 1 1 16 16 THR H H 16 8.200 8.200 8.788 -0.588 17818 5837 1 12 . 1 1 17 17 GLN N N 17 122.200 122.200 124.386 -2.186 17818 5838 1 12 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.208 0.222 17818 5839 1 12 . 1 1 17 17 GLN CA C 17 55.600 55.600 56.612 -1.012 17818 5840 1 12 . 1 1 17 17 GLN CB C 17 29.700 29.700 27.585 2.115 17818 5841 1 12 . 1 1 17 17 GLN H H 17 8.420 8.420 8.733 -0.313 17818 5842 1 12 . 1 1 18 18 GLY N N 18 110.100 110.100 113.422 -3.322 17818 5843 1 12 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.242 0.358 17818 5844 1 12 . 1 1 18 18 GLY H H 18 8.360 8.360 7.848 0.512 17818 5845 1 12 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.454 -0.014 17818 5846 1 12 . 1 1 19 19 PRO CA C 19 63.600 63.600 62.789 0.811 17818 5847 1 12 . 1 1 19 19 PRO CB C 19 32.000 32.000 31.191 0.809 17818 5848 1 12 . 1 1 20 20 GLY N N 20 109.400 109.400 111.491 -2.091 17818 5849 1 12 . 1 1 20 20 GLY CA C 20 45.300 45.300 43.956 1.343 17818 5850 1 12 . 1 1 20 20 GLY H H 20 8.630 8.630 7.728 0.902 17818 5851 1 12 . 1 1 21 21 SER N N 21 115.400 115.400 116.475 -1.075 17818 5852 1 12 . 1 1 21 21 SER CA C 21 63.800 63.800 60.687 3.113 17818 5853 1 12 . 1 1 21 21 SER CB C 21 69.800 69.800 63.008 6.792 17818 5854 1 12 . 1 1 21 21 SER H H 21 4.180 4.180 8.632 -4.452 17818 5855 1 12 . 1 1 22 22 MET N N 22 121.900 121.900 118.006 3.894 17818 5856 1 12 . 1 1 22 22 MET CA C 22 55.500 55.500 55.543 -0.043 17818 5857 1 12 . 1 1 22 22 MET CB C 22 32.800 32.800 31.328 1.472 17818 5858 1 12 . 1 1 22 22 MET H H 22 8.440 8.440 8.057 0.383 17818 5859 1 12 . 1 1 23 23 SER N N 23 116.600 116.600 113.757 2.843 17818 5860 1 12 . 1 1 23 23 SER HA H 23 4.400 4.400 4.193 0.207 17818 5861 1 12 . 1 1 23 23 SER CA C 23 58.300 58.300 60.907 -2.607 17818 5862 1 12 . 1 1 23 23 SER CB C 23 63.700 63.700 61.071 2.629 17818 5863 1 12 . 1 1 23 23 SER H H 23 8.290 8.290 8.355 -0.065 17818 5864 1 12 . 1 1 24 24 ALA N N 24 125.700 125.700 129.219 -3.519 17818 5865 1 12 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.150 0.140 17818 5866 1 12 . 1 1 24 24 ALA CA C 24 52.100 52.100 52.675 -0.576 17818 5867 1 12 . 1 1 24 24 ALA CB C 24 19.300 19.300 18.872 0.428 17818 5868 1 12 . 1 1 24 24 ALA H H 24 8.200 8.200 8.000 0.200 17818 5869 1 12 . 1 1 25 25 GLN N N 25 118.300 118.300 120.493 -2.193 17818 5870 1 12 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.610 -0.100 17818 5871 1 12 . 1 1 25 25 GLN CA C 25 54.200 54.200 54.502 -0.302 17818 5872 1 12 . 1 1 25 25 GLN CB C 25 31.300 31.300 32.482 -1.182 17818 5873 1 12 . 1 1 25 25 GLN H H 25 8.280 8.280 8.118 0.162 17818 5874 1 12 . 1 1 26 26 LEU N N 26 122.100 122.100 122.750 -0.650 17818 5875 1 12 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.537 -0.077 17818 5876 1 12 . 1 1 26 26 LEU CA C 26 55.300 55.300 55.117 0.183 17818 5877 1 12 . 1 1 26 26 LEU CB C 26 43.500 43.500 43.639 -0.139 17818 5878 1 12 . 1 1 26 26 LEU H H 26 8.480 8.480 8.584 -0.104 17818 5879 1 12 . 1 1 27 27 GLU N N 27 125.300 125.300 127.252 -1.952 17818 5880 1 12 . 1 1 27 27 GLU CA C 27 55.300 55.300 55.480 -0.180 17818 5881 1 12 . 1 1 27 27 GLU CB C 27 32.400 32.400 31.308 1.092 17818 5882 1 12 . 1 1 27 27 GLU H H 27 8.240 8.240 8.572 -0.332 17818 5883 1 12 . 1 1 28 28 LYS N N 28 125.000 125.000 124.568 0.432 17818 5884 1 12 . 1 1 28 28 LYS HA H 28 4.610 4.610 4.777 -0.167 17818 5885 1 12 . 1 1 28 28 LYS CA C 28 54.500 54.500 54.663 -0.163 17818 5886 1 12 . 1 1 28 28 LYS CB C 28 35.700 35.700 33.331 2.369 17818 5887 1 12 . 1 1 28 28 LYS H H 28 8.810 8.810 8.413 0.397 17818 5888 1 12 . 1 1 29 29 LYS N N 29 128.100 128.100 126.150 1.950 17818 5889 1 12 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.559 0.471 17818 5890 1 12 . 1 1 29 29 LYS CA C 29 55.000 55.000 53.900 1.100 17818 5891 1 12 . 1 1 29 29 LYS CB C 29 36.200 36.200 33.245 2.955 17818 5892 1 12 . 1 1 29 29 LYS H H 29 8.850 8.850 8.795 0.055 17818 5893 1 12 . 1 1 30 30 VAL N N 30 127.200 127.200 127.023 0.177 17818 5894 1 12 . 1 1 30 30 VAL HA H 30 3.660 3.660 3.953 -0.293 17818 5895 1 12 . 1 1 30 30 VAL CA C 30 64.800 64.800 63.394 1.406 17818 5896 1 12 . 1 1 30 30 VAL CB C 30 31.600 31.600 30.153 1.447 17818 5897 1 12 . 1 1 30 30 VAL H H 30 9.170 9.170 8.975 0.195 17818 5898 1 12 . 1 1 31 31 LEU N N 31 129.800 129.800 129.486 0.314 17818 5899 1 12 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.403 0.037 17818 5900 1 12 . 1 1 31 31 LEU CA C 31 56.000 56.000 56.350 -0.350 17818 5901 1 12 . 1 1 31 31 LEU CB C 31 41.800 41.800 42.868 -1.068 17818 5902 1 12 . 1 1 31 31 LEU H H 31 9.020 9.020 8.744 0.276 17818 5903 1 12 . 1 1 32 32 THR N N 32 115.700 115.700 114.443 1.257 17818 5904 1 12 . 1 1 32 32 THR CA C 32 59.300 59.300 59.686 -0.386 17818 5905 1 12 . 1 1 32 32 THR CB C 32 72.500 72.500 70.347 2.152 17818 5906 1 12 . 1 1 32 32 THR H H 32 8.220 8.220 8.146 0.074 17818 5907 1 12 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.352 -0.062 17818 5908 1 12 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.786 0.214 17818 5909 1 12 . 1 1 33 33 PRO CB C 33 32.400 32.400 31.868 0.532 17818 5910 1 12 . 1 1 34 34 GLY N N 34 109.400 109.400 111.881 -2.481 17818 5911 1 12 . 1 1 34 34 GLY CA C 34 44.200 44.200 43.609 0.591 17818 5912 1 12 . 1 1 34 34 GLY H H 34 9.010 9.010 8.485 0.525 17818 5913 1 12 . 1 1 35 35 ASP N N 35 119.400 119.400 119.829 -0.429 17818 5914 1 12 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.343 -0.013 17818 5915 1 12 . 1 1 35 35 ASP CA C 35 54.700 54.700 56.685 -1.985 17818 5916 1 12 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.274 -1.874 17818 5917 1 12 . 1 1 35 35 ASP H H 35 8.370 8.370 8.406 -0.036 17818 5918 1 12 . 1 1 36 36 GLY N N 36 107.900 107.900 106.635 1.265 17818 5919 1 12 . 1 1 36 36 GLY CA C 36 46.000 46.000 45.529 0.471 17818 5920 1 12 . 1 1 36 36 GLY H H 36 8.750 8.750 8.510 0.240 17818 5921 1 12 . 1 1 37 37 VAL N N 37 116.200 116.200 118.099 -1.899 17818 5922 1 12 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.467 0.033 17818 5923 1 12 . 1 1 37 37 VAL CA C 37 62.500 62.500 63.190 -0.690 17818 5924 1 12 . 1 1 37 37 VAL CB C 37 35.900 35.900 32.670 3.230 17818 5925 1 12 . 1 1 37 37 VAL H H 37 8.590 8.590 7.685 0.905 17818 5926 1 12 . 1 1 38 38 THR N N 38 126.400 126.400 117.671 8.729 17818 5927 1 12 . 1 1 38 38 THR HA H 38 4.210 4.210 4.294 -0.084 17818 5928 1 12 . 1 1 38 38 THR CA C 38 63.300 63.300 62.131 1.169 17818 5929 1 12 . 1 1 38 38 THR CB C 38 65.800 65.800 67.229 -1.429 17818 5930 1 12 . 1 1 38 38 THR H H 38 10.650 10.650 8.010 2.640 17818 5931 1 12 . 1 1 39 39 LYS N N 39 127.000 127.000 127.478 -0.478 17818 5932 1 12 . 1 1 39 39 LYS CA C 39 53.400 53.400 53.671 -0.271 17818 5933 1 12 . 1 1 39 39 LYS CB C 39 33.200 33.200 32.998 0.202 17818 5934 1 12 . 1 1 39 39 LYS H H 39 8.390 8.390 7.836 0.554 17818 5935 1 12 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.829 -0.629 17818 5936 1 12 . 1 1 40 40 PRO CB C 40 33.300 33.300 31.987 1.313 17818 5937 1 12 . 1 1 41 41 GLN N N 41 120.900 120.900 123.970 -3.070 17818 5938 1 12 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.466 -0.006 17818 5939 1 12 . 1 1 41 41 GLN CA C 41 53.700 53.700 54.466 -0.766 17818 5940 1 12 . 1 1 41 41 GLN CB C 41 31.500 31.500 30.884 0.616 17818 5941 1 12 . 1 1 41 41 GLN H H 41 8.750 8.750 8.127 0.623 17818 5942 1 12 . 1 1 42 42 ALA N N 42 125.700 125.700 123.190 2.510 17818 5943 1 12 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.037 -0.257 17818 5944 1 12 . 1 1 42 42 ALA CA C 42 53.400 53.400 52.611 0.789 17818 5945 1 12 . 1 1 42 42 ALA CB C 42 17.800 17.800 19.000 -1.200 17818 5946 1 12 . 1 1 42 42 ALA H H 42 8.550 8.550 8.149 0.401 17818 5947 1 12 . 1 1 43 43 GLY N N 43 109.700 109.700 108.403 1.297 17818 5948 1 12 . 1 1 43 43 GLY CA C 43 45.200 45.200 45.158 0.042 17818 5949 1 12 . 1 1 43 43 GLY H H 43 8.970 8.970 8.618 0.352 17818 5950 1 12 . 1 1 44 44 LYS N N 44 120.300 120.300 120.080 0.220 17818 5951 1 12 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.523 0.147 17818 5952 1 12 . 1 1 44 44 LYS CA C 44 53.800 53.800 53.929 -0.129 17818 5953 1 12 . 1 1 44 44 LYS CB C 44 34.100 34.100 35.175 -1.075 17818 5954 1 12 . 1 1 44 44 LYS H H 44 7.920 7.920 7.435 0.485 17818 5955 1 12 . 1 1 45 45 LYS N N 45 120.800 120.800 125.588 -4.788 17818 5956 1 12 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.294 0.226 17818 5957 1 12 . 1 1 45 45 LYS CA C 45 56.300 56.300 56.221 0.079 17818 5958 1 12 . 1 1 45 45 LYS CB C 45 32.900 32.900 31.795 1.105 17818 5959 1 12 . 1 1 45 45 LYS H H 45 8.340 8.340 8.606 -0.266 17818 5960 1 12 . 1 1 46 46 VAL N N 46 117.600 117.600 123.057 -5.457 17818 5961 1 12 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.443 0.117 17818 5962 1 12 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.432 -0.532 17818 5963 1 12 . 1 1 46 46 VAL CB C 46 33.900 33.900 33.454 0.446 17818 5964 1 12 . 1 1 46 46 VAL H H 46 8.560 8.560 8.715 -0.155 17818 5965 1 12 . 1 1 47 47 THR N N 47 115.600 115.600 121.680 -6.080 17818 5966 1 12 . 1 1 47 47 THR HA H 47 5.100 5.100 4.726 0.374 17818 5967 1 12 . 1 1 47 47 THR CA C 47 61.600 61.600 62.484 -0.885 17818 5968 1 12 . 1 1 47 47 THR CB C 47 69.800 69.800 68.537 1.263 17818 5969 1 12 . 1 1 47 47 THR H H 47 8.130 8.130 8.472 -0.342 17818 5970 1 12 . 1 1 48 48 VAL N N 48 118.100 118.100 120.935 -2.835 17818 5971 1 12 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.095 0.695 17818 5972 1 12 . 1 1 48 48 VAL CA C 48 58.000 58.000 58.423 -0.423 17818 5973 1 12 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.548 -0.048 17818 5974 1 12 . 1 1 48 48 VAL H H 48 9.740 9.740 9.193 0.547 17818 5975 1 12 . 1 1 49 49 HIS N N 49 119.000 119.000 118.094 0.906 17818 5976 1 12 . 1 1 49 49 HIS HA H 49 5.810 5.810 4.783 1.027 17818 5977 1 12 . 1 1 49 49 HIS CA C 49 54.600 54.600 54.542 0.058 17818 5978 1 12 . 1 1 49 49 HIS CB C 49 35.600 35.600 33.808 1.792 17818 5979 1 12 . 1 1 49 49 HIS H H 49 8.630 8.630 8.429 0.201 17818 5980 1 12 . 1 1 50 50 TYR N N 50 116.800 116.800 122.646 -5.846 17818 5981 1 12 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.050 1.180 17818 5982 1 12 . 1 1 50 50 TYR CA C 50 56.000 56.000 55.843 0.157 17818 5983 1 12 . 1 1 50 50 TYR CB C 50 43.500 43.500 41.173 2.327 17818 5984 1 12 . 1 1 50 50 TYR H H 50 9.870 9.870 8.498 1.372 17818 5985 1 12 . 1 1 51 51 ASP N N 51 120.400 120.400 120.650 -0.250 17818 5986 1 12 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.718 0.232 17818 5987 1 12 . 1 1 51 51 ASP CA C 51 54.400 54.400 53.037 1.363 17818 5988 1 12 . 1 1 51 51 ASP CB C 51 44.900 44.900 45.078 -0.178 17818 5989 1 12 . 1 1 51 51 ASP H H 51 8.840 8.840 8.655 0.185 17818 5990 1 12 . 1 1 52 52 GLY N N 52 112.500 112.500 109.492 3.008 17818 5991 1 12 . 1 1 52 52 GLY CA C 52 45.300 45.300 44.315 0.985 17818 5992 1 12 . 1 1 52 52 GLY H H 52 9.130 9.130 8.382 0.748 17818 5993 1 12 . 1 1 53 53 ARG N N 53 125.200 125.200 123.420 1.780 17818 5994 1 12 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.562 0.468 17818 5995 1 12 . 1 1 53 53 ARG CA C 53 53.900 53.900 53.940 -0.040 17818 5996 1 12 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.660 0.140 17818 5997 1 12 . 1 1 53 53 ARG H H 53 9.370 9.370 8.490 0.880 17818 5998 1 12 . 1 1 54 54 PHE N N 54 119.400 119.400 122.888 -3.488 17818 5999 1 12 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.970 -0.730 17818 6000 1 12 . 1 1 54 54 PHE CA C 54 57.300 57.300 56.297 1.003 17818 6001 1 12 . 1 1 54 54 PHE CB C 54 37.700 37.700 39.162 -1.462 17818 6002 1 12 . 1 1 54 54 PHE H H 54 8.770 8.770 9.072 -0.302 17818 6003 1 12 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.253 0.027 17818 6004 1 12 . 1 1 55 55 PRO CA C 55 65.700 65.700 64.919 0.781 17818 6005 1 12 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.561 0.239 17818 6006 1 12 . 1 1 56 56 ASP N N 56 113.600 113.600 116.513 -2.913 17818 6007 1 12 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.505 -0.035 17818 6008 1 12 . 1 1 56 56 ASP CA C 56 53.900 53.900 54.828 -0.928 17818 6009 1 12 . 1 1 56 56 ASP CB C 56 39.800 39.800 40.612 -0.812 17818 6010 1 12 . 1 1 56 56 ASP H H 56 7.780 7.780 8.403 -0.623 17818 6011 1 12 . 1 1 57 57 GLY N N 57 108.700 108.700 108.148 0.552 17818 6012 1 12 . 1 1 57 57 GLY CA C 57 44.900 44.900 44.763 0.138 17818 6013 1 12 . 1 1 57 57 GLY H H 57 8.440 8.440 7.952 0.488 17818 6014 1 12 . 1 1 58 58 LYS N N 58 122.800 122.800 121.822 0.978 17818 6015 1 12 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.407 -0.157 17818 6016 1 12 . 1 1 58 58 LYS CA C 58 57.500 57.500 57.046 0.454 17818 6017 1 12 . 1 1 58 58 LYS CB C 58 32.600 32.600 32.932 -0.333 17818 6018 1 12 . 1 1 58 58 LYS H H 58 8.230 8.230 8.196 0.034 17818 6019 1 12 . 1 1 59 59 GLN N N 59 125.800 125.800 121.085 4.715 17818 6020 1 12 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.700 -0.250 17818 6021 1 12 . 1 1 59 59 GLN CA C 59 56.300 56.300 54.681 1.619 17818 6022 1 12 . 1 1 59 59 GLN CB C 59 30.900 30.900 30.882 0.018 17818 6023 1 12 . 1 1 59 59 GLN H H 59 8.810 8.810 8.240 0.570 17818 6024 1 12 . 1 1 60 60 PHE N N 60 121.200 121.200 116.731 4.469 17818 6025 1 12 . 1 1 60 60 PHE HA H 60 5.100 5.100 5.121 -0.021 17818 6026 1 12 . 1 1 60 60 PHE CA C 60 56.500 56.500 57.710 -1.210 17818 6027 1 12 . 1 1 60 60 PHE CB C 60 40.900 40.900 40.475 0.425 17818 6028 1 12 . 1 1 60 60 PHE H H 60 8.340 8.340 8.563 -0.223 17818 6029 1 12 . 1 1 61 61 ASP N N 61 119.100 119.100 119.907 -0.807 17818 6030 1 12 . 1 1 61 61 ASP CA C 61 54.700 54.700 53.992 0.708 17818 6031 1 12 . 1 1 61 61 ASP CB C 61 44.200 44.200 43.278 0.922 17818 6032 1 12 . 1 1 61 61 ASP H H 61 7.030 7.030 7.434 -0.404 17818 6033 1 12 . 1 1 62 62 SER N N 62 117.400 117.400 119.230 -1.830 17818 6034 1 12 . 1 1 62 62 SER CA C 62 57.000 57.000 57.706 -0.706 17818 6035 1 12 . 1 1 62 62 SER CB C 62 64.800 64.800 63.495 1.305 17818 6036 1 12 . 1 1 62 62 SER H H 62 8.100 8.100 8.440 -0.340 17818 6037 1 12 . 1 1 63 63 SER N N 63 123.600 123.600 120.589 3.011 17818 6038 1 12 . 1 1 63 63 SER HA H 63 4.200 4.200 4.458 -0.258 17818 6039 1 12 . 1 1 63 63 SER CA C 63 61.300 61.300 60.379 0.921 17818 6040 1 12 . 1 1 63 63 SER CB C 63 61.300 61.300 63.367 -2.067 17818 6041 1 12 . 1 1 63 63 SER H H 63 8.070 8.070 8.486 -0.416 17818 6042 1 12 . 1 1 64 64 ARG N N 64 124.000 124.000 119.635 4.365 17818 6043 1 12 . 1 1 64 64 ARG HA H 64 3.620 3.620 4.324 -0.704 17818 6044 1 12 . 1 1 64 64 ARG CA C 64 59.300 59.300 59.064 0.236 17818 6045 1 12 . 1 1 64 64 ARG CB C 64 28.800 28.800 29.860 -1.060 17818 6046 1 12 . 1 1 64 64 ARG H H 64 8.810 8.810 8.625 0.185 17818 6047 1 12 . 1 1 65 65 SER N N 65 114.600 114.600 113.717 0.883 17818 6048 1 12 . 1 1 65 65 SER HA H 65 4.190 4.190 4.381 -0.191 17818 6049 1 12 . 1 1 65 65 SER CA C 65 60.700 60.700 60.274 0.426 17818 6050 1 12 . 1 1 65 65 SER CB C 65 62.700 62.700 62.862 -0.162 17818 6051 1 12 . 1 1 65 65 SER H H 65 7.800 7.800 7.667 0.133 17818 6052 1 12 . 1 1 66 66 ARG N N 66 118.000 118.000 118.666 -0.666 17818 6053 1 12 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.347 0.073 17818 6054 1 12 . 1 1 66 66 ARG CA C 66 57.100 57.100 55.563 1.537 17818 6055 1 12 . 1 1 66 66 ARG CB C 66 31.500 31.500 30.223 1.277 17818 6056 1 12 . 1 1 66 66 ARG H H 66 7.110 7.110 7.257 -0.147 17818 6057 1 12 . 1 1 67 67 GLY N N 67 106.700 106.700 108.207 -1.507 17818 6058 1 12 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.868 -0.068 17818 6059 1 12 . 1 1 67 67 GLY H H 67 7.800 7.800 7.732 0.068 17818 6060 1 12 . 1 1 68 68 LYS N N 68 117.600 117.600 121.176 -3.576 17818 6061 1 12 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.665 0.345 17818 6062 1 12 . 1 1 68 68 LYS CA C 68 53.100 53.100 53.818 -0.718 17818 6063 1 12 . 1 1 68 68 LYS CB C 68 34.900 34.900 33.804 1.096 17818 6064 1 12 . 1 1 68 68 LYS H H 68 7.440 7.440 7.736 -0.296 17818 6065 1 12 . 1 1 69 69 PRO HA H 69 4.060 4.060 5.063 -1.003 17818 6066 1 12 . 1 1 69 69 PRO CA C 69 62.700 62.700 62.029 0.671 17818 6067 1 12 . 1 1 69 69 PRO CB C 69 32.300 32.300 32.778 -0.478 17818 6068 1 12 . 1 1 70 70 PHE N N 70 123.200 123.200 121.267 1.933 17818 6069 1 12 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.913 0.127 17818 6070 1 12 . 1 1 70 70 PHE CA C 70 57.100 57.100 57.149 -0.049 17818 6071 1 12 . 1 1 70 70 PHE CB C 70 42.900 42.900 43.036 -0.136 17818 6072 1 12 . 1 1 70 70 PHE H H 70 9.180 9.180 9.120 0.060 17818 6073 1 12 . 1 1 71 71 GLN N N 71 126.000 126.000 125.692 0.308 17818 6074 1 12 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.361 0.389 17818 6075 1 12 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.270 -0.970 17818 6076 1 12 . 1 1 71 71 GLN CB C 71 32.900 32.900 31.186 1.714 17818 6077 1 12 . 1 1 71 71 GLN H H 71 8.020 8.020 8.021 -0.001 17818 6078 1 12 . 1 1 72 72 PHE N N 72 116.800 116.800 119.605 -2.805 17818 6079 1 12 . 1 1 72 72 PHE HA H 72 4.700 4.700 4.878 -0.178 17818 6080 1 12 . 1 1 72 72 PHE CA C 72 55.500 55.500 56.260 -0.760 17818 6081 1 12 . 1 1 72 72 PHE CB C 72 40.900 40.900 41.359 -0.459 17818 6082 1 12 . 1 1 72 72 PHE H H 72 8.110 8.110 8.856 -0.746 17818 6083 1 12 . 1 1 73 73 THR N N 73 118.800 118.800 118.015 0.785 17818 6084 1 12 . 1 1 73 73 THR HA H 73 3.960 3.960 4.365 -0.405 17818 6085 1 12 . 1 1 73 73 THR CA C 73 62.600 62.600 62.383 0.217 17818 6086 1 12 . 1 1 73 73 THR CB C 73 67.500 67.500 68.497 -0.997 17818 6087 1 12 . 1 1 73 73 THR H H 73 9.080 9.080 8.401 0.679 17818 6088 1 12 . 1 1 74 74 LEU N N 74 132.500 132.500 128.679 3.821 17818 6089 1 12 . 1 1 74 74 LEU HA H 74 4.140 4.140 3.937 0.203 17818 6090 1 12 . 1 1 74 74 LEU CA C 74 56.800 56.800 55.986 0.814 17818 6091 1 12 . 1 1 74 74 LEU CB C 74 41.800 41.800 42.716 -0.916 17818 6092 1 12 . 1 1 74 74 LEU H H 74 8.220 8.220 8.238 -0.018 17818 6093 1 12 . 1 1 75 75 GLY N N 75 118.100 118.100 114.250 3.850 17818 6094 1 12 . 1 1 75 75 GLY CA C 75 46.200 46.200 45.288 0.912 17818 6095 1 12 . 1 1 75 75 GLY H H 75 9.850 9.850 9.185 0.665 17818 6096 1 12 . 1 1 76 76 ALA N N 76 120.600 120.600 121.533 -0.933 17818 6097 1 12 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.761 -0.261 17818 6098 1 12 . 1 1 76 76 ALA CA C 76 51.900 51.900 51.552 0.348 17818 6099 1 12 . 1 1 76 76 ALA CB C 76 20.200 20.200 21.453 -1.253 17818 6100 1 12 . 1 1 76 76 ALA H H 76 7.550 7.550 7.559 -0.009 17818 6101 1 12 . 1 1 77 77 GLY N N 77 110.500 110.500 106.769 3.731 17818 6102 1 12 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.367 1.032 17818 6103 1 12 . 1 1 77 77 GLY H H 77 8.790 8.790 8.722 0.068 17818 6104 1 12 . 1 1 78 78 GLU N N 78 119.400 119.400 117.992 1.408 17818 6105 1 12 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.276 -0.126 17818 6106 1 12 . 1 1 78 78 GLU CA C 78 57.200 57.200 57.787 -0.587 17818 6107 1 12 . 1 1 78 78 GLU CB C 78 30.900 30.900 29.844 1.056 17818 6108 1 12 . 1 1 78 78 GLU H H 78 9.240 9.240 8.630 0.610 17818 6109 1 12 . 1 1 79 79 VAL N N 79 108.600 108.600 113.743 -5.143 17818 6110 1 12 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.419 -0.199 17818 6111 1 12 . 1 1 79 79 VAL CA C 79 57.300 57.300 59.822 -2.522 17818 6112 1 12 . 1 1 79 79 VAL CB C 79 35.400 35.400 34.370 1.030 17818 6113 1 12 . 1 1 79 79 VAL H H 79 6.760 6.760 7.457 -0.697 17818 6114 1 12 . 1 1 80 80 ILE N N 80 111.800 111.800 114.470 -2.670 17818 6115 1 12 . 1 1 80 80 ILE HA H 80 3.800 3.800 4.122 -0.322 17818 6116 1 12 . 1 1 80 80 ILE CA C 80 61.800 61.800 61.061 0.739 17818 6117 1 12 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.464 -0.464 17818 6118 1 12 . 1 1 80 80 ILE H H 80 7.300 7.300 7.618 -0.318 17818 6119 1 12 . 1 1 81 81 LYS N N 81 124.700 124.700 125.845 -1.145 17818 6120 1 12 . 1 1 81 81 LYS HA H 81 4.160 4.160 4.013 0.147 17818 6121 1 12 . 1 1 81 81 LYS CA C 81 59.700 59.700 58.430 1.270 17818 6122 1 12 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.213 1.587 17818 6123 1 12 . 1 1 81 81 LYS H H 81 8.880 8.880 8.800 0.080 17818 6124 1 12 . 1 1 82 82 GLY N N 82 101.700 101.700 107.869 -6.169 17818 6125 1 12 . 1 1 82 82 GLY CA C 82 47.300 47.300 47.044 0.256 17818 6126 1 12 . 1 1 82 82 GLY H H 82 9.580 9.580 7.788 1.792 17818 6127 1 12 . 1 1 83 83 TRP N N 83 119.300 119.300 121.935 -2.635 17818 6128 1 12 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.290 -0.280 17818 6129 1 12 . 1 1 83 83 TRP CA C 83 59.300 59.300 57.054 2.245 17818 6130 1 12 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.417 0.683 17818 6131 1 12 . 1 1 83 83 TRP H H 83 7.450 7.450 7.373 0.077 17818 6132 1 12 . 1 1 84 84 ASP N N 84 120.900 120.900 119.944 0.956 17818 6133 1 12 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.477 -0.477 17818 6134 1 12 . 1 1 84 84 ASP CA C 84 58.200 58.200 57.966 0.234 17818 6135 1 12 . 1 1 84 84 ASP CB C 84 41.000 41.000 40.981 0.019 17818 6136 1 12 . 1 1 84 84 ASP H H 84 7.120 7.120 8.406 -1.286 17818 6137 1 12 . 1 1 85 85 GLN N N 85 114.500 114.500 118.636 -4.136 17818 6138 1 12 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.020 -0.020 17818 6139 1 12 . 1 1 85 85 GLN CA C 85 58.200 58.200 58.417 -0.217 17818 6140 1 12 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.791 0.108 17818 6141 1 12 . 1 1 85 85 GLN H H 85 8.360 8.360 7.948 0.412 17818 6142 1 12 . 1 1 86 86 GLY N N 86 106.300 106.300 107.330 -1.030 17818 6143 1 12 . 1 1 86 86 GLY CA C 86 47.700 47.700 46.753 0.947 17818 6144 1 12 . 1 1 86 86 GLY H H 86 7.960 7.960 7.816 0.144 17818 6145 1 12 . 1 1 87 87 VAL N N 87 125.300 125.300 116.745 8.555 17818 6146 1 12 . 1 1 87 87 VAL HA H 87 3.630 3.630 4.026 -0.396 17818 6147 1 12 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.274 2.126 17818 6148 1 12 . 1 1 87 87 VAL CB C 87 30.300 30.300 31.503 -1.202 17818 6149 1 12 . 1 1 87 87 VAL H H 87 9.090 9.090 8.014 1.076 17818 6150 1 12 . 1 1 88 88 ALA N N 88 116.500 116.500 124.295 -7.795 17818 6151 1 12 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.176 -0.186 17818 6152 1 12 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.495 -0.195 17818 6153 1 12 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.714 -0.114 17818 6154 1 12 . 1 1 88 88 ALA H H 88 6.750 6.750 7.968 -1.218 17818 6155 1 12 . 1 1 89 89 THR N N 89 105.500 105.500 112.097 -6.597 17818 6156 1 12 . 1 1 89 89 THR HA H 89 4.520 4.520 4.421 0.099 17818 6157 1 12 . 1 1 89 89 THR CA C 89 62.300 62.300 62.098 0.202 17818 6158 1 12 . 1 1 89 89 THR CB C 89 71.100 71.100 68.851 2.249 17818 6159 1 12 . 1 1 89 89 THR H H 89 7.400 7.400 8.074 -0.674 17818 6160 1 12 . 1 1 90 90 MET N N 90 122.400 122.400 117.077 5.323 17818 6161 1 12 . 1 1 90 90 MET CA C 90 56.200 56.200 54.170 2.030 17818 6162 1 12 . 1 1 90 90 MET CB C 90 36.800 36.800 36.194 0.606 17818 6163 1 12 . 1 1 90 90 MET H H 90 7.550 7.550 7.357 0.193 17818 6164 1 12 . 1 1 91 91 THR N N 91 105.200 105.200 109.476 -4.276 17818 6165 1 12 . 1 1 91 91 THR HA H 91 5.120 5.120 4.747 0.373 17818 6166 1 12 . 1 1 91 91 THR CA C 91 59.800 59.800 59.822 -0.022 17818 6167 1 12 . 1 1 91 91 THR CB C 91 71.900 71.900 72.220 -0.320 17818 6168 1 12 . 1 1 91 91 THR H H 91 7.350 7.350 8.500 -1.150 17818 6169 1 12 . 1 1 92 92 LEU N N 92 121.200 121.200 121.613 -0.413 17818 6170 1 12 . 1 1 92 92 LEU HA H 92 3.600 3.600 3.929 -0.329 17818 6171 1 12 . 1 1 92 92 LEU CA C 92 58.100 58.100 56.158 1.942 17818 6172 1 12 . 1 1 92 92 LEU CB C 92 43.400 43.400 42.844 0.556 17818 6173 1 12 . 1 1 92 92 LEU H H 92 8.180 8.180 8.172 0.008 17818 6174 1 12 . 1 1 93 93 GLY N N 93 115.800 115.800 112.588 3.212 17818 6175 1 12 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.122 -0.422 17818 6176 1 12 . 1 1 93 93 GLY H H 93 8.490 8.490 9.015 -0.525 17818 6177 1 12 . 1 1 94 94 GLU N N 94 123.700 123.700 121.289 2.411 17818 6178 1 12 . 1 1 94 94 GLU HA H 94 4.290 4.290 4.900 -0.610 17818 6179 1 12 . 1 1 94 94 GLU CA C 94 56.100 56.100 55.086 1.014 17818 6180 1 12 . 1 1 94 94 GLU CB C 94 33.500 33.500 32.907 0.593 17818 6181 1 12 . 1 1 94 94 GLU H H 94 8.650 8.650 7.709 0.941 17818 6182 1 12 . 1 1 95 95 LYS N N 95 124.200 124.200 125.808 -1.608 17818 6183 1 12 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.289 0.271 17818 6184 1 12 . 1 1 95 95 LYS CA C 95 54.600 54.600 55.004 -0.404 17818 6185 1 12 . 1 1 95 95 LYS CB C 95 35.300 35.300 36.448 -1.148 17818 6186 1 12 . 1 1 95 95 LYS H H 95 8.950 8.950 8.641 0.309 17818 6187 1 12 . 1 1 96 96 ALA N N 96 129.100 129.100 128.146 0.954 17818 6188 1 12 . 1 1 96 96 ALA HA H 96 4.990 4.990 5.367 -0.377 17818 6189 1 12 . 1 1 96 96 ALA CA C 96 50.500 50.500 50.669 -0.169 17818 6190 1 12 . 1 1 96 96 ALA CB C 96 23.900 23.900 23.396 0.504 17818 6191 1 12 . 1 1 96 96 ALA H H 96 9.530 9.530 9.310 0.220 17818 6192 1 12 . 1 1 97 97 LEU N N 97 122.200 122.200 121.849 0.351 17818 6193 1 12 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.741 0.439 17818 6194 1 12 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.238 -1.238 17818 6195 1 12 . 1 1 97 97 LEU CB C 97 45.800 45.800 43.275 2.525 17818 6196 1 12 . 1 1 97 97 LEU H H 97 9.100 9.100 8.735 0.365 17818 6197 1 12 . 1 1 98 98 PHE N N 98 125.800 125.800 129.943 -4.143 17818 6198 1 12 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.527 0.173 17818 6199 1 12 . 1 1 98 98 PHE CA C 98 56.500 56.500 55.577 0.923 17818 6200 1 12 . 1 1 98 98 PHE CB C 98 42.300 42.300 42.628 -0.328 17818 6201 1 12 . 1 1 98 98 PHE H H 98 9.940 9.940 9.354 0.586 17818 6202 1 12 . 1 1 99 99 THR N N 99 121.600 121.600 125.251 -3.651 17818 6203 1 12 . 1 1 99 99 THR CA C 99 63.500 63.500 63.255 0.245 17818 6204 1 12 . 1 1 99 99 THR CB C 99 68.600 68.600 68.522 0.077 17818 6205 1 12 . 1 1 99 99 THR H H 99 9.100 9.100 8.686 0.414 17818 6206 1 12 . 1 1 100 100 ILE N N 100 127.400 127.400 129.423 -2.023 17818 6207 1 12 . 1 1 100 100 ILE CA C 100 58.700 58.700 56.742 1.958 17818 6208 1 12 . 1 1 100 100 ILE CB C 100 39.400 39.400 37.381 2.019 17818 6209 1 12 . 1 1 100 100 ILE H H 100 9.880 9.880 9.119 0.761 17818 6210 1 12 . 1 1 101 101 PRO CA C 101 62.200 62.200 62.797 -0.597 17818 6211 1 12 . 1 1 101 101 PRO CB C 101 32.500 32.500 31.674 0.826 17818 6212 1 12 . 1 1 102 102 TYR N N 102 118.100 118.100 122.051 -3.951 17818 6213 1 12 . 1 1 102 102 TYR HA H 102 4.470 4.470 4.002 0.468 17818 6214 1 12 . 1 1 102 102 TYR CA C 102 61.100 61.100 61.032 0.068 17818 6215 1 12 . 1 1 102 102 TYR CB C 102 37.000 37.000 37.188 -0.188 17818 6216 1 12 . 1 1 102 102 TYR H H 102 8.450 8.450 8.301 0.149 17818 6217 1 12 . 1 1 103 103 GLN N N 103 123.800 123.800 117.047 6.753 17818 6218 1 12 . 1 1 103 103 GLN HA H 103 4.050 4.050 3.877 0.173 17818 6219 1 12 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.367 2.133 17818 6220 1 12 . 1 1 103 103 GLN CB C 103 27.300 27.300 27.517 -0.217 17818 6221 1 12 . 1 1 103 103 GLN H H 103 9.080 9.080 7.583 1.497 17818 6222 1 12 . 1 1 104 104 LEU N N 104 116.800 116.800 119.335 -2.535 17818 6223 1 12 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.450 0.070 17818 6224 1 12 . 1 1 104 104 LEU CA C 104 53.100 53.100 53.981 -0.881 17818 6225 1 12 . 1 1 104 104 LEU CB C 104 43.400 43.400 41.831 1.569 17818 6226 1 12 . 1 1 104 104 LEU H H 104 7.790 7.790 7.499 0.291 17818 6227 1 12 . 1 1 105 105 ALA N N 105 125.400 125.400 120.713 4.687 17818 6228 1 12 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.407 0.063 17818 6229 1 12 . 1 1 105 105 ALA CA C 105 51.000 51.000 51.598 -0.598 17818 6230 1 12 . 1 1 105 105 ALA CB C 105 18.900 18.900 20.137 -1.237 17818 6231 1 12 . 1 1 105 105 ALA H H 105 7.780 7.780 7.455 0.325 17818 6232 1 12 . 1 1 106 106 TYR N N 106 122.000 122.000 117.297 4.703 17818 6233 1 12 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.389 0.221 17818 6234 1 12 . 1 1 106 106 TYR CA C 106 59.300 59.300 58.823 0.477 17818 6235 1 12 . 1 1 106 106 TYR CB C 106 37.400 37.400 38.000 -0.600 17818 6236 1 12 . 1 1 106 106 TYR H H 106 9.430 9.430 8.323 1.107 17818 6237 1 12 . 1 1 107 107 GLY N N 107 105.500 105.500 107.837 -2.337 17818 6238 1 12 . 1 1 107 107 GLY CA C 107 46.500 46.500 45.596 0.904 17818 6239 1 12 . 1 1 107 107 GLY H H 107 8.490 8.490 8.098 0.392 17818 6240 1 12 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.386 -0.876 17818 6241 1 12 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.859 -0.359 17818 6242 1 12 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.765 -0.165 17818 6243 1 12 . 1 1 109 109 ARG N N 109 115.900 115.900 117.954 -2.054 17818 6244 1 12 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.265 -0.085 17818 6245 1 12 . 1 1 109 109 ARG CA C 109 57.400 57.400 54.766 2.634 17818 6246 1 12 . 1 1 109 109 ARG CB C 109 30.700 30.700 31.404 -0.704 17818 6247 1 12 . 1 1 109 109 ARG H H 109 8.840 8.840 7.596 1.244 17818 6248 1 12 . 1 1 110 110 GLY N N 110 130.700 130.700 106.628 24.072 17818 6249 1 12 . 1 1 110 110 GLY CA C 110 44.800 44.800 45.127 -0.327 17818 6250 1 12 . 1 1 110 110 GLY H H 110 7.140 7.140 7.871 -0.731 17818 6251 1 12 . 1 1 111 111 TYR N N 111 119.700 119.700 118.822 0.878 17818 6252 1 12 . 1 1 111 111 TYR CA C 111 54.500 54.500 58.937 -4.437 17818 6253 1 12 . 1 1 111 111 TYR CB C 111 38.600 38.600 38.181 0.419 17818 6254 1 12 . 1 1 111 111 TYR H H 111 8.570 8.570 8.170 0.400 17818 6255 1 12 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.458 -0.658 17818 6256 1 12 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.734 2.566 17818 6257 1 12 . 1 1 114 114 VAL N N 114 122.900 122.900 117.116 5.784 17818 6258 1 12 . 1 1 114 114 VAL HA H 114 3.850 3.850 3.925 -0.075 17818 6259 1 12 . 1 1 114 114 VAL CA C 114 65.600 65.600 63.536 2.064 17818 6260 1 12 . 1 1 114 114 VAL CB C 114 33.000 33.000 32.161 0.839 17818 6261 1 12 . 1 1 114 114 VAL H H 114 7.870 7.870 7.831 0.039 17818 6262 1 12 . 1 1 115 115 ILE N N 115 118.100 118.100 120.922 -2.822 17818 6263 1 12 . 1 1 115 115 ILE CA C 115 56.300 56.300 56.914 -0.614 17818 6264 1 12 . 1 1 115 115 ILE CB C 115 37.700 37.700 37.603 0.097 17818 6265 1 12 . 1 1 115 115 ILE H H 115 7.550 7.550 7.713 -0.163 17818 6266 1 12 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.291 -0.671 17818 6267 1 12 . 1 1 117 117 PRO CA C 117 63.400 63.400 63.349 0.051 17818 6268 1 12 . 1 1 117 117 PRO CB C 117 32.800 32.800 31.926 0.874 17818 6269 1 12 . 1 1 118 118 LYS N N 118 115.100 115.100 117.638 -2.538 17818 6270 1 12 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.395 -0.815 17818 6271 1 12 . 1 1 118 118 LYS CA C 118 57.900 57.900 56.782 1.118 17818 6272 1 12 . 1 1 118 118 LYS CB C 118 29.700 29.700 29.603 0.097 17818 6273 1 12 . 1 1 118 118 LYS H H 118 7.330 7.330 8.360 -1.030 17818 6274 1 12 . 1 1 119 119 ALA N N 119 121.900 121.900 122.091 -0.191 17818 6275 1 12 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.485 -0.035 17818 6276 1 12 . 1 1 119 119 ALA CA C 119 52.700 52.700 51.319 1.381 17818 6277 1 12 . 1 1 119 119 ALA CB C 119 20.100 20.100 20.185 -0.085 17818 6278 1 12 . 1 1 119 119 ALA H H 119 7.900 7.900 7.958 -0.058 17818 6279 1 12 . 1 1 120 120 THR N N 120 121.800 121.800 120.703 1.097 17818 6280 1 12 . 1 1 120 120 THR CA C 120 63.100 63.100 63.535 -0.435 17818 6281 1 12 . 1 1 120 120 THR CB C 120 69.800 69.800 69.305 0.495 17818 6282 1 12 . 1 1 120 120 THR H H 120 8.170 8.170 8.491 -0.321 17818 6283 1 12 . 1 1 121 121 LEU N N 121 124.200 124.200 127.973 -3.773 17818 6284 1 12 . 1 1 121 121 LEU CA C 121 53.100 53.100 52.740 0.360 17818 6285 1 12 . 1 1 121 121 LEU CB C 121 46.300 46.300 46.175 0.125 17818 6286 1 12 . 1 1 121 121 LEU H H 121 8.640 8.640 8.992 -0.352 17818 6287 1 12 . 1 1 122 122 VAL N N 122 122.200 122.200 123.358 -1.158 17818 6288 1 12 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.311 0.980 17818 6289 1 12 . 1 1 122 122 VAL CA C 122 60.700 60.700 61.999 -1.299 17818 6290 1 12 . 1 1 122 122 VAL CB C 122 33.300 33.300 32.582 0.718 17818 6291 1 12 . 1 1 122 122 VAL H H 122 8.860 8.860 8.548 0.312 17818 6292 1 12 . 1 1 123 123 PHE N N 123 122.900 122.900 127.034 -4.134 17818 6293 1 12 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.407 -0.007 17818 6294 1 12 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.172 -0.772 17818 6295 1 12 . 1 1 123 123 PHE CB C 123 44.000 44.000 42.531 1.469 17818 6296 1 12 . 1 1 123 123 PHE H H 123 9.620 9.620 9.494 0.126 17818 6297 1 12 . 1 1 124 124 GLU N N 124 125.500 125.500 125.276 0.224 17818 6298 1 12 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.811 1.089 17818 6299 1 12 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.504 -0.904 17818 6300 1 12 . 1 1 124 124 GLU CB C 124 31.800 31.800 30.109 1.691 17818 6301 1 12 . 1 1 124 124 GLU H H 124 9.180 9.180 8.815 0.365 17818 6302 1 12 . 1 1 125 125 VAL N N 125 128.100 128.100 121.026 7.074 17818 6303 1 12 . 1 1 125 125 VAL CA C 125 61.300 61.300 59.680 1.620 17818 6304 1 12 . 1 1 125 125 VAL CB C 125 35.800 35.800 35.012 0.788 17818 6305 1 12 . 1 1 125 125 VAL H H 125 9.600 9.600 9.096 0.504 17818 6306 1 12 . 1 1 126 126 GLU N N 126 128.500 128.500 124.345 4.155 17818 6307 1 12 . 1 1 126 126 GLU HA H 126 5.630 5.630 5.186 0.444 17818 6308 1 12 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.863 -1.363 17818 6309 1 12 . 1 1 126 126 GLU CB C 126 34.000 34.000 34.417 -0.417 17818 6310 1 12 . 1 1 126 126 GLU H H 126 9.420 9.420 8.868 0.552 17818 6311 1 12 . 1 1 127 127 LEU N N 127 127.900 127.900 127.437 0.463 17818 6312 1 12 . 1 1 127 127 LEU CA C 127 55.100 55.100 54.068 1.032 17818 6313 1 12 . 1 1 127 127 LEU CB C 127 41.400 41.400 42.629 -1.228 17818 6314 1 12 . 1 1 127 127 LEU H H 127 8.720 8.720 9.041 -0.321 17818 6315 1 12 . 1 1 128 128 LEU N N 128 128.700 128.700 128.908 -0.208 17818 6316 1 12 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.603 -0.203 17818 6317 1 12 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.223 0.677 17818 6318 1 12 . 1 1 128 128 LEU CB C 128 43.700 43.700 42.410 1.290 17818 6319 1 12 . 1 1 128 128 LEU H H 128 8.690 8.690 8.909 -0.219 17818 6320 1 12 . 1 1 129 129 ALA N N 129 118.600 118.600 118.109 0.491 17818 6321 1 12 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.658 -0.198 17818 6322 1 12 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.382 1.418 17818 6323 1 12 . 1 1 129 129 ALA CB C 129 21.100 21.100 22.574 -1.474 17818 6324 1 12 . 1 1 129 129 ALA H H 129 7.810 7.810 7.883 -0.073 17818 6325 1 13 . 1 1 8 8 HIS CA C 8 54.700 54.700 56.379 -1.679 17818 6326 1 13 . 1 1 8 8 HIS CB C 8 31.200 31.200 30.828 0.372 17818 6327 1 13 . 1 1 9 9 MET N N 9 120.000 120.000 125.323 -5.323 17818 6328 1 13 . 1 1 9 9 MET HA H 9 4.280 4.280 4.559 -0.279 17818 6329 1 13 . 1 1 9 9 MET CA C 9 55.500 55.500 55.433 0.067 17818 6330 1 13 . 1 1 9 9 MET CB C 9 32.500 32.500 33.598 -1.098 17818 6331 1 13 . 1 1 9 9 MET H H 9 8.110 8.110 8.423 -0.313 17818 6332 1 13 . 1 1 10 10 GLY N N 10 109.800 109.800 112.343 -2.543 17818 6333 1 13 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.349 0.951 17818 6334 1 13 . 1 1 10 10 GLY H H 10 8.440 8.440 8.467 -0.027 17818 6335 1 13 . 1 1 11 11 THR N N 11 113.600 113.600 111.893 1.707 17818 6336 1 13 . 1 1 11 11 THR HA H 11 4.330 4.330 5.130 -0.800 17818 6337 1 13 . 1 1 11 11 THR CA C 11 62.000 62.000 61.117 0.883 17818 6338 1 13 . 1 1 11 11 THR CB C 11 69.900 69.900 71.489 -1.589 17818 6339 1 13 . 1 1 11 11 THR H H 11 8.070 8.070 8.503 -0.433 17818 6340 1 13 . 1 1 12 12 LEU N N 12 124.200 124.200 121.801 2.399 17818 6341 1 13 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.657 -0.337 17818 6342 1 13 . 1 1 12 12 LEU CA C 12 55.500 55.500 53.761 1.739 17818 6343 1 13 . 1 1 12 12 LEU CB C 12 42.100 42.100 45.068 -2.968 17818 6344 1 13 . 1 1 12 12 LEU H H 12 8.380 8.380 8.320 0.060 17818 6345 1 13 . 1 1 13 13 GLU N N 13 121.600 121.600 122.561 -0.961 17818 6346 1 13 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.427 -0.227 17818 6347 1 13 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.804 1.096 17818 6348 1 13 . 1 1 13 13 GLU CB C 13 30.000 30.000 27.835 2.165 17818 6349 1 13 . 1 1 13 13 GLU H H 13 8.430 8.430 8.664 -0.234 17818 6350 1 13 . 1 1 14 14 ALA N N 14 124.400 124.400 126.506 -2.106 17818 6351 1 13 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.459 -0.189 17818 6352 1 13 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.218 0.482 17818 6353 1 13 . 1 1 14 14 ALA CB C 14 19.100 19.100 19.606 -0.506 17818 6354 1 13 . 1 1 14 14 ALA H H 14 8.290 8.290 8.062 0.228 17818 6355 1 13 . 1 1 15 15 GLN N N 15 119.100 119.100 122.920 -3.820 17818 6356 1 13 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.411 -0.021 17818 6357 1 13 . 1 1 15 15 GLN CA C 15 56.000 56.000 56.176 -0.176 17818 6358 1 13 . 1 1 15 15 GLN CB C 15 29.400 29.400 30.276 -0.876 17818 6359 1 13 . 1 1 15 15 GLN H H 15 8.370 8.370 8.468 -0.098 17818 6360 1 13 . 1 1 16 16 THR N N 16 114.900 114.900 118.493 -3.593 17818 6361 1 13 . 1 1 16 16 THR CA C 16 62.100 62.100 62.259 -0.159 17818 6362 1 13 . 1 1 16 16 THR CB C 16 69.800 69.800 70.797 -0.997 17818 6363 1 13 . 1 1 16 16 THR H H 16 8.200 8.200 8.369 -0.169 17818 6364 1 13 . 1 1 17 17 GLN N N 17 122.200 122.200 127.868 -5.668 17818 6365 1 13 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.410 0.020 17818 6366 1 13 . 1 1 17 17 GLN CA C 17 55.600 55.600 55.242 0.358 17818 6367 1 13 . 1 1 17 17 GLN CB C 17 29.700 29.700 28.133 1.567 17818 6368 1 13 . 1 1 17 17 GLN H H 17 8.420 8.420 8.628 -0.208 17818 6369 1 13 . 1 1 18 18 GLY N N 18 110.100 110.100 112.660 -2.560 17818 6370 1 13 . 1 1 18 18 GLY CA C 18 44.600 44.600 43.603 0.997 17818 6371 1 13 . 1 1 18 18 GLY H H 18 8.360 8.360 7.714 0.646 17818 6372 1 13 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.144 0.296 17818 6373 1 13 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.943 -0.343 17818 6374 1 13 . 1 1 19 19 PRO CB C 19 32.000 32.000 30.962 1.038 17818 6375 1 13 . 1 1 20 20 GLY N N 20 109.400 109.400 111.972 -2.572 17818 6376 1 13 . 1 1 20 20 GLY CA C 20 45.300 45.300 46.011 -0.711 17818 6377 1 13 . 1 1 20 20 GLY H H 20 8.630 8.630 8.376 0.254 17818 6378 1 13 . 1 1 21 21 SER N N 21 115.400 115.400 118.971 -3.571 17818 6379 1 13 . 1 1 21 21 SER CA C 21 63.800 63.800 57.395 6.405 17818 6380 1 13 . 1 1 21 21 SER CB C 21 69.800 69.800 62.752 7.048 17818 6381 1 13 . 1 1 21 21 SER H H 21 4.180 4.180 7.993 -3.813 17818 6382 1 13 . 1 1 22 22 MET N N 22 121.900 121.900 124.371 -2.471 17818 6383 1 13 . 1 1 22 22 MET CA C 22 55.500 55.500 56.204 -0.704 17818 6384 1 13 . 1 1 22 22 MET CB C 22 32.800 32.800 32.244 0.556 17818 6385 1 13 . 1 1 22 22 MET H H 22 8.440 8.440 8.582 -0.142 17818 6386 1 13 . 1 1 23 23 SER N N 23 116.600 116.600 120.126 -3.526 17818 6387 1 13 . 1 1 23 23 SER HA H 23 4.400 4.400 4.783 -0.383 17818 6388 1 13 . 1 1 23 23 SER CA C 23 58.300 58.300 58.107 0.193 17818 6389 1 13 . 1 1 23 23 SER CB C 23 63.700 63.700 65.208 -1.508 17818 6390 1 13 . 1 1 23 23 SER H H 23 8.290 8.290 8.302 -0.012 17818 6391 1 13 . 1 1 24 24 ALA N N 24 125.700 125.700 124.959 0.741 17818 6392 1 13 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.219 0.071 17818 6393 1 13 . 1 1 24 24 ALA CA C 24 52.100 52.100 52.010 0.090 17818 6394 1 13 . 1 1 24 24 ALA CB C 24 19.300 19.300 17.608 1.692 17818 6395 1 13 . 1 1 24 24 ALA H H 24 8.200 8.200 8.466 -0.266 17818 6396 1 13 . 1 1 25 25 GLN N N 25 118.300 118.300 121.230 -2.930 17818 6397 1 13 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.458 0.052 17818 6398 1 13 . 1 1 25 25 GLN CA C 25 54.200 54.200 54.758 -0.558 17818 6399 1 13 . 1 1 25 25 GLN CB C 25 31.300 31.300 30.158 1.142 17818 6400 1 13 . 1 1 25 25 GLN H H 25 8.280 8.280 7.977 0.303 17818 6401 1 13 . 1 1 26 26 LEU N N 26 122.100 122.100 126.688 -4.588 17818 6402 1 13 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.533 -0.073 17818 6403 1 13 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.205 1.095 17818 6404 1 13 . 1 1 26 26 LEU CB C 26 43.500 43.500 44.289 -0.789 17818 6405 1 13 . 1 1 26 26 LEU H H 26 8.480 8.480 8.439 0.041 17818 6406 1 13 . 1 1 27 27 GLU N N 27 125.300 125.300 126.419 -1.119 17818 6407 1 13 . 1 1 27 27 GLU CA C 27 55.300 55.300 54.901 0.399 17818 6408 1 13 . 1 1 27 27 GLU CB C 27 32.400 32.400 33.154 -0.753 17818 6409 1 13 . 1 1 27 27 GLU H H 27 8.240 8.240 8.031 0.209 17818 6410 1 13 . 1 1 28 28 LYS N N 28 125.000 125.000 121.248 3.752 17818 6411 1 13 . 1 1 28 28 LYS HA H 28 4.610 4.610 4.820 -0.210 17818 6412 1 13 . 1 1 28 28 LYS CA C 28 54.500 54.500 55.213 -0.713 17818 6413 1 13 . 1 1 28 28 LYS CB C 28 35.700 35.700 33.882 1.818 17818 6414 1 13 . 1 1 28 28 LYS H H 28 8.810 8.810 8.454 0.356 17818 6415 1 13 . 1 1 29 29 LYS N N 29 128.100 128.100 126.591 1.509 17818 6416 1 13 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.590 0.440 17818 6417 1 13 . 1 1 29 29 LYS CA C 29 55.000 55.000 55.182 -0.182 17818 6418 1 13 . 1 1 29 29 LYS CB C 29 36.200 36.200 33.809 2.392 17818 6419 1 13 . 1 1 29 29 LYS H H 29 8.850 8.850 8.874 -0.024 17818 6420 1 13 . 1 1 30 30 VAL N N 30 127.200 127.200 126.651 0.549 17818 6421 1 13 . 1 1 30 30 VAL HA H 30 3.660 3.660 3.992 -0.332 17818 6422 1 13 . 1 1 30 30 VAL CA C 30 64.800 64.800 62.977 1.823 17818 6423 1 13 . 1 1 30 30 VAL CB C 30 31.600 31.600 32.218 -0.618 17818 6424 1 13 . 1 1 30 30 VAL H H 30 9.170 9.170 8.814 0.356 17818 6425 1 13 . 1 1 31 31 LEU N N 31 129.800 129.800 129.407 0.393 17818 6426 1 13 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.571 -0.131 17818 6427 1 13 . 1 1 31 31 LEU CA C 31 56.000 56.000 55.895 0.105 17818 6428 1 13 . 1 1 31 31 LEU CB C 31 41.800 41.800 42.653 -0.853 17818 6429 1 13 . 1 1 31 31 LEU H H 31 9.020 9.020 8.832 0.188 17818 6430 1 13 . 1 1 32 32 THR N N 32 115.700 115.700 115.713 -0.013 17818 6431 1 13 . 1 1 32 32 THR CA C 32 59.300 59.300 60.237 -0.937 17818 6432 1 13 . 1 1 32 32 THR CB C 32 72.500 72.500 70.740 1.760 17818 6433 1 13 . 1 1 32 32 THR H H 32 8.220 8.220 8.209 0.011 17818 6434 1 13 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.663 -0.373 17818 6435 1 13 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.255 0.745 17818 6436 1 13 . 1 1 33 33 PRO CB C 33 32.400 32.400 32.163 0.237 17818 6437 1 13 . 1 1 34 34 GLY N N 34 109.400 109.400 111.316 -1.916 17818 6438 1 13 . 1 1 34 34 GLY CA C 34 44.200 44.200 43.850 0.350 17818 6439 1 13 . 1 1 34 34 GLY H H 34 9.010 9.010 8.630 0.380 17818 6440 1 13 . 1 1 35 35 ASP N N 35 119.400 119.400 119.340 0.060 17818 6441 1 13 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.419 -0.089 17818 6442 1 13 . 1 1 35 35 ASP CA C 35 54.700 54.700 57.154 -2.454 17818 6443 1 13 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.264 -1.864 17818 6444 1 13 . 1 1 35 35 ASP H H 35 8.370 8.370 8.269 0.101 17818 6445 1 13 . 1 1 36 36 GLY N N 36 107.900 107.900 108.471 -0.571 17818 6446 1 13 . 1 1 36 36 GLY CA C 36 46.000 46.000 47.015 -1.015 17818 6447 1 13 . 1 1 36 36 GLY H H 36 8.750 8.750 8.085 0.665 17818 6448 1 13 . 1 1 37 37 VAL N N 37 116.200 116.200 117.022 -0.822 17818 6449 1 13 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.191 0.309 17818 6450 1 13 . 1 1 37 37 VAL CA C 37 62.500 62.500 64.037 -1.537 17818 6451 1 13 . 1 1 37 37 VAL CB C 37 35.900 35.900 32.403 3.497 17818 6452 1 13 . 1 1 37 37 VAL H H 37 8.590 8.590 7.574 1.016 17818 6453 1 13 . 1 1 38 38 THR N N 38 126.400 126.400 114.391 12.009 17818 6454 1 13 . 1 1 38 38 THR HA H 38 4.210 4.210 4.301 -0.091 17818 6455 1 13 . 1 1 38 38 THR CA C 38 63.300 63.300 61.780 1.520 17818 6456 1 13 . 1 1 38 38 THR CB C 38 65.800 65.800 68.343 -2.543 17818 6457 1 13 . 1 1 38 38 THR H H 38 10.650 10.650 7.833 2.817 17818 6458 1 13 . 1 1 39 39 LYS N N 39 127.000 127.000 126.065 0.935 17818 6459 1 13 . 1 1 39 39 LYS CA C 39 53.400 53.400 53.413 -0.013 17818 6460 1 13 . 1 1 39 39 LYS CB C 39 33.200 33.200 32.241 0.959 17818 6461 1 13 . 1 1 39 39 LYS H H 39 8.390 8.390 8.292 0.098 17818 6462 1 13 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.543 -0.343 17818 6463 1 13 . 1 1 40 40 PRO CB C 40 33.300 33.300 31.698 1.602 17818 6464 1 13 . 1 1 41 41 GLN N N 41 120.900 120.900 123.957 -3.057 17818 6465 1 13 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.389 0.071 17818 6466 1 13 . 1 1 41 41 GLN CA C 41 53.700 53.700 54.906 -1.206 17818 6467 1 13 . 1 1 41 41 GLN CB C 41 31.500 31.500 30.443 1.057 17818 6468 1 13 . 1 1 41 41 GLN H H 41 8.750 8.750 8.309 0.441 17818 6469 1 13 . 1 1 42 42 ALA N N 42 125.700 125.700 124.391 1.309 17818 6470 1 13 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.173 -0.393 17818 6471 1 13 . 1 1 42 42 ALA CA C 42 53.400 53.400 52.308 1.092 17818 6472 1 13 . 1 1 42 42 ALA CB C 42 17.800 17.800 19.148 -1.348 17818 6473 1 13 . 1 1 42 42 ALA H H 42 8.550 8.550 8.211 0.339 17818 6474 1 13 . 1 1 43 43 GLY N N 43 109.700 109.700 107.577 2.123 17818 6475 1 13 . 1 1 43 43 GLY CA C 43 45.200 45.200 45.397 -0.197 17818 6476 1 13 . 1 1 43 43 GLY H H 43 8.970 8.970 8.671 0.299 17818 6477 1 13 . 1 1 44 44 LYS N N 44 120.300 120.300 118.255 2.045 17818 6478 1 13 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.557 0.113 17818 6479 1 13 . 1 1 44 44 LYS CA C 44 53.800 53.800 53.677 0.123 17818 6480 1 13 . 1 1 44 44 LYS CB C 44 34.100 34.100 35.641 -1.541 17818 6481 1 13 . 1 1 44 44 LYS H H 44 7.920 7.920 7.535 0.385 17818 6482 1 13 . 1 1 45 45 LYS N N 45 120.800 120.800 123.142 -2.342 17818 6483 1 13 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.291 0.229 17818 6484 1 13 . 1 1 45 45 LYS CA C 45 56.300 56.300 56.240 0.060 17818 6485 1 13 . 1 1 45 45 LYS CB C 45 32.900 32.900 32.391 0.509 17818 6486 1 13 . 1 1 45 45 LYS H H 45 8.340 8.340 8.421 -0.081 17818 6487 1 13 . 1 1 46 46 VAL N N 46 117.600 117.600 123.474 -5.874 17818 6488 1 13 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.444 0.116 17818 6489 1 13 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.160 -0.260 17818 6490 1 13 . 1 1 46 46 VAL CB C 46 33.900 33.900 34.837 -0.937 17818 6491 1 13 . 1 1 46 46 VAL H H 46 8.560 8.560 8.752 -0.192 17818 6492 1 13 . 1 1 47 47 THR N N 47 115.600 115.600 121.568 -5.968 17818 6493 1 13 . 1 1 47 47 THR HA H 47 5.100 5.100 5.020 0.080 17818 6494 1 13 . 1 1 47 47 THR CA C 47 61.600 61.600 62.082 -0.482 17818 6495 1 13 . 1 1 47 47 THR CB C 47 69.800 69.800 68.843 0.957 17818 6496 1 13 . 1 1 47 47 THR H H 47 8.130 8.130 8.604 -0.474 17818 6497 1 13 . 1 1 48 48 VAL N N 48 118.100 118.100 121.974 -3.874 17818 6498 1 13 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.240 0.550 17818 6499 1 13 . 1 1 48 48 VAL CA C 48 58.000 58.000 59.065 -1.065 17818 6500 1 13 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.289 0.211 17818 6501 1 13 . 1 1 48 48 VAL H H 48 9.740 9.740 9.145 0.595 17818 6502 1 13 . 1 1 49 49 HIS N N 49 119.000 119.000 116.983 2.017 17818 6503 1 13 . 1 1 49 49 HIS HA H 49 5.810 5.810 4.808 1.002 17818 6504 1 13 . 1 1 49 49 HIS CA C 49 54.600 54.600 54.278 0.322 17818 6505 1 13 . 1 1 49 49 HIS CB C 49 35.600 35.600 34.509 1.091 17818 6506 1 13 . 1 1 49 49 HIS H H 49 8.630 8.630 8.447 0.183 17818 6507 1 13 . 1 1 50 50 TYR N N 50 116.800 116.800 119.578 -2.778 17818 6508 1 13 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.356 0.874 17818 6509 1 13 . 1 1 50 50 TYR CA C 50 56.000 56.000 56.358 -0.358 17818 6510 1 13 . 1 1 50 50 TYR CB C 50 43.500 43.500 41.023 2.477 17818 6511 1 13 . 1 1 50 50 TYR H H 50 9.870 9.870 8.650 1.220 17818 6512 1 13 . 1 1 51 51 ASP N N 51 120.400 120.400 120.243 0.157 17818 6513 1 13 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.875 0.075 17818 6514 1 13 . 1 1 51 51 ASP CA C 51 54.400 54.400 52.193 2.207 17818 6515 1 13 . 1 1 51 51 ASP CB C 51 44.900 44.900 45.038 -0.137 17818 6516 1 13 . 1 1 51 51 ASP H H 51 8.840 8.840 8.608 0.232 17818 6517 1 13 . 1 1 52 52 GLY N N 52 112.500 112.500 109.467 3.033 17818 6518 1 13 . 1 1 52 52 GLY CA C 52 45.300 45.300 44.004 1.296 17818 6519 1 13 . 1 1 52 52 GLY H H 52 9.130 9.130 8.438 0.692 17818 6520 1 13 . 1 1 53 53 ARG N N 53 125.200 125.200 122.336 2.864 17818 6521 1 13 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.634 0.396 17818 6522 1 13 . 1 1 53 53 ARG CA C 53 53.900 53.900 55.076 -1.176 17818 6523 1 13 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.455 0.345 17818 6524 1 13 . 1 1 53 53 ARG H H 53 9.370 9.370 8.445 0.925 17818 6525 1 13 . 1 1 54 54 PHE N N 54 119.400 119.400 121.825 -2.425 17818 6526 1 13 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.926 -0.686 17818 6527 1 13 . 1 1 54 54 PHE CA C 54 57.300 57.300 56.452 0.848 17818 6528 1 13 . 1 1 54 54 PHE CB C 54 37.700 37.700 38.826 -1.126 17818 6529 1 13 . 1 1 54 54 PHE H H 54 8.770 8.770 9.155 -0.385 17818 6530 1 13 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.234 0.046 17818 6531 1 13 . 1 1 55 55 PRO CA C 55 65.700 65.700 65.053 0.647 17818 6532 1 13 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.305 0.495 17818 6533 1 13 . 1 1 56 56 ASP N N 56 113.600 113.600 116.190 -2.590 17818 6534 1 13 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.554 -0.084 17818 6535 1 13 . 1 1 56 56 ASP CA C 56 53.900 53.900 53.620 0.280 17818 6536 1 13 . 1 1 56 56 ASP CB C 56 39.800 39.800 40.012 -0.212 17818 6537 1 13 . 1 1 56 56 ASP H H 56 7.780 7.780 7.989 -0.209 17818 6538 1 13 . 1 1 57 57 GLY N N 57 108.700 108.700 109.618 -0.918 17818 6539 1 13 . 1 1 57 57 GLY CA C 57 44.900 44.900 45.150 -0.249 17818 6540 1 13 . 1 1 57 57 GLY H H 57 8.440 8.440 8.228 0.212 17818 6541 1 13 . 1 1 58 58 LYS N N 58 122.800 122.800 121.067 1.733 17818 6542 1 13 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.691 -0.441 17818 6543 1 13 . 1 1 58 58 LYS CA C 58 57.500 57.500 55.043 2.457 17818 6544 1 13 . 1 1 58 58 LYS CB C 58 32.600 32.600 34.600 -2.000 17818 6545 1 13 . 1 1 58 58 LYS H H 58 8.230 8.230 7.811 0.419 17818 6546 1 13 . 1 1 59 59 GLN N N 59 125.800 125.800 122.069 3.731 17818 6547 1 13 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.747 -0.297 17818 6548 1 13 . 1 1 59 59 GLN CA C 59 56.300 56.300 55.318 0.982 17818 6549 1 13 . 1 1 59 59 GLN CB C 59 30.900 30.900 31.161 -0.261 17818 6550 1 13 . 1 1 59 59 GLN H H 59 8.810 8.810 8.362 0.448 17818 6551 1 13 . 1 1 60 60 PHE N N 60 121.200 121.200 118.034 3.166 17818 6552 1 13 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.595 0.505 17818 6553 1 13 . 1 1 60 60 PHE CA C 60 56.500 56.500 59.244 -2.744 17818 6554 1 13 . 1 1 60 60 PHE CB C 60 40.900 40.900 39.461 1.439 17818 6555 1 13 . 1 1 60 60 PHE H H 60 8.340 8.340 8.854 -0.514 17818 6556 1 13 . 1 1 61 61 ASP N N 61 119.100 119.100 116.485 2.615 17818 6557 1 13 . 1 1 61 61 ASP CA C 61 54.700 54.700 53.719 0.981 17818 6558 1 13 . 1 1 61 61 ASP CB C 61 44.200 44.200 42.852 1.348 17818 6559 1 13 . 1 1 61 61 ASP H H 61 7.030 7.030 6.629 0.401 17818 6560 1 13 . 1 1 62 62 SER N N 62 117.400 117.400 117.506 -0.106 17818 6561 1 13 . 1 1 62 62 SER CA C 62 57.000 57.000 57.526 -0.526 17818 6562 1 13 . 1 1 62 62 SER CB C 62 64.800 64.800 63.495 1.305 17818 6563 1 13 . 1 1 62 62 SER H H 62 8.100 8.100 8.401 -0.301 17818 6564 1 13 . 1 1 63 63 SER N N 63 123.600 123.600 124.627 -1.027 17818 6565 1 13 . 1 1 63 63 SER HA H 63 4.200 4.200 4.501 -0.301 17818 6566 1 13 . 1 1 63 63 SER CA C 63 61.300 61.300 60.656 0.644 17818 6567 1 13 . 1 1 63 63 SER CB C 63 61.300 61.300 63.652 -2.352 17818 6568 1 13 . 1 1 63 63 SER H H 63 8.070 8.070 9.146 -1.076 17818 6569 1 13 . 1 1 64 64 ARG N N 64 124.000 124.000 121.020 2.980 17818 6570 1 13 . 1 1 64 64 ARG HA H 64 3.620 3.620 3.873 -0.253 17818 6571 1 13 . 1 1 64 64 ARG CA C 64 59.300 59.300 58.072 1.228 17818 6572 1 13 . 1 1 64 64 ARG CB C 64 28.800 28.800 28.731 0.069 17818 6573 1 13 . 1 1 64 64 ARG H H 64 8.810 8.810 8.391 0.419 17818 6574 1 13 . 1 1 65 65 SER N N 65 114.600 114.600 114.949 -0.349 17818 6575 1 13 . 1 1 65 65 SER HA H 65 4.190 4.190 4.372 -0.182 17818 6576 1 13 . 1 1 65 65 SER CA C 65 60.700 60.700 59.975 0.725 17818 6577 1 13 . 1 1 65 65 SER CB C 65 62.700 62.700 62.665 0.035 17818 6578 1 13 . 1 1 65 65 SER H H 65 7.800 7.800 7.855 -0.055 17818 6579 1 13 . 1 1 66 66 ARG N N 66 118.000 118.000 120.657 -2.657 17818 6580 1 13 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.307 0.113 17818 6581 1 13 . 1 1 66 66 ARG CA C 66 57.100 57.100 55.171 1.929 17818 6582 1 13 . 1 1 66 66 ARG CB C 66 31.500 31.500 29.311 2.189 17818 6583 1 13 . 1 1 66 66 ARG H H 66 7.110 7.110 7.328 -0.218 17818 6584 1 13 . 1 1 67 67 GLY N N 67 106.700 106.700 107.123 -0.423 17818 6585 1 13 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.534 0.266 17818 6586 1 13 . 1 1 67 67 GLY H H 67 7.800 7.800 7.546 0.254 17818 6587 1 13 . 1 1 68 68 LYS N N 68 117.600 117.600 121.701 -4.101 17818 6588 1 13 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.794 0.216 17818 6589 1 13 . 1 1 68 68 LYS CA C 68 53.100 53.100 53.170 -0.070 17818 6590 1 13 . 1 1 68 68 LYS CB C 68 34.900 34.900 33.145 1.755 17818 6591 1 13 . 1 1 68 68 LYS H H 68 7.440 7.440 8.089 -0.649 17818 6592 1 13 . 1 1 69 69 PRO HA H 69 4.060 4.060 4.448 -0.388 17818 6593 1 13 . 1 1 69 69 PRO CA C 69 62.700 62.700 62.239 0.461 17818 6594 1 13 . 1 1 69 69 PRO CB C 69 32.300 32.300 32.527 -0.227 17818 6595 1 13 . 1 1 70 70 PHE N N 70 123.200 123.200 124.142 -0.942 17818 6596 1 13 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.896 0.144 17818 6597 1 13 . 1 1 70 70 PHE CA C 70 57.100 57.100 56.464 0.636 17818 6598 1 13 . 1 1 70 70 PHE CB C 70 42.900 42.900 42.915 -0.015 17818 6599 1 13 . 1 1 70 70 PHE H H 70 9.180 9.180 8.871 0.309 17818 6600 1 13 . 1 1 71 71 GLN N N 71 126.000 126.000 123.790 2.210 17818 6601 1 13 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.436 0.314 17818 6602 1 13 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.005 -0.705 17818 6603 1 13 . 1 1 71 71 GLN CB C 71 32.900 32.900 32.497 0.403 17818 6604 1 13 . 1 1 71 71 GLN H H 71 8.020 8.020 7.693 0.327 17818 6605 1 13 . 1 1 72 72 PHE N N 72 116.800 116.800 118.823 -2.023 17818 6606 1 13 . 1 1 72 72 PHE HA H 72 4.700 4.700 4.898 -0.198 17818 6607 1 13 . 1 1 72 72 PHE CA C 72 55.500 55.500 56.479 -0.979 17818 6608 1 13 . 1 1 72 72 PHE CB C 72 40.900 40.900 41.223 -0.323 17818 6609 1 13 . 1 1 72 72 PHE H H 72 8.110 8.110 8.908 -0.798 17818 6610 1 13 . 1 1 73 73 THR N N 73 118.800 118.800 118.091 0.709 17818 6611 1 13 . 1 1 73 73 THR HA H 73 3.960 3.960 4.425 -0.465 17818 6612 1 13 . 1 1 73 73 THR CA C 73 62.600 62.600 63.090 -0.490 17818 6613 1 13 . 1 1 73 73 THR CB C 73 67.500 67.500 68.345 -0.845 17818 6614 1 13 . 1 1 73 73 THR H H 73 9.080 9.080 8.531 0.549 17818 6615 1 13 . 1 1 74 74 LEU N N 74 132.500 132.500 128.634 3.866 17818 6616 1 13 . 1 1 74 74 LEU HA H 74 4.140 4.140 3.772 0.368 17818 6617 1 13 . 1 1 74 74 LEU CA C 74 56.800 56.800 55.621 1.179 17818 6618 1 13 . 1 1 74 74 LEU CB C 74 41.800 41.800 42.633 -0.833 17818 6619 1 13 . 1 1 74 74 LEU H H 74 8.220 8.220 8.215 0.005 17818 6620 1 13 . 1 1 75 75 GLY N N 75 118.100 118.100 112.587 5.513 17818 6621 1 13 . 1 1 75 75 GLY CA C 75 46.200 46.200 45.238 0.962 17818 6622 1 13 . 1 1 75 75 GLY H H 75 9.850 9.850 9.148 0.702 17818 6623 1 13 . 1 1 76 76 ALA N N 76 120.600 120.600 121.765 -1.165 17818 6624 1 13 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.731 -0.231 17818 6625 1 13 . 1 1 76 76 ALA CA C 76 51.900 51.900 50.971 0.929 17818 6626 1 13 . 1 1 76 76 ALA CB C 76 20.200 20.200 20.716 -0.516 17818 6627 1 13 . 1 1 76 76 ALA H H 76 7.550 7.550 7.774 -0.224 17818 6628 1 13 . 1 1 77 77 GLY N N 77 110.500 110.500 108.449 2.051 17818 6629 1 13 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.608 0.792 17818 6630 1 13 . 1 1 77 77 GLY H H 77 8.790 8.790 8.726 0.064 17818 6631 1 13 . 1 1 78 78 GLU N N 78 119.400 119.400 120.860 -1.460 17818 6632 1 13 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.328 -0.178 17818 6633 1 13 . 1 1 78 78 GLU CA C 78 57.200 57.200 57.473 -0.273 17818 6634 1 13 . 1 1 78 78 GLU CB C 78 30.900 30.900 30.230 0.670 17818 6635 1 13 . 1 1 78 78 GLU H H 78 9.240 9.240 8.273 0.967 17818 6636 1 13 . 1 1 79 79 VAL N N 79 108.600 108.600 114.890 -6.290 17818 6637 1 13 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.490 -0.270 17818 6638 1 13 . 1 1 79 79 VAL CA C 79 57.300 57.300 60.012 -2.712 17818 6639 1 13 . 1 1 79 79 VAL CB C 79 35.400 35.400 33.870 1.530 17818 6640 1 13 . 1 1 79 79 VAL H H 79 6.760 6.760 7.484 -0.724 17818 6641 1 13 . 1 1 80 80 ILE N N 80 111.800 111.800 115.321 -3.521 17818 6642 1 13 . 1 1 80 80 ILE HA H 80 3.800 3.800 4.010 -0.210 17818 6643 1 13 . 1 1 80 80 ILE CA C 80 61.800 61.800 61.275 0.525 17818 6644 1 13 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.262 -0.262 17818 6645 1 13 . 1 1 80 80 ILE H H 80 7.300 7.300 7.823 -0.523 17818 6646 1 13 . 1 1 81 81 LYS N N 81 124.700 124.700 125.967 -1.267 17818 6647 1 13 . 1 1 81 81 LYS HA H 81 4.160 4.160 4.007 0.153 17818 6648 1 13 . 1 1 81 81 LYS CA C 81 59.700 59.700 58.815 0.886 17818 6649 1 13 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.862 0.938 17818 6650 1 13 . 1 1 81 81 LYS H H 81 8.880 8.880 8.692 0.188 17818 6651 1 13 . 1 1 82 82 GLY N N 82 101.700 101.700 107.172 -5.472 17818 6652 1 13 . 1 1 82 82 GLY CA C 82 47.300 47.300 47.220 0.080 17818 6653 1 13 . 1 1 82 82 GLY H H 82 9.580 9.580 8.174 1.406 17818 6654 1 13 . 1 1 83 83 TRP N N 83 119.300 119.300 122.122 -2.822 17818 6655 1 13 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.334 -0.324 17818 6656 1 13 . 1 1 83 83 TRP CA C 83 59.300 59.300 56.944 2.356 17818 6657 1 13 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.462 0.638 17818 6658 1 13 . 1 1 83 83 TRP H H 83 7.450 7.450 7.265 0.185 17818 6659 1 13 . 1 1 84 84 ASP N N 84 120.900 120.900 120.456 0.444 17818 6660 1 13 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.455 -0.455 17818 6661 1 13 . 1 1 84 84 ASP CA C 84 58.200 58.200 58.193 0.007 17818 6662 1 13 . 1 1 84 84 ASP CB C 84 41.000 41.000 40.809 0.192 17818 6663 1 13 . 1 1 84 84 ASP H H 84 7.120 7.120 8.334 -1.214 17818 6664 1 13 . 1 1 85 85 GLN N N 85 114.500 114.500 119.636 -5.136 17818 6665 1 13 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.064 -0.064 17818 6666 1 13 . 1 1 85 85 GLN CA C 85 58.200 58.200 58.592 -0.392 17818 6667 1 13 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.734 0.166 17818 6668 1 13 . 1 1 85 85 GLN H H 85 8.360 8.360 8.319 0.041 17818 6669 1 13 . 1 1 86 86 GLY N N 86 106.300 106.300 107.007 -0.707 17818 6670 1 13 . 1 1 86 86 GLY CA C 86 47.700 47.700 46.789 0.911 17818 6671 1 13 . 1 1 86 86 GLY H H 86 7.960 7.960 7.762 0.198 17818 6672 1 13 . 1 1 87 87 VAL N N 87 125.300 125.300 116.264 9.036 17818 6673 1 13 . 1 1 87 87 VAL HA H 87 3.630 3.630 4.053 -0.423 17818 6674 1 13 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.615 1.785 17818 6675 1 13 . 1 1 87 87 VAL CB C 87 30.300 30.300 31.955 -1.655 17818 6676 1 13 . 1 1 87 87 VAL H H 87 9.090 9.090 7.858 1.232 17818 6677 1 13 . 1 1 88 88 ALA N N 88 116.500 116.500 123.258 -6.758 17818 6678 1 13 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.202 -0.212 17818 6679 1 13 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.416 -0.116 17818 6680 1 13 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.628 -0.028 17818 6681 1 13 . 1 1 88 88 ALA H H 88 6.750 6.750 7.996 -1.246 17818 6682 1 13 . 1 1 89 89 THR N N 89 105.500 105.500 112.157 -6.657 17818 6683 1 13 . 1 1 89 89 THR HA H 89 4.520 4.520 4.315 0.205 17818 6684 1 13 . 1 1 89 89 THR CA C 89 62.300 62.300 62.770 -0.470 17818 6685 1 13 . 1 1 89 89 THR CB C 89 71.100 71.100 68.994 2.106 17818 6686 1 13 . 1 1 89 89 THR H H 89 7.400 7.400 8.082 -0.682 17818 6687 1 13 . 1 1 90 90 MET N N 90 122.400 122.400 116.581 5.819 17818 6688 1 13 . 1 1 90 90 MET CA C 90 56.200 56.200 54.261 1.939 17818 6689 1 13 . 1 1 90 90 MET CB C 90 36.800 36.800 35.850 0.950 17818 6690 1 13 . 1 1 90 90 MET H H 90 7.550 7.550 7.342 0.208 17818 6691 1 13 . 1 1 91 91 THR N N 91 105.200 105.200 109.772 -4.572 17818 6692 1 13 . 1 1 91 91 THR HA H 91 5.120 5.120 4.544 0.576 17818 6693 1 13 . 1 1 91 91 THR CA C 91 59.800 59.800 59.386 0.414 17818 6694 1 13 . 1 1 91 91 THR CB C 91 71.900 71.900 71.820 0.080 17818 6695 1 13 . 1 1 91 91 THR H H 91 7.350 7.350 7.797 -0.447 17818 6696 1 13 . 1 1 92 92 LEU N N 92 121.200 121.200 121.641 -0.441 17818 6697 1 13 . 1 1 92 92 LEU HA H 92 3.600 3.600 3.903 -0.303 17818 6698 1 13 . 1 1 92 92 LEU CA C 92 58.100 58.100 56.370 1.730 17818 6699 1 13 . 1 1 92 92 LEU CB C 92 43.400 43.400 42.607 0.793 17818 6700 1 13 . 1 1 92 92 LEU H H 92 8.180 8.180 8.088 0.092 17818 6701 1 13 . 1 1 93 93 GLY N N 93 115.800 115.800 112.437 3.363 17818 6702 1 13 . 1 1 93 93 GLY CA C 93 44.700 44.700 44.895 -0.195 17818 6703 1 13 . 1 1 93 93 GLY H H 93 8.490 8.490 8.799 -0.309 17818 6704 1 13 . 1 1 94 94 GLU N N 94 123.700 123.700 121.533 2.167 17818 6705 1 13 . 1 1 94 94 GLU HA H 94 4.290 4.290 4.942 -0.652 17818 6706 1 13 . 1 1 94 94 GLU CA C 94 56.100 56.100 55.064 1.036 17818 6707 1 13 . 1 1 94 94 GLU CB C 94 33.500 33.500 32.805 0.695 17818 6708 1 13 . 1 1 94 94 GLU H H 94 8.650 8.650 7.723 0.927 17818 6709 1 13 . 1 1 95 95 LYS N N 95 124.200 124.200 126.268 -2.068 17818 6710 1 13 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.218 0.342 17818 6711 1 13 . 1 1 95 95 LYS CA C 95 54.600 54.600 55.138 -0.538 17818 6712 1 13 . 1 1 95 95 LYS CB C 95 35.300 35.300 35.831 -0.531 17818 6713 1 13 . 1 1 95 95 LYS H H 95 8.950 8.950 8.862 0.088 17818 6714 1 13 . 1 1 96 96 ALA N N 96 129.100 129.100 129.076 0.024 17818 6715 1 13 . 1 1 96 96 ALA HA H 96 4.990 4.990 5.280 -0.290 17818 6716 1 13 . 1 1 96 96 ALA CA C 96 50.500 50.500 50.014 0.486 17818 6717 1 13 . 1 1 96 96 ALA CB C 96 23.900 23.900 23.194 0.706 17818 6718 1 13 . 1 1 96 96 ALA H H 96 9.530 9.530 9.256 0.274 17818 6719 1 13 . 1 1 97 97 LEU N N 97 122.200 122.200 122.495 -0.295 17818 6720 1 13 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.725 0.455 17818 6721 1 13 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.128 -1.128 17818 6722 1 13 . 1 1 97 97 LEU CB C 97 45.800 45.800 43.084 2.716 17818 6723 1 13 . 1 1 97 97 LEU H H 97 9.100 9.100 8.847 0.253 17818 6724 1 13 . 1 1 98 98 PHE N N 98 125.800 125.800 129.874 -4.074 17818 6725 1 13 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.273 0.427 17818 6726 1 13 . 1 1 98 98 PHE CA C 98 56.500 56.500 56.222 0.278 17818 6727 1 13 . 1 1 98 98 PHE CB C 98 42.300 42.300 42.381 -0.081 17818 6728 1 13 . 1 1 98 98 PHE H H 98 9.940 9.940 9.359 0.581 17818 6729 1 13 . 1 1 99 99 THR N N 99 121.600 121.600 125.480 -3.880 17818 6730 1 13 . 1 1 99 99 THR CA C 99 63.500 63.500 62.678 0.822 17818 6731 1 13 . 1 1 99 99 THR CB C 99 68.600 68.600 68.528 0.073 17818 6732 1 13 . 1 1 99 99 THR H H 99 9.100 9.100 8.468 0.632 17818 6733 1 13 . 1 1 100 100 ILE N N 100 127.400 127.400 129.200 -1.800 17818 6734 1 13 . 1 1 100 100 ILE CA C 100 58.700 58.700 57.059 1.641 17818 6735 1 13 . 1 1 100 100 ILE CB C 100 39.400 39.400 38.227 1.173 17818 6736 1 13 . 1 1 100 100 ILE H H 100 9.880 9.880 9.037 0.843 17818 6737 1 13 . 1 1 101 101 PRO CA C 101 62.200 62.200 62.331 -0.131 17818 6738 1 13 . 1 1 101 101 PRO CB C 101 32.500 32.500 31.937 0.563 17818 6739 1 13 . 1 1 102 102 TYR N N 102 118.100 118.100 119.889 -1.789 17818 6740 1 13 . 1 1 102 102 TYR HA H 102 4.470 4.470 4.099 0.371 17818 6741 1 13 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.796 0.304 17818 6742 1 13 . 1 1 102 102 TYR CB C 102 37.000 37.000 36.972 0.028 17818 6743 1 13 . 1 1 102 102 TYR H H 102 8.450 8.450 8.303 0.147 17818 6744 1 13 . 1 1 103 103 GLN N N 103 123.800 123.800 116.778 7.022 17818 6745 1 13 . 1 1 103 103 GLN HA H 103 4.050 4.050 4.147 -0.097 17818 6746 1 13 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.473 2.027 17818 6747 1 13 . 1 1 103 103 GLN CB C 103 27.300 27.300 27.905 -0.606 17818 6748 1 13 . 1 1 103 103 GLN H H 103 9.080 9.080 7.375 1.705 17818 6749 1 13 . 1 1 104 104 LEU N N 104 116.800 116.800 117.584 -0.784 17818 6750 1 13 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.384 0.136 17818 6751 1 13 . 1 1 104 104 LEU CA C 104 53.100 53.100 54.491 -1.391 17818 6752 1 13 . 1 1 104 104 LEU CB C 104 43.400 43.400 41.756 1.644 17818 6753 1 13 . 1 1 104 104 LEU H H 104 7.790 7.790 7.638 0.152 17818 6754 1 13 . 1 1 105 105 ALA N N 105 125.400 125.400 119.432 5.968 17818 6755 1 13 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.443 0.027 17818 6756 1 13 . 1 1 105 105 ALA CA C 105 51.000 51.000 51.624 -0.624 17818 6757 1 13 . 1 1 105 105 ALA CB C 105 18.900 18.900 19.973 -1.073 17818 6758 1 13 . 1 1 105 105 ALA H H 105 7.780 7.780 7.265 0.515 17818 6759 1 13 . 1 1 106 106 TYR N N 106 122.000 122.000 117.694 4.306 17818 6760 1 13 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.349 0.261 17818 6761 1 13 . 1 1 106 106 TYR CA C 106 59.300 59.300 58.928 0.372 17818 6762 1 13 . 1 1 106 106 TYR CB C 106 37.400 37.400 37.853 -0.453 17818 6763 1 13 . 1 1 106 106 TYR H H 106 9.430 9.430 8.517 0.913 17818 6764 1 13 . 1 1 107 107 GLY N N 107 105.500 105.500 108.681 -3.181 17818 6765 1 13 . 1 1 107 107 GLY CA C 107 46.500 46.500 46.080 0.420 17818 6766 1 13 . 1 1 107 107 GLY H H 107 8.490 8.490 7.880 0.610 17818 6767 1 13 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.136 -0.626 17818 6768 1 13 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.551 -0.051 17818 6769 1 13 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.737 -0.137 17818 6770 1 13 . 1 1 109 109 ARG N N 109 115.900 115.900 116.866 -0.966 17818 6771 1 13 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.134 0.046 17818 6772 1 13 . 1 1 109 109 ARG CA C 109 57.400 57.400 55.929 1.471 17818 6773 1 13 . 1 1 109 109 ARG CB C 109 30.700 30.700 30.805 -0.105 17818 6774 1 13 . 1 1 109 109 ARG H H 109 8.840 8.840 7.943 0.897 17818 6775 1 13 . 1 1 110 110 GLY N N 110 130.700 130.700 107.633 23.067 17818 6776 1 13 . 1 1 110 110 GLY CA C 110 44.800 44.800 46.840 -2.039 17818 6777 1 13 . 1 1 110 110 GLY H H 110 7.140 7.140 8.037 -0.897 17818 6778 1 13 . 1 1 111 111 TYR N N 111 119.700 119.700 116.782 2.918 17818 6779 1 13 . 1 1 111 111 TYR CA C 111 54.500 54.500 59.633 -5.133 17818 6780 1 13 . 1 1 111 111 TYR CB C 111 38.600 38.600 36.189 2.411 17818 6781 1 13 . 1 1 111 111 TYR H H 111 8.570 8.570 8.219 0.351 17818 6782 1 13 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.765 -0.965 17818 6783 1 13 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.635 2.665 17818 6784 1 13 . 1 1 114 114 VAL N N 114 122.900 122.900 110.298 12.602 17818 6785 1 13 . 1 1 114 114 VAL HA H 114 3.850 3.850 4.176 -0.326 17818 6786 1 13 . 1 1 114 114 VAL CA C 114 65.600 65.600 63.321 2.279 17818 6787 1 13 . 1 1 114 114 VAL CB C 114 33.000 33.000 32.428 0.571 17818 6788 1 13 . 1 1 114 114 VAL H H 114 7.870 7.870 7.867 0.003 17818 6789 1 13 . 1 1 115 115 ILE N N 115 118.100 118.100 122.496 -4.396 17818 6790 1 13 . 1 1 115 115 ILE CA C 115 56.300 56.300 57.356 -1.056 17818 6791 1 13 . 1 1 115 115 ILE CB C 115 37.700 37.700 38.913 -1.213 17818 6792 1 13 . 1 1 115 115 ILE H H 115 7.550 7.550 7.897 -0.347 17818 6793 1 13 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.277 -0.657 17818 6794 1 13 . 1 1 117 117 PRO CA C 117 63.400 63.400 63.433 -0.033 17818 6795 1 13 . 1 1 117 117 PRO CB C 117 32.800 32.800 31.641 1.159 17818 6796 1 13 . 1 1 118 118 LYS N N 118 115.100 115.100 115.038 0.062 17818 6797 1 13 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.141 -0.561 17818 6798 1 13 . 1 1 118 118 LYS CA C 118 57.900 57.900 57.045 0.855 17818 6799 1 13 . 1 1 118 118 LYS CB C 118 29.700 29.700 30.245 -0.545 17818 6800 1 13 . 1 1 118 118 LYS H H 118 7.330 7.330 8.447 -1.117 17818 6801 1 13 . 1 1 119 119 ALA N N 119 121.900 121.900 122.423 -0.523 17818 6802 1 13 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.283 0.167 17818 6803 1 13 . 1 1 119 119 ALA CA C 119 52.700 52.700 52.348 0.352 17818 6804 1 13 . 1 1 119 119 ALA CB C 119 20.100 20.100 19.459 0.641 17818 6805 1 13 . 1 1 119 119 ALA H H 119 7.900 7.900 7.818 0.082 17818 6806 1 13 . 1 1 120 120 THR N N 120 121.800 121.800 121.044 0.756 17818 6807 1 13 . 1 1 120 120 THR CA C 120 63.100 63.100 62.842 0.258 17818 6808 1 13 . 1 1 120 120 THR CB C 120 69.800 69.800 69.207 0.593 17818 6809 1 13 . 1 1 120 120 THR H H 120 8.170 8.170 8.291 -0.121 17818 6810 1 13 . 1 1 121 121 LEU N N 121 124.200 124.200 129.098 -4.898 17818 6811 1 13 . 1 1 121 121 LEU CA C 121 53.100 53.100 52.561 0.539 17818 6812 1 13 . 1 1 121 121 LEU CB C 121 46.300 46.300 46.213 0.087 17818 6813 1 13 . 1 1 121 121 LEU H H 121 8.640 8.640 9.006 -0.366 17818 6814 1 13 . 1 1 122 122 VAL N N 122 122.200 122.200 123.016 -0.816 17818 6815 1 13 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.381 0.909 17818 6816 1 13 . 1 1 122 122 VAL CA C 122 60.700 60.700 61.995 -1.295 17818 6817 1 13 . 1 1 122 122 VAL CB C 122 33.300 33.300 32.648 0.652 17818 6818 1 13 . 1 1 122 122 VAL H H 122 8.860 8.860 8.411 0.449 17818 6819 1 13 . 1 1 123 123 PHE N N 123 122.900 122.900 126.345 -3.445 17818 6820 1 13 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.512 -0.112 17818 6821 1 13 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.044 -0.644 17818 6822 1 13 . 1 1 123 123 PHE CB C 123 44.000 44.000 42.768 1.232 17818 6823 1 13 . 1 1 123 123 PHE H H 123 9.620 9.620 9.509 0.111 17818 6824 1 13 . 1 1 124 124 GLU N N 124 125.500 125.500 124.966 0.534 17818 6825 1 13 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.845 1.055 17818 6826 1 13 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.582 -0.982 17818 6827 1 13 . 1 1 124 124 GLU CB C 124 31.800 31.800 30.398 1.402 17818 6828 1 13 . 1 1 124 124 GLU H H 124 9.180 9.180 8.703 0.477 17818 6829 1 13 . 1 1 125 125 VAL N N 125 128.100 128.100 121.900 6.200 17818 6830 1 13 . 1 1 125 125 VAL CA C 125 61.300 61.300 60.381 0.919 17818 6831 1 13 . 1 1 125 125 VAL CB C 125 35.800 35.800 33.548 2.252 17818 6832 1 13 . 1 1 125 125 VAL H H 125 9.600 9.600 8.946 0.654 17818 6833 1 13 . 1 1 126 126 GLU N N 126 128.500 128.500 127.262 1.238 17818 6834 1 13 . 1 1 126 126 GLU HA H 126 5.630 5.630 4.970 0.660 17818 6835 1 13 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.512 -1.012 17818 6836 1 13 . 1 1 126 126 GLU CB C 126 34.000 34.000 33.812 0.188 17818 6837 1 13 . 1 1 126 126 GLU H H 126 9.420 9.420 8.810 0.610 17818 6838 1 13 . 1 1 127 127 LEU N N 127 127.900 127.900 129.208 -1.308 17818 6839 1 13 . 1 1 127 127 LEU CA C 127 55.100 55.100 54.190 0.910 17818 6840 1 13 . 1 1 127 127 LEU CB C 127 41.400 41.400 41.458 -0.058 17818 6841 1 13 . 1 1 127 127 LEU H H 127 8.720 8.720 9.102 -0.382 17818 6842 1 13 . 1 1 128 128 LEU N N 128 128.700 128.700 128.361 0.339 17818 6843 1 13 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.347 0.053 17818 6844 1 13 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.841 0.059 17818 6845 1 13 . 1 1 128 128 LEU CB C 128 43.700 43.700 41.924 1.776 17818 6846 1 13 . 1 1 128 128 LEU H H 128 8.690 8.690 8.758 -0.068 17818 6847 1 13 . 1 1 129 129 ALA N N 129 118.600 118.600 116.015 2.585 17818 6848 1 13 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.428 0.032 17818 6849 1 13 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.733 1.067 17818 6850 1 13 . 1 1 129 129 ALA CB C 129 21.100 21.100 20.436 0.664 17818 6851 1 13 . 1 1 129 129 ALA H H 129 7.810 7.810 7.895 -0.085 17818 6852 1 14 . 1 1 8 8 HIS CA C 8 54.700 54.700 55.936 -1.236 17818 6853 1 14 . 1 1 8 8 HIS CB C 8 31.200 31.200 31.005 0.195 17818 6854 1 14 . 1 1 9 9 MET N N 9 120.000 120.000 122.026 -2.026 17818 6855 1 14 . 1 1 9 9 MET HA H 9 4.280 4.280 4.384 -0.104 17818 6856 1 14 . 1 1 9 9 MET CA C 9 55.500 55.500 55.278 0.222 17818 6857 1 14 . 1 1 9 9 MET CB C 9 32.500 32.500 33.172 -0.672 17818 6858 1 14 . 1 1 9 9 MET H H 9 8.110 8.110 8.636 -0.526 17818 6859 1 14 . 1 1 10 10 GLY N N 10 109.800 109.800 108.167 1.633 17818 6860 1 14 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.944 0.356 17818 6861 1 14 . 1 1 10 10 GLY H H 10 8.440 8.440 8.400 0.040 17818 6862 1 14 . 1 1 11 11 THR N N 11 113.600 113.600 116.270 -2.670 17818 6863 1 14 . 1 1 11 11 THR HA H 11 4.330 4.330 4.524 -0.194 17818 6864 1 14 . 1 1 11 11 THR CA C 11 62.000 62.000 61.132 0.868 17818 6865 1 14 . 1 1 11 11 THR CB C 11 69.900 69.900 70.737 -0.837 17818 6866 1 14 . 1 1 11 11 THR H H 11 8.070 8.070 7.955 0.115 17818 6867 1 14 . 1 1 12 12 LEU N N 12 124.200 124.200 120.152 4.048 17818 6868 1 14 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.851 -0.531 17818 6869 1 14 . 1 1 12 12 LEU CA C 12 55.500 55.500 56.234 -0.734 17818 6870 1 14 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.542 -0.442 17818 6871 1 14 . 1 1 12 12 LEU H H 12 8.380 8.380 8.721 -0.341 17818 6872 1 14 . 1 1 13 13 GLU N N 13 121.600 121.600 118.128 3.472 17818 6873 1 14 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.535 -0.335 17818 6874 1 14 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.318 1.582 17818 6875 1 14 . 1 1 13 13 GLU CB C 13 30.000 30.000 31.527 -1.527 17818 6876 1 14 . 1 1 13 13 GLU H H 13 8.430 8.430 7.894 0.536 17818 6877 1 14 . 1 1 14 14 ALA N N 14 124.400 124.400 123.303 1.097 17818 6878 1 14 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.331 -0.061 17818 6879 1 14 . 1 1 14 14 ALA CA C 14 52.700 52.700 53.274 -0.574 17818 6880 1 14 . 1 1 14 14 ALA CB C 14 19.100 19.100 19.508 -0.408 17818 6881 1 14 . 1 1 14 14 ALA H H 14 8.290 8.290 8.312 -0.022 17818 6882 1 14 . 1 1 15 15 GLN N N 15 119.100 119.100 115.173 3.927 17818 6883 1 14 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.447 -0.057 17818 6884 1 14 . 1 1 15 15 GLN CA C 15 56.000 56.000 54.762 1.238 17818 6885 1 14 . 1 1 15 15 GLN CB C 15 29.400 29.400 29.866 -0.466 17818 6886 1 14 . 1 1 15 15 GLN H H 15 8.370 8.370 7.709 0.661 17818 6887 1 14 . 1 1 16 16 THR N N 16 114.900 114.900 114.827 0.073 17818 6888 1 14 . 1 1 16 16 THR CA C 16 62.100 62.100 62.078 0.022 17818 6889 1 14 . 1 1 16 16 THR CB C 16 69.800 69.800 69.482 0.318 17818 6890 1 14 . 1 1 16 16 THR H H 16 8.200 8.200 8.313 -0.113 17818 6891 1 14 . 1 1 17 17 GLN N N 17 122.200 122.200 127.796 -5.596 17818 6892 1 14 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.347 0.083 17818 6893 1 14 . 1 1 17 17 GLN CA C 17 55.600 55.600 55.751 -0.151 17818 6894 1 14 . 1 1 17 17 GLN CB C 17 29.700 29.700 27.977 1.723 17818 6895 1 14 . 1 1 17 17 GLN H H 17 8.420 8.420 8.632 -0.212 17818 6896 1 14 . 1 1 18 18 GLY N N 18 110.100 110.100 111.275 -1.175 17818 6897 1 14 . 1 1 18 18 GLY CA C 18 44.600 44.600 45.008 -0.408 17818 6898 1 14 . 1 1 18 18 GLY H H 18 8.360 8.360 7.987 0.373 17818 6899 1 14 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.487 -0.047 17818 6900 1 14 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.104 -0.504 17818 6901 1 14 . 1 1 19 19 PRO CB C 19 32.000 32.000 32.395 -0.395 17818 6902 1 14 . 1 1 20 20 GLY N N 20 109.400 109.400 105.358 4.042 17818 6903 1 14 . 1 1 20 20 GLY CA C 20 45.300 45.300 44.523 0.777 17818 6904 1 14 . 1 1 20 20 GLY H H 20 8.630 8.630 7.878 0.752 17818 6905 1 14 . 1 1 21 21 SER N N 21 115.400 115.400 117.780 -2.380 17818 6906 1 14 . 1 1 21 21 SER CA C 21 63.800 63.800 58.092 5.708 17818 6907 1 14 . 1 1 21 21 SER CB C 21 69.800 69.800 62.512 7.288 17818 6908 1 14 . 1 1 21 21 SER H H 21 4.180 4.180 7.870 -3.690 17818 6909 1 14 . 1 1 22 22 MET N N 22 121.900 121.900 124.023 -2.123 17818 6910 1 14 . 1 1 22 22 MET CA C 22 55.500 55.500 55.894 -0.394 17818 6911 1 14 . 1 1 22 22 MET CB C 22 32.800 32.800 30.855 1.945 17818 6912 1 14 . 1 1 22 22 MET H H 22 8.440 8.440 8.350 0.090 17818 6913 1 14 . 1 1 23 23 SER N N 23 116.600 116.600 119.919 -3.319 17818 6914 1 14 . 1 1 23 23 SER HA H 23 4.400 4.400 4.796 -0.396 17818 6915 1 14 . 1 1 23 23 SER CA C 23 58.300 58.300 57.746 0.554 17818 6916 1 14 . 1 1 23 23 SER CB C 23 63.700 63.700 64.701 -1.001 17818 6917 1 14 . 1 1 23 23 SER H H 23 8.290 8.290 8.217 0.073 17818 6918 1 14 . 1 1 24 24 ALA N N 24 125.700 125.700 124.437 1.263 17818 6919 1 14 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.494 -0.204 17818 6920 1 14 . 1 1 24 24 ALA CA C 24 52.100 52.100 51.861 0.239 17818 6921 1 14 . 1 1 24 24 ALA CB C 24 19.300 19.300 17.916 1.384 17818 6922 1 14 . 1 1 24 24 ALA H H 24 8.200 8.200 8.447 -0.247 17818 6923 1 14 . 1 1 25 25 GLN N N 25 118.300 118.300 119.935 -1.635 17818 6924 1 14 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.378 0.132 17818 6925 1 14 . 1 1 25 25 GLN CA C 25 54.200 54.200 54.974 -0.774 17818 6926 1 14 . 1 1 25 25 GLN CB C 25 31.300 31.300 29.973 1.327 17818 6927 1 14 . 1 1 25 25 GLN H H 25 8.280 8.280 7.777 0.503 17818 6928 1 14 . 1 1 26 26 LEU N N 26 122.100 122.100 125.047 -2.947 17818 6929 1 14 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.529 -0.069 17818 6930 1 14 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.882 0.418 17818 6931 1 14 . 1 1 26 26 LEU CB C 26 43.500 43.500 43.914 -0.414 17818 6932 1 14 . 1 1 26 26 LEU H H 26 8.480 8.480 8.397 0.083 17818 6933 1 14 . 1 1 27 27 GLU N N 27 125.300 125.300 127.086 -1.786 17818 6934 1 14 . 1 1 27 27 GLU CA C 27 55.300 55.300 54.990 0.309 17818 6935 1 14 . 1 1 27 27 GLU CB C 27 32.400 32.400 31.701 0.699 17818 6936 1 14 . 1 1 27 27 GLU H H 27 8.240 8.240 8.523 -0.283 17818 6937 1 14 . 1 1 28 28 LYS N N 28 125.000 125.000 123.327 1.673 17818 6938 1 14 . 1 1 28 28 LYS HA H 28 4.610 4.610 5.066 -0.456 17818 6939 1 14 . 1 1 28 28 LYS CA C 28 54.500 54.500 54.463 0.037 17818 6940 1 14 . 1 1 28 28 LYS CB C 28 35.700 35.700 34.004 1.696 17818 6941 1 14 . 1 1 28 28 LYS H H 28 8.810 8.810 8.561 0.249 17818 6942 1 14 . 1 1 29 29 LYS N N 29 128.100 128.100 126.125 1.975 17818 6943 1 14 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.462 0.568 17818 6944 1 14 . 1 1 29 29 LYS CA C 29 55.000 55.000 54.195 0.805 17818 6945 1 14 . 1 1 29 29 LYS CB C 29 36.200 36.200 33.400 2.800 17818 6946 1 14 . 1 1 29 29 LYS H H 29 8.850 8.850 8.678 0.172 17818 6947 1 14 . 1 1 30 30 VAL N N 30 127.200 127.200 128.925 -1.725 17818 6948 1 14 . 1 1 30 30 VAL HA H 30 3.660 3.660 3.956 -0.296 17818 6949 1 14 . 1 1 30 30 VAL CA C 30 64.800 64.800 63.468 1.332 17818 6950 1 14 . 1 1 30 30 VAL CB C 30 31.600 31.600 31.431 0.169 17818 6951 1 14 . 1 1 30 30 VAL H H 30 9.170 9.170 8.935 0.235 17818 6952 1 14 . 1 1 31 31 LEU N N 31 129.800 129.800 129.093 0.707 17818 6953 1 14 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.635 -0.195 17818 6954 1 14 . 1 1 31 31 LEU CA C 31 56.000 56.000 55.459 0.541 17818 6955 1 14 . 1 1 31 31 LEU CB C 31 41.800 41.800 43.740 -1.940 17818 6956 1 14 . 1 1 31 31 LEU H H 31 9.020 9.020 8.744 0.276 17818 6957 1 14 . 1 1 32 32 THR N N 32 115.700 115.700 116.865 -1.165 17818 6958 1 14 . 1 1 32 32 THR CA C 32 59.300 59.300 60.424 -1.124 17818 6959 1 14 . 1 1 32 32 THR CB C 32 72.500 72.500 70.428 2.072 17818 6960 1 14 . 1 1 32 32 THR H H 32 8.220 8.220 8.084 0.136 17818 6961 1 14 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.744 -0.454 17818 6962 1 14 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.175 0.825 17818 6963 1 14 . 1 1 33 33 PRO CB C 33 32.400 32.400 32.221 0.179 17818 6964 1 14 . 1 1 34 34 GLY N N 34 109.400 109.400 110.911 -1.511 17818 6965 1 14 . 1 1 34 34 GLY CA C 34 44.200 44.200 43.575 0.625 17818 6966 1 14 . 1 1 34 34 GLY H H 34 9.010 9.010 8.489 0.521 17818 6967 1 14 . 1 1 35 35 ASP N N 35 119.400 119.400 119.962 -0.562 17818 6968 1 14 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.363 -0.033 17818 6969 1 14 . 1 1 35 35 ASP CA C 35 54.700 54.700 56.658 -1.958 17818 6970 1 14 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.344 -1.944 17818 6971 1 14 . 1 1 35 35 ASP H H 35 8.370 8.370 8.163 0.207 17818 6972 1 14 . 1 1 36 36 GLY N N 36 107.900 107.900 107.637 0.263 17818 6973 1 14 . 1 1 36 36 GLY CA C 36 46.000 46.000 46.566 -0.566 17818 6974 1 14 . 1 1 36 36 GLY H H 36 8.750 8.750 8.329 0.421 17818 6975 1 14 . 1 1 37 37 VAL N N 37 116.200 116.200 116.416 -0.216 17818 6976 1 14 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.103 0.397 17818 6977 1 14 . 1 1 37 37 VAL CA C 37 62.500 62.500 62.626 -0.126 17818 6978 1 14 . 1 1 37 37 VAL CB C 37 35.900 35.900 32.040 3.860 17818 6979 1 14 . 1 1 37 37 VAL H H 37 8.590 8.590 7.772 0.818 17818 6980 1 14 . 1 1 38 38 THR N N 38 126.400 126.400 112.556 13.844 17818 6981 1 14 . 1 1 38 38 THR HA H 38 4.210 4.210 4.281 -0.071 17818 6982 1 14 . 1 1 38 38 THR CA C 38 63.300 63.300 61.489 1.811 17818 6983 1 14 . 1 1 38 38 THR CB C 38 65.800 65.800 68.184 -2.384 17818 6984 1 14 . 1 1 38 38 THR H H 38 10.650 10.650 7.665 2.985 17818 6985 1 14 . 1 1 39 39 LYS N N 39 127.000 127.000 126.324 0.676 17818 6986 1 14 . 1 1 39 39 LYS CA C 39 53.400 53.400 53.637 -0.237 17818 6987 1 14 . 1 1 39 39 LYS CB C 39 33.200 33.200 32.352 0.848 17818 6988 1 14 . 1 1 39 39 LYS H H 39 8.390 8.390 7.747 0.643 17818 6989 1 14 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.880 -0.680 17818 6990 1 14 . 1 1 40 40 PRO CB C 40 33.300 33.300 32.273 1.027 17818 6991 1 14 . 1 1 41 41 GLN N N 41 120.900 120.900 116.633 4.267 17818 6992 1 14 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.377 0.083 17818 6993 1 14 . 1 1 41 41 GLN CA C 41 53.700 53.700 53.950 -0.250 17818 6994 1 14 . 1 1 41 41 GLN CB C 41 31.500 31.500 30.532 0.968 17818 6995 1 14 . 1 1 41 41 GLN H H 41 8.750 8.750 7.856 0.894 17818 6996 1 14 . 1 1 42 42 ALA N N 42 125.700 125.700 122.120 3.580 17818 6997 1 14 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.398 -0.618 17818 6998 1 14 . 1 1 42 42 ALA CA C 42 53.400 53.400 52.505 0.895 17818 6999 1 14 . 1 1 42 42 ALA CB C 42 17.800 17.800 18.658 -0.858 17818 7000 1 14 . 1 1 42 42 ALA H H 42 8.550 8.550 8.377 0.173 17818 7001 1 14 . 1 1 43 43 GLY N N 43 109.700 109.700 110.440 -0.740 17818 7002 1 14 . 1 1 43 43 GLY CA C 43 45.200 45.200 44.998 0.202 17818 7003 1 14 . 1 1 43 43 GLY H H 43 8.970 8.970 8.838 0.132 17818 7004 1 14 . 1 1 44 44 LYS N N 44 120.300 120.300 121.458 -1.158 17818 7005 1 14 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.573 0.097 17818 7006 1 14 . 1 1 44 44 LYS CA C 44 53.800 53.800 54.010 -0.210 17818 7007 1 14 . 1 1 44 44 LYS CB C 44 34.100 34.100 33.706 0.394 17818 7008 1 14 . 1 1 44 44 LYS H H 44 7.920 7.920 7.395 0.525 17818 7009 1 14 . 1 1 45 45 LYS N N 45 120.800 120.800 127.785 -6.985 17818 7010 1 14 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.269 0.251 17818 7011 1 14 . 1 1 45 45 LYS CA C 45 56.300 56.300 55.914 0.386 17818 7012 1 14 . 1 1 45 45 LYS CB C 45 32.900 32.900 31.830 1.070 17818 7013 1 14 . 1 1 45 45 LYS H H 45 8.340 8.340 8.760 -0.420 17818 7014 1 14 . 1 1 46 46 VAL N N 46 117.600 117.600 123.115 -5.515 17818 7015 1 14 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.654 -0.094 17818 7016 1 14 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.216 -0.316 17818 7017 1 14 . 1 1 46 46 VAL CB C 46 33.900 33.900 33.592 0.308 17818 7018 1 14 . 1 1 46 46 VAL H H 46 8.560 8.560 8.656 -0.096 17818 7019 1 14 . 1 1 47 47 THR N N 47 115.600 115.600 122.445 -6.845 17818 7020 1 14 . 1 1 47 47 THR HA H 47 5.100 5.100 4.733 0.367 17818 7021 1 14 . 1 1 47 47 THR CA C 47 61.600 61.600 62.223 -0.623 17818 7022 1 14 . 1 1 47 47 THR CB C 47 69.800 69.800 68.356 1.444 17818 7023 1 14 . 1 1 47 47 THR H H 47 8.130 8.130 8.721 -0.591 17818 7024 1 14 . 1 1 48 48 VAL N N 48 118.100 118.100 121.581 -3.481 17818 7025 1 14 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.321 0.469 17818 7026 1 14 . 1 1 48 48 VAL CA C 48 58.000 58.000 58.771 -0.771 17818 7027 1 14 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.367 0.133 17818 7028 1 14 . 1 1 48 48 VAL H H 48 9.740 9.740 9.203 0.537 17818 7029 1 14 . 1 1 49 49 HIS N N 49 119.000 119.000 118.416 0.584 17818 7030 1 14 . 1 1 49 49 HIS HA H 49 5.810 5.810 4.845 0.965 17818 7031 1 14 . 1 1 49 49 HIS CA C 49 54.600 54.600 54.304 0.296 17818 7032 1 14 . 1 1 49 49 HIS CB C 49 35.600 35.600 33.520 2.080 17818 7033 1 14 . 1 1 49 49 HIS H H 49 8.630 8.630 8.318 0.312 17818 7034 1 14 . 1 1 50 50 TYR N N 50 116.800 116.800 122.503 -5.703 17818 7035 1 14 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.384 0.846 17818 7036 1 14 . 1 1 50 50 TYR CA C 50 56.000 56.000 55.797 0.203 17818 7037 1 14 . 1 1 50 50 TYR CB C 50 43.500 43.500 41.693 1.807 17818 7038 1 14 . 1 1 50 50 TYR H H 50 9.870 9.870 8.906 0.964 17818 7039 1 14 . 1 1 51 51 ASP N N 51 120.400 120.400 119.450 0.950 17818 7040 1 14 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.852 0.098 17818 7041 1 14 . 1 1 51 51 ASP CA C 51 54.400 54.400 53.623 0.777 17818 7042 1 14 . 1 1 51 51 ASP CB C 51 44.900 44.900 45.422 -0.522 17818 7043 1 14 . 1 1 51 51 ASP H H 51 8.840 8.840 8.394 0.446 17818 7044 1 14 . 1 1 52 52 GLY N N 52 112.500 112.500 109.484 3.016 17818 7045 1 14 . 1 1 52 52 GLY CA C 52 45.300 45.300 44.277 1.023 17818 7046 1 14 . 1 1 52 52 GLY H H 52 9.130 9.130 8.256 0.874 17818 7047 1 14 . 1 1 53 53 ARG N N 53 125.200 125.200 124.863 0.337 17818 7048 1 14 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.625 0.405 17818 7049 1 14 . 1 1 53 53 ARG CA C 53 53.900 53.900 54.163 -0.263 17818 7050 1 14 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.676 0.124 17818 7051 1 14 . 1 1 53 53 ARG H H 53 9.370 9.370 8.526 0.844 17818 7052 1 14 . 1 1 54 54 PHE N N 54 119.400 119.400 124.039 -4.639 17818 7053 1 14 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.843 -0.603 17818 7054 1 14 . 1 1 54 54 PHE CA C 54 57.300 57.300 57.628 -0.328 17818 7055 1 14 . 1 1 54 54 PHE CB C 54 37.700 37.700 38.346 -0.646 17818 7056 1 14 . 1 1 54 54 PHE H H 54 8.770 8.770 8.933 -0.163 17818 7057 1 14 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.049 0.231 17818 7058 1 14 . 1 1 55 55 PRO CA C 55 65.700 65.700 66.201 -0.501 17818 7059 1 14 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.776 0.024 17818 7060 1 14 . 1 1 56 56 ASP N N 56 113.600 113.600 115.400 -1.800 17818 7061 1 14 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.452 0.018 17818 7062 1 14 . 1 1 56 56 ASP CA C 56 53.900 53.900 55.938 -2.038 17818 7063 1 14 . 1 1 56 56 ASP CB C 56 39.800 39.800 40.526 -0.726 17818 7064 1 14 . 1 1 56 56 ASP H H 56 7.780 7.780 8.803 -1.023 17818 7065 1 14 . 1 1 57 57 GLY N N 57 108.700 108.700 106.189 2.511 17818 7066 1 14 . 1 1 57 57 GLY CA C 57 44.900 44.900 44.706 0.194 17818 7067 1 14 . 1 1 57 57 GLY H H 57 8.440 8.440 7.837 0.603 17818 7068 1 14 . 1 1 58 58 LYS N N 58 122.800 122.800 124.194 -1.394 17818 7069 1 14 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.327 -0.077 17818 7070 1 14 . 1 1 58 58 LYS CA C 58 57.500 57.500 56.655 0.845 17818 7071 1 14 . 1 1 58 58 LYS CB C 58 32.600 32.600 32.447 0.152 17818 7072 1 14 . 1 1 58 58 LYS H H 58 8.230 8.230 8.192 0.038 17818 7073 1 14 . 1 1 59 59 GLN N N 59 125.800 125.800 124.623 1.177 17818 7074 1 14 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.657 -0.207 17818 7075 1 14 . 1 1 59 59 GLN CA C 59 56.300 56.300 54.890 1.410 17818 7076 1 14 . 1 1 59 59 GLN CB C 59 30.900 30.900 30.046 0.854 17818 7077 1 14 . 1 1 59 59 GLN H H 59 8.810 8.810 8.576 0.234 17818 7078 1 14 . 1 1 60 60 PHE N N 60 121.200 121.200 119.644 1.556 17818 7079 1 14 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.954 0.146 17818 7080 1 14 . 1 1 60 60 PHE CA C 60 56.500 56.500 57.817 -1.317 17818 7081 1 14 . 1 1 60 60 PHE CB C 60 40.900 40.900 40.104 0.796 17818 7082 1 14 . 1 1 60 60 PHE H H 60 8.340 8.340 8.315 0.025 17818 7083 1 14 . 1 1 61 61 ASP N N 61 119.100 119.100 119.500 -0.400 17818 7084 1 14 . 1 1 61 61 ASP CA C 61 54.700 54.700 53.797 0.903 17818 7085 1 14 . 1 1 61 61 ASP CB C 61 44.200 44.200 43.092 1.108 17818 7086 1 14 . 1 1 61 61 ASP H H 61 7.030 7.030 7.070 -0.040 17818 7087 1 14 . 1 1 62 62 SER N N 62 117.400 117.400 119.427 -2.027 17818 7088 1 14 . 1 1 62 62 SER CA C 62 57.000 57.000 57.682 -0.682 17818 7089 1 14 . 1 1 62 62 SER CB C 62 64.800 64.800 64.698 0.102 17818 7090 1 14 . 1 1 62 62 SER H H 62 8.100 8.100 8.345 -0.245 17818 7091 1 14 . 1 1 63 63 SER N N 63 123.600 123.600 122.408 1.192 17818 7092 1 14 . 1 1 63 63 SER HA H 63 4.200 4.200 4.307 -0.107 17818 7093 1 14 . 1 1 63 63 SER CA C 63 61.300 61.300 61.082 0.218 17818 7094 1 14 . 1 1 63 63 SER CB C 63 61.300 61.300 62.865 -1.565 17818 7095 1 14 . 1 1 63 63 SER H H 63 8.070 8.070 8.753 -0.683 17818 7096 1 14 . 1 1 64 64 ARG N N 64 124.000 124.000 120.891 3.109 17818 7097 1 14 . 1 1 64 64 ARG HA H 64 3.620 3.620 3.853 -0.233 17818 7098 1 14 . 1 1 64 64 ARG CA C 64 59.300 59.300 58.940 0.360 17818 7099 1 14 . 1 1 64 64 ARG CB C 64 28.800 28.800 29.567 -0.767 17818 7100 1 14 . 1 1 64 64 ARG H H 64 8.810 8.810 8.651 0.159 17818 7101 1 14 . 1 1 65 65 SER N N 65 114.600 114.600 114.675 -0.075 17818 7102 1 14 . 1 1 65 65 SER HA H 65 4.190 4.190 4.340 -0.150 17818 7103 1 14 . 1 1 65 65 SER CA C 65 60.700 60.700 60.574 0.126 17818 7104 1 14 . 1 1 65 65 SER CB C 65 62.700 62.700 63.196 -0.496 17818 7105 1 14 . 1 1 65 65 SER H H 65 7.800 7.800 7.787 0.013 17818 7106 1 14 . 1 1 66 66 ARG N N 66 118.000 118.000 118.562 -0.562 17818 7107 1 14 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.466 -0.046 17818 7108 1 14 . 1 1 66 66 ARG CA C 66 57.100 57.100 54.825 2.275 17818 7109 1 14 . 1 1 66 66 ARG CB C 66 31.500 31.500 30.541 0.959 17818 7110 1 14 . 1 1 66 66 ARG H H 66 7.110 7.110 7.377 -0.267 17818 7111 1 14 . 1 1 67 67 GLY N N 67 106.700 106.700 108.548 -1.848 17818 7112 1 14 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.758 0.042 17818 7113 1 14 . 1 1 67 67 GLY H H 67 7.800 7.800 7.683 0.117 17818 7114 1 14 . 1 1 68 68 LYS N N 68 117.600 117.600 121.606 -4.006 17818 7115 1 14 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.730 0.280 17818 7116 1 14 . 1 1 68 68 LYS CA C 68 53.100 53.100 53.746 -0.646 17818 7117 1 14 . 1 1 68 68 LYS CB C 68 34.900 34.900 33.410 1.490 17818 7118 1 14 . 1 1 68 68 LYS H H 68 7.440 7.440 7.645 -0.205 17818 7119 1 14 . 1 1 69 69 PRO HA H 69 4.060 4.060 5.206 -1.146 17818 7120 1 14 . 1 1 69 69 PRO CA C 69 62.700 62.700 61.458 1.242 17818 7121 1 14 . 1 1 69 69 PRO CB C 69 32.300 32.300 33.282 -0.982 17818 7122 1 14 . 1 1 70 70 PHE N N 70 123.200 123.200 118.670 4.530 17818 7123 1 14 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.893 0.147 17818 7124 1 14 . 1 1 70 70 PHE CA C 70 57.100 57.100 57.601 -0.501 17818 7125 1 14 . 1 1 70 70 PHE CB C 70 42.900 42.900 43.009 -0.109 17818 7126 1 14 . 1 1 70 70 PHE H H 70 9.180 9.180 8.976 0.204 17818 7127 1 14 . 1 1 71 71 GLN N N 71 126.000 126.000 127.327 -1.327 17818 7128 1 14 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.404 0.346 17818 7129 1 14 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.339 -1.039 17818 7130 1 14 . 1 1 71 71 GLN CB C 71 32.900 32.900 30.588 2.312 17818 7131 1 14 . 1 1 71 71 GLN H H 71 8.020 8.020 8.018 0.002 17818 7132 1 14 . 1 1 72 72 PHE N N 72 116.800 116.800 119.244 -2.444 17818 7133 1 14 . 1 1 72 72 PHE HA H 72 4.700 4.700 4.902 -0.202 17818 7134 1 14 . 1 1 72 72 PHE CA C 72 55.500 55.500 56.336 -0.836 17818 7135 1 14 . 1 1 72 72 PHE CB C 72 40.900 40.900 41.533 -0.633 17818 7136 1 14 . 1 1 72 72 PHE H H 72 8.110 8.110 8.786 -0.676 17818 7137 1 14 . 1 1 73 73 THR N N 73 118.800 118.800 118.374 0.426 17818 7138 1 14 . 1 1 73 73 THR HA H 73 3.960 3.960 4.431 -0.471 17818 7139 1 14 . 1 1 73 73 THR CA C 73 62.600 62.600 63.007 -0.407 17818 7140 1 14 . 1 1 73 73 THR CB C 73 67.500 67.500 68.363 -0.863 17818 7141 1 14 . 1 1 73 73 THR H H 73 9.080 9.080 8.692 0.388 17818 7142 1 14 . 1 1 74 74 LEU N N 74 132.500 132.500 129.642 2.858 17818 7143 1 14 . 1 1 74 74 LEU HA H 74 4.140 4.140 4.269 -0.129 17818 7144 1 14 . 1 1 74 74 LEU CA C 74 56.800 56.800 55.929 0.871 17818 7145 1 14 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.988 -0.188 17818 7146 1 14 . 1 1 74 74 LEU H H 74 8.220 8.220 8.532 -0.312 17818 7147 1 14 . 1 1 75 75 GLY N N 75 118.100 118.100 113.369 4.731 17818 7148 1 14 . 1 1 75 75 GLY CA C 75 46.200 46.200 44.795 1.405 17818 7149 1 14 . 1 1 75 75 GLY H H 75 9.850 9.850 8.285 1.565 17818 7150 1 14 . 1 1 76 76 ALA N N 76 120.600 120.600 124.605 -4.005 17818 7151 1 14 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.729 -0.229 17818 7152 1 14 . 1 1 76 76 ALA CA C 76 51.900 51.900 50.851 1.049 17818 7153 1 14 . 1 1 76 76 ALA CB C 76 20.200 20.200 20.085 0.115 17818 7154 1 14 . 1 1 76 76 ALA H H 76 7.550 7.550 8.150 -0.600 17818 7155 1 14 . 1 1 77 77 GLY N N 77 110.500 110.500 108.713 1.787 17818 7156 1 14 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.447 0.953 17818 7157 1 14 . 1 1 77 77 GLY H H 77 8.790 8.790 8.716 0.074 17818 7158 1 14 . 1 1 78 78 GLU N N 78 119.400 119.400 120.479 -1.079 17818 7159 1 14 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.246 -0.096 17818 7160 1 14 . 1 1 78 78 GLU CA C 78 57.200 57.200 57.119 0.081 17818 7161 1 14 . 1 1 78 78 GLU CB C 78 30.900 30.900 30.102 0.798 17818 7162 1 14 . 1 1 78 78 GLU H H 78 9.240 9.240 8.350 0.890 17818 7163 1 14 . 1 1 79 79 VAL N N 79 108.600 108.600 112.528 -3.928 17818 7164 1 14 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.398 -0.178 17818 7165 1 14 . 1 1 79 79 VAL CA C 79 57.300 57.300 59.674 -2.374 17818 7166 1 14 . 1 1 79 79 VAL CB C 79 35.400 35.400 34.419 0.981 17818 7167 1 14 . 1 1 79 79 VAL H H 79 6.760 6.760 7.301 -0.541 17818 7168 1 14 . 1 1 80 80 ILE N N 80 111.800 111.800 114.127 -2.327 17818 7169 1 14 . 1 1 80 80 ILE HA H 80 3.800 3.800 4.047 -0.247 17818 7170 1 14 . 1 1 80 80 ILE CA C 80 61.800 61.800 60.517 1.283 17818 7171 1 14 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.741 -0.741 17818 7172 1 14 . 1 1 80 80 ILE H H 80 7.300 7.300 7.814 -0.514 17818 7173 1 14 . 1 1 81 81 LYS N N 81 124.700 124.700 124.592 0.108 17818 7174 1 14 . 1 1 81 81 LYS HA H 81 4.160 4.160 4.068 0.092 17818 7175 1 14 . 1 1 81 81 LYS CA C 81 59.700 59.700 59.296 0.404 17818 7176 1 14 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.924 0.876 17818 7177 1 14 . 1 1 81 81 LYS H H 81 8.880 8.880 8.692 0.188 17818 7178 1 14 . 1 1 82 82 GLY N N 82 101.700 101.700 106.183 -4.483 17818 7179 1 14 . 1 1 82 82 GLY CA C 82 47.300 47.300 47.373 -0.073 17818 7180 1 14 . 1 1 82 82 GLY H H 82 9.580 9.580 8.244 1.336 17818 7181 1 14 . 1 1 83 83 TRP N N 83 119.300 119.300 122.240 -2.940 17818 7182 1 14 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.447 -0.437 17818 7183 1 14 . 1 1 83 83 TRP CA C 83 59.300 59.300 56.888 2.412 17818 7184 1 14 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.852 0.248 17818 7185 1 14 . 1 1 83 83 TRP H H 83 7.450 7.450 7.440 0.010 17818 7186 1 14 . 1 1 84 84 ASP N N 84 120.900 120.900 120.662 0.238 17818 7187 1 14 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.392 -0.392 17818 7188 1 14 . 1 1 84 84 ASP CA C 84 58.200 58.200 57.908 0.292 17818 7189 1 14 . 1 1 84 84 ASP CB C 84 41.000 41.000 40.595 0.405 17818 7190 1 14 . 1 1 84 84 ASP H H 84 7.120 7.120 8.501 -1.381 17818 7191 1 14 . 1 1 85 85 GLN N N 85 114.500 114.500 119.725 -5.225 17818 7192 1 14 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.063 -0.063 17818 7193 1 14 . 1 1 85 85 GLN CA C 85 58.200 58.200 58.578 -0.378 17818 7194 1 14 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.910 -0.011 17818 7195 1 14 . 1 1 85 85 GLN H H 85 8.360 8.360 8.386 -0.026 17818 7196 1 14 . 1 1 86 86 GLY N N 86 106.300 106.300 106.723 -0.423 17818 7197 1 14 . 1 1 86 86 GLY CA C 86 47.700 47.700 46.866 0.834 17818 7198 1 14 . 1 1 86 86 GLY H H 86 7.960 7.960 7.852 0.108 17818 7199 1 14 . 1 1 87 87 VAL N N 87 125.300 125.300 116.226 9.074 17818 7200 1 14 . 1 1 87 87 VAL HA H 87 3.630 3.630 3.992 -0.362 17818 7201 1 14 . 1 1 87 87 VAL CA C 87 66.400 66.400 63.992 2.408 17818 7202 1 14 . 1 1 87 87 VAL CB C 87 30.300 30.300 31.939 -1.639 17818 7203 1 14 . 1 1 87 87 VAL H H 87 9.090 9.090 7.935 1.155 17818 7204 1 14 . 1 1 88 88 ALA N N 88 116.500 116.500 122.106 -5.606 17818 7205 1 14 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.180 -0.190 17818 7206 1 14 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.352 -0.052 17818 7207 1 14 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.489 0.111 17818 7208 1 14 . 1 1 88 88 ALA H H 88 6.750 6.750 7.936 -1.186 17818 7209 1 14 . 1 1 89 89 THR N N 89 105.500 105.500 112.571 -7.071 17818 7210 1 14 . 1 1 89 89 THR HA H 89 4.520 4.520 4.385 0.135 17818 7211 1 14 . 1 1 89 89 THR CA C 89 62.300 62.300 62.312 -0.012 17818 7212 1 14 . 1 1 89 89 THR CB C 89 71.100 71.100 68.833 2.267 17818 7213 1 14 . 1 1 89 89 THR H H 89 7.400 7.400 8.012 -0.612 17818 7214 1 14 . 1 1 90 90 MET N N 90 122.400 122.400 117.723 4.677 17818 7215 1 14 . 1 1 90 90 MET CA C 90 56.200 56.200 54.237 1.963 17818 7216 1 14 . 1 1 90 90 MET CB C 90 36.800 36.800 35.949 0.851 17818 7217 1 14 . 1 1 90 90 MET H H 90 7.550 7.550 7.341 0.209 17818 7218 1 14 . 1 1 91 91 THR N N 91 105.200 105.200 109.575 -4.375 17818 7219 1 14 . 1 1 91 91 THR HA H 91 5.120 5.120 4.905 0.215 17818 7220 1 14 . 1 1 91 91 THR CA C 91 59.800 59.800 59.573 0.227 17818 7221 1 14 . 1 1 91 91 THR CB C 91 71.900 71.900 72.293 -0.393 17818 7222 1 14 . 1 1 91 91 THR H H 91 7.350 7.350 8.253 -0.903 17818 7223 1 14 . 1 1 92 92 LEU N N 92 121.200 121.200 122.356 -1.156 17818 7224 1 14 . 1 1 92 92 LEU HA H 92 3.600 3.600 3.839 -0.239 17818 7225 1 14 . 1 1 92 92 LEU CA C 92 58.100 58.100 56.080 2.020 17818 7226 1 14 . 1 1 92 92 LEU CB C 92 43.400 43.400 41.989 1.411 17818 7227 1 14 . 1 1 92 92 LEU H H 92 8.180 8.180 8.234 -0.054 17818 7228 1 14 . 1 1 93 93 GLY N N 93 115.800 115.800 113.870 1.930 17818 7229 1 14 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.240 -0.540 17818 7230 1 14 . 1 1 93 93 GLY H H 93 8.490 8.490 9.024 -0.534 17818 7231 1 14 . 1 1 94 94 GLU N N 94 123.700 123.700 120.996 2.704 17818 7232 1 14 . 1 1 94 94 GLU HA H 94 4.290 4.290 4.950 -0.660 17818 7233 1 14 . 1 1 94 94 GLU CA C 94 56.100 56.100 55.175 0.925 17818 7234 1 14 . 1 1 94 94 GLU CB C 94 33.500 33.500 32.857 0.643 17818 7235 1 14 . 1 1 94 94 GLU H H 94 8.650 8.650 7.730 0.920 17818 7236 1 14 . 1 1 95 95 LYS N N 95 124.200 124.200 124.930 -0.730 17818 7237 1 14 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.363 0.197 17818 7238 1 14 . 1 1 95 95 LYS CA C 95 54.600 54.600 54.823 -0.223 17818 7239 1 14 . 1 1 95 95 LYS CB C 95 35.300 35.300 36.886 -1.586 17818 7240 1 14 . 1 1 95 95 LYS H H 95 8.950 8.950 8.835 0.115 17818 7241 1 14 . 1 1 96 96 ALA N N 96 129.100 129.100 127.012 2.088 17818 7242 1 14 . 1 1 96 96 ALA HA H 96 4.990 4.990 5.229 -0.239 17818 7243 1 14 . 1 1 96 96 ALA CA C 96 50.500 50.500 50.321 0.179 17818 7244 1 14 . 1 1 96 96 ALA CB C 96 23.900 23.900 23.298 0.602 17818 7245 1 14 . 1 1 96 96 ALA H H 96 9.530 9.530 9.102 0.428 17818 7246 1 14 . 1 1 97 97 LEU N N 97 122.200 122.200 122.039 0.161 17818 7247 1 14 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.665 0.515 17818 7248 1 14 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.172 -1.171 17818 7249 1 14 . 1 1 97 97 LEU CB C 97 45.800 45.800 43.013 2.787 17818 7250 1 14 . 1 1 97 97 LEU H H 97 9.100 9.100 8.720 0.380 17818 7251 1 14 . 1 1 98 98 PHE N N 98 125.800 125.800 130.283 -4.483 17818 7252 1 14 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.225 0.475 17818 7253 1 14 . 1 1 98 98 PHE CA C 98 56.500 56.500 56.008 0.492 17818 7254 1 14 . 1 1 98 98 PHE CB C 98 42.300 42.300 42.389 -0.090 17818 7255 1 14 . 1 1 98 98 PHE H H 98 9.940 9.940 9.241 0.699 17818 7256 1 14 . 1 1 99 99 THR N N 99 121.600 121.600 124.856 -3.256 17818 7257 1 14 . 1 1 99 99 THR CA C 99 63.500 63.500 63.510 -0.010 17818 7258 1 14 . 1 1 99 99 THR CB C 99 68.600 68.600 68.546 0.054 17818 7259 1 14 . 1 1 99 99 THR H H 99 9.100 9.100 8.808 0.292 17818 7260 1 14 . 1 1 100 100 ILE N N 100 127.400 127.400 129.144 -1.744 17818 7261 1 14 . 1 1 100 100 ILE CA C 100 58.700 58.700 56.696 2.004 17818 7262 1 14 . 1 1 100 100 ILE CB C 100 39.400 39.400 38.432 0.968 17818 7263 1 14 . 1 1 100 100 ILE H H 100 9.880 9.880 8.906 0.974 17818 7264 1 14 . 1 1 101 101 PRO CA C 101 62.200 62.200 62.635 -0.435 17818 7265 1 14 . 1 1 101 101 PRO CB C 101 32.500 32.500 32.108 0.392 17818 7266 1 14 . 1 1 102 102 TYR N N 102 118.100 118.100 119.812 -1.712 17818 7267 1 14 . 1 1 102 102 TYR HA H 102 4.470 4.470 4.251 0.219 17818 7268 1 14 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.396 0.704 17818 7269 1 14 . 1 1 102 102 TYR CB C 102 37.000 37.000 37.000 -0.000 17818 7270 1 14 . 1 1 102 102 TYR H H 102 8.450 8.450 8.846 -0.396 17818 7271 1 14 . 1 1 103 103 GLN N N 103 123.800 123.800 115.715 8.085 17818 7272 1 14 . 1 1 103 103 GLN HA H 103 4.050 4.050 3.812 0.238 17818 7273 1 14 . 1 1 103 103 GLN CA C 103 59.500 59.500 56.680 2.820 17818 7274 1 14 . 1 1 103 103 GLN CB C 103 27.300 27.300 27.697 -0.397 17818 7275 1 14 . 1 1 103 103 GLN H H 103 9.080 9.080 7.613 1.467 17818 7276 1 14 . 1 1 104 104 LEU N N 104 116.800 116.800 119.708 -2.908 17818 7277 1 14 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.429 0.091 17818 7278 1 14 . 1 1 104 104 LEU CA C 104 53.100 53.100 54.159 -1.059 17818 7279 1 14 . 1 1 104 104 LEU CB C 104 43.400 43.400 42.054 1.346 17818 7280 1 14 . 1 1 104 104 LEU H H 104 7.790 7.790 7.459 0.331 17818 7281 1 14 . 1 1 105 105 ALA N N 105 125.400 125.400 120.078 5.322 17818 7282 1 14 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.437 0.033 17818 7283 1 14 . 1 1 105 105 ALA CA C 105 51.000 51.000 51.603 -0.603 17818 7284 1 14 . 1 1 105 105 ALA CB C 105 18.900 18.900 20.315 -1.415 17818 7285 1 14 . 1 1 105 105 ALA H H 105 7.780 7.780 7.321 0.459 17818 7286 1 14 . 1 1 106 106 TYR N N 106 122.000 122.000 118.150 3.850 17818 7287 1 14 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.441 0.169 17818 7288 1 14 . 1 1 106 106 TYR CA C 106 59.300 59.300 59.110 0.190 17818 7289 1 14 . 1 1 106 106 TYR CB C 106 37.400 37.400 37.974 -0.574 17818 7290 1 14 . 1 1 106 106 TYR H H 106 9.430 9.430 8.550 0.880 17818 7291 1 14 . 1 1 107 107 GLY N N 107 105.500 105.500 107.819 -2.319 17818 7292 1 14 . 1 1 107 107 GLY CA C 107 46.500 46.500 45.892 0.608 17818 7293 1 14 . 1 1 107 107 GLY H H 107 8.490 8.490 7.914 0.576 17818 7294 1 14 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.340 -0.830 17818 7295 1 14 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.819 -0.319 17818 7296 1 14 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.694 -0.094 17818 7297 1 14 . 1 1 109 109 ARG N N 109 115.900 115.900 119.187 -3.287 17818 7298 1 14 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.244 -0.064 17818 7299 1 14 . 1 1 109 109 ARG CA C 109 57.400 57.400 54.998 2.401 17818 7300 1 14 . 1 1 109 109 ARG CB C 109 30.700 30.700 31.332 -0.632 17818 7301 1 14 . 1 1 109 109 ARG H H 109 8.840 8.840 7.670 1.170 17818 7302 1 14 . 1 1 110 110 GLY N N 110 130.700 130.700 106.817 23.883 17818 7303 1 14 . 1 1 110 110 GLY CA C 110 44.800 44.800 45.207 -0.407 17818 7304 1 14 . 1 1 110 110 GLY H H 110 7.140 7.140 8.170 -1.030 17818 7305 1 14 . 1 1 111 111 TYR N N 111 119.700 119.700 122.415 -2.715 17818 7306 1 14 . 1 1 111 111 TYR CA C 111 54.500 54.500 59.056 -4.556 17818 7307 1 14 . 1 1 111 111 TYR CB C 111 38.600 38.600 38.405 0.195 17818 7308 1 14 . 1 1 111 111 TYR H H 111 8.570 8.570 8.546 0.024 17818 7309 1 14 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.500 -0.700 17818 7310 1 14 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.529 2.771 17818 7311 1 14 . 1 1 114 114 VAL N N 114 122.900 122.900 111.551 11.349 17818 7312 1 14 . 1 1 114 114 VAL HA H 114 3.850 3.850 4.031 -0.181 17818 7313 1 14 . 1 1 114 114 VAL CA C 114 65.600 65.600 64.055 1.545 17818 7314 1 14 . 1 1 114 114 VAL CB C 114 33.000 33.000 31.985 1.015 17818 7315 1 14 . 1 1 114 114 VAL H H 114 7.870 7.870 7.899 -0.029 17818 7316 1 14 . 1 1 115 115 ILE N N 115 118.100 118.100 122.901 -4.801 17818 7317 1 14 . 1 1 115 115 ILE CA C 115 56.300 56.300 57.323 -1.023 17818 7318 1 14 . 1 1 115 115 ILE CB C 115 37.700 37.700 37.686 0.014 17818 7319 1 14 . 1 1 115 115 ILE H H 115 7.550 7.550 7.972 -0.422 17818 7320 1 14 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.465 -0.845 17818 7321 1 14 . 1 1 117 117 PRO CA C 117 63.400 63.400 63.074 0.326 17818 7322 1 14 . 1 1 117 117 PRO CB C 117 32.800 32.800 32.301 0.499 17818 7323 1 14 . 1 1 118 118 LYS N N 118 115.100 115.100 116.169 -1.069 17818 7324 1 14 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.823 -1.243 17818 7325 1 14 . 1 1 118 118 LYS CA C 118 57.900 57.900 57.461 0.439 17818 7326 1 14 . 1 1 118 118 LYS CB C 118 29.700 29.700 30.346 -0.646 17818 7327 1 14 . 1 1 118 118 LYS H H 118 7.330 7.330 8.520 -1.190 17818 7328 1 14 . 1 1 119 119 ALA N N 119 121.900 121.900 121.909 -0.009 17818 7329 1 14 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.453 -0.003 17818 7330 1 14 . 1 1 119 119 ALA CA C 119 52.700 52.700 52.005 0.695 17818 7331 1 14 . 1 1 119 119 ALA CB C 119 20.100 20.100 19.773 0.327 17818 7332 1 14 . 1 1 119 119 ALA H H 119 7.900 7.900 7.793 0.107 17818 7333 1 14 . 1 1 120 120 THR N N 120 121.800 121.800 120.286 1.514 17818 7334 1 14 . 1 1 120 120 THR CA C 120 63.100 63.100 63.142 -0.042 17818 7335 1 14 . 1 1 120 120 THR CB C 120 69.800 69.800 69.688 0.113 17818 7336 1 14 . 1 1 120 120 THR H H 120 8.170 8.170 8.472 -0.302 17818 7337 1 14 . 1 1 121 121 LEU N N 121 124.200 124.200 128.157 -3.957 17818 7338 1 14 . 1 1 121 121 LEU CA C 121 53.100 53.100 53.128 -0.028 17818 7339 1 14 . 1 1 121 121 LEU CB C 121 46.300 46.300 46.023 0.277 17818 7340 1 14 . 1 1 121 121 LEU H H 121 8.640 8.640 9.003 -0.363 17818 7341 1 14 . 1 1 122 122 VAL N N 122 122.200 122.200 125.195 -2.995 17818 7342 1 14 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.579 0.711 17818 7343 1 14 . 1 1 122 122 VAL CA C 122 60.700 60.700 61.652 -0.952 17818 7344 1 14 . 1 1 122 122 VAL CB C 122 33.300 33.300 32.395 0.905 17818 7345 1 14 . 1 1 122 122 VAL H H 122 8.860 8.860 8.639 0.221 17818 7346 1 14 . 1 1 123 123 PHE N N 123 122.900 122.900 127.657 -4.757 17818 7347 1 14 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.491 -0.091 17818 7348 1 14 . 1 1 123 123 PHE CA C 123 55.400 55.400 55.904 -0.504 17818 7349 1 14 . 1 1 123 123 PHE CB C 123 44.000 44.000 41.702 2.298 17818 7350 1 14 . 1 1 123 123 PHE H H 123 9.620 9.620 9.486 0.134 17818 7351 1 14 . 1 1 124 124 GLU N N 124 125.500 125.500 125.208 0.292 17818 7352 1 14 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.795 1.105 17818 7353 1 14 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.632 -1.032 17818 7354 1 14 . 1 1 124 124 GLU CB C 124 31.800 31.800 30.004 1.796 17818 7355 1 14 . 1 1 124 124 GLU H H 124 9.180 9.180 8.769 0.411 17818 7356 1 14 . 1 1 125 125 VAL N N 125 128.100 128.100 120.952 7.148 17818 7357 1 14 . 1 1 125 125 VAL CA C 125 61.300 61.300 59.226 2.074 17818 7358 1 14 . 1 1 125 125 VAL CB C 125 35.800 35.800 33.404 2.396 17818 7359 1 14 . 1 1 125 125 VAL H H 125 9.600 9.600 8.836 0.764 17818 7360 1 14 . 1 1 126 126 GLU N N 126 128.500 128.500 126.075 2.425 17818 7361 1 14 . 1 1 126 126 GLU HA H 126 5.630 5.630 5.103 0.527 17818 7362 1 14 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.350 -0.850 17818 7363 1 14 . 1 1 126 126 GLU CB C 126 34.000 34.000 34.244 -0.244 17818 7364 1 14 . 1 1 126 126 GLU H H 126 9.420 9.420 8.737 0.683 17818 7365 1 14 . 1 1 127 127 LEU N N 127 127.900 127.900 127.959 -0.059 17818 7366 1 14 . 1 1 127 127 LEU CA C 127 55.100 55.100 53.766 1.334 17818 7367 1 14 . 1 1 127 127 LEU CB C 127 41.400 41.400 42.049 -0.649 17818 7368 1 14 . 1 1 127 127 LEU H H 127 8.720 8.720 8.884 -0.164 17818 7369 1 14 . 1 1 128 128 LEU N N 128 128.700 128.700 128.114 0.586 17818 7370 1 14 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.500 -0.100 17818 7371 1 14 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.468 0.432 17818 7372 1 14 . 1 1 128 128 LEU CB C 128 43.700 43.700 42.025 1.675 17818 7373 1 14 . 1 1 128 128 LEU H H 128 8.690 8.690 8.725 -0.035 17818 7374 1 14 . 1 1 129 129 ALA N N 129 118.600 118.600 118.223 0.377 17818 7375 1 14 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.549 -0.089 17818 7376 1 14 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.198 1.602 17818 7377 1 14 . 1 1 129 129 ALA CB C 129 21.100 21.100 21.978 -0.878 17818 7378 1 14 . 1 1 129 129 ALA H H 129 7.810 7.810 7.985 -0.175 17818 7379 1 15 . 1 1 8 8 HIS CA C 8 54.700 54.700 57.614 -2.914 17818 7380 1 15 . 1 1 8 8 HIS CB C 8 31.200 31.200 30.377 0.823 17818 7381 1 15 . 1 1 9 9 MET N N 9 120.000 120.000 117.542 2.458 17818 7382 1 15 . 1 1 9 9 MET HA H 9 4.280 4.280 4.673 -0.393 17818 7383 1 15 . 1 1 9 9 MET CA C 9 55.500 55.500 54.719 0.781 17818 7384 1 15 . 1 1 9 9 MET CB C 9 32.500 32.500 35.178 -2.678 17818 7385 1 15 . 1 1 9 9 MET H H 9 8.110 8.110 7.491 0.619 17818 7386 1 15 . 1 1 10 10 GLY N N 10 109.800 109.800 108.751 1.049 17818 7387 1 15 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.410 0.890 17818 7388 1 15 . 1 1 10 10 GLY H H 10 8.440 8.440 8.403 0.037 17818 7389 1 15 . 1 1 11 11 THR N N 11 113.600 113.600 114.585 -0.985 17818 7390 1 15 . 1 1 11 11 THR HA H 11 4.330 4.330 4.388 -0.058 17818 7391 1 15 . 1 1 11 11 THR CA C 11 62.000 62.000 61.298 0.702 17818 7392 1 15 . 1 1 11 11 THR CB C 11 69.900 69.900 68.813 1.087 17818 7393 1 15 . 1 1 11 11 THR H H 11 8.070 8.070 8.142 -0.072 17818 7394 1 15 . 1 1 12 12 LEU N N 12 124.200 124.200 121.746 2.454 17818 7395 1 15 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.400 -0.080 17818 7396 1 15 . 1 1 12 12 LEU CA C 12 55.500 55.500 55.424 0.076 17818 7397 1 15 . 1 1 12 12 LEU CB C 12 42.100 42.100 41.703 0.397 17818 7398 1 15 . 1 1 12 12 LEU H H 12 8.380 8.380 7.742 0.638 17818 7399 1 15 . 1 1 13 13 GLU N N 13 121.600 121.600 124.800 -3.200 17818 7400 1 15 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.328 -0.128 17818 7401 1 15 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.941 0.959 17818 7402 1 15 . 1 1 13 13 GLU CB C 13 30.000 30.000 30.439 -0.439 17818 7403 1 15 . 1 1 13 13 GLU H H 13 8.430 8.430 8.480 -0.050 17818 7404 1 15 . 1 1 14 14 ALA N N 14 124.400 124.400 122.281 2.119 17818 7405 1 15 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.438 -0.168 17818 7406 1 15 . 1 1 14 14 ALA CA C 14 52.700 52.700 51.575 1.125 17818 7407 1 15 . 1 1 14 14 ALA CB C 14 19.100 19.100 20.081 -0.981 17818 7408 1 15 . 1 1 14 14 ALA H H 14 8.290 8.290 7.937 0.353 17818 7409 1 15 . 1 1 15 15 GLN N N 15 119.100 119.100 120.021 -0.921 17818 7410 1 15 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.416 -0.026 17818 7411 1 15 . 1 1 15 15 GLN CA C 15 56.000 56.000 55.945 0.055 17818 7412 1 15 . 1 1 15 15 GLN CB C 15 29.400 29.400 29.193 0.207 17818 7413 1 15 . 1 1 15 15 GLN H H 15 8.370 8.370 8.207 0.163 17818 7414 1 15 . 1 1 16 16 THR N N 16 114.900 114.900 117.592 -2.692 17818 7415 1 15 . 1 1 16 16 THR CA C 16 62.100 62.100 61.916 0.184 17818 7416 1 15 . 1 1 16 16 THR CB C 16 69.800 69.800 69.475 0.325 17818 7417 1 15 . 1 1 16 16 THR H H 16 8.200 8.200 8.278 -0.078 17818 7418 1 15 . 1 1 17 17 GLN N N 17 122.200 122.200 121.478 0.722 17818 7419 1 15 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.714 -0.284 17818 7420 1 15 . 1 1 17 17 GLN CA C 17 55.600 55.600 55.428 0.172 17818 7421 1 15 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.617 0.083 17818 7422 1 15 . 1 1 17 17 GLN H H 17 8.420 8.420 8.951 -0.531 17818 7423 1 15 . 1 1 18 18 GLY N N 18 110.100 110.100 111.285 -1.185 17818 7424 1 15 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.610 -0.010 17818 7425 1 15 . 1 1 18 18 GLY H H 18 8.360 8.360 8.484 -0.124 17818 7426 1 15 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.668 -0.228 17818 7427 1 15 . 1 1 19 19 PRO CA C 19 63.600 63.600 62.318 1.282 17818 7428 1 15 . 1 1 19 19 PRO CB C 19 32.000 32.000 30.517 1.482 17818 7429 1 15 . 1 1 20 20 GLY N N 20 109.400 109.400 109.957 -0.557 17818 7430 1 15 . 1 1 20 20 GLY CA C 20 45.300 45.300 44.736 0.564 17818 7431 1 15 . 1 1 20 20 GLY H H 20 8.630 8.630 8.251 0.379 17818 7432 1 15 . 1 1 21 21 SER N N 21 115.400 115.400 123.336 -7.936 17818 7433 1 15 . 1 1 21 21 SER CA C 21 63.800 63.800 59.154 4.646 17818 7434 1 15 . 1 1 21 21 SER CB C 21 69.800 69.800 62.278 7.522 17818 7435 1 15 . 1 1 21 21 SER H H 21 4.180 4.180 8.633 -4.453 17818 7436 1 15 . 1 1 22 22 MET N N 22 121.900 121.900 120.866 1.034 17818 7437 1 15 . 1 1 22 22 MET CA C 22 55.500 55.500 55.107 0.393 17818 7438 1 15 . 1 1 22 22 MET CB C 22 32.800 32.800 33.703 -0.903 17818 7439 1 15 . 1 1 22 22 MET H H 22 8.440 8.440 8.170 0.270 17818 7440 1 15 . 1 1 23 23 SER N N 23 116.600 116.600 113.155 3.445 17818 7441 1 15 . 1 1 23 23 SER HA H 23 4.400 4.400 4.797 -0.397 17818 7442 1 15 . 1 1 23 23 SER CA C 23 58.300 58.300 57.207 1.093 17818 7443 1 15 . 1 1 23 23 SER CB C 23 63.700 63.700 65.562 -1.862 17818 7444 1 15 . 1 1 23 23 SER H H 23 8.290 8.290 7.498 0.792 17818 7445 1 15 . 1 1 24 24 ALA N N 24 125.700 125.700 124.874 0.826 17818 7446 1 15 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.399 -0.109 17818 7447 1 15 . 1 1 24 24 ALA CA C 24 52.100 52.100 52.068 0.032 17818 7448 1 15 . 1 1 24 24 ALA CB C 24 19.300 19.300 18.151 1.149 17818 7449 1 15 . 1 1 24 24 ALA H H 24 8.200 8.200 8.493 -0.293 17818 7450 1 15 . 1 1 25 25 GLN N N 25 118.300 118.300 122.592 -4.292 17818 7451 1 15 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.384 0.126 17818 7452 1 15 . 1 1 25 25 GLN CA C 25 54.200 54.200 55.290 -1.090 17818 7453 1 15 . 1 1 25 25 GLN CB C 25 31.300 31.300 30.219 1.081 17818 7454 1 15 . 1 1 25 25 GLN H H 25 8.280 8.280 8.075 0.205 17818 7455 1 15 . 1 1 26 26 LEU N N 26 122.100 122.100 122.691 -0.591 17818 7456 1 15 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.513 -0.053 17818 7457 1 15 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.516 0.784 17818 7458 1 15 . 1 1 26 26 LEU CB C 26 43.500 43.500 44.135 -0.635 17818 7459 1 15 . 1 1 26 26 LEU H H 26 8.480 8.480 8.265 0.215 17818 7460 1 15 . 1 1 27 27 GLU N N 27 125.300 125.300 126.376 -1.076 17818 7461 1 15 . 1 1 27 27 GLU CA C 27 55.300 55.300 54.962 0.338 17818 7462 1 15 . 1 1 27 27 GLU CB C 27 32.400 32.400 30.860 1.540 17818 7463 1 15 . 1 1 27 27 GLU H H 27 8.240 8.240 8.460 -0.220 17818 7464 1 15 . 1 1 28 28 LYS N N 28 125.000 125.000 124.464 0.536 17818 7465 1 15 . 1 1 28 28 LYS HA H 28 4.610 4.610 4.918 -0.308 17818 7466 1 15 . 1 1 28 28 LYS CA C 28 54.500 54.500 54.644 -0.144 17818 7467 1 15 . 1 1 28 28 LYS CB C 28 35.700 35.700 32.645 3.055 17818 7468 1 15 . 1 1 28 28 LYS H H 28 8.810 8.810 8.589 0.221 17818 7469 1 15 . 1 1 29 29 LYS N N 29 128.100 128.100 126.192 1.908 17818 7470 1 15 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.482 0.548 17818 7471 1 15 . 1 1 29 29 LYS CA C 29 55.000 55.000 54.373 0.627 17818 7472 1 15 . 1 1 29 29 LYS CB C 29 36.200 36.200 34.047 2.152 17818 7473 1 15 . 1 1 29 29 LYS H H 29 8.850 8.850 8.701 0.149 17818 7474 1 15 . 1 1 30 30 VAL N N 30 127.200 127.200 128.017 -0.817 17818 7475 1 15 . 1 1 30 30 VAL HA H 30 3.660 3.660 3.982 -0.322 17818 7476 1 15 . 1 1 30 30 VAL CA C 30 64.800 64.800 63.754 1.046 17818 7477 1 15 . 1 1 30 30 VAL CB C 30 31.600 31.600 31.381 0.219 17818 7478 1 15 . 1 1 30 30 VAL H H 30 9.170 9.170 8.843 0.327 17818 7479 1 15 . 1 1 31 31 LEU N N 31 129.800 129.800 129.398 0.402 17818 7480 1 15 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.518 -0.078 17818 7481 1 15 . 1 1 31 31 LEU CA C 31 56.000 56.000 55.673 0.327 17818 7482 1 15 . 1 1 31 31 LEU CB C 31 41.800 41.800 42.853 -1.053 17818 7483 1 15 . 1 1 31 31 LEU H H 31 9.020 9.020 8.584 0.436 17818 7484 1 15 . 1 1 32 32 THR N N 32 115.700 115.700 115.505 0.195 17818 7485 1 15 . 1 1 32 32 THR CA C 32 59.300 59.300 60.385 -1.085 17818 7486 1 15 . 1 1 32 32 THR CB C 32 72.500 72.500 70.645 1.855 17818 7487 1 15 . 1 1 32 32 THR H H 32 8.220 8.220 8.149 0.071 17818 7488 1 15 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.489 -0.199 17818 7489 1 15 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.798 0.202 17818 7490 1 15 . 1 1 33 33 PRO CB C 33 32.400 32.400 31.884 0.516 17818 7491 1 15 . 1 1 34 34 GLY N N 34 109.400 109.400 112.688 -3.288 17818 7492 1 15 . 1 1 34 34 GLY CA C 34 44.200 44.200 43.513 0.687 17818 7493 1 15 . 1 1 34 34 GLY H H 34 9.010 9.010 8.541 0.469 17818 7494 1 15 . 1 1 35 35 ASP N N 35 119.400 119.400 119.664 -0.264 17818 7495 1 15 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.345 -0.015 17818 7496 1 15 . 1 1 35 35 ASP CA C 35 54.700 54.700 56.680 -1.980 17818 7497 1 15 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.170 -1.770 17818 7498 1 15 . 1 1 35 35 ASP H H 35 8.370 8.370 8.189 0.181 17818 7499 1 15 . 1 1 36 36 GLY N N 36 107.900 107.900 106.857 1.043 17818 7500 1 15 . 1 1 36 36 GLY CA C 36 46.000 46.000 45.472 0.528 17818 7501 1 15 . 1 1 36 36 GLY H H 36 8.750 8.750 8.007 0.743 17818 7502 1 15 . 1 1 37 37 VAL N N 37 116.200 116.200 117.192 -0.992 17818 7503 1 15 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.491 0.009 17818 7504 1 15 . 1 1 37 37 VAL CA C 37 62.500 62.500 62.321 0.179 17818 7505 1 15 . 1 1 37 37 VAL CB C 37 35.900 35.900 32.971 2.929 17818 7506 1 15 . 1 1 37 37 VAL H H 37 8.590 8.590 7.911 0.679 17818 7507 1 15 . 1 1 38 38 THR N N 38 126.400 126.400 120.909 5.491 17818 7508 1 15 . 1 1 38 38 THR HA H 38 4.210 4.210 4.521 -0.311 17818 7509 1 15 . 1 1 38 38 THR CA C 38 63.300 63.300 62.344 0.956 17818 7510 1 15 . 1 1 38 38 THR CB C 38 65.800 65.800 69.531 -3.731 17818 7511 1 15 . 1 1 38 38 THR H H 38 10.650 10.650 8.387 2.263 17818 7512 1 15 . 1 1 39 39 LYS N N 39 127.000 127.000 127.713 -0.713 17818 7513 1 15 . 1 1 39 39 LYS CA C 39 53.400 53.400 53.728 -0.328 17818 7514 1 15 . 1 1 39 39 LYS CB C 39 33.200 33.200 33.303 -0.103 17818 7515 1 15 . 1 1 39 39 LYS H H 39 8.390 8.390 8.521 -0.131 17818 7516 1 15 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.778 -0.578 17818 7517 1 15 . 1 1 40 40 PRO CB C 40 33.300 33.300 32.801 0.499 17818 7518 1 15 . 1 1 41 41 GLN N N 41 120.900 120.900 117.301 3.599 17818 7519 1 15 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.566 -0.106 17818 7520 1 15 . 1 1 41 41 GLN CA C 41 53.700 53.700 53.950 -0.250 17818 7521 1 15 . 1 1 41 41 GLN CB C 41 31.500 31.500 30.836 0.664 17818 7522 1 15 . 1 1 41 41 GLN H H 41 8.750 8.750 8.041 0.709 17818 7523 1 15 . 1 1 42 42 ALA N N 42 125.700 125.700 121.553 4.147 17818 7524 1 15 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.196 -0.416 17818 7525 1 15 . 1 1 42 42 ALA CA C 42 53.400 53.400 52.039 1.361 17818 7526 1 15 . 1 1 42 42 ALA CB C 42 17.800 17.800 19.018 -1.218 17818 7527 1 15 . 1 1 42 42 ALA H H 42 8.550 8.550 8.303 0.247 17818 7528 1 15 . 1 1 43 43 GLY N N 43 109.700 109.700 108.643 1.057 17818 7529 1 15 . 1 1 43 43 GLY CA C 43 45.200 45.200 45.177 0.023 17818 7530 1 15 . 1 1 43 43 GLY H H 43 8.970 8.970 8.711 0.259 17818 7531 1 15 . 1 1 44 44 LYS N N 44 120.300 120.300 120.432 -0.132 17818 7532 1 15 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.549 0.121 17818 7533 1 15 . 1 1 44 44 LYS CA C 44 53.800 53.800 53.855 -0.055 17818 7534 1 15 . 1 1 44 44 LYS CB C 44 34.100 34.100 34.798 -0.698 17818 7535 1 15 . 1 1 44 44 LYS H H 44 7.920 7.920 7.403 0.517 17818 7536 1 15 . 1 1 45 45 LYS N N 45 120.800 120.800 126.843 -6.043 17818 7537 1 15 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.291 0.229 17818 7538 1 15 . 1 1 45 45 LYS CA C 45 56.300 56.300 56.115 0.185 17818 7539 1 15 . 1 1 45 45 LYS CB C 45 32.900 32.900 31.590 1.310 17818 7540 1 15 . 1 1 45 45 LYS H H 45 8.340 8.340 8.556 -0.216 17818 7541 1 15 . 1 1 46 46 VAL N N 46 117.600 117.600 123.353 -5.753 17818 7542 1 15 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.471 0.089 17818 7543 1 15 . 1 1 46 46 VAL CA C 46 58.900 58.900 58.891 0.009 17818 7544 1 15 . 1 1 46 46 VAL CB C 46 33.900 33.900 34.137 -0.237 17818 7545 1 15 . 1 1 46 46 VAL H H 46 8.560 8.560 8.687 -0.127 17818 7546 1 15 . 1 1 47 47 THR N N 47 115.600 115.600 121.625 -6.025 17818 7547 1 15 . 1 1 47 47 THR HA H 47 5.100 5.100 4.893 0.207 17818 7548 1 15 . 1 1 47 47 THR CA C 47 61.600 61.600 62.648 -1.048 17818 7549 1 15 . 1 1 47 47 THR CB C 47 69.800 69.800 68.528 1.272 17818 7550 1 15 . 1 1 47 47 THR H H 47 8.130 8.130 8.527 -0.397 17818 7551 1 15 . 1 1 48 48 VAL N N 48 118.100 118.100 121.541 -3.441 17818 7552 1 15 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.314 0.476 17818 7553 1 15 . 1 1 48 48 VAL CA C 48 58.000 58.000 59.073 -1.073 17818 7554 1 15 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.588 -0.088 17818 7555 1 15 . 1 1 48 48 VAL H H 48 9.740 9.740 9.181 0.559 17818 7556 1 15 . 1 1 49 49 HIS N N 49 119.000 119.000 118.692 0.308 17818 7557 1 15 . 1 1 49 49 HIS HA H 49 5.810 5.810 5.181 0.629 17818 7558 1 15 . 1 1 49 49 HIS CA C 49 54.600 54.600 53.987 0.613 17818 7559 1 15 . 1 1 49 49 HIS CB C 49 35.600 35.600 33.806 1.794 17818 7560 1 15 . 1 1 49 49 HIS H H 49 8.630 8.630 8.554 0.076 17818 7561 1 15 . 1 1 50 50 TYR N N 50 116.800 116.800 123.142 -6.342 17818 7562 1 15 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.367 0.863 17818 7563 1 15 . 1 1 50 50 TYR CA C 50 56.000 56.000 56.329 -0.329 17818 7564 1 15 . 1 1 50 50 TYR CB C 50 43.500 43.500 41.758 1.742 17818 7565 1 15 . 1 1 50 50 TYR H H 50 9.870 9.870 9.404 0.466 17818 7566 1 15 . 1 1 51 51 ASP N N 51 120.400 120.400 120.039 0.361 17818 7567 1 15 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.889 0.061 17818 7568 1 15 . 1 1 51 51 ASP CA C 51 54.400 54.400 53.409 0.991 17818 7569 1 15 . 1 1 51 51 ASP CB C 51 44.900 44.900 45.970 -1.070 17818 7570 1 15 . 1 1 51 51 ASP H H 51 8.840 8.840 8.658 0.182 17818 7571 1 15 . 1 1 52 52 GLY N N 52 112.500 112.500 107.825 4.675 17818 7572 1 15 . 1 1 52 52 GLY CA C 52 45.300 45.300 43.514 1.786 17818 7573 1 15 . 1 1 52 52 GLY H H 52 9.130 9.130 7.849 1.281 17818 7574 1 15 . 1 1 53 53 ARG N N 53 125.200 125.200 124.880 0.320 17818 7575 1 15 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.756 0.274 17818 7576 1 15 . 1 1 53 53 ARG CA C 53 53.900 53.900 54.357 -0.457 17818 7577 1 15 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.435 0.365 17818 7578 1 15 . 1 1 53 53 ARG H H 53 9.370 9.370 8.741 0.629 17818 7579 1 15 . 1 1 54 54 PHE N N 54 119.400 119.400 123.453 -4.053 17818 7580 1 15 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.936 -0.696 17818 7581 1 15 . 1 1 54 54 PHE CA C 54 57.300 57.300 56.621 0.679 17818 7582 1 15 . 1 1 54 54 PHE CB C 54 37.700 37.700 38.646 -0.946 17818 7583 1 15 . 1 1 54 54 PHE H H 54 8.770 8.770 9.006 -0.236 17818 7584 1 15 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.296 -0.016 17818 7585 1 15 . 1 1 55 55 PRO CA C 55 65.700 65.700 64.822 0.878 17818 7586 1 15 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.421 0.379 17818 7587 1 15 . 1 1 56 56 ASP N N 56 113.600 113.600 117.050 -3.450 17818 7588 1 15 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.585 -0.115 17818 7589 1 15 . 1 1 56 56 ASP CA C 56 53.900 53.900 54.300 -0.400 17818 7590 1 15 . 1 1 56 56 ASP CB C 56 39.800 39.800 40.646 -0.846 17818 7591 1 15 . 1 1 56 56 ASP H H 56 7.780 7.780 8.195 -0.415 17818 7592 1 15 . 1 1 57 57 GLY N N 57 108.700 108.700 108.481 0.219 17818 7593 1 15 . 1 1 57 57 GLY CA C 57 44.900 44.900 44.965 -0.065 17818 7594 1 15 . 1 1 57 57 GLY H H 57 8.440 8.440 7.990 0.450 17818 7595 1 15 . 1 1 58 58 LYS N N 58 122.800 122.800 123.268 -0.468 17818 7596 1 15 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.398 -0.148 17818 7597 1 15 . 1 1 58 58 LYS CA C 58 57.500 57.500 56.356 1.144 17818 7598 1 15 . 1 1 58 58 LYS CB C 58 32.600 32.600 32.822 -0.222 17818 7599 1 15 . 1 1 58 58 LYS H H 58 8.230 8.230 8.069 0.161 17818 7600 1 15 . 1 1 59 59 GLN N N 59 125.800 125.800 125.195 0.605 17818 7601 1 15 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.402 0.048 17818 7602 1 15 . 1 1 59 59 GLN CA C 59 56.300 56.300 55.961 0.340 17818 7603 1 15 . 1 1 59 59 GLN CB C 59 30.900 30.900 29.230 1.670 17818 7604 1 15 . 1 1 59 59 GLN H H 59 8.810 8.810 8.676 0.134 17818 7605 1 15 . 1 1 60 60 PHE N N 60 121.200 121.200 119.851 1.349 17818 7606 1 15 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.792 0.308 17818 7607 1 15 . 1 1 60 60 PHE CA C 60 56.500 56.500 58.040 -1.540 17818 7608 1 15 . 1 1 60 60 PHE CB C 60 40.900 40.900 39.777 1.123 17818 7609 1 15 . 1 1 60 60 PHE H H 60 8.340 8.340 7.873 0.467 17818 7610 1 15 . 1 1 61 61 ASP N N 61 119.100 119.100 119.645 -0.545 17818 7611 1 15 . 1 1 61 61 ASP CA C 61 54.700 54.700 53.951 0.749 17818 7612 1 15 . 1 1 61 61 ASP CB C 61 44.200 44.200 43.529 0.671 17818 7613 1 15 . 1 1 61 61 ASP H H 61 7.030 7.030 7.049 -0.019 17818 7614 1 15 . 1 1 62 62 SER N N 62 117.400 117.400 118.945 -1.545 17818 7615 1 15 . 1 1 62 62 SER CA C 62 57.000 57.000 57.610 -0.610 17818 7616 1 15 . 1 1 62 62 SER CB C 62 64.800 64.800 65.027 -0.227 17818 7617 1 15 . 1 1 62 62 SER H H 62 8.100 8.100 8.437 -0.337 17818 7618 1 15 . 1 1 63 63 SER N N 63 123.600 123.600 122.463 1.137 17818 7619 1 15 . 1 1 63 63 SER HA H 63 4.200 4.200 4.319 -0.119 17818 7620 1 15 . 1 1 63 63 SER CA C 63 61.300 61.300 62.181 -0.881 17818 7621 1 15 . 1 1 63 63 SER CB C 63 61.300 61.300 63.686 -2.386 17818 7622 1 15 . 1 1 63 63 SER H H 63 8.070 8.070 8.854 -0.784 17818 7623 1 15 . 1 1 64 64 ARG N N 64 124.000 124.000 120.764 3.236 17818 7624 1 15 . 1 1 64 64 ARG HA H 64 3.620 3.620 3.866 -0.246 17818 7625 1 15 . 1 1 64 64 ARG CA C 64 59.300 59.300 59.507 -0.207 17818 7626 1 15 . 1 1 64 64 ARG CB C 64 28.800 28.800 29.944 -1.144 17818 7627 1 15 . 1 1 64 64 ARG H H 64 8.810 8.810 8.683 0.127 17818 7628 1 15 . 1 1 65 65 SER N N 65 114.600 114.600 113.749 0.851 17818 7629 1 15 . 1 1 65 65 SER HA H 65 4.190 4.190 4.328 -0.138 17818 7630 1 15 . 1 1 65 65 SER CA C 65 60.700 60.700 59.932 0.768 17818 7631 1 15 . 1 1 65 65 SER CB C 65 62.700 62.700 62.688 0.012 17818 7632 1 15 . 1 1 65 65 SER H H 65 7.800 7.800 8.452 -0.652 17818 7633 1 15 . 1 1 66 66 ARG N N 66 118.000 118.000 118.918 -0.918 17818 7634 1 15 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.316 0.104 17818 7635 1 15 . 1 1 66 66 ARG CA C 66 57.100 57.100 56.241 0.859 17818 7636 1 15 . 1 1 66 66 ARG CB C 66 31.500 31.500 30.640 0.860 17818 7637 1 15 . 1 1 66 66 ARG H H 66 7.110 7.110 7.256 -0.146 17818 7638 1 15 . 1 1 67 67 GLY N N 67 106.700 106.700 107.253 -0.553 17818 7639 1 15 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.157 0.643 17818 7640 1 15 . 1 1 67 67 GLY H H 67 7.800 7.800 7.698 0.102 17818 7641 1 15 . 1 1 68 68 LYS N N 68 117.600 117.600 121.603 -4.003 17818 7642 1 15 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.683 0.327 17818 7643 1 15 . 1 1 68 68 LYS CA C 68 53.100 53.100 52.332 0.768 17818 7644 1 15 . 1 1 68 68 LYS CB C 68 34.900 34.900 33.487 1.413 17818 7645 1 15 . 1 1 68 68 LYS H H 68 7.440 7.440 7.441 -0.001 17818 7646 1 15 . 1 1 69 69 PRO HA H 69 4.060 4.060 4.278 -0.218 17818 7647 1 15 . 1 1 69 69 PRO CA C 69 62.700 62.700 61.925 0.775 17818 7648 1 15 . 1 1 69 69 PRO CB C 69 32.300 32.300 32.374 -0.074 17818 7649 1 15 . 1 1 70 70 PHE N N 70 123.200 123.200 116.353 6.847 17818 7650 1 15 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.945 0.095 17818 7651 1 15 . 1 1 70 70 PHE CA C 70 57.100 57.100 57.238 -0.138 17818 7652 1 15 . 1 1 70 70 PHE CB C 70 42.900 42.900 44.013 -1.113 17818 7653 1 15 . 1 1 70 70 PHE H H 70 9.180 9.180 8.867 0.313 17818 7654 1 15 . 1 1 71 71 GLN N N 71 126.000 126.000 118.430 7.570 17818 7655 1 15 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.555 0.195 17818 7656 1 15 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.979 -1.679 17818 7657 1 15 . 1 1 71 71 GLN CB C 71 32.900 32.900 32.586 0.314 17818 7658 1 15 . 1 1 71 71 GLN H H 71 8.020 8.020 8.611 -0.591 17818 7659 1 15 . 1 1 72 72 PHE N N 72 116.800 116.800 119.314 -2.514 17818 7660 1 15 . 1 1 72 72 PHE HA H 72 4.700 4.700 5.223 -0.523 17818 7661 1 15 . 1 1 72 72 PHE CA C 72 55.500 55.500 56.519 -1.019 17818 7662 1 15 . 1 1 72 72 PHE CB C 72 40.900 40.900 41.578 -0.678 17818 7663 1 15 . 1 1 72 72 PHE H H 72 8.110 8.110 9.172 -1.062 17818 7664 1 15 . 1 1 73 73 THR N N 73 118.800 118.800 118.193 0.607 17818 7665 1 15 . 1 1 73 73 THR HA H 73 3.960 3.960 4.537 -0.577 17818 7666 1 15 . 1 1 73 73 THR CA C 73 62.600 62.600 62.852 -0.252 17818 7667 1 15 . 1 1 73 73 THR CB C 73 67.500 67.500 68.608 -1.108 17818 7668 1 15 . 1 1 73 73 THR H H 73 9.080 9.080 9.064 0.016 17818 7669 1 15 . 1 1 74 74 LEU N N 74 132.500 132.500 128.748 3.752 17818 7670 1 15 . 1 1 74 74 LEU HA H 74 4.140 4.140 4.063 0.077 17818 7671 1 15 . 1 1 74 74 LEU CA C 74 56.800 56.800 55.665 1.135 17818 7672 1 15 . 1 1 74 74 LEU CB C 74 41.800 41.800 42.563 -0.763 17818 7673 1 15 . 1 1 74 74 LEU H H 74 8.220 8.220 8.473 -0.253 17818 7674 1 15 . 1 1 75 75 GLY N N 75 118.100 118.100 114.357 3.743 17818 7675 1 15 . 1 1 75 75 GLY CA C 75 46.200 46.200 45.534 0.666 17818 7676 1 15 . 1 1 75 75 GLY H H 75 9.850 9.850 9.373 0.477 17818 7677 1 15 . 1 1 76 76 ALA N N 76 120.600 120.600 121.108 -0.508 17818 7678 1 15 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.727 -0.227 17818 7679 1 15 . 1 1 76 76 ALA CA C 76 51.900 51.900 51.099 0.801 17818 7680 1 15 . 1 1 76 76 ALA CB C 76 20.200 20.200 21.382 -1.182 17818 7681 1 15 . 1 1 76 76 ALA H H 76 7.550 7.550 7.414 0.136 17818 7682 1 15 . 1 1 77 77 GLY N N 77 110.500 110.500 107.658 2.842 17818 7683 1 15 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.601 0.799 17818 7684 1 15 . 1 1 77 77 GLY H H 77 8.790 8.790 8.722 0.068 17818 7685 1 15 . 1 1 78 78 GLU N N 78 119.400 119.400 120.505 -1.105 17818 7686 1 15 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.464 -0.314 17818 7687 1 15 . 1 1 78 78 GLU CA C 78 57.200 57.200 56.518 0.682 17818 7688 1 15 . 1 1 78 78 GLU CB C 78 30.900 30.900 31.199 -0.299 17818 7689 1 15 . 1 1 78 78 GLU H H 78 9.240 9.240 8.405 0.835 17818 7690 1 15 . 1 1 79 79 VAL N N 79 108.600 108.600 115.200 -6.600 17818 7691 1 15 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.490 -0.270 17818 7692 1 15 . 1 1 79 79 VAL CA C 79 57.300 57.300 60.202 -2.902 17818 7693 1 15 . 1 1 79 79 VAL CB C 79 35.400 35.400 34.298 1.101 17818 7694 1 15 . 1 1 79 79 VAL H H 79 6.760 6.760 7.509 -0.749 17818 7695 1 15 . 1 1 80 80 ILE N N 80 111.800 111.800 116.013 -4.213 17818 7696 1 15 . 1 1 80 80 ILE HA H 80 3.800 3.800 4.085 -0.285 17818 7697 1 15 . 1 1 80 80 ILE CA C 80 61.800 61.800 60.957 0.843 17818 7698 1 15 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.512 -0.512 17818 7699 1 15 . 1 1 80 80 ILE H H 80 7.300 7.300 8.000 -0.700 17818 7700 1 15 . 1 1 81 81 LYS N N 81 124.700 124.700 124.419 0.281 17818 7701 1 15 . 1 1 81 81 LYS HA H 81 4.160 4.160 4.008 0.152 17818 7702 1 15 . 1 1 81 81 LYS CA C 81 59.700 59.700 58.453 1.247 17818 7703 1 15 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.314 1.486 17818 7704 1 15 . 1 1 81 81 LYS H H 81 8.880 8.880 8.734 0.146 17818 7705 1 15 . 1 1 82 82 GLY N N 82 101.700 101.700 108.088 -6.388 17818 7706 1 15 . 1 1 82 82 GLY CA C 82 47.300 47.300 47.067 0.233 17818 7707 1 15 . 1 1 82 82 GLY H H 82 9.580 9.580 7.732 1.848 17818 7708 1 15 . 1 1 83 83 TRP N N 83 119.300 119.300 121.794 -2.494 17818 7709 1 15 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.349 -0.339 17818 7710 1 15 . 1 1 83 83 TRP CA C 83 59.300 59.300 57.611 1.688 17818 7711 1 15 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.448 0.652 17818 7712 1 15 . 1 1 83 83 TRP H H 83 7.450 7.450 7.154 0.296 17818 7713 1 15 . 1 1 84 84 ASP N N 84 120.900 120.900 119.979 0.921 17818 7714 1 15 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.396 -0.396 17818 7715 1 15 . 1 1 84 84 ASP CA C 84 58.200 58.200 58.099 0.101 17818 7716 1 15 . 1 1 84 84 ASP CB C 84 41.000 41.000 40.922 0.078 17818 7717 1 15 . 1 1 84 84 ASP H H 84 7.120 7.120 8.429 -1.309 17818 7718 1 15 . 1 1 85 85 GLN N N 85 114.500 114.500 118.522 -4.022 17818 7719 1 15 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.005 -0.005 17818 7720 1 15 . 1 1 85 85 GLN CA C 85 58.200 58.200 58.211 -0.010 17818 7721 1 15 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.796 0.104 17818 7722 1 15 . 1 1 85 85 GLN H H 85 8.360 8.360 7.912 0.448 17818 7723 1 15 . 1 1 86 86 GLY N N 86 106.300 106.300 107.817 -1.517 17818 7724 1 15 . 1 1 86 86 GLY CA C 86 47.700 47.700 46.776 0.924 17818 7725 1 15 . 1 1 86 86 GLY H H 86 7.960 7.960 7.855 0.105 17818 7726 1 15 . 1 1 87 87 VAL N N 87 125.300 125.300 118.276 7.024 17818 7727 1 15 . 1 1 87 87 VAL HA H 87 3.630 3.630 4.019 -0.389 17818 7728 1 15 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.297 2.103 17818 7729 1 15 . 1 1 87 87 VAL CB C 87 30.300 30.300 31.675 -1.375 17818 7730 1 15 . 1 1 87 87 VAL H H 87 9.090 9.090 7.946 1.144 17818 7731 1 15 . 1 1 88 88 ALA N N 88 116.500 116.500 122.435 -5.935 17818 7732 1 15 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.062 -0.072 17818 7733 1 15 . 1 1 88 88 ALA CA C 88 54.300 54.300 55.039 -0.739 17818 7734 1 15 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.219 0.381 17818 7735 1 15 . 1 1 88 88 ALA H H 88 6.750 6.750 8.030 -1.280 17818 7736 1 15 . 1 1 89 89 THR N N 89 105.500 105.500 111.587 -6.087 17818 7737 1 15 . 1 1 89 89 THR HA H 89 4.520 4.520 4.369 0.151 17818 7738 1 15 . 1 1 89 89 THR CA C 89 62.300 62.300 62.703 -0.404 17818 7739 1 15 . 1 1 89 89 THR CB C 89 71.100 71.100 68.679 2.421 17818 7740 1 15 . 1 1 89 89 THR H H 89 7.400 7.400 7.974 -0.574 17818 7741 1 15 . 1 1 90 90 MET N N 90 122.400 122.400 118.224 4.176 17818 7742 1 15 . 1 1 90 90 MET CA C 90 56.200 56.200 54.603 1.597 17818 7743 1 15 . 1 1 90 90 MET CB C 90 36.800 36.800 35.824 0.976 17818 7744 1 15 . 1 1 90 90 MET H H 90 7.550 7.550 7.390 0.160 17818 7745 1 15 . 1 1 91 91 THR N N 91 105.200 105.200 109.109 -3.909 17818 7746 1 15 . 1 1 91 91 THR HA H 91 5.120 5.120 4.604 0.516 17818 7747 1 15 . 1 1 91 91 THR CA C 91 59.800 59.800 59.724 0.076 17818 7748 1 15 . 1 1 91 91 THR CB C 91 71.900 71.900 71.956 -0.055 17818 7749 1 15 . 1 1 91 91 THR H H 91 7.350 7.350 8.422 -1.072 17818 7750 1 15 . 1 1 92 92 LEU N N 92 121.200 121.200 122.068 -0.868 17818 7751 1 15 . 1 1 92 92 LEU HA H 92 3.600 3.600 3.950 -0.350 17818 7752 1 15 . 1 1 92 92 LEU CA C 92 58.100 58.100 55.841 2.259 17818 7753 1 15 . 1 1 92 92 LEU CB C 92 43.400 43.400 42.005 1.395 17818 7754 1 15 . 1 1 92 92 LEU H H 92 8.180 8.180 8.435 -0.255 17818 7755 1 15 . 1 1 93 93 GLY N N 93 115.800 115.800 113.753 2.047 17818 7756 1 15 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.421 -0.721 17818 7757 1 15 . 1 1 93 93 GLY H H 93 8.490 8.490 8.833 -0.343 17818 7758 1 15 . 1 1 94 94 GLU N N 94 123.700 123.700 119.313 4.387 17818 7759 1 15 . 1 1 94 94 GLU HA H 94 4.290 4.290 4.969 -0.679 17818 7760 1 15 . 1 1 94 94 GLU CA C 94 56.100 56.100 54.545 1.554 17818 7761 1 15 . 1 1 94 94 GLU CB C 94 33.500 33.500 34.092 -0.592 17818 7762 1 15 . 1 1 94 94 GLU H H 94 8.650 8.650 7.649 1.001 17818 7763 1 15 . 1 1 95 95 LYS N N 95 124.200 124.200 123.865 0.335 17818 7764 1 15 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.149 0.411 17818 7765 1 15 . 1 1 95 95 LYS CA C 95 54.600 54.600 55.030 -0.430 17818 7766 1 15 . 1 1 95 95 LYS CB C 95 35.300 35.300 36.650 -1.350 17818 7767 1 15 . 1 1 95 95 LYS H H 95 8.950 8.950 8.755 0.195 17818 7768 1 15 . 1 1 96 96 ALA N N 96 129.100 129.100 127.927 1.173 17818 7769 1 15 . 1 1 96 96 ALA HA H 96 4.990 4.990 5.350 -0.360 17818 7770 1 15 . 1 1 96 96 ALA CA C 96 50.500 50.500 50.319 0.180 17818 7771 1 15 . 1 1 96 96 ALA CB C 96 23.900 23.900 23.260 0.640 17818 7772 1 15 . 1 1 96 96 ALA H H 96 9.530 9.530 9.227 0.303 17818 7773 1 15 . 1 1 97 97 LEU N N 97 122.200 122.200 122.652 -0.452 17818 7774 1 15 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.715 0.465 17818 7775 1 15 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.217 -1.217 17818 7776 1 15 . 1 1 97 97 LEU CB C 97 45.800 45.800 43.080 2.720 17818 7777 1 15 . 1 1 97 97 LEU H H 97 9.100 9.100 8.841 0.259 17818 7778 1 15 . 1 1 98 98 PHE N N 98 125.800 125.800 129.499 -3.699 17818 7779 1 15 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.326 0.374 17818 7780 1 15 . 1 1 98 98 PHE CA C 98 56.500 56.500 55.966 0.534 17818 7781 1 15 . 1 1 98 98 PHE CB C 98 42.300 42.300 42.574 -0.274 17818 7782 1 15 . 1 1 98 98 PHE H H 98 9.940 9.940 9.303 0.637 17818 7783 1 15 . 1 1 99 99 THR N N 99 121.600 121.600 125.999 -4.399 17818 7784 1 15 . 1 1 99 99 THR CA C 99 63.500 63.500 62.928 0.572 17818 7785 1 15 . 1 1 99 99 THR CB C 99 68.600 68.600 68.692 -0.092 17818 7786 1 15 . 1 1 99 99 THR H H 99 9.100 9.100 8.612 0.488 17818 7787 1 15 . 1 1 100 100 ILE N N 100 127.400 127.400 129.365 -1.965 17818 7788 1 15 . 1 1 100 100 ILE CA C 100 58.700 58.700 57.351 1.349 17818 7789 1 15 . 1 1 100 100 ILE CB C 100 39.400 39.400 36.985 2.415 17818 7790 1 15 . 1 1 100 100 ILE H H 100 9.880 9.880 9.060 0.820 17818 7791 1 15 . 1 1 101 101 PRO CA C 101 62.200 62.200 62.519 -0.319 17818 7792 1 15 . 1 1 101 101 PRO CB C 101 32.500 32.500 31.767 0.733 17818 7793 1 15 . 1 1 102 102 TYR N N 102 118.100 118.100 121.275 -3.175 17818 7794 1 15 . 1 1 102 102 TYR HA H 102 4.470 4.470 4.030 0.440 17818 7795 1 15 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.698 0.402 17818 7796 1 15 . 1 1 102 102 TYR CB C 102 37.000 37.000 37.199 -0.199 17818 7797 1 15 . 1 1 102 102 TYR H H 102 8.450 8.450 8.498 -0.048 17818 7798 1 15 . 1 1 103 103 GLN N N 103 123.800 123.800 116.236 7.564 17818 7799 1 15 . 1 1 103 103 GLN HA H 103 4.050 4.050 3.914 0.136 17818 7800 1 15 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.289 2.211 17818 7801 1 15 . 1 1 103 103 GLN CB C 103 27.300 27.300 28.203 -0.903 17818 7802 1 15 . 1 1 103 103 GLN H H 103 9.080 9.080 7.486 1.594 17818 7803 1 15 . 1 1 104 104 LEU N N 104 116.800 116.800 118.391 -1.591 17818 7804 1 15 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.322 0.198 17818 7805 1 15 . 1 1 104 104 LEU CA C 104 53.100 53.100 53.873 -0.773 17818 7806 1 15 . 1 1 104 104 LEU CB C 104 43.400 43.400 41.640 1.760 17818 7807 1 15 . 1 1 104 104 LEU H H 104 7.790 7.790 7.457 0.333 17818 7808 1 15 . 1 1 105 105 ALA N N 105 125.400 125.400 120.574 4.826 17818 7809 1 15 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.328 0.142 17818 7810 1 15 . 1 1 105 105 ALA CA C 105 51.000 51.000 51.669 -0.669 17818 7811 1 15 . 1 1 105 105 ALA CB C 105 18.900 18.900 20.045 -1.145 17818 7812 1 15 . 1 1 105 105 ALA H H 105 7.780 7.780 7.158 0.622 17818 7813 1 15 . 1 1 106 106 TYR N N 106 122.000 122.000 117.019 4.981 17818 7814 1 15 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.453 0.157 17818 7815 1 15 . 1 1 106 106 TYR CA C 106 59.300 59.300 58.668 0.632 17818 7816 1 15 . 1 1 106 106 TYR CB C 106 37.400 37.400 38.056 -0.656 17818 7817 1 15 . 1 1 106 106 TYR H H 106 9.430 9.430 8.387 1.043 17818 7818 1 15 . 1 1 107 107 GLY N N 107 105.500 105.500 108.969 -3.469 17818 7819 1 15 . 1 1 107 107 GLY CA C 107 46.500 46.500 46.546 -0.046 17818 7820 1 15 . 1 1 107 107 GLY H H 107 8.490 8.490 8.202 0.288 17818 7821 1 15 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.221 -0.711 17818 7822 1 15 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.298 0.202 17818 7823 1 15 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.819 -0.219 17818 7824 1 15 . 1 1 109 109 ARG N N 109 115.900 115.900 116.333 -0.433 17818 7825 1 15 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.333 -0.153 17818 7826 1 15 . 1 1 109 109 ARG CA C 109 57.400 57.400 56.085 1.315 17818 7827 1 15 . 1 1 109 109 ARG CB C 109 30.700 30.700 30.602 0.098 17818 7828 1 15 . 1 1 109 109 ARG H H 109 8.840 8.840 7.954 0.886 17818 7829 1 15 . 1 1 110 110 GLY N N 110 130.700 130.700 109.277 21.423 17818 7830 1 15 . 1 1 110 110 GLY CA C 110 44.800 44.800 47.103 -2.303 17818 7831 1 15 . 1 1 110 110 GLY H H 110 7.140 7.140 8.340 -1.200 17818 7832 1 15 . 1 1 111 111 TYR N N 111 119.700 119.700 117.389 2.311 17818 7833 1 15 . 1 1 111 111 TYR CA C 111 54.500 54.500 59.875 -5.375 17818 7834 1 15 . 1 1 111 111 TYR CB C 111 38.600 38.600 36.422 2.178 17818 7835 1 15 . 1 1 111 111 TYR H H 111 8.570 8.570 8.032 0.538 17818 7836 1 15 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.492 -0.692 17818 7837 1 15 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.779 2.521 17818 7838 1 15 . 1 1 114 114 VAL N N 114 122.900 122.900 117.385 5.515 17818 7839 1 15 . 1 1 114 114 VAL HA H 114 3.850 3.850 3.889 -0.039 17818 7840 1 15 . 1 1 114 114 VAL CA C 114 65.600 65.600 64.230 1.370 17818 7841 1 15 . 1 1 114 114 VAL CB C 114 33.000 33.000 31.923 1.077 17818 7842 1 15 . 1 1 114 114 VAL H H 114 7.870 7.870 7.807 0.063 17818 7843 1 15 . 1 1 115 115 ILE N N 115 118.100 118.100 120.785 -2.685 17818 7844 1 15 . 1 1 115 115 ILE CA C 115 56.300 56.300 57.053 -0.753 17818 7845 1 15 . 1 1 115 115 ILE CB C 115 37.700 37.700 38.014 -0.314 17818 7846 1 15 . 1 1 115 115 ILE H H 115 7.550 7.550 7.777 -0.227 17818 7847 1 15 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.277 -0.657 17818 7848 1 15 . 1 1 117 117 PRO CA C 117 63.400 63.400 63.017 0.383 17818 7849 1 15 . 1 1 117 117 PRO CB C 117 32.800 32.800 32.388 0.412 17818 7850 1 15 . 1 1 118 118 LYS N N 118 115.100 115.100 116.552 -1.452 17818 7851 1 15 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.757 -1.177 17818 7852 1 15 . 1 1 118 118 LYS CA C 118 57.900 57.900 57.173 0.727 17818 7853 1 15 . 1 1 118 118 LYS CB C 118 29.700 29.700 30.153 -0.453 17818 7854 1 15 . 1 1 118 118 LYS H H 118 7.330 7.330 8.331 -1.001 17818 7855 1 15 . 1 1 119 119 ALA N N 119 121.900 121.900 120.717 1.183 17818 7856 1 15 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.387 0.063 17818 7857 1 15 . 1 1 119 119 ALA CA C 119 52.700 52.700 51.654 1.046 17818 7858 1 15 . 1 1 119 119 ALA CB C 119 20.100 20.100 20.637 -0.537 17818 7859 1 15 . 1 1 119 119 ALA H H 119 7.900 7.900 7.892 0.008 17818 7860 1 15 . 1 1 120 120 THR N N 120 121.800 121.800 119.718 2.082 17818 7861 1 15 . 1 1 120 120 THR CA C 120 63.100 63.100 63.240 -0.140 17818 7862 1 15 . 1 1 120 120 THR CB C 120 69.800 69.800 69.504 0.296 17818 7863 1 15 . 1 1 120 120 THR H H 120 8.170 8.170 8.411 -0.241 17818 7864 1 15 . 1 1 121 121 LEU N N 121 124.200 124.200 127.675 -3.475 17818 7865 1 15 . 1 1 121 121 LEU CA C 121 53.100 53.100 52.586 0.514 17818 7866 1 15 . 1 1 121 121 LEU CB C 121 46.300 46.300 46.204 0.096 17818 7867 1 15 . 1 1 121 121 LEU H H 121 8.640 8.640 9.031 -0.391 17818 7868 1 15 . 1 1 122 122 VAL N N 122 122.200 122.200 123.479 -1.279 17818 7869 1 15 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.311 0.980 17818 7870 1 15 . 1 1 122 122 VAL CA C 122 60.700 60.700 61.795 -1.095 17818 7871 1 15 . 1 1 122 122 VAL CB C 122 33.300 33.300 31.591 1.708 17818 7872 1 15 . 1 1 122 122 VAL H H 122 8.860 8.860 8.635 0.225 17818 7873 1 15 . 1 1 123 123 PHE N N 123 122.900 122.900 127.757 -4.857 17818 7874 1 15 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.258 0.142 17818 7875 1 15 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.292 -0.892 17818 7876 1 15 . 1 1 123 123 PHE CB C 123 44.000 44.000 41.831 2.169 17818 7877 1 15 . 1 1 123 123 PHE H H 123 9.620 9.620 9.363 0.257 17818 7878 1 15 . 1 1 124 124 GLU N N 124 125.500 125.500 125.864 -0.364 17818 7879 1 15 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.766 1.134 17818 7880 1 15 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.283 -0.683 17818 7881 1 15 . 1 1 124 124 GLU CB C 124 31.800 31.800 29.845 1.955 17818 7882 1 15 . 1 1 124 124 GLU H H 124 9.180 9.180 9.050 0.130 17818 7883 1 15 . 1 1 125 125 VAL N N 125 128.100 128.100 120.732 7.368 17818 7884 1 15 . 1 1 125 125 VAL CA C 125 61.300 61.300 59.316 1.984 17818 7885 1 15 . 1 1 125 125 VAL CB C 125 35.800 35.800 34.046 1.754 17818 7886 1 15 . 1 1 125 125 VAL H H 125 9.600 9.600 8.898 0.702 17818 7887 1 15 . 1 1 126 126 GLU N N 126 128.500 128.500 124.825 3.675 17818 7888 1 15 . 1 1 126 126 GLU HA H 126 5.630 5.630 5.009 0.621 17818 7889 1 15 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.702 -1.202 17818 7890 1 15 . 1 1 126 126 GLU CB C 126 34.000 34.000 34.125 -0.125 17818 7891 1 15 . 1 1 126 126 GLU H H 126 9.420 9.420 8.673 0.747 17818 7892 1 15 . 1 1 127 127 LEU N N 127 127.900 127.900 128.483 -0.583 17818 7893 1 15 . 1 1 127 127 LEU CA C 127 55.100 55.100 53.772 1.328 17818 7894 1 15 . 1 1 127 127 LEU CB C 127 41.400 41.400 42.042 -0.642 17818 7895 1 15 . 1 1 127 127 LEU H H 127 8.720 8.720 8.992 -0.272 17818 7896 1 15 . 1 1 128 128 LEU N N 128 128.700 128.700 128.166 0.534 17818 7897 1 15 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.435 -0.035 17818 7898 1 15 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.587 0.312 17818 7899 1 15 . 1 1 128 128 LEU CB C 128 43.700 43.700 42.148 1.552 17818 7900 1 15 . 1 1 128 128 LEU H H 128 8.690 8.690 8.845 -0.155 17818 7901 1 15 . 1 1 129 129 ALA N N 129 118.600 118.600 116.782 1.818 17818 7902 1 15 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.461 -0.001 17818 7903 1 15 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.532 1.268 17818 7904 1 15 . 1 1 129 129 ALA CB C 129 21.100 21.100 21.235 -0.135 17818 7905 1 15 . 1 1 129 129 ALA H H 129 7.810 7.810 7.783 0.027 17818 7906 1 16 . 1 1 8 8 HIS CA C 8 54.700 54.700 55.834 -1.134 17818 7907 1 16 . 1 1 8 8 HIS CB C 8 31.200 31.200 27.929 3.271 17818 7908 1 16 . 1 1 9 9 MET N N 9 120.000 120.000 123.151 -3.151 17818 7909 1 16 . 1 1 9 9 MET HA H 9 4.280 4.280 4.542 -0.262 17818 7910 1 16 . 1 1 9 9 MET CA C 9 55.500 55.500 54.586 0.914 17818 7911 1 16 . 1 1 9 9 MET CB C 9 32.500 32.500 35.310 -2.811 17818 7912 1 16 . 1 1 9 9 MET H H 9 8.110 8.110 7.651 0.459 17818 7913 1 16 . 1 1 10 10 GLY N N 10 109.800 109.800 110.751 -0.951 17818 7914 1 16 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.625 0.675 17818 7915 1 16 . 1 1 10 10 GLY H H 10 8.440 8.440 8.473 -0.033 17818 7916 1 16 . 1 1 11 11 THR N N 11 113.600 113.600 117.598 -3.998 17818 7917 1 16 . 1 1 11 11 THR HA H 11 4.330 4.330 4.089 0.241 17818 7918 1 16 . 1 1 11 11 THR CA C 11 62.000 62.000 61.988 0.012 17818 7919 1 16 . 1 1 11 11 THR CB C 11 69.900 69.900 68.927 0.973 17818 7920 1 16 . 1 1 11 11 THR H H 11 8.070 8.070 8.348 -0.278 17818 7921 1 16 . 1 1 12 12 LEU N N 12 124.200 124.200 128.268 -4.068 17818 7922 1 16 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.398 -0.078 17818 7923 1 16 . 1 1 12 12 LEU CA C 12 55.500 55.500 54.642 0.858 17818 7924 1 16 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.238 -0.138 17818 7925 1 16 . 1 1 12 12 LEU H H 12 8.380 8.380 8.372 0.008 17818 7926 1 16 . 1 1 13 13 GLU N N 13 121.600 121.600 127.031 -5.431 17818 7927 1 16 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.537 -0.337 17818 7928 1 16 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.614 1.286 17818 7929 1 16 . 1 1 13 13 GLU CB C 13 30.000 30.000 29.938 0.062 17818 7930 1 16 . 1 1 13 13 GLU H H 13 8.430 8.430 8.560 -0.130 17818 7931 1 16 . 1 1 14 14 ALA N N 14 124.400 124.400 126.472 -2.072 17818 7932 1 16 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.670 -0.400 17818 7933 1 16 . 1 1 14 14 ALA CA C 14 52.700 52.700 51.565 1.135 17818 7934 1 16 . 1 1 14 14 ALA CB C 14 19.100 19.100 20.101 -1.001 17818 7935 1 16 . 1 1 14 14 ALA H H 14 8.290 8.290 8.472 -0.182 17818 7936 1 16 . 1 1 15 15 GLN N N 15 119.100 119.100 121.660 -2.560 17818 7937 1 16 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.476 -0.086 17818 7938 1 16 . 1 1 15 15 GLN CA C 15 56.000 56.000 55.824 0.176 17818 7939 1 16 . 1 1 15 15 GLN CB C 15 29.400 29.400 28.252 1.149 17818 7940 1 16 . 1 1 15 15 GLN H H 15 8.370 8.370 8.736 -0.366 17818 7941 1 16 . 1 1 16 16 THR N N 16 114.900 114.900 118.876 -3.976 17818 7942 1 16 . 1 1 16 16 THR CA C 16 62.100 62.100 61.952 0.148 17818 7943 1 16 . 1 1 16 16 THR CB C 16 69.800 69.800 70.361 -0.561 17818 7944 1 16 . 1 1 16 16 THR H H 16 8.200 8.200 8.349 -0.149 17818 7945 1 16 . 1 1 17 17 GLN N N 17 122.200 122.200 123.129 -0.929 17818 7946 1 16 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.266 0.164 17818 7947 1 16 . 1 1 17 17 GLN CA C 17 55.600 55.600 56.056 -0.456 17818 7948 1 16 . 1 1 17 17 GLN CB C 17 29.700 29.700 28.884 0.816 17818 7949 1 16 . 1 1 17 17 GLN H H 17 8.420 8.420 8.576 -0.156 17818 7950 1 16 . 1 1 18 18 GLY N N 18 110.100 110.100 107.335 2.765 17818 7951 1 16 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.134 0.466 17818 7952 1 16 . 1 1 18 18 GLY H H 18 8.360 8.360 7.935 0.425 17818 7953 1 16 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.200 0.240 17818 7954 1 16 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.343 0.257 17818 7955 1 16 . 1 1 19 19 PRO CB C 19 32.000 32.000 30.756 1.244 17818 7956 1 16 . 1 1 20 20 GLY N N 20 109.400 109.400 112.102 -2.702 17818 7957 1 16 . 1 1 20 20 GLY CA C 20 45.300 45.300 45.720 -0.420 17818 7958 1 16 . 1 1 20 20 GLY H H 20 8.630 8.630 7.939 0.691 17818 7959 1 16 . 1 1 21 21 SER N N 21 115.400 115.400 121.477 -6.077 17818 7960 1 16 . 1 1 21 21 SER CA C 21 63.800 63.800 59.543 4.257 17818 7961 1 16 . 1 1 21 21 SER CB C 21 69.800 69.800 61.655 8.145 17818 7962 1 16 . 1 1 21 21 SER H H 21 4.180 4.180 8.485 -4.305 17818 7963 1 16 . 1 1 22 22 MET N N 22 121.900 121.900 121.786 0.114 17818 7964 1 16 . 1 1 22 22 MET CA C 22 55.500 55.500 54.236 1.264 17818 7965 1 16 . 1 1 22 22 MET CB C 22 32.800 32.800 36.595 -3.795 17818 7966 1 16 . 1 1 22 22 MET H H 22 8.440 8.440 7.830 0.610 17818 7967 1 16 . 1 1 23 23 SER N N 23 116.600 116.600 114.550 2.050 17818 7968 1 16 . 1 1 23 23 SER HA H 23 4.400 4.400 4.503 -0.103 17818 7969 1 16 . 1 1 23 23 SER CA C 23 58.300 58.300 57.486 0.814 17818 7970 1 16 . 1 1 23 23 SER CB C 23 63.700 63.700 63.872 -0.172 17818 7971 1 16 . 1 1 23 23 SER H H 23 8.290 8.290 8.238 0.052 17818 7972 1 16 . 1 1 24 24 ALA N N 24 125.700 125.700 123.698 2.002 17818 7973 1 16 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.432 -0.142 17818 7974 1 16 . 1 1 24 24 ALA CA C 24 52.100 52.100 52.160 -0.061 17818 7975 1 16 . 1 1 24 24 ALA CB C 24 19.300 19.300 18.511 0.789 17818 7976 1 16 . 1 1 24 24 ALA H H 24 8.200 8.200 8.509 -0.309 17818 7977 1 16 . 1 1 25 25 GLN N N 25 118.300 118.300 123.533 -5.233 17818 7978 1 16 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.416 0.094 17818 7979 1 16 . 1 1 25 25 GLN CA C 25 54.200 54.200 55.319 -1.119 17818 7980 1 16 . 1 1 25 25 GLN CB C 25 31.300 31.300 30.402 0.898 17818 7981 1 16 . 1 1 25 25 GLN H H 25 8.280 8.280 8.143 0.137 17818 7982 1 16 . 1 1 26 26 LEU N N 26 122.100 122.100 123.025 -0.925 17818 7983 1 16 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.539 -0.079 17818 7984 1 16 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.579 0.721 17818 7985 1 16 . 1 1 26 26 LEU CB C 26 43.500 43.500 44.026 -0.526 17818 7986 1 16 . 1 1 26 26 LEU H H 26 8.480 8.480 8.359 0.121 17818 7987 1 16 . 1 1 27 27 GLU N N 27 125.300 125.300 126.402 -1.102 17818 7988 1 16 . 1 1 27 27 GLU CA C 27 55.300 55.300 55.430 -0.130 17818 7989 1 16 . 1 1 27 27 GLU CB C 27 32.400 32.400 33.353 -0.953 17818 7990 1 16 . 1 1 27 27 GLU H H 27 8.240 8.240 8.327 -0.087 17818 7991 1 16 . 1 1 28 28 LYS N N 28 125.000 125.000 123.204 1.796 17818 7992 1 16 . 1 1 28 28 LYS HA H 28 4.610 4.610 5.036 -0.426 17818 7993 1 16 . 1 1 28 28 LYS CA C 28 54.500 54.500 54.919 -0.419 17818 7994 1 16 . 1 1 28 28 LYS CB C 28 35.700 35.700 33.379 2.321 17818 7995 1 16 . 1 1 28 28 LYS H H 28 8.810 8.810 8.463 0.347 17818 7996 1 16 . 1 1 29 29 LYS N N 29 128.100 128.100 126.347 1.753 17818 7997 1 16 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.513 0.517 17818 7998 1 16 . 1 1 29 29 LYS CA C 29 55.000 55.000 54.807 0.193 17818 7999 1 16 . 1 1 29 29 LYS CB C 29 36.200 36.200 34.810 1.389 17818 8000 1 16 . 1 1 29 29 LYS H H 29 8.850 8.850 8.827 0.023 17818 8001 1 16 . 1 1 30 30 VAL N N 30 127.200 127.200 128.100 -0.900 17818 8002 1 16 . 1 1 30 30 VAL HA H 30 3.660 3.660 4.000 -0.340 17818 8003 1 16 . 1 1 30 30 VAL CA C 30 64.800 64.800 63.566 1.234 17818 8004 1 16 . 1 1 30 30 VAL CB C 30 31.600 31.600 31.573 0.027 17818 8005 1 16 . 1 1 30 30 VAL H H 30 9.170 9.170 8.883 0.287 17818 8006 1 16 . 1 1 31 31 LEU N N 31 129.800 129.800 129.890 -0.090 17818 8007 1 16 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.388 0.052 17818 8008 1 16 . 1 1 31 31 LEU CA C 31 56.000 56.000 56.293 -0.293 17818 8009 1 16 . 1 1 31 31 LEU CB C 31 41.800 41.800 42.581 -0.781 17818 8010 1 16 . 1 1 31 31 LEU H H 31 9.020 9.020 8.784 0.236 17818 8011 1 16 . 1 1 32 32 THR N N 32 115.700 115.700 113.276 2.424 17818 8012 1 16 . 1 1 32 32 THR CA C 32 59.300 59.300 60.646 -1.346 17818 8013 1 16 . 1 1 32 32 THR CB C 32 72.500 72.500 70.582 1.918 17818 8014 1 16 . 1 1 32 32 THR H H 32 8.220 8.220 8.059 0.161 17818 8015 1 16 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.623 -0.333 17818 8016 1 16 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.308 0.692 17818 8017 1 16 . 1 1 33 33 PRO CB C 33 32.400 32.400 32.283 0.117 17818 8018 1 16 . 1 1 34 34 GLY N N 34 109.400 109.400 112.403 -3.003 17818 8019 1 16 . 1 1 34 34 GLY CA C 34 44.200 44.200 43.794 0.406 17818 8020 1 16 . 1 1 34 34 GLY H H 34 9.010 9.010 8.608 0.402 17818 8021 1 16 . 1 1 35 35 ASP N N 35 119.400 119.400 120.164 -0.764 17818 8022 1 16 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.374 -0.044 17818 8023 1 16 . 1 1 35 35 ASP CA C 35 54.700 54.700 56.811 -2.111 17818 8024 1 16 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.516 -2.116 17818 8025 1 16 . 1 1 35 35 ASP H H 35 8.370 8.370 8.195 0.175 17818 8026 1 16 . 1 1 36 36 GLY N N 36 107.900 107.900 107.439 0.461 17818 8027 1 16 . 1 1 36 36 GLY CA C 36 46.000 46.000 46.565 -0.565 17818 8028 1 16 . 1 1 36 36 GLY H H 36 8.750 8.750 8.332 0.418 17818 8029 1 16 . 1 1 37 37 VAL N N 37 116.200 116.200 115.108 1.092 17818 8030 1 16 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.099 0.401 17818 8031 1 16 . 1 1 37 37 VAL CA C 37 62.500 62.500 62.673 -0.173 17818 8032 1 16 . 1 1 37 37 VAL CB C 37 35.900 35.900 31.668 4.232 17818 8033 1 16 . 1 1 37 37 VAL H H 37 8.590 8.590 7.751 0.839 17818 8034 1 16 . 1 1 38 38 THR N N 38 126.400 126.400 113.834 12.566 17818 8035 1 16 . 1 1 38 38 THR HA H 38 4.210 4.210 4.289 -0.079 17818 8036 1 16 . 1 1 38 38 THR CA C 38 63.300 63.300 61.864 1.436 17818 8037 1 16 . 1 1 38 38 THR CB C 38 65.800 65.800 68.176 -2.376 17818 8038 1 16 . 1 1 38 38 THR H H 38 10.650 10.650 7.756 2.894 17818 8039 1 16 . 1 1 39 39 LYS N N 39 127.000 127.000 127.415 -0.415 17818 8040 1 16 . 1 1 39 39 LYS CA C 39 53.400 53.400 53.033 0.367 17818 8041 1 16 . 1 1 39 39 LYS CB C 39 33.200 33.200 32.321 0.879 17818 8042 1 16 . 1 1 39 39 LYS H H 39 8.390 8.390 8.064 0.326 17818 8043 1 16 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.791 -0.591 17818 8044 1 16 . 1 1 40 40 PRO CB C 40 33.300 33.300 32.837 0.462 17818 8045 1 16 . 1 1 41 41 GLN N N 41 120.900 120.900 119.201 1.699 17818 8046 1 16 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.499 -0.039 17818 8047 1 16 . 1 1 41 41 GLN CA C 41 53.700 53.700 54.090 -0.390 17818 8048 1 16 . 1 1 41 41 GLN CB C 41 31.500 31.500 31.284 0.216 17818 8049 1 16 . 1 1 41 41 GLN H H 41 8.750 8.750 8.272 0.478 17818 8050 1 16 . 1 1 42 42 ALA N N 42 125.700 125.700 121.729 3.971 17818 8051 1 16 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.316 -0.536 17818 8052 1 16 . 1 1 42 42 ALA CA C 42 53.400 53.400 52.302 1.098 17818 8053 1 16 . 1 1 42 42 ALA CB C 42 17.800 17.800 18.962 -1.162 17818 8054 1 16 . 1 1 42 42 ALA H H 42 8.550 8.550 8.266 0.284 17818 8055 1 16 . 1 1 43 43 GLY N N 43 109.700 109.700 108.580 1.120 17818 8056 1 16 . 1 1 43 43 GLY CA C 43 45.200 45.200 45.098 0.102 17818 8057 1 16 . 1 1 43 43 GLY H H 43 8.970 8.970 8.573 0.397 17818 8058 1 16 . 1 1 44 44 LYS N N 44 120.300 120.300 120.773 -0.473 17818 8059 1 16 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.507 0.163 17818 8060 1 16 . 1 1 44 44 LYS CA C 44 53.800 53.800 54.151 -0.351 17818 8061 1 16 . 1 1 44 44 LYS CB C 44 34.100 34.100 34.767 -0.667 17818 8062 1 16 . 1 1 44 44 LYS H H 44 7.920 7.920 7.406 0.514 17818 8063 1 16 . 1 1 45 45 LYS N N 45 120.800 120.800 126.828 -6.028 17818 8064 1 16 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.191 0.329 17818 8065 1 16 . 1 1 45 45 LYS CA C 45 56.300 56.300 56.345 -0.045 17818 8066 1 16 . 1 1 45 45 LYS CB C 45 32.900 32.900 31.477 1.423 17818 8067 1 16 . 1 1 45 45 LYS H H 45 8.340 8.340 8.773 -0.433 17818 8068 1 16 . 1 1 46 46 VAL N N 46 117.600 117.600 123.212 -5.612 17818 8069 1 16 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.510 0.050 17818 8070 1 16 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.157 -0.258 17818 8071 1 16 . 1 1 46 46 VAL CB C 46 33.900 33.900 34.580 -0.680 17818 8072 1 16 . 1 1 46 46 VAL H H 46 8.560 8.560 8.591 -0.031 17818 8073 1 16 . 1 1 47 47 THR N N 47 115.600 115.600 120.922 -5.322 17818 8074 1 16 . 1 1 47 47 THR HA H 47 5.100 5.100 4.932 0.168 17818 8075 1 16 . 1 1 47 47 THR CA C 47 61.600 61.600 62.522 -0.922 17818 8076 1 16 . 1 1 47 47 THR CB C 47 69.800 69.800 68.152 1.648 17818 8077 1 16 . 1 1 47 47 THR H H 47 8.130 8.130 8.411 -0.281 17818 8078 1 16 . 1 1 48 48 VAL N N 48 118.100 118.100 122.875 -4.775 17818 8079 1 16 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.298 0.492 17818 8080 1 16 . 1 1 48 48 VAL CA C 48 58.000 58.000 58.958 -0.958 17818 8081 1 16 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.771 -0.271 17818 8082 1 16 . 1 1 48 48 VAL H H 48 9.740 9.740 9.126 0.614 17818 8083 1 16 . 1 1 49 49 HIS N N 49 119.000 119.000 118.603 0.397 17818 8084 1 16 . 1 1 49 49 HIS HA H 49 5.810 5.810 5.347 0.463 17818 8085 1 16 . 1 1 49 49 HIS CA C 49 54.600 54.600 55.783 -1.183 17818 8086 1 16 . 1 1 49 49 HIS CB C 49 35.600 35.600 33.899 1.701 17818 8087 1 16 . 1 1 49 49 HIS H H 49 8.630 8.630 9.071 -0.441 17818 8088 1 16 . 1 1 50 50 TYR N N 50 116.800 116.800 122.120 -5.320 17818 8089 1 16 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.490 0.740 17818 8090 1 16 . 1 1 50 50 TYR CA C 50 56.000 56.000 54.913 1.087 17818 8091 1 16 . 1 1 50 50 TYR CB C 50 43.500 43.500 40.733 2.767 17818 8092 1 16 . 1 1 50 50 TYR H H 50 9.870 9.870 7.993 1.877 17818 8093 1 16 . 1 1 51 51 ASP N N 51 120.400 120.400 121.205 -0.805 17818 8094 1 16 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.795 0.155 17818 8095 1 16 . 1 1 51 51 ASP CA C 51 54.400 54.400 52.788 1.612 17818 8096 1 16 . 1 1 51 51 ASP CB C 51 44.900 44.900 45.705 -0.805 17818 8097 1 16 . 1 1 51 51 ASP H H 51 8.840 8.840 8.440 0.400 17818 8098 1 16 . 1 1 52 52 GLY N N 52 112.500 112.500 108.287 4.213 17818 8099 1 16 . 1 1 52 52 GLY CA C 52 45.300 45.300 44.369 0.931 17818 8100 1 16 . 1 1 52 52 GLY H H 52 9.130 9.130 8.632 0.498 17818 8101 1 16 . 1 1 53 53 ARG N N 53 125.200 125.200 123.533 1.667 17818 8102 1 16 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.618 0.412 17818 8103 1 16 . 1 1 53 53 ARG CA C 53 53.900 53.900 54.932 -1.032 17818 8104 1 16 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.733 0.067 17818 8105 1 16 . 1 1 53 53 ARG H H 53 9.370 9.370 8.510 0.860 17818 8106 1 16 . 1 1 54 54 PHE N N 54 119.400 119.400 122.061 -2.661 17818 8107 1 16 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.974 -0.734 17818 8108 1 16 . 1 1 54 54 PHE CA C 54 57.300 57.300 56.054 1.246 17818 8109 1 16 . 1 1 54 54 PHE CB C 54 37.700 37.700 39.071 -1.371 17818 8110 1 16 . 1 1 54 54 PHE H H 54 8.770 8.770 9.213 -0.443 17818 8111 1 16 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.291 -0.011 17818 8112 1 16 . 1 1 55 55 PRO CA C 55 65.700 65.700 64.774 0.926 17818 8113 1 16 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.752 0.048 17818 8114 1 16 . 1 1 56 56 ASP N N 56 113.600 113.600 117.876 -4.276 17818 8115 1 16 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.474 -0.004 17818 8116 1 16 . 1 1 56 56 ASP CA C 56 53.900 53.900 54.827 -0.926 17818 8117 1 16 . 1 1 56 56 ASP CB C 56 39.800 39.800 41.139 -1.339 17818 8118 1 16 . 1 1 56 56 ASP H H 56 7.780 7.780 8.118 -0.338 17818 8119 1 16 . 1 1 57 57 GLY N N 57 108.700 108.700 105.665 3.035 17818 8120 1 16 . 1 1 57 57 GLY CA C 57 44.900 44.900 44.902 -0.002 17818 8121 1 16 . 1 1 57 57 GLY H H 57 8.440 8.440 8.167 0.273 17818 8122 1 16 . 1 1 58 58 LYS N N 58 122.800 122.800 121.635 1.165 17818 8123 1 16 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.701 -0.451 17818 8124 1 16 . 1 1 58 58 LYS CA C 58 57.500 57.500 54.610 2.890 17818 8125 1 16 . 1 1 58 58 LYS CB C 58 32.600 32.600 34.179 -1.579 17818 8126 1 16 . 1 1 58 58 LYS H H 58 8.230 8.230 7.708 0.522 17818 8127 1 16 . 1 1 59 59 GLN N N 59 125.800 125.800 122.934 2.866 17818 8128 1 16 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.801 -0.351 17818 8129 1 16 . 1 1 59 59 GLN CA C 59 56.300 56.300 54.958 1.342 17818 8130 1 16 . 1 1 59 59 GLN CB C 59 30.900 30.900 30.029 0.871 17818 8131 1 16 . 1 1 59 59 GLN H H 59 8.810 8.810 8.598 0.212 17818 8132 1 16 . 1 1 60 60 PHE N N 60 121.200 121.200 125.275 -4.075 17818 8133 1 16 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.419 0.681 17818 8134 1 16 . 1 1 60 60 PHE CA C 60 56.500 56.500 60.405 -3.905 17818 8135 1 16 . 1 1 60 60 PHE CB C 60 40.900 40.900 39.888 1.012 17818 8136 1 16 . 1 1 60 60 PHE H H 60 8.340 8.340 9.070 -0.730 17818 8137 1 16 . 1 1 61 61 ASP N N 61 119.100 119.100 117.160 1.940 17818 8138 1 16 . 1 1 61 61 ASP CA C 61 54.700 54.700 53.984 0.716 17818 8139 1 16 . 1 1 61 61 ASP CB C 61 44.200 44.200 42.680 1.520 17818 8140 1 16 . 1 1 61 61 ASP H H 61 7.030 7.030 8.215 -1.185 17818 8141 1 16 . 1 1 62 62 SER N N 62 117.400 117.400 119.171 -1.771 17818 8142 1 16 . 1 1 62 62 SER CA C 62 57.000 57.000 56.184 0.816 17818 8143 1 16 . 1 1 62 62 SER CB C 62 64.800 64.800 64.647 0.153 17818 8144 1 16 . 1 1 62 62 SER H H 62 8.100 8.100 8.574 -0.474 17818 8145 1 16 . 1 1 63 63 SER N N 63 123.600 123.600 124.746 -1.146 17818 8146 1 16 . 1 1 63 63 SER HA H 63 4.200 4.200 4.467 -0.267 17818 8147 1 16 . 1 1 63 63 SER CA C 63 61.300 61.300 60.428 0.872 17818 8148 1 16 . 1 1 63 63 SER CB C 63 61.300 61.300 63.438 -2.138 17818 8149 1 16 . 1 1 63 63 SER H H 63 8.070 8.070 9.445 -1.375 17818 8150 1 16 . 1 1 64 64 ARG N N 64 124.000 124.000 122.011 1.989 17818 8151 1 16 . 1 1 64 64 ARG HA H 64 3.620 3.620 3.985 -0.365 17818 8152 1 16 . 1 1 64 64 ARG CA C 64 59.300 59.300 58.361 0.938 17818 8153 1 16 . 1 1 64 64 ARG CB C 64 28.800 28.800 28.716 0.084 17818 8154 1 16 . 1 1 64 64 ARG H H 64 8.810 8.810 8.416 0.394 17818 8155 1 16 . 1 1 65 65 SER N N 65 114.600 114.600 116.122 -1.522 17818 8156 1 16 . 1 1 65 65 SER HA H 65 4.190 4.190 4.256 -0.066 17818 8157 1 16 . 1 1 65 65 SER CA C 65 60.700 60.700 60.498 0.202 17818 8158 1 16 . 1 1 65 65 SER CB C 65 62.700 62.700 62.984 -0.284 17818 8159 1 16 . 1 1 65 65 SER H H 65 7.800 7.800 7.822 -0.022 17818 8160 1 16 . 1 1 66 66 ARG N N 66 118.000 118.000 118.830 -0.830 17818 8161 1 16 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.433 -0.013 17818 8162 1 16 . 1 1 66 66 ARG CA C 66 57.100 57.100 54.769 2.331 17818 8163 1 16 . 1 1 66 66 ARG CB C 66 31.500 31.500 30.514 0.986 17818 8164 1 16 . 1 1 66 66 ARG H H 66 7.110 7.110 7.651 -0.541 17818 8165 1 16 . 1 1 67 67 GLY N N 67 106.700 106.700 107.352 -0.652 17818 8166 1 16 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.747 0.053 17818 8167 1 16 . 1 1 67 67 GLY H H 67 7.800 7.800 7.629 0.171 17818 8168 1 16 . 1 1 68 68 LYS N N 68 117.600 117.600 121.426 -3.826 17818 8169 1 16 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.577 0.433 17818 8170 1 16 . 1 1 68 68 LYS CA C 68 53.100 53.100 53.742 -0.642 17818 8171 1 16 . 1 1 68 68 LYS CB C 68 34.900 34.900 33.288 1.612 17818 8172 1 16 . 1 1 68 68 LYS H H 68 7.440 7.440 7.539 -0.099 17818 8173 1 16 . 1 1 69 69 PRO HA H 69 4.060 4.060 5.172 -1.112 17818 8174 1 16 . 1 1 69 69 PRO CA C 69 62.700 62.700 61.451 1.249 17818 8175 1 16 . 1 1 69 69 PRO CB C 69 32.300 32.300 32.904 -0.604 17818 8176 1 16 . 1 1 70 70 PHE N N 70 123.200 123.200 115.920 7.280 17818 8177 1 16 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.887 0.153 17818 8178 1 16 . 1 1 70 70 PHE CA C 70 57.100 57.100 56.716 0.384 17818 8179 1 16 . 1 1 70 70 PHE CB C 70 42.900 42.900 43.150 -0.250 17818 8180 1 16 . 1 1 70 70 PHE H H 70 9.180 9.180 9.059 0.121 17818 8181 1 16 . 1 1 71 71 GLN N N 71 126.000 126.000 119.362 6.638 17818 8182 1 16 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.620 0.130 17818 8183 1 16 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.885 -1.585 17818 8184 1 16 . 1 1 71 71 GLN CB C 71 32.900 32.900 32.539 0.361 17818 8185 1 16 . 1 1 71 71 GLN H H 71 8.020 8.020 8.654 -0.634 17818 8186 1 16 . 1 1 72 72 PHE N N 72 116.800 116.800 119.348 -2.548 17818 8187 1 16 . 1 1 72 72 PHE HA H 72 4.700 4.700 5.285 -0.585 17818 8188 1 16 . 1 1 72 72 PHE CA C 72 55.500 55.500 56.344 -0.845 17818 8189 1 16 . 1 1 72 72 PHE CB C 72 40.900 40.900 42.142 -1.242 17818 8190 1 16 . 1 1 72 72 PHE H H 72 8.110 8.110 9.117 -1.007 17818 8191 1 16 . 1 1 73 73 THR N N 73 118.800 118.800 119.024 -0.224 17818 8192 1 16 . 1 1 73 73 THR HA H 73 3.960 3.960 4.395 -0.435 17818 8193 1 16 . 1 1 73 73 THR CA C 73 62.600 62.600 63.304 -0.704 17818 8194 1 16 . 1 1 73 73 THR CB C 73 67.500 67.500 68.522 -1.022 17818 8195 1 16 . 1 1 73 73 THR H H 73 9.080 9.080 9.269 -0.189 17818 8196 1 16 . 1 1 74 74 LEU N N 74 132.500 132.500 129.833 2.667 17818 8197 1 16 . 1 1 74 74 LEU HA H 74 4.140 4.140 3.718 0.422 17818 8198 1 16 . 1 1 74 74 LEU CA C 74 56.800 56.800 55.748 1.052 17818 8199 1 16 . 1 1 74 74 LEU CB C 74 41.800 41.800 41.862 -0.062 17818 8200 1 16 . 1 1 74 74 LEU H H 74 8.220 8.220 8.332 -0.112 17818 8201 1 16 . 1 1 75 75 GLY N N 75 118.100 118.100 113.847 4.253 17818 8202 1 16 . 1 1 75 75 GLY CA C 75 46.200 46.200 45.005 1.195 17818 8203 1 16 . 1 1 75 75 GLY H H 75 9.850 9.850 9.489 0.361 17818 8204 1 16 . 1 1 76 76 ALA N N 76 120.600 120.600 124.910 -4.310 17818 8205 1 16 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.520 -0.020 17818 8206 1 16 . 1 1 76 76 ALA CA C 76 51.900 51.900 51.611 0.289 17818 8207 1 16 . 1 1 76 76 ALA CB C 76 20.200 20.200 19.985 0.215 17818 8208 1 16 . 1 1 76 76 ALA H H 76 7.550 7.550 8.112 -0.562 17818 8209 1 16 . 1 1 77 77 GLY N N 77 110.500 110.500 103.995 6.505 17818 8210 1 16 . 1 1 77 77 GLY CA C 77 46.400 46.400 44.877 1.523 17818 8211 1 16 . 1 1 77 77 GLY H H 77 8.790 8.790 8.405 0.385 17818 8212 1 16 . 1 1 78 78 GLU N N 78 119.400 119.400 119.616 -0.216 17818 8213 1 16 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.120 0.030 17818 8214 1 16 . 1 1 78 78 GLU CA C 78 57.200 57.200 58.166 -0.966 17818 8215 1 16 . 1 1 78 78 GLU CB C 78 30.900 30.900 30.002 0.898 17818 8216 1 16 . 1 1 78 78 GLU H H 78 9.240 9.240 8.703 0.537 17818 8217 1 16 . 1 1 79 79 VAL N N 79 108.600 108.600 111.479 -2.879 17818 8218 1 16 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.382 -0.162 17818 8219 1 16 . 1 1 79 79 VAL CA C 79 57.300 57.300 59.573 -2.273 17818 8220 1 16 . 1 1 79 79 VAL CB C 79 35.400 35.400 34.997 0.403 17818 8221 1 16 . 1 1 79 79 VAL H H 79 6.760 6.760 7.192 -0.432 17818 8222 1 16 . 1 1 80 80 ILE N N 80 111.800 111.800 115.577 -3.777 17818 8223 1 16 . 1 1 80 80 ILE HA H 80 3.800 3.800 3.979 -0.179 17818 8224 1 16 . 1 1 80 80 ILE CA C 80 61.800 61.800 61.228 0.572 17818 8225 1 16 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.399 -0.399 17818 8226 1 16 . 1 1 80 80 ILE H H 80 7.300 7.300 7.948 -0.648 17818 8227 1 16 . 1 1 81 81 LYS N N 81 124.700 124.700 124.227 0.473 17818 8228 1 16 . 1 1 81 81 LYS HA H 81 4.160 4.160 3.958 0.202 17818 8229 1 16 . 1 1 81 81 LYS CA C 81 59.700 59.700 58.696 1.004 17818 8230 1 16 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.598 1.202 17818 8231 1 16 . 1 1 81 81 LYS H H 81 8.880 8.880 8.657 0.223 17818 8232 1 16 . 1 1 82 82 GLY N N 82 101.700 101.700 108.271 -6.571 17818 8233 1 16 . 1 1 82 82 GLY CA C 82 47.300 47.300 46.898 0.402 17818 8234 1 16 . 1 1 82 82 GLY H H 82 9.580 9.580 8.322 1.258 17818 8235 1 16 . 1 1 83 83 TRP N N 83 119.300 119.300 121.505 -2.205 17818 8236 1 16 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.290 -0.280 17818 8237 1 16 . 1 1 83 83 TRP CA C 83 59.300 59.300 56.676 2.624 17818 8238 1 16 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.317 0.783 17818 8239 1 16 . 1 1 83 83 TRP H H 83 7.450 7.450 6.935 0.515 17818 8240 1 16 . 1 1 84 84 ASP N N 84 120.900 120.900 119.634 1.266 17818 8241 1 16 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.413 -0.413 17818 8242 1 16 . 1 1 84 84 ASP CA C 84 58.200 58.200 58.079 0.121 17818 8243 1 16 . 1 1 84 84 ASP CB C 84 41.000 41.000 40.749 0.251 17818 8244 1 16 . 1 1 84 84 ASP H H 84 7.120 7.120 8.078 -0.958 17818 8245 1 16 . 1 1 85 85 GLN N N 85 114.500 114.500 117.880 -3.380 17818 8246 1 16 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.131 -0.131 17818 8247 1 16 . 1 1 85 85 GLN CA C 85 58.200 58.200 57.854 0.346 17818 8248 1 16 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.550 0.350 17818 8249 1 16 . 1 1 85 85 GLN H H 85 8.360 8.360 8.098 0.262 17818 8250 1 16 . 1 1 86 86 GLY N N 86 106.300 106.300 108.597 -2.297 17818 8251 1 16 . 1 1 86 86 GLY CA C 86 47.700 47.700 46.355 1.345 17818 8252 1 16 . 1 1 86 86 GLY H H 86 7.960 7.960 7.894 0.066 17818 8253 1 16 . 1 1 87 87 VAL N N 87 125.300 125.300 121.795 3.505 17818 8254 1 16 . 1 1 87 87 VAL HA H 87 3.630 3.630 3.969 -0.339 17818 8255 1 16 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.113 2.287 17818 8256 1 16 . 1 1 87 87 VAL CB C 87 30.300 30.300 31.834 -1.534 17818 8257 1 16 . 1 1 87 87 VAL H H 87 9.090 9.090 7.986 1.104 17818 8258 1 16 . 1 1 88 88 ALA N N 88 116.500 116.500 122.607 -6.107 17818 8259 1 16 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.117 -0.127 17818 8260 1 16 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.663 -0.363 17818 8261 1 16 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.536 0.064 17818 8262 1 16 . 1 1 88 88 ALA H H 88 6.750 6.750 7.891 -1.141 17818 8263 1 16 . 1 1 89 89 THR N N 89 105.500 105.500 112.738 -7.238 17818 8264 1 16 . 1 1 89 89 THR HA H 89 4.520 4.520 4.309 0.211 17818 8265 1 16 . 1 1 89 89 THR CA C 89 62.300 62.300 63.136 -0.836 17818 8266 1 16 . 1 1 89 89 THR CB C 89 71.100 71.100 69.077 2.023 17818 8267 1 16 . 1 1 89 89 THR H H 89 7.400 7.400 7.969 -0.569 17818 8268 1 16 . 1 1 90 90 MET N N 90 122.400 122.400 115.910 6.490 17818 8269 1 16 . 1 1 90 90 MET CA C 90 56.200 56.200 54.088 2.112 17818 8270 1 16 . 1 1 90 90 MET CB C 90 36.800 36.800 36.500 0.300 17818 8271 1 16 . 1 1 90 90 MET H H 90 7.550 7.550 7.472 0.078 17818 8272 1 16 . 1 1 91 91 THR N N 91 105.200 105.200 109.286 -4.086 17818 8273 1 16 . 1 1 91 91 THR HA H 91 5.120 5.120 4.826 0.294 17818 8274 1 16 . 1 1 91 91 THR CA C 91 59.800 59.800 59.434 0.366 17818 8275 1 16 . 1 1 91 91 THR CB C 91 71.900 71.900 72.205 -0.305 17818 8276 1 16 . 1 1 91 91 THR H H 91 7.350 7.350 8.226 -0.876 17818 8277 1 16 . 1 1 92 92 LEU N N 92 121.200 121.200 121.319 -0.119 17818 8278 1 16 . 1 1 92 92 LEU HA H 92 3.600 3.600 3.907 -0.307 17818 8279 1 16 . 1 1 92 92 LEU CA C 92 58.100 58.100 55.947 2.154 17818 8280 1 16 . 1 1 92 92 LEU CB C 92 43.400 43.400 42.864 0.536 17818 8281 1 16 . 1 1 92 92 LEU H H 92 8.180 8.180 8.124 0.056 17818 8282 1 16 . 1 1 93 93 GLY N N 93 115.800 115.800 112.322 3.478 17818 8283 1 16 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.314 -0.614 17818 8284 1 16 . 1 1 93 93 GLY H H 93 8.490 8.490 9.048 -0.558 17818 8285 1 16 . 1 1 94 94 GLU N N 94 123.700 123.700 120.442 3.258 17818 8286 1 16 . 1 1 94 94 GLU HA H 94 4.290 4.290 4.967 -0.677 17818 8287 1 16 . 1 1 94 94 GLU CA C 94 56.100 56.100 54.685 1.415 17818 8288 1 16 . 1 1 94 94 GLU CB C 94 33.500 33.500 33.175 0.325 17818 8289 1 16 . 1 1 94 94 GLU H H 94 8.650 8.650 7.626 1.024 17818 8290 1 16 . 1 1 95 95 LYS N N 95 124.200 124.200 126.353 -2.153 17818 8291 1 16 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.260 0.300 17818 8292 1 16 . 1 1 95 95 LYS CA C 95 54.600 54.600 54.809 -0.208 17818 8293 1 16 . 1 1 95 95 LYS CB C 95 35.300 35.300 36.299 -0.999 17818 8294 1 16 . 1 1 95 95 LYS H H 95 8.950 8.950 8.806 0.144 17818 8295 1 16 . 1 1 96 96 ALA N N 96 129.100 129.100 128.291 0.809 17818 8296 1 16 . 1 1 96 96 ALA HA H 96 4.990 4.990 5.205 -0.215 17818 8297 1 16 . 1 1 96 96 ALA CA C 96 50.500 50.500 50.787 -0.287 17818 8298 1 16 . 1 1 96 96 ALA CB C 96 23.900 23.900 23.308 0.592 17818 8299 1 16 . 1 1 96 96 ALA H H 96 9.530 9.530 9.356 0.174 17818 8300 1 16 . 1 1 97 97 LEU N N 97 122.200 122.200 122.461 -0.261 17818 8301 1 16 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.753 0.427 17818 8302 1 16 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.269 -1.269 17818 8303 1 16 . 1 1 97 97 LEU CB C 97 45.800 45.800 43.473 2.327 17818 8304 1 16 . 1 1 97 97 LEU H H 97 9.100 9.100 8.796 0.304 17818 8305 1 16 . 1 1 98 98 PHE N N 98 125.800 125.800 129.608 -3.808 17818 8306 1 16 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.650 0.050 17818 8307 1 16 . 1 1 98 98 PHE CA C 98 56.500 56.500 55.284 1.216 17818 8308 1 16 . 1 1 98 98 PHE CB C 98 42.300 42.300 43.169 -0.869 17818 8309 1 16 . 1 1 98 98 PHE H H 98 9.940 9.940 9.386 0.554 17818 8310 1 16 . 1 1 99 99 THR N N 99 121.600 121.600 125.310 -3.710 17818 8311 1 16 . 1 1 99 99 THR CA C 99 63.500 63.500 63.161 0.339 17818 8312 1 16 . 1 1 99 99 THR CB C 99 68.600 68.600 68.290 0.310 17818 8313 1 16 . 1 1 99 99 THR H H 99 9.100 9.100 8.746 0.354 17818 8314 1 16 . 1 1 100 100 ILE N N 100 127.400 127.400 128.718 -1.318 17818 8315 1 16 . 1 1 100 100 ILE CA C 100 58.700 58.700 57.180 1.520 17818 8316 1 16 . 1 1 100 100 ILE CB C 100 39.400 39.400 37.453 1.948 17818 8317 1 16 . 1 1 100 100 ILE H H 100 9.880 9.880 8.918 0.962 17818 8318 1 16 . 1 1 101 101 PRO CA C 101 62.200 62.200 63.147 -0.947 17818 8319 1 16 . 1 1 101 101 PRO CB C 101 32.500 32.500 31.725 0.775 17818 8320 1 16 . 1 1 102 102 TYR N N 102 118.100 118.100 121.711 -3.611 17818 8321 1 16 . 1 1 102 102 TYR HA H 102 4.470 4.470 3.993 0.477 17818 8322 1 16 . 1 1 102 102 TYR CA C 102 61.100 61.100 61.077 0.023 17818 8323 1 16 . 1 1 102 102 TYR CB C 102 37.000 37.000 37.080 -0.080 17818 8324 1 16 . 1 1 102 102 TYR H H 102 8.450 8.450 8.248 0.202 17818 8325 1 16 . 1 1 103 103 GLN N N 103 123.800 123.800 116.558 7.242 17818 8326 1 16 . 1 1 103 103 GLN HA H 103 4.050 4.050 3.937 0.113 17818 8327 1 16 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.000 2.500 17818 8328 1 16 . 1 1 103 103 GLN CB C 103 27.300 27.300 27.627 -0.327 17818 8329 1 16 . 1 1 103 103 GLN H H 103 9.080 9.080 7.433 1.647 17818 8330 1 16 . 1 1 104 104 LEU N N 104 116.800 116.800 119.981 -3.181 17818 8331 1 16 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.284 0.236 17818 8332 1 16 . 1 1 104 104 LEU CA C 104 53.100 53.100 54.085 -0.985 17818 8333 1 16 . 1 1 104 104 LEU CB C 104 43.400 43.400 41.513 1.887 17818 8334 1 16 . 1 1 104 104 LEU H H 104 7.790 7.790 7.429 0.361 17818 8335 1 16 . 1 1 105 105 ALA N N 105 125.400 125.400 120.940 4.460 17818 8336 1 16 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.339 0.131 17818 8337 1 16 . 1 1 105 105 ALA CA C 105 51.000 51.000 51.762 -0.762 17818 8338 1 16 . 1 1 105 105 ALA CB C 105 18.900 18.900 19.959 -1.059 17818 8339 1 16 . 1 1 105 105 ALA H H 105 7.780 7.780 7.166 0.614 17818 8340 1 16 . 1 1 106 106 TYR N N 106 122.000 122.000 116.651 5.349 17818 8341 1 16 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.637 -0.027 17818 8342 1 16 . 1 1 106 106 TYR CA C 106 59.300 59.300 58.419 0.881 17818 8343 1 16 . 1 1 106 106 TYR CB C 106 37.400 37.400 38.197 -0.797 17818 8344 1 16 . 1 1 106 106 TYR H H 106 9.430 9.430 8.502 0.928 17818 8345 1 16 . 1 1 107 107 GLY N N 107 105.500 105.500 109.772 -4.272 17818 8346 1 16 . 1 1 107 107 GLY CA C 107 46.500 46.500 46.380 0.120 17818 8347 1 16 . 1 1 107 107 GLY H H 107 8.490 8.490 8.270 0.220 17818 8348 1 16 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.178 -0.668 17818 8349 1 16 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.707 -0.207 17818 8350 1 16 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.634 -0.034 17818 8351 1 16 . 1 1 109 109 ARG N N 109 115.900 115.900 118.403 -2.503 17818 8352 1 16 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.225 -0.045 17818 8353 1 16 . 1 1 109 109 ARG CA C 109 57.400 57.400 55.647 1.753 17818 8354 1 16 . 1 1 109 109 ARG CB C 109 30.700 30.700 31.710 -1.010 17818 8355 1 16 . 1 1 109 109 ARG H H 109 8.840 8.840 7.526 1.314 17818 8356 1 16 . 1 1 110 110 GLY N N 110 130.700 130.700 109.308 21.392 17818 8357 1 16 . 1 1 110 110 GLY CA C 110 44.800 44.800 45.382 -0.582 17818 8358 1 16 . 1 1 110 110 GLY H H 110 7.140 7.140 8.113 -0.973 17818 8359 1 16 . 1 1 111 111 TYR N N 111 119.700 119.700 123.415 -3.715 17818 8360 1 16 . 1 1 111 111 TYR CA C 111 54.500 54.500 59.409 -4.909 17818 8361 1 16 . 1 1 111 111 TYR CB C 111 38.600 38.600 36.815 1.785 17818 8362 1 16 . 1 1 111 111 TYR H H 111 8.570 8.570 8.582 -0.012 17818 8363 1 16 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.429 -0.629 17818 8364 1 16 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.872 2.429 17818 8365 1 16 . 1 1 114 114 VAL N N 114 122.900 122.900 116.909 5.991 17818 8366 1 16 . 1 1 114 114 VAL HA H 114 3.850 3.850 3.891 -0.041 17818 8367 1 16 . 1 1 114 114 VAL CA C 114 65.600 65.600 63.511 2.089 17818 8368 1 16 . 1 1 114 114 VAL CB C 114 33.000 33.000 31.865 1.135 17818 8369 1 16 . 1 1 114 114 VAL H H 114 7.870 7.870 7.595 0.275 17818 8370 1 16 . 1 1 115 115 ILE N N 115 118.100 118.100 120.938 -2.838 17818 8371 1 16 . 1 1 115 115 ILE CA C 115 56.300 56.300 57.058 -0.758 17818 8372 1 16 . 1 1 115 115 ILE CB C 115 37.700 37.700 37.962 -0.262 17818 8373 1 16 . 1 1 115 115 ILE H H 115 7.550 7.550 7.744 -0.194 17818 8374 1 16 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.428 -0.808 17818 8375 1 16 . 1 1 117 117 PRO CA C 117 63.400 63.400 62.970 0.430 17818 8376 1 16 . 1 1 117 117 PRO CB C 117 32.800 32.800 32.362 0.438 17818 8377 1 16 . 1 1 118 118 LYS N N 118 115.100 115.100 115.745 -0.645 17818 8378 1 16 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.416 -0.836 17818 8379 1 16 . 1 1 118 118 LYS CA C 118 57.900 57.900 57.046 0.854 17818 8380 1 16 . 1 1 118 118 LYS CB C 118 29.700 29.700 30.259 -0.559 17818 8381 1 16 . 1 1 118 118 LYS H H 118 7.330 7.330 8.322 -0.992 17818 8382 1 16 . 1 1 119 119 ALA N N 119 121.900 121.900 120.701 1.199 17818 8383 1 16 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.771 -0.321 17818 8384 1 16 . 1 1 119 119 ALA CA C 119 52.700 52.700 50.590 2.110 17818 8385 1 16 . 1 1 119 119 ALA CB C 119 20.100 20.100 20.157 -0.057 17818 8386 1 16 . 1 1 119 119 ALA H H 119 7.900 7.900 7.723 0.177 17818 8387 1 16 . 1 1 120 120 THR N N 120 121.800 121.800 122.112 -0.312 17818 8388 1 16 . 1 1 120 120 THR CA C 120 63.100 63.100 64.615 -1.515 17818 8389 1 16 . 1 1 120 120 THR CB C 120 69.800 69.800 69.547 0.253 17818 8390 1 16 . 1 1 120 120 THR H H 120 8.170 8.170 8.443 -0.273 17818 8391 1 16 . 1 1 121 121 LEU N N 121 124.200 124.200 126.304 -2.104 17818 8392 1 16 . 1 1 121 121 LEU CA C 121 53.100 53.100 53.277 -0.177 17818 8393 1 16 . 1 1 121 121 LEU CB C 121 46.300 46.300 45.979 0.321 17818 8394 1 16 . 1 1 121 121 LEU H H 121 8.640 8.640 8.791 -0.151 17818 8395 1 16 . 1 1 122 122 VAL N N 122 122.200 122.200 123.062 -0.862 17818 8396 1 16 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.422 0.868 17818 8397 1 16 . 1 1 122 122 VAL CA C 122 60.700 60.700 62.006 -1.306 17818 8398 1 16 . 1 1 122 122 VAL CB C 122 33.300 33.300 33.033 0.267 17818 8399 1 16 . 1 1 122 122 VAL H H 122 8.860 8.860 8.621 0.239 17818 8400 1 16 . 1 1 123 123 PHE N N 123 122.900 122.900 126.144 -3.244 17818 8401 1 16 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.533 -0.133 17818 8402 1 16 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.002 -0.602 17818 8403 1 16 . 1 1 123 123 PHE CB C 123 44.000 44.000 42.506 1.494 17818 8404 1 16 . 1 1 123 123 PHE H H 123 9.620 9.620 9.518 0.102 17818 8405 1 16 . 1 1 124 124 GLU N N 124 125.500 125.500 125.771 -0.271 17818 8406 1 16 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.778 1.122 17818 8407 1 16 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.569 -0.969 17818 8408 1 16 . 1 1 124 124 GLU CB C 124 31.800 31.800 29.716 2.083 17818 8409 1 16 . 1 1 124 124 GLU H H 124 9.180 9.180 8.817 0.363 17818 8410 1 16 . 1 1 125 125 VAL N N 125 128.100 128.100 120.535 7.565 17818 8411 1 16 . 1 1 125 125 VAL CA C 125 61.300 61.300 59.333 1.967 17818 8412 1 16 . 1 1 125 125 VAL CB C 125 35.800 35.800 34.685 1.115 17818 8413 1 16 . 1 1 125 125 VAL H H 125 9.600 9.600 9.127 0.473 17818 8414 1 16 . 1 1 126 126 GLU N N 126 128.500 128.500 123.771 4.729 17818 8415 1 16 . 1 1 126 126 GLU HA H 126 5.630 5.630 5.272 0.358 17818 8416 1 16 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.987 -1.487 17818 8417 1 16 . 1 1 126 126 GLU CB C 126 34.000 34.000 34.451 -0.451 17818 8418 1 16 . 1 1 126 126 GLU H H 126 9.420 9.420 9.365 0.055 17818 8419 1 16 . 1 1 127 127 LEU N N 127 127.900 127.900 127.600 0.300 17818 8420 1 16 . 1 1 127 127 LEU CA C 127 55.100 55.100 53.901 1.199 17818 8421 1 16 . 1 1 127 127 LEU CB C 127 41.400 41.400 42.338 -0.938 17818 8422 1 16 . 1 1 127 127 LEU H H 127 8.720 8.720 8.945 -0.225 17818 8423 1 16 . 1 1 128 128 LEU N N 128 128.700 128.700 128.392 0.308 17818 8424 1 16 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.512 -0.112 17818 8425 1 16 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.443 0.457 17818 8426 1 16 . 1 1 128 128 LEU CB C 128 43.700 43.700 42.098 1.602 17818 8427 1 16 . 1 1 128 128 LEU H H 128 8.690 8.690 8.939 -0.249 17818 8428 1 16 . 1 1 129 129 ALA N N 129 118.600 118.600 116.996 1.604 17818 8429 1 16 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.487 -0.027 17818 8430 1 16 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.750 1.050 17818 8431 1 16 . 1 1 129 129 ALA CB C 129 21.100 21.100 20.442 0.658 17818 8432 1 16 . 1 1 129 129 ALA H H 129 7.810 7.810 7.869 -0.059 17818 8433 1 17 . 1 1 8 8 HIS CA C 8 54.700 54.700 57.606 -2.906 17818 8434 1 17 . 1 1 8 8 HIS CB C 8 31.200 31.200 30.554 0.646 17818 8435 1 17 . 1 1 9 9 MET N N 9 120.000 120.000 116.550 3.450 17818 8436 1 17 . 1 1 9 9 MET HA H 9 4.280 4.280 3.943 0.337 17818 8437 1 17 . 1 1 9 9 MET CA C 9 55.500 55.500 56.177 -0.677 17818 8438 1 17 . 1 1 9 9 MET CB C 9 32.500 32.500 30.928 1.572 17818 8439 1 17 . 1 1 9 9 MET H H 9 8.110 8.110 8.689 -0.579 17818 8440 1 17 . 1 1 10 10 GLY N N 10 109.800 109.800 104.436 5.364 17818 8441 1 17 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.322 -0.022 17818 8442 1 17 . 1 1 10 10 GLY H H 10 8.440 8.440 8.481 -0.041 17818 8443 1 17 . 1 1 11 11 THR N N 11 113.600 113.600 115.869 -2.269 17818 8444 1 17 . 1 1 11 11 THR HA H 11 4.330 4.330 3.944 0.386 17818 8445 1 17 . 1 1 11 11 THR CA C 11 62.000 62.000 65.490 -3.490 17818 8446 1 17 . 1 1 11 11 THR CB C 11 69.900 69.900 68.463 1.437 17818 8447 1 17 . 1 1 11 11 THR H H 11 8.070 8.070 8.080 -0.010 17818 8448 1 17 . 1 1 12 12 LEU N N 12 124.200 124.200 120.766 3.434 17818 8449 1 17 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.710 -0.390 17818 8450 1 17 . 1 1 12 12 LEU CA C 12 55.500 55.500 55.335 0.165 17818 8451 1 17 . 1 1 12 12 LEU CB C 12 42.100 42.100 44.123 -2.023 17818 8452 1 17 . 1 1 12 12 LEU H H 12 8.380 8.380 8.157 0.223 17818 8453 1 17 . 1 1 13 13 GLU N N 13 121.600 121.600 120.733 0.867 17818 8454 1 17 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.484 -0.284 17818 8455 1 17 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.303 0.597 17818 8456 1 17 . 1 1 13 13 GLU CB C 13 30.000 30.000 30.244 -0.244 17818 8457 1 17 . 1 1 13 13 GLU H H 13 8.430 8.430 8.163 0.267 17818 8458 1 17 . 1 1 14 14 ALA N N 14 124.400 124.400 125.599 -1.199 17818 8459 1 17 . 1 1 14 14 ALA HA H 14 4.270 4.270 3.976 0.294 17818 8460 1 17 . 1 1 14 14 ALA CA C 14 52.700 52.700 53.622 -0.922 17818 8461 1 17 . 1 1 14 14 ALA CB C 14 19.100 19.100 17.135 1.965 17818 8462 1 17 . 1 1 14 14 ALA H H 14 8.290 8.290 8.636 -0.346 17818 8463 1 17 . 1 1 15 15 GLN N N 15 119.100 119.100 119.333 -0.233 17818 8464 1 17 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.255 0.135 17818 8465 1 17 . 1 1 15 15 GLN CA C 15 56.000 56.000 55.848 0.152 17818 8466 1 17 . 1 1 15 15 GLN CB C 15 29.400 29.400 28.984 0.416 17818 8467 1 17 . 1 1 15 15 GLN H H 15 8.370 8.370 7.921 0.449 17818 8468 1 17 . 1 1 16 16 THR N N 16 114.900 114.900 114.758 0.142 17818 8469 1 17 . 1 1 16 16 THR CA C 16 62.100 62.100 62.584 -0.484 17818 8470 1 17 . 1 1 16 16 THR CB C 16 69.800 69.800 67.503 2.297 17818 8471 1 17 . 1 1 16 16 THR H H 16 8.200 8.200 8.782 -0.582 17818 8472 1 17 . 1 1 17 17 GLN N N 17 122.200 122.200 122.705 -0.505 17818 8473 1 17 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.395 0.035 17818 8474 1 17 . 1 1 17 17 GLN CA C 17 55.600 55.600 56.075 -0.475 17818 8475 1 17 . 1 1 17 17 GLN CB C 17 29.700 29.700 30.071 -0.371 17818 8476 1 17 . 1 1 17 17 GLN H H 17 8.420 8.420 7.935 0.485 17818 8477 1 17 . 1 1 18 18 GLY N N 18 110.100 110.100 112.136 -2.036 17818 8478 1 17 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.981 -0.381 17818 8479 1 17 . 1 1 18 18 GLY H H 18 8.360 8.360 7.761 0.599 17818 8480 1 17 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.745 -0.305 17818 8481 1 17 . 1 1 19 19 PRO CA C 19 63.600 63.600 62.724 0.876 17818 8482 1 17 . 1 1 19 19 PRO CB C 19 32.000 32.000 30.726 1.274 17818 8483 1 17 . 1 1 20 20 GLY N N 20 109.400 109.400 110.756 -1.356 17818 8484 1 17 . 1 1 20 20 GLY CA C 20 45.300 45.300 45.950 -0.650 17818 8485 1 17 . 1 1 20 20 GLY H H 20 8.630 8.630 8.250 0.380 17818 8486 1 17 . 1 1 21 21 SER N N 21 115.400 115.400 118.018 -2.618 17818 8487 1 17 . 1 1 21 21 SER CA C 21 63.800 63.800 58.937 4.863 17818 8488 1 17 . 1 1 21 21 SER CB C 21 69.800 69.800 62.929 6.871 17818 8489 1 17 . 1 1 21 21 SER H H 21 4.180 4.180 8.399 -4.219 17818 8490 1 17 . 1 1 22 22 MET N N 22 121.900 121.900 121.644 0.256 17818 8491 1 17 . 1 1 22 22 MET CA C 22 55.500 55.500 56.443 -0.943 17818 8492 1 17 . 1 1 22 22 MET CB C 22 32.800 32.800 32.759 0.041 17818 8493 1 17 . 1 1 22 22 MET H H 22 8.440 8.440 8.073 0.367 17818 8494 1 17 . 1 1 23 23 SER N N 23 116.600 116.600 120.259 -3.659 17818 8495 1 17 . 1 1 23 23 SER HA H 23 4.400 4.400 4.048 0.352 17818 8496 1 17 . 1 1 23 23 SER CA C 23 58.300 58.300 60.559 -2.259 17818 8497 1 17 . 1 1 23 23 SER CB C 23 63.700 63.700 63.379 0.321 17818 8498 1 17 . 1 1 23 23 SER H H 23 8.290 8.290 8.708 -0.418 17818 8499 1 17 . 1 1 24 24 ALA N N 24 125.700 125.700 123.343 2.357 17818 8500 1 17 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.319 -0.029 17818 8501 1 17 . 1 1 24 24 ALA CA C 24 52.100 52.100 51.386 0.714 17818 8502 1 17 . 1 1 24 24 ALA CB C 24 19.300 19.300 19.070 0.230 17818 8503 1 17 . 1 1 24 24 ALA H H 24 8.200 8.200 7.697 0.503 17818 8504 1 17 . 1 1 25 25 GLN N N 25 118.300 118.300 122.958 -4.658 17818 8505 1 17 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.693 -0.183 17818 8506 1 17 . 1 1 25 25 GLN CA C 25 54.200 54.200 54.999 -0.799 17818 8507 1 17 . 1 1 25 25 GLN CB C 25 31.300 31.300 31.667 -0.367 17818 8508 1 17 . 1 1 25 25 GLN H H 25 8.280 8.280 8.507 -0.227 17818 8509 1 17 . 1 1 26 26 LEU N N 26 122.100 122.100 124.075 -1.975 17818 8510 1 17 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.474 -0.014 17818 8511 1 17 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.717 0.583 17818 8512 1 17 . 1 1 26 26 LEU CB C 26 43.500 43.500 43.195 0.305 17818 8513 1 17 . 1 1 26 26 LEU H H 26 8.480 8.480 8.414 0.066 17818 8514 1 17 . 1 1 27 27 GLU N N 27 125.300 125.300 126.112 -0.812 17818 8515 1 17 . 1 1 27 27 GLU CA C 27 55.300 55.300 55.402 -0.102 17818 8516 1 17 . 1 1 27 27 GLU CB C 27 32.400 32.400 32.771 -0.371 17818 8517 1 17 . 1 1 27 27 GLU H H 27 8.240 8.240 8.108 0.132 17818 8518 1 17 . 1 1 28 28 LYS N N 28 125.000 125.000 124.458 0.542 17818 8519 1 17 . 1 1 28 28 LYS HA H 28 4.610 4.610 4.897 -0.287 17818 8520 1 17 . 1 1 28 28 LYS CA C 28 54.500 54.500 54.306 0.195 17818 8521 1 17 . 1 1 28 28 LYS CB C 28 35.700 35.700 33.599 2.101 17818 8522 1 17 . 1 1 28 28 LYS H H 28 8.810 8.810 8.339 0.471 17818 8523 1 17 . 1 1 29 29 LYS N N 29 128.100 128.100 126.554 1.546 17818 8524 1 17 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.527 0.503 17818 8525 1 17 . 1 1 29 29 LYS CA C 29 55.000 55.000 55.079 -0.079 17818 8526 1 17 . 1 1 29 29 LYS CB C 29 36.200 36.200 34.320 1.880 17818 8527 1 17 . 1 1 29 29 LYS H H 29 8.850 8.850 8.668 0.182 17818 8528 1 17 . 1 1 30 30 VAL N N 30 127.200 127.200 127.977 -0.777 17818 8529 1 17 . 1 1 30 30 VAL HA H 30 3.660 3.660 3.932 -0.272 17818 8530 1 17 . 1 1 30 30 VAL CA C 30 64.800 64.800 63.896 0.904 17818 8531 1 17 . 1 1 30 30 VAL CB C 30 31.600 31.600 31.382 0.218 17818 8532 1 17 . 1 1 30 30 VAL H H 30 9.170 9.170 8.850 0.320 17818 8533 1 17 . 1 1 31 31 LEU N N 31 129.800 129.800 130.096 -0.296 17818 8534 1 17 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.513 -0.073 17818 8535 1 17 . 1 1 31 31 LEU CA C 31 56.000 56.000 55.711 0.289 17818 8536 1 17 . 1 1 31 31 LEU CB C 31 41.800 41.800 43.599 -1.798 17818 8537 1 17 . 1 1 31 31 LEU H H 31 9.020 9.020 8.663 0.357 17818 8538 1 17 . 1 1 32 32 THR N N 32 115.700 115.700 116.157 -0.457 17818 8539 1 17 . 1 1 32 32 THR CA C 32 59.300 59.300 60.212 -0.912 17818 8540 1 17 . 1 1 32 32 THR CB C 32 72.500 72.500 70.360 2.140 17818 8541 1 17 . 1 1 32 32 THR H H 32 8.220 8.220 8.019 0.201 17818 8542 1 17 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.414 -0.124 17818 8543 1 17 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.515 0.485 17818 8544 1 17 . 1 1 33 33 PRO CB C 33 32.400 32.400 31.674 0.726 17818 8545 1 17 . 1 1 34 34 GLY N N 34 109.400 109.400 112.025 -2.625 17818 8546 1 17 . 1 1 34 34 GLY CA C 34 44.200 44.200 43.598 0.602 17818 8547 1 17 . 1 1 34 34 GLY H H 34 9.010 9.010 8.133 0.877 17818 8548 1 17 . 1 1 35 35 ASP N N 35 119.400 119.400 119.816 -0.416 17818 8549 1 17 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.325 0.005 17818 8550 1 17 . 1 1 35 35 ASP CA C 35 54.700 54.700 57.662 -2.962 17818 8551 1 17 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.089 -1.689 17818 8552 1 17 . 1 1 35 35 ASP H H 35 8.370 8.370 8.320 0.050 17818 8553 1 17 . 1 1 36 36 GLY N N 36 107.900 107.900 107.040 0.860 17818 8554 1 17 . 1 1 36 36 GLY CA C 36 46.000 46.000 46.859 -0.859 17818 8555 1 17 . 1 1 36 36 GLY H H 36 8.750 8.750 8.154 0.596 17818 8556 1 17 . 1 1 37 37 VAL N N 37 116.200 116.200 116.763 -0.563 17818 8557 1 17 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.132 0.368 17818 8558 1 17 . 1 1 37 37 VAL CA C 37 62.500 62.500 64.394 -1.894 17818 8559 1 17 . 1 1 37 37 VAL CB C 37 35.900 35.900 31.705 4.195 17818 8560 1 17 . 1 1 37 37 VAL H H 37 8.590 8.590 7.495 1.095 17818 8561 1 17 . 1 1 38 38 THR N N 38 126.400 126.400 113.659 12.741 17818 8562 1 17 . 1 1 38 38 THR HA H 38 4.210 4.210 4.125 0.085 17818 8563 1 17 . 1 1 38 38 THR CA C 38 63.300 63.300 62.386 0.914 17818 8564 1 17 . 1 1 38 38 THR CB C 38 65.800 65.800 67.549 -1.749 17818 8565 1 17 . 1 1 38 38 THR H H 38 10.650 10.650 7.963 2.687 17818 8566 1 17 . 1 1 39 39 LYS N N 39 127.000 127.000 127.186 -0.186 17818 8567 1 17 . 1 1 39 39 LYS CA C 39 53.400 53.400 54.040 -0.640 17818 8568 1 17 . 1 1 39 39 LYS CB C 39 33.200 33.200 33.217 -0.017 17818 8569 1 17 . 1 1 39 39 LYS H H 39 8.390 8.390 7.878 0.512 17818 8570 1 17 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.650 -0.450 17818 8571 1 17 . 1 1 40 40 PRO CB C 40 33.300 33.300 32.570 0.730 17818 8572 1 17 . 1 1 41 41 GLN N N 41 120.900 120.900 114.668 6.232 17818 8573 1 17 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.488 -0.028 17818 8574 1 17 . 1 1 41 41 GLN CA C 41 53.700 53.700 54.569 -0.869 17818 8575 1 17 . 1 1 41 41 GLN CB C 41 31.500 31.500 30.631 0.869 17818 8576 1 17 . 1 1 41 41 GLN H H 41 8.750 8.750 8.022 0.728 17818 8577 1 17 . 1 1 42 42 ALA N N 42 125.700 125.700 122.917 2.783 17818 8578 1 17 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.316 -0.536 17818 8579 1 17 . 1 1 42 42 ALA CA C 42 53.400 53.400 52.173 1.227 17818 8580 1 17 . 1 1 42 42 ALA CB C 42 17.800 17.800 18.464 -0.664 17818 8581 1 17 . 1 1 42 42 ALA H H 42 8.550 8.550 8.444 0.106 17818 8582 1 17 . 1 1 43 43 GLY N N 43 109.700 109.700 112.513 -2.813 17818 8583 1 17 . 1 1 43 43 GLY CA C 43 45.200 45.200 44.820 0.380 17818 8584 1 17 . 1 1 43 43 GLY H H 43 8.970 8.970 8.992 -0.022 17818 8585 1 17 . 1 1 44 44 LYS N N 44 120.300 120.300 120.961 -0.661 17818 8586 1 17 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.551 0.119 17818 8587 1 17 . 1 1 44 44 LYS CA C 44 53.800 53.800 54.130 -0.330 17818 8588 1 17 . 1 1 44 44 LYS CB C 44 34.100 34.100 35.622 -1.522 17818 8589 1 17 . 1 1 44 44 LYS H H 44 7.920 7.920 7.421 0.499 17818 8590 1 17 . 1 1 45 45 LYS N N 45 120.800 120.800 127.670 -6.870 17818 8591 1 17 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.388 0.132 17818 8592 1 17 . 1 1 45 45 LYS CA C 45 56.300 56.300 55.911 0.389 17818 8593 1 17 . 1 1 45 45 LYS CB C 45 32.900 32.900 31.652 1.248 17818 8594 1 17 . 1 1 45 45 LYS H H 45 8.340 8.340 8.541 -0.201 17818 8595 1 17 . 1 1 46 46 VAL N N 46 117.600 117.600 123.361 -5.761 17818 8596 1 17 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.461 0.099 17818 8597 1 17 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.071 -0.171 17818 8598 1 17 . 1 1 46 46 VAL CB C 46 33.900 33.900 34.894 -0.994 17818 8599 1 17 . 1 1 46 46 VAL H H 46 8.560 8.560 8.720 -0.160 17818 8600 1 17 . 1 1 47 47 THR N N 47 115.600 115.600 119.538 -3.938 17818 8601 1 17 . 1 1 47 47 THR HA H 47 5.100 5.100 4.872 0.228 17818 8602 1 17 . 1 1 47 47 THR CA C 47 61.600 61.600 62.211 -0.611 17818 8603 1 17 . 1 1 47 47 THR CB C 47 69.800 69.800 68.995 0.805 17818 8604 1 17 . 1 1 47 47 THR H H 47 8.130 8.130 8.538 -0.408 17818 8605 1 17 . 1 1 48 48 VAL N N 48 118.100 118.100 121.056 -2.956 17818 8606 1 17 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.275 0.515 17818 8607 1 17 . 1 1 48 48 VAL CA C 48 58.000 58.000 58.613 -0.613 17818 8608 1 17 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.898 -0.398 17818 8609 1 17 . 1 1 48 48 VAL H H 48 9.740 9.740 9.277 0.463 17818 8610 1 17 . 1 1 49 49 HIS N N 49 119.000 119.000 119.259 -0.259 17818 8611 1 17 . 1 1 49 49 HIS HA H 49 5.810 5.810 5.030 0.780 17818 8612 1 17 . 1 1 49 49 HIS CA C 49 54.600 54.600 54.536 0.064 17818 8613 1 17 . 1 1 49 49 HIS CB C 49 35.600 35.600 33.833 1.767 17818 8614 1 17 . 1 1 49 49 HIS H H 49 8.630 8.630 9.029 -0.399 17818 8615 1 17 . 1 1 50 50 TYR N N 50 116.800 116.800 120.292 -3.492 17818 8616 1 17 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.565 0.665 17818 8617 1 17 . 1 1 50 50 TYR CA C 50 56.000 56.000 54.882 1.118 17818 8618 1 17 . 1 1 50 50 TYR CB C 50 43.500 43.500 40.767 2.733 17818 8619 1 17 . 1 1 50 50 TYR H H 50 9.870 9.870 8.066 1.804 17818 8620 1 17 . 1 1 51 51 ASP N N 51 120.400 120.400 118.866 1.534 17818 8621 1 17 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.934 0.016 17818 8622 1 17 . 1 1 51 51 ASP CA C 51 54.400 54.400 52.907 1.493 17818 8623 1 17 . 1 1 51 51 ASP CB C 51 44.900 44.900 45.267 -0.367 17818 8624 1 17 . 1 1 51 51 ASP H H 51 8.840 8.840 8.538 0.302 17818 8625 1 17 . 1 1 52 52 GLY N N 52 112.500 112.500 107.591 4.909 17818 8626 1 17 . 1 1 52 52 GLY CA C 52 45.300 45.300 44.204 1.096 17818 8627 1 17 . 1 1 52 52 GLY H H 52 9.130 9.130 8.508 0.622 17818 8628 1 17 . 1 1 53 53 ARG N N 53 125.200 125.200 120.038 5.162 17818 8629 1 17 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.589 0.441 17818 8630 1 17 . 1 1 53 53 ARG CA C 53 53.900 53.900 54.807 -0.907 17818 8631 1 17 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.745 0.055 17818 8632 1 17 . 1 1 53 53 ARG H H 53 9.370 9.370 8.511 0.859 17818 8633 1 17 . 1 1 54 54 PHE N N 54 119.400 119.400 121.841 -2.441 17818 8634 1 17 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.881 -0.641 17818 8635 1 17 . 1 1 54 54 PHE CA C 54 57.300 57.300 56.480 0.820 17818 8636 1 17 . 1 1 54 54 PHE CB C 54 37.700 37.700 38.731 -1.031 17818 8637 1 17 . 1 1 54 54 PHE H H 54 8.770 8.770 8.741 0.029 17818 8638 1 17 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.237 0.043 17818 8639 1 17 . 1 1 55 55 PRO CA C 55 65.700 65.700 64.857 0.843 17818 8640 1 17 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.815 -0.015 17818 8641 1 17 . 1 1 56 56 ASP N N 56 113.600 113.600 115.066 -1.466 17818 8642 1 17 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.466 0.004 17818 8643 1 17 . 1 1 56 56 ASP CA C 56 53.900 53.900 54.719 -0.819 17818 8644 1 17 . 1 1 56 56 ASP CB C 56 39.800 39.800 40.606 -0.806 17818 8645 1 17 . 1 1 56 56 ASP H H 56 7.780 7.780 8.479 -0.699 17818 8646 1 17 . 1 1 57 57 GLY N N 57 108.700 108.700 106.662 2.038 17818 8647 1 17 . 1 1 57 57 GLY CA C 57 44.900 44.900 44.633 0.267 17818 8648 1 17 . 1 1 57 57 GLY H H 57 8.440 8.440 7.824 0.616 17818 8649 1 17 . 1 1 58 58 LYS N N 58 122.800 122.800 121.019 1.781 17818 8650 1 17 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.380 -0.130 17818 8651 1 17 . 1 1 58 58 LYS CA C 58 57.500 57.500 55.926 1.574 17818 8652 1 17 . 1 1 58 58 LYS CB C 58 32.600 32.600 33.588 -0.988 17818 8653 1 17 . 1 1 58 58 LYS H H 58 8.230 8.230 8.367 -0.137 17818 8654 1 17 . 1 1 59 59 GLN N N 59 125.800 125.800 119.559 6.241 17818 8655 1 17 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.784 -0.334 17818 8656 1 17 . 1 1 59 59 GLN CA C 59 56.300 56.300 54.943 1.357 17818 8657 1 17 . 1 1 59 59 GLN CB C 59 30.900 30.900 31.464 -0.564 17818 8658 1 17 . 1 1 59 59 GLN H H 59 8.810 8.810 8.349 0.461 17818 8659 1 17 . 1 1 60 60 PHE N N 60 121.200 121.200 125.685 -4.485 17818 8660 1 17 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.601 0.499 17818 8661 1 17 . 1 1 60 60 PHE CA C 60 56.500 56.500 59.937 -3.437 17818 8662 1 17 . 1 1 60 60 PHE CB C 60 40.900 40.900 40.135 0.765 17818 8663 1 17 . 1 1 60 60 PHE H H 60 8.340 8.340 8.929 -0.589 17818 8664 1 17 . 1 1 61 61 ASP N N 61 119.100 119.100 115.873 3.227 17818 8665 1 17 . 1 1 61 61 ASP CA C 61 54.700 54.700 53.523 1.177 17818 8666 1 17 . 1 1 61 61 ASP CB C 61 44.200 44.200 43.158 1.042 17818 8667 1 17 . 1 1 61 61 ASP H H 61 7.030 7.030 8.025 -0.995 17818 8668 1 17 . 1 1 62 62 SER N N 62 117.400 117.400 120.451 -3.051 17818 8669 1 17 . 1 1 62 62 SER CA C 62 57.000 57.000 58.437 -1.437 17818 8670 1 17 . 1 1 62 62 SER CB C 62 64.800 64.800 62.809 1.991 17818 8671 1 17 . 1 1 62 62 SER H H 62 8.100 8.100 8.568 -0.468 17818 8672 1 17 . 1 1 63 63 SER N N 63 123.600 123.600 121.501 2.099 17818 8673 1 17 . 1 1 63 63 SER HA H 63 4.200 4.200 4.302 -0.102 17818 8674 1 17 . 1 1 63 63 SER CA C 63 61.300 61.300 60.402 0.898 17818 8675 1 17 . 1 1 63 63 SER CB C 63 61.300 61.300 63.024 -1.724 17818 8676 1 17 . 1 1 63 63 SER H H 63 8.070 8.070 8.941 -0.871 17818 8677 1 17 . 1 1 64 64 ARG N N 64 124.000 124.000 119.658 4.342 17818 8678 1 17 . 1 1 64 64 ARG HA H 64 3.620 3.620 4.413 -0.793 17818 8679 1 17 . 1 1 64 64 ARG CA C 64 59.300 59.300 58.994 0.306 17818 8680 1 17 . 1 1 64 64 ARG CB C 64 28.800 28.800 29.761 -0.961 17818 8681 1 17 . 1 1 64 64 ARG H H 64 8.810 8.810 8.297 0.513 17818 8682 1 17 . 1 1 65 65 SER N N 65 114.600 114.600 113.622 0.978 17818 8683 1 17 . 1 1 65 65 SER HA H 65 4.190 4.190 4.377 -0.187 17818 8684 1 17 . 1 1 65 65 SER CA C 65 60.700 60.700 60.192 0.508 17818 8685 1 17 . 1 1 65 65 SER CB C 65 62.700 62.700 63.135 -0.435 17818 8686 1 17 . 1 1 65 65 SER H H 65 7.800 7.800 8.210 -0.410 17818 8687 1 17 . 1 1 66 66 ARG N N 66 118.000 118.000 119.471 -1.471 17818 8688 1 17 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.265 0.155 17818 8689 1 17 . 1 1 66 66 ARG CA C 66 57.100 57.100 55.707 1.393 17818 8690 1 17 . 1 1 66 66 ARG CB C 66 31.500 31.500 30.446 1.054 17818 8691 1 17 . 1 1 66 66 ARG H H 66 7.110 7.110 7.485 -0.375 17818 8692 1 17 . 1 1 67 67 GLY N N 67 106.700 106.700 108.157 -1.457 17818 8693 1 17 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.531 0.269 17818 8694 1 17 . 1 1 67 67 GLY H H 67 7.800 7.800 7.937 -0.137 17818 8695 1 17 . 1 1 68 68 LYS N N 68 117.600 117.600 121.460 -3.860 17818 8696 1 17 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.558 0.452 17818 8697 1 17 . 1 1 68 68 LYS CA C 68 53.100 53.100 54.051 -0.952 17818 8698 1 17 . 1 1 68 68 LYS CB C 68 34.900 34.900 33.316 1.584 17818 8699 1 17 . 1 1 68 68 LYS H H 68 7.440 7.440 7.654 -0.214 17818 8700 1 17 . 1 1 69 69 PRO HA H 69 4.060 4.060 5.079 -1.019 17818 8701 1 17 . 1 1 69 69 PRO CA C 69 62.700 62.700 62.181 0.519 17818 8702 1 17 . 1 1 69 69 PRO CB C 69 32.300 32.300 32.733 -0.433 17818 8703 1 17 . 1 1 70 70 PHE N N 70 123.200 123.200 120.510 2.690 17818 8704 1 17 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.894 0.146 17818 8705 1 17 . 1 1 70 70 PHE CA C 70 57.100 57.100 57.626 -0.526 17818 8706 1 17 . 1 1 70 70 PHE CB C 70 42.900 42.900 42.693 0.207 17818 8707 1 17 . 1 1 70 70 PHE H H 70 9.180 9.180 9.035 0.145 17818 8708 1 17 . 1 1 71 71 GLN N N 71 126.000 126.000 127.701 -1.701 17818 8709 1 17 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.495 0.255 17818 8710 1 17 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.743 -1.443 17818 8711 1 17 . 1 1 71 71 GLN CB C 71 32.900 32.900 30.681 2.219 17818 8712 1 17 . 1 1 71 71 GLN H H 71 8.020 8.020 8.200 -0.180 17818 8713 1 17 . 1 1 72 72 PHE N N 72 116.800 116.800 119.763 -2.963 17818 8714 1 17 . 1 1 72 72 PHE HA H 72 4.700 4.700 4.877 -0.177 17818 8715 1 17 . 1 1 72 72 PHE CA C 72 55.500 55.500 55.788 -0.288 17818 8716 1 17 . 1 1 72 72 PHE CB C 72 40.900 40.900 40.802 0.098 17818 8717 1 17 . 1 1 72 72 PHE H H 72 8.110 8.110 8.812 -0.702 17818 8718 1 17 . 1 1 73 73 THR N N 73 118.800 118.800 118.184 0.616 17818 8719 1 17 . 1 1 73 73 THR HA H 73 3.960 3.960 4.356 -0.396 17818 8720 1 17 . 1 1 73 73 THR CA C 73 62.600 62.600 62.828 -0.228 17818 8721 1 17 . 1 1 73 73 THR CB C 73 67.500 67.500 68.748 -1.248 17818 8722 1 17 . 1 1 73 73 THR H H 73 9.080 9.080 8.744 0.336 17818 8723 1 17 . 1 1 74 74 LEU N N 74 132.500 132.500 128.779 3.721 17818 8724 1 17 . 1 1 74 74 LEU HA H 74 4.140 4.140 3.822 0.318 17818 8725 1 17 . 1 1 74 74 LEU CA C 74 56.800 56.800 55.808 0.992 17818 8726 1 17 . 1 1 74 74 LEU CB C 74 41.800 41.800 42.483 -0.684 17818 8727 1 17 . 1 1 74 74 LEU H H 74 8.220 8.220 8.309 -0.089 17818 8728 1 17 . 1 1 75 75 GLY N N 75 118.100 118.100 112.040 6.060 17818 8729 1 17 . 1 1 75 75 GLY CA C 75 46.200 46.200 45.026 1.174 17818 8730 1 17 . 1 1 75 75 GLY H H 75 9.850 9.850 9.069 0.781 17818 8731 1 17 . 1 1 76 76 ALA N N 76 120.600 120.600 122.060 -1.460 17818 8732 1 17 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.837 -0.337 17818 8733 1 17 . 1 1 76 76 ALA CA C 76 51.900 51.900 50.949 0.951 17818 8734 1 17 . 1 1 76 76 ALA CB C 76 20.200 20.200 21.279 -1.079 17818 8735 1 17 . 1 1 76 76 ALA H H 76 7.550 7.550 7.695 -0.145 17818 8736 1 17 . 1 1 77 77 GLY N N 77 110.500 110.500 105.955 4.545 17818 8737 1 17 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.399 1.001 17818 8738 1 17 . 1 1 77 77 GLY H H 77 8.790 8.790 8.622 0.168 17818 8739 1 17 . 1 1 78 78 GLU N N 78 119.400 119.400 119.303 0.097 17818 8740 1 17 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.323 -0.173 17818 8741 1 17 . 1 1 78 78 GLU CA C 78 57.200 57.200 57.706 -0.506 17818 8742 1 17 . 1 1 78 78 GLU CB C 78 30.900 30.900 29.950 0.950 17818 8743 1 17 . 1 1 78 78 GLU H H 78 9.240 9.240 8.598 0.642 17818 8744 1 17 . 1 1 79 79 VAL N N 79 108.600 108.600 113.363 -4.763 17818 8745 1 17 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.319 -0.099 17818 8746 1 17 . 1 1 79 79 VAL CA C 79 57.300 57.300 59.801 -2.501 17818 8747 1 17 . 1 1 79 79 VAL CB C 79 35.400 35.400 34.257 1.143 17818 8748 1 17 . 1 1 79 79 VAL H H 79 6.760 6.760 7.389 -0.629 17818 8749 1 17 . 1 1 80 80 ILE N N 80 111.800 111.800 115.509 -3.709 17818 8750 1 17 . 1 1 80 80 ILE HA H 80 3.800 3.800 3.915 -0.115 17818 8751 1 17 . 1 1 80 80 ILE CA C 80 61.800 61.800 61.550 0.250 17818 8752 1 17 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.009 -0.009 17818 8753 1 17 . 1 1 80 80 ILE H H 80 7.300 7.300 7.769 -0.469 17818 8754 1 17 . 1 1 81 81 LYS N N 81 124.700 124.700 126.361 -1.661 17818 8755 1 17 . 1 1 81 81 LYS HA H 81 4.160 4.160 4.021 0.139 17818 8756 1 17 . 1 1 81 81 LYS CA C 81 59.700 59.700 58.474 1.226 17818 8757 1 17 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.367 1.433 17818 8758 1 17 . 1 1 81 81 LYS H H 81 8.880 8.880 8.698 0.182 17818 8759 1 17 . 1 1 82 82 GLY N N 82 101.700 101.700 108.304 -6.604 17818 8760 1 17 . 1 1 82 82 GLY CA C 82 47.300 47.300 47.105 0.195 17818 8761 1 17 . 1 1 82 82 GLY H H 82 9.580 9.580 7.862 1.718 17818 8762 1 17 . 1 1 83 83 TRP N N 83 119.300 119.300 121.547 -2.247 17818 8763 1 17 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.446 -0.436 17818 8764 1 17 . 1 1 83 83 TRP CA C 83 59.300 59.300 56.778 2.522 17818 8765 1 17 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.602 0.499 17818 8766 1 17 . 1 1 83 83 TRP H H 83 7.450 7.450 7.442 0.008 17818 8767 1 17 . 1 1 84 84 ASP N N 84 120.900 120.900 119.406 1.494 17818 8768 1 17 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.453 -0.453 17818 8769 1 17 . 1 1 84 84 ASP CA C 84 58.200 58.200 58.086 0.114 17818 8770 1 17 . 1 1 84 84 ASP CB C 84 41.000 41.000 40.968 0.032 17818 8771 1 17 . 1 1 84 84 ASP H H 84 7.120 7.120 8.335 -1.215 17818 8772 1 17 . 1 1 85 85 GLN N N 85 114.500 114.500 118.572 -4.072 17818 8773 1 17 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.065 -0.065 17818 8774 1 17 . 1 1 85 85 GLN CA C 85 58.200 58.200 58.443 -0.243 17818 8775 1 17 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.853 0.047 17818 8776 1 17 . 1 1 85 85 GLN H H 85 8.360 8.360 8.088 0.272 17818 8777 1 17 . 1 1 86 86 GLY N N 86 106.300 106.300 108.230 -1.930 17818 8778 1 17 . 1 1 86 86 GLY CA C 86 47.700 47.700 46.947 0.754 17818 8779 1 17 . 1 1 86 86 GLY H H 86 7.960 7.960 7.910 0.050 17818 8780 1 17 . 1 1 87 87 VAL N N 87 125.300 125.300 120.933 4.367 17818 8781 1 17 . 1 1 87 87 VAL HA H 87 3.630 3.630 3.886 -0.256 17818 8782 1 17 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.576 1.824 17818 8783 1 17 . 1 1 87 87 VAL CB C 87 30.300 30.300 32.182 -1.883 17818 8784 1 17 . 1 1 87 87 VAL H H 87 9.090 9.090 8.046 1.044 17818 8785 1 17 . 1 1 88 88 ALA N N 88 116.500 116.500 122.388 -5.888 17818 8786 1 17 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.127 -0.137 17818 8787 1 17 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.811 -0.511 17818 8788 1 17 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.486 0.114 17818 8789 1 17 . 1 1 88 88 ALA H H 88 6.750 6.750 7.933 -1.183 17818 8790 1 17 . 1 1 89 89 THR N N 89 105.500 105.500 112.760 -7.260 17818 8791 1 17 . 1 1 89 89 THR HA H 89 4.520 4.520 4.294 0.226 17818 8792 1 17 . 1 1 89 89 THR CA C 89 62.300 62.300 62.993 -0.693 17818 8793 1 17 . 1 1 89 89 THR CB C 89 71.100 71.100 69.348 1.752 17818 8794 1 17 . 1 1 89 89 THR H H 89 7.400 7.400 7.937 -0.537 17818 8795 1 17 . 1 1 90 90 MET N N 90 122.400 122.400 118.015 4.385 17818 8796 1 17 . 1 1 90 90 MET CA C 90 56.200 56.200 54.821 1.379 17818 8797 1 17 . 1 1 90 90 MET CB C 90 36.800 36.800 35.507 1.293 17818 8798 1 17 . 1 1 90 90 MET H H 90 7.550 7.550 7.458 0.092 17818 8799 1 17 . 1 1 91 91 THR N N 91 105.200 105.200 109.066 -3.866 17818 8800 1 17 . 1 1 91 91 THR HA H 91 5.120 5.120 4.825 0.295 17818 8801 1 17 . 1 1 91 91 THR CA C 91 59.800 59.800 59.769 0.031 17818 8802 1 17 . 1 1 91 91 THR CB C 91 71.900 71.900 72.362 -0.462 17818 8803 1 17 . 1 1 91 91 THR H H 91 7.350 7.350 8.118 -0.768 17818 8804 1 17 . 1 1 92 92 LEU N N 92 121.200 121.200 122.037 -0.837 17818 8805 1 17 . 1 1 92 92 LEU HA H 92 3.600 3.600 4.102 -0.502 17818 8806 1 17 . 1 1 92 92 LEU CA C 92 58.100 58.100 55.722 2.378 17818 8807 1 17 . 1 1 92 92 LEU CB C 92 43.400 43.400 42.881 0.519 17818 8808 1 17 . 1 1 92 92 LEU H H 92 8.180 8.180 8.194 -0.014 17818 8809 1 17 . 1 1 93 93 GLY N N 93 115.800 115.800 111.896 3.904 17818 8810 1 17 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.389 -0.689 17818 8811 1 17 . 1 1 93 93 GLY H H 93 8.490 8.490 8.992 -0.502 17818 8812 1 17 . 1 1 94 94 GLU N N 94 123.700 123.700 120.895 2.805 17818 8813 1 17 . 1 1 94 94 GLU HA H 94 4.290 4.290 5.055 -0.765 17818 8814 1 17 . 1 1 94 94 GLU CA C 94 56.100 56.100 54.729 1.371 17818 8815 1 17 . 1 1 94 94 GLU CB C 94 33.500 33.500 33.125 0.375 17818 8816 1 17 . 1 1 94 94 GLU H H 94 8.650 8.650 7.661 0.989 17818 8817 1 17 . 1 1 95 95 LYS N N 95 124.200 124.200 126.982 -2.782 17818 8818 1 17 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.275 0.285 17818 8819 1 17 . 1 1 95 95 LYS CA C 95 54.600 54.600 55.117 -0.517 17818 8820 1 17 . 1 1 95 95 LYS CB C 95 35.300 35.300 36.467 -1.167 17818 8821 1 17 . 1 1 95 95 LYS H H 95 8.950 8.950 8.726 0.224 17818 8822 1 17 . 1 1 96 96 ALA N N 96 129.100 129.100 128.687 0.413 17818 8823 1 17 . 1 1 96 96 ALA HA H 96 4.990 4.990 5.395 -0.405 17818 8824 1 17 . 1 1 96 96 ALA CA C 96 50.500 50.500 50.203 0.297 17818 8825 1 17 . 1 1 96 96 ALA CB C 96 23.900 23.900 23.258 0.642 17818 8826 1 17 . 1 1 96 96 ALA H H 96 9.530 9.530 9.234 0.296 17818 8827 1 17 . 1 1 97 97 LEU N N 97 122.200 122.200 123.513 -1.313 17818 8828 1 17 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.723 0.457 17818 8829 1 17 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.100 -1.100 17818 8830 1 17 . 1 1 97 97 LEU CB C 97 45.800 45.800 42.997 2.803 17818 8831 1 17 . 1 1 97 97 LEU H H 97 9.100 9.100 8.707 0.393 17818 8832 1 17 . 1 1 98 98 PHE N N 98 125.800 125.800 129.651 -3.851 17818 8833 1 17 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.804 -0.104 17818 8834 1 17 . 1 1 98 98 PHE CA C 98 56.500 56.500 55.525 0.975 17818 8835 1 17 . 1 1 98 98 PHE CB C 98 42.300 42.300 43.660 -1.359 17818 8836 1 17 . 1 1 98 98 PHE H H 98 9.940 9.940 9.511 0.429 17818 8837 1 17 . 1 1 99 99 THR N N 99 121.600 121.600 124.263 -2.663 17818 8838 1 17 . 1 1 99 99 THR CA C 99 63.500 63.500 62.792 0.708 17818 8839 1 17 . 1 1 99 99 THR CB C 99 68.600 68.600 68.399 0.201 17818 8840 1 17 . 1 1 99 99 THR H H 99 9.100 9.100 8.300 0.800 17818 8841 1 17 . 1 1 100 100 ILE N N 100 127.400 127.400 129.624 -2.224 17818 8842 1 17 . 1 1 100 100 ILE CA C 100 58.700 58.700 56.957 1.743 17818 8843 1 17 . 1 1 100 100 ILE CB C 100 39.400 39.400 38.200 1.200 17818 8844 1 17 . 1 1 100 100 ILE H H 100 9.880 9.880 9.146 0.734 17818 8845 1 17 . 1 1 101 101 PRO CA C 101 62.200 62.200 61.968 0.232 17818 8846 1 17 . 1 1 101 101 PRO CB C 101 32.500 32.500 32.384 0.116 17818 8847 1 17 . 1 1 102 102 TYR N N 102 118.100 118.100 118.786 -0.686 17818 8848 1 17 . 1 1 102 102 TYR HA H 102 4.470 4.470 4.144 0.326 17818 8849 1 17 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.377 0.723 17818 8850 1 17 . 1 1 102 102 TYR CB C 102 37.000 37.000 37.225 -0.225 17818 8851 1 17 . 1 1 102 102 TYR H H 102 8.450 8.450 8.469 -0.019 17818 8852 1 17 . 1 1 103 103 GLN N N 103 123.800 123.800 118.149 5.651 17818 8853 1 17 . 1 1 103 103 GLN HA H 103 4.050 4.050 4.034 0.016 17818 8854 1 17 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.671 1.829 17818 8855 1 17 . 1 1 103 103 GLN CB C 103 27.300 27.300 28.240 -0.940 17818 8856 1 17 . 1 1 103 103 GLN H H 103 9.080 9.080 7.911 1.169 17818 8857 1 17 . 1 1 104 104 LEU N N 104 116.800 116.800 117.222 -0.422 17818 8858 1 17 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.597 -0.077 17818 8859 1 17 . 1 1 104 104 LEU CA C 104 53.100 53.100 53.892 -0.792 17818 8860 1 17 . 1 1 104 104 LEU CB C 104 43.400 43.400 42.120 1.280 17818 8861 1 17 . 1 1 104 104 LEU H H 104 7.790 7.790 7.652 0.138 17818 8862 1 17 . 1 1 105 105 ALA N N 105 125.400 125.400 120.452 4.948 17818 8863 1 17 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.387 0.083 17818 8864 1 17 . 1 1 105 105 ALA CA C 105 51.000 51.000 51.670 -0.670 17818 8865 1 17 . 1 1 105 105 ALA CB C 105 18.900 18.900 20.206 -1.306 17818 8866 1 17 . 1 1 105 105 ALA H H 105 7.780 7.780 7.315 0.465 17818 8867 1 17 . 1 1 106 106 TYR N N 106 122.000 122.000 117.264 4.736 17818 8868 1 17 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.343 0.267 17818 8869 1 17 . 1 1 106 106 TYR CA C 106 59.300 59.300 58.764 0.536 17818 8870 1 17 . 1 1 106 106 TYR CB C 106 37.400 37.400 37.954 -0.554 17818 8871 1 17 . 1 1 106 106 TYR H H 106 9.430 9.430 8.466 0.964 17818 8872 1 17 . 1 1 107 107 GLY N N 107 105.500 105.500 108.030 -2.530 17818 8873 1 17 . 1 1 107 107 GLY CA C 107 46.500 46.500 46.035 0.465 17818 8874 1 17 . 1 1 107 107 GLY H H 107 8.490 8.490 8.039 0.451 17818 8875 1 17 . 1 1 108 108 GLU HA H 108 3.510 3.510 3.968 -0.458 17818 8876 1 17 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.448 0.052 17818 8877 1 17 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.790 -0.190 17818 8878 1 17 . 1 1 109 109 ARG N N 109 115.900 115.900 116.691 -0.791 17818 8879 1 17 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.265 -0.085 17818 8880 1 17 . 1 1 109 109 ARG CA C 109 57.400 57.400 55.838 1.562 17818 8881 1 17 . 1 1 109 109 ARG CB C 109 30.700 30.700 30.396 0.304 17818 8882 1 17 . 1 1 109 109 ARG H H 109 8.840 8.840 7.803 1.037 17818 8883 1 17 . 1 1 110 110 GLY N N 110 130.700 130.700 109.603 21.097 17818 8884 1 17 . 1 1 110 110 GLY CA C 110 44.800 44.800 47.005 -2.205 17818 8885 1 17 . 1 1 110 110 GLY H H 110 7.140 7.140 8.248 -1.108 17818 8886 1 17 . 1 1 111 111 TYR N N 111 119.700 119.700 117.244 2.456 17818 8887 1 17 . 1 1 111 111 TYR CA C 111 54.500 54.500 59.381 -4.881 17818 8888 1 17 . 1 1 111 111 TYR CB C 111 38.600 38.600 36.307 2.293 17818 8889 1 17 . 1 1 111 111 TYR H H 111 8.570 8.570 7.908 0.662 17818 8890 1 17 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.461 -0.661 17818 8891 1 17 . 1 1 113 113 PRO CB C 113 34.300 34.300 32.004 2.296 17818 8892 1 17 . 1 1 114 114 VAL N N 114 122.900 122.900 117.490 5.410 17818 8893 1 17 . 1 1 114 114 VAL HA H 114 3.850 3.850 4.028 -0.178 17818 8894 1 17 . 1 1 114 114 VAL CA C 114 65.600 65.600 63.241 2.359 17818 8895 1 17 . 1 1 114 114 VAL CB C 114 33.000 33.000 32.037 0.963 17818 8896 1 17 . 1 1 114 114 VAL H H 114 7.870 7.870 7.441 0.429 17818 8897 1 17 . 1 1 115 115 ILE N N 115 118.100 118.100 121.545 -3.445 17818 8898 1 17 . 1 1 115 115 ILE CA C 115 56.300 56.300 56.684 -0.384 17818 8899 1 17 . 1 1 115 115 ILE CB C 115 37.700 37.700 37.460 0.240 17818 8900 1 17 . 1 1 115 115 ILE H H 115 7.550 7.550 7.703 -0.153 17818 8901 1 17 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.203 -0.583 17818 8902 1 17 . 1 1 117 117 PRO CA C 117 63.400 63.400 63.084 0.316 17818 8903 1 17 . 1 1 117 117 PRO CB C 117 32.800 32.800 31.871 0.929 17818 8904 1 17 . 1 1 118 118 LYS N N 118 115.100 115.100 117.204 -2.104 17818 8905 1 17 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.563 -0.983 17818 8906 1 17 . 1 1 118 118 LYS CA C 118 57.900 57.900 56.748 1.152 17818 8907 1 17 . 1 1 118 118 LYS CB C 118 29.700 29.700 29.837 -0.137 17818 8908 1 17 . 1 1 118 118 LYS H H 118 7.330 7.330 8.356 -1.026 17818 8909 1 17 . 1 1 119 119 ALA N N 119 121.900 121.900 120.286 1.614 17818 8910 1 17 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.627 -0.177 17818 8911 1 17 . 1 1 119 119 ALA CA C 119 52.700 52.700 51.084 1.616 17818 8912 1 17 . 1 1 119 119 ALA CB C 119 20.100 20.100 21.456 -1.356 17818 8913 1 17 . 1 1 119 119 ALA H H 119 7.900 7.900 7.822 0.078 17818 8914 1 17 . 1 1 120 120 THR N N 120 121.800 121.800 117.812 3.988 17818 8915 1 17 . 1 1 120 120 THR CA C 120 63.100 63.100 62.519 0.581 17818 8916 1 17 . 1 1 120 120 THR CB C 120 69.800 69.800 69.811 -0.011 17818 8917 1 17 . 1 1 120 120 THR H H 120 8.170 8.170 8.337 -0.167 17818 8918 1 17 . 1 1 121 121 LEU N N 121 124.200 124.200 126.488 -2.288 17818 8919 1 17 . 1 1 121 121 LEU CA C 121 53.100 53.100 52.231 0.869 17818 8920 1 17 . 1 1 121 121 LEU CB C 121 46.300 46.300 44.882 1.418 17818 8921 1 17 . 1 1 121 121 LEU H H 121 8.640 8.640 9.034 -0.394 17818 8922 1 17 . 1 1 122 122 VAL N N 122 122.200 122.200 119.149 3.051 17818 8923 1 17 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.435 0.855 17818 8924 1 17 . 1 1 122 122 VAL CA C 122 60.700 60.700 61.568 -0.868 17818 8925 1 17 . 1 1 122 122 VAL CB C 122 33.300 33.300 32.013 1.287 17818 8926 1 17 . 1 1 122 122 VAL H H 122 8.860 8.860 8.253 0.607 17818 8927 1 17 . 1 1 123 123 PHE N N 123 122.900 122.900 126.526 -3.626 17818 8928 1 17 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.244 0.156 17818 8929 1 17 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.410 -1.010 17818 8930 1 17 . 1 1 123 123 PHE CB C 123 44.000 44.000 42.948 1.052 17818 8931 1 17 . 1 1 123 123 PHE H H 123 9.620 9.620 9.490 0.130 17818 8932 1 17 . 1 1 124 124 GLU N N 124 125.500 125.500 124.900 0.600 17818 8933 1 17 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.865 1.035 17818 8934 1 17 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.067 -0.467 17818 8935 1 17 . 1 1 124 124 GLU CB C 124 31.800 31.800 30.122 1.678 17818 8936 1 17 . 1 1 124 124 GLU H H 124 9.180 9.180 8.797 0.383 17818 8937 1 17 . 1 1 125 125 VAL N N 125 128.100 128.100 119.719 8.381 17818 8938 1 17 . 1 1 125 125 VAL CA C 125 61.300 61.300 59.881 1.419 17818 8939 1 17 . 1 1 125 125 VAL CB C 125 35.800 35.800 34.297 1.503 17818 8940 1 17 . 1 1 125 125 VAL H H 125 9.600 9.600 8.912 0.688 17818 8941 1 17 . 1 1 126 126 GLU N N 126 128.500 128.500 125.131 3.369 17818 8942 1 17 . 1 1 126 126 GLU HA H 126 5.630 5.630 5.247 0.383 17818 8943 1 17 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.758 -1.258 17818 8944 1 17 . 1 1 126 126 GLU CB C 126 34.000 34.000 34.578 -0.578 17818 8945 1 17 . 1 1 126 126 GLU H H 126 9.420 9.420 8.995 0.425 17818 8946 1 17 . 1 1 127 127 LEU N N 127 127.900 127.900 127.885 0.015 17818 8947 1 17 . 1 1 127 127 LEU CA C 127 55.100 55.100 53.755 1.345 17818 8948 1 17 . 1 1 127 127 LEU CB C 127 41.400 41.400 42.949 -1.549 17818 8949 1 17 . 1 1 127 127 LEU H H 127 8.720 8.720 8.974 -0.254 17818 8950 1 17 . 1 1 128 128 LEU N N 128 128.700 128.700 128.210 0.490 17818 8951 1 17 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.594 -0.194 17818 8952 1 17 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.386 0.514 17818 8953 1 17 . 1 1 128 128 LEU CB C 128 43.700 43.700 42.253 1.447 17818 8954 1 17 . 1 1 128 128 LEU H H 128 8.690 8.690 8.843 -0.153 17818 8955 1 17 . 1 1 129 129 ALA N N 129 118.600 118.600 119.345 -0.745 17818 8956 1 17 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.607 -0.147 17818 8957 1 17 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.318 1.482 17818 8958 1 17 . 1 1 129 129 ALA CB C 129 21.100 21.100 21.894 -0.794 17818 8959 1 17 . 1 1 129 129 ALA H H 129 7.810 7.810 8.043 -0.233 17818 8960 1 18 . 1 1 8 8 HIS CA C 8 54.700 54.700 55.521 -0.821 17818 8961 1 18 . 1 1 8 8 HIS CB C 8 31.200 31.200 31.014 0.186 17818 8962 1 18 . 1 1 9 9 MET N N 9 120.000 120.000 122.129 -2.129 17818 8963 1 18 . 1 1 9 9 MET HA H 9 4.280 4.280 4.851 -0.571 17818 8964 1 18 . 1 1 9 9 MET CA C 9 55.500 55.500 55.256 0.244 17818 8965 1 18 . 1 1 9 9 MET CB C 9 32.500 32.500 34.067 -1.567 17818 8966 1 18 . 1 1 9 9 MET H H 9 8.110 8.110 8.802 -0.692 17818 8967 1 18 . 1 1 10 10 GLY N N 10 109.800 109.800 109.692 0.108 17818 8968 1 18 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.806 0.494 17818 8969 1 18 . 1 1 10 10 GLY H H 10 8.440 8.440 8.728 -0.288 17818 8970 1 18 . 1 1 11 11 THR N N 11 113.600 113.600 116.643 -3.043 17818 8971 1 18 . 1 1 11 11 THR HA H 11 4.330 4.330 4.559 -0.229 17818 8972 1 18 . 1 1 11 11 THR CA C 11 62.000 62.000 62.130 -0.130 17818 8973 1 18 . 1 1 11 11 THR CB C 11 69.900 69.900 70.661 -0.761 17818 8974 1 18 . 1 1 11 11 THR H H 11 8.070 8.070 8.231 -0.161 17818 8975 1 18 . 1 1 12 12 LEU N N 12 124.200 124.200 125.334 -1.134 17818 8976 1 18 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.709 -0.389 17818 8977 1 18 . 1 1 12 12 LEU CA C 12 55.500 55.500 54.250 1.250 17818 8978 1 18 . 1 1 12 12 LEU CB C 12 42.100 42.100 43.560 -1.460 17818 8979 1 18 . 1 1 12 12 LEU H H 12 8.380 8.380 8.321 0.059 17818 8980 1 18 . 1 1 13 13 GLU N N 13 121.600 121.600 122.803 -1.203 17818 8981 1 18 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.543 -0.343 17818 8982 1 18 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.775 1.125 17818 8983 1 18 . 1 1 13 13 GLU CB C 13 30.000 30.000 30.565 -0.565 17818 8984 1 18 . 1 1 13 13 GLU H H 13 8.430 8.430 8.502 -0.072 17818 8985 1 18 . 1 1 14 14 ALA N N 14 124.400 124.400 124.616 -0.216 17818 8986 1 18 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.504 -0.234 17818 8987 1 18 . 1 1 14 14 ALA CA C 14 52.700 52.700 51.415 1.285 17818 8988 1 18 . 1 1 14 14 ALA CB C 14 19.100 19.100 20.422 -1.322 17818 8989 1 18 . 1 1 14 14 ALA H H 14 8.290 8.290 8.169 0.121 17818 8990 1 18 . 1 1 15 15 GLN N N 15 119.100 119.100 121.252 -2.152 17818 8991 1 18 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.332 0.058 17818 8992 1 18 . 1 1 15 15 GLN CA C 15 56.000 56.000 55.629 0.371 17818 8993 1 18 . 1 1 15 15 GLN CB C 15 29.400 29.400 28.157 1.243 17818 8994 1 18 . 1 1 15 15 GLN H H 15 8.370 8.370 8.588 -0.218 17818 8995 1 18 . 1 1 16 16 THR N N 16 114.900 114.900 115.677 -0.777 17818 8996 1 18 . 1 1 16 16 THR CA C 16 62.100 62.100 61.214 0.886 17818 8997 1 18 . 1 1 16 16 THR CB C 16 69.800 69.800 69.293 0.507 17818 8998 1 18 . 1 1 16 16 THR H H 16 8.200 8.200 8.378 -0.178 17818 8999 1 18 . 1 1 17 17 GLN N N 17 122.200 122.200 123.280 -1.080 17818 9000 1 18 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.299 0.131 17818 9001 1 18 . 1 1 17 17 GLN CA C 17 55.600 55.600 56.017 -0.416 17818 9002 1 18 . 1 1 17 17 GLN CB C 17 29.700 29.700 27.509 2.191 17818 9003 1 18 . 1 1 17 17 GLN H H 17 8.420 8.420 8.405 0.015 17818 9004 1 18 . 1 1 18 18 GLY N N 18 110.100 110.100 111.012 -0.912 17818 9005 1 18 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.886 -0.286 17818 9006 1 18 . 1 1 18 18 GLY H H 18 8.360 8.360 8.042 0.318 17818 9007 1 18 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.401 0.039 17818 9008 1 18 . 1 1 19 19 PRO CA C 19 63.600 63.600 62.733 0.868 17818 9009 1 18 . 1 1 19 19 PRO CB C 19 32.000 32.000 30.671 1.329 17818 9010 1 18 . 1 1 20 20 GLY N N 20 109.400 109.400 113.977 -4.577 17818 9011 1 18 . 1 1 20 20 GLY CA C 20 45.300 45.300 44.935 0.365 17818 9012 1 18 . 1 1 20 20 GLY H H 20 8.630 8.630 8.114 0.516 17818 9013 1 18 . 1 1 21 21 SER N N 21 115.400 115.400 115.604 -0.204 17818 9014 1 18 . 1 1 21 21 SER CA C 21 63.800 63.800 60.253 3.547 17818 9015 1 18 . 1 1 21 21 SER CB C 21 69.800 69.800 63.594 6.206 17818 9016 1 18 . 1 1 21 21 SER H H 21 4.180 4.180 8.029 -3.849 17818 9017 1 18 . 1 1 22 22 MET N N 22 121.900 121.900 120.843 1.057 17818 9018 1 18 . 1 1 22 22 MET CA C 22 55.500 55.500 54.931 0.570 17818 9019 1 18 . 1 1 22 22 MET CB C 22 32.800 32.800 33.333 -0.533 17818 9020 1 18 . 1 1 22 22 MET H H 22 8.440 8.440 7.762 0.678 17818 9021 1 18 . 1 1 23 23 SER N N 23 116.600 116.600 118.118 -1.518 17818 9022 1 18 . 1 1 23 23 SER HA H 23 4.400 4.400 4.177 0.223 17818 9023 1 18 . 1 1 23 23 SER CA C 23 58.300 58.300 60.657 -2.357 17818 9024 1 18 . 1 1 23 23 SER CB C 23 63.700 63.700 63.608 0.092 17818 9025 1 18 . 1 1 23 23 SER H H 23 8.290 8.290 8.761 -0.471 17818 9026 1 18 . 1 1 24 24 ALA N N 24 125.700 125.700 121.346 4.354 17818 9027 1 18 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.465 -0.175 17818 9028 1 18 . 1 1 24 24 ALA CA C 24 52.100 52.100 51.426 0.674 17818 9029 1 18 . 1 1 24 24 ALA CB C 24 19.300 19.300 19.362 -0.062 17818 9030 1 18 . 1 1 24 24 ALA H H 24 8.200 8.200 7.717 0.483 17818 9031 1 18 . 1 1 25 25 GLN N N 25 118.300 118.300 122.488 -4.188 17818 9032 1 18 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.551 -0.040 17818 9033 1 18 . 1 1 25 25 GLN CA C 25 54.200 54.200 54.823 -0.623 17818 9034 1 18 . 1 1 25 25 GLN CB C 25 31.300 31.300 31.058 0.242 17818 9035 1 18 . 1 1 25 25 GLN H H 25 8.280 8.280 8.479 -0.199 17818 9036 1 18 . 1 1 26 26 LEU N N 26 122.100 122.100 124.411 -2.311 17818 9037 1 18 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.470 -0.010 17818 9038 1 18 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.767 0.533 17818 9039 1 18 . 1 1 26 26 LEU CB C 26 43.500 43.500 43.525 -0.025 17818 9040 1 18 . 1 1 26 26 LEU H H 26 8.480 8.480 8.364 0.116 17818 9041 1 18 . 1 1 27 27 GLU N N 27 125.300 125.300 125.324 -0.024 17818 9042 1 18 . 1 1 27 27 GLU CA C 27 55.300 55.300 55.269 0.031 17818 9043 1 18 . 1 1 27 27 GLU CB C 27 32.400 32.400 33.249 -0.849 17818 9044 1 18 . 1 1 27 27 GLU H H 27 8.240 8.240 8.260 -0.020 17818 9045 1 18 . 1 1 28 28 LYS N N 28 125.000 125.000 122.236 2.764 17818 9046 1 18 . 1 1 28 28 LYS HA H 28 4.610 4.610 5.416 -0.806 17818 9047 1 18 . 1 1 28 28 LYS CA C 28 54.500 54.500 55.059 -0.559 17818 9048 1 18 . 1 1 28 28 LYS CB C 28 35.700 35.700 34.635 1.065 17818 9049 1 18 . 1 1 28 28 LYS H H 28 8.810 8.810 8.564 0.246 17818 9050 1 18 . 1 1 29 29 LYS N N 29 128.100 128.100 126.351 1.749 17818 9051 1 18 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.650 0.380 17818 9052 1 18 . 1 1 29 29 LYS CA C 29 55.000 55.000 54.782 0.218 17818 9053 1 18 . 1 1 29 29 LYS CB C 29 36.200 36.200 35.204 0.996 17818 9054 1 18 . 1 1 29 29 LYS H H 29 8.850 8.850 8.810 0.040 17818 9055 1 18 . 1 1 30 30 VAL N N 30 127.200 127.200 126.107 1.093 17818 9056 1 18 . 1 1 30 30 VAL HA H 30 3.660 3.660 3.947 -0.287 17818 9057 1 18 . 1 1 30 30 VAL CA C 30 64.800 64.800 63.586 1.214 17818 9058 1 18 . 1 1 30 30 VAL CB C 30 31.600 31.600 32.633 -1.033 17818 9059 1 18 . 1 1 30 30 VAL H H 30 9.170 9.170 8.834 0.336 17818 9060 1 18 . 1 1 31 31 LEU N N 31 129.800 129.800 128.932 0.868 17818 9061 1 18 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.688 -0.248 17818 9062 1 18 . 1 1 31 31 LEU CA C 31 56.000 56.000 55.188 0.812 17818 9063 1 18 . 1 1 31 31 LEU CB C 31 41.800 41.800 43.898 -2.099 17818 9064 1 18 . 1 1 31 31 LEU H H 31 9.020 9.020 8.874 0.146 17818 9065 1 18 . 1 1 32 32 THR N N 32 115.700 115.700 115.700 0.000 17818 9066 1 18 . 1 1 32 32 THR CA C 32 59.300 59.300 60.557 -1.257 17818 9067 1 18 . 1 1 32 32 THR CB C 32 72.500 72.500 70.624 1.877 17818 9068 1 18 . 1 1 32 32 THR H H 32 8.220 8.220 8.243 -0.023 17818 9069 1 18 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.521 -0.231 17818 9070 1 18 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.315 0.685 17818 9071 1 18 . 1 1 33 33 PRO CB C 33 32.400 32.400 32.302 0.098 17818 9072 1 18 . 1 1 34 34 GLY N N 34 109.400 109.400 110.153 -0.753 17818 9073 1 18 . 1 1 34 34 GLY CA C 34 44.200 44.200 43.424 0.776 17818 9074 1 18 . 1 1 34 34 GLY H H 34 9.010 9.010 8.327 0.683 17818 9075 1 18 . 1 1 35 35 ASP N N 35 119.400 119.400 119.360 0.040 17818 9076 1 18 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.354 -0.024 17818 9077 1 18 . 1 1 35 35 ASP CA C 35 54.700 54.700 56.263 -1.563 17818 9078 1 18 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.224 -1.824 17818 9079 1 18 . 1 1 35 35 ASP H H 35 8.370 8.370 8.165 0.205 17818 9080 1 18 . 1 1 36 36 GLY N N 36 107.900 107.900 106.783 1.117 17818 9081 1 18 . 1 1 36 36 GLY CA C 36 46.000 46.000 45.935 0.065 17818 9082 1 18 . 1 1 36 36 GLY H H 36 8.750 8.750 7.955 0.795 17818 9083 1 18 . 1 1 37 37 VAL N N 37 116.200 116.200 117.330 -1.130 17818 9084 1 18 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.153 0.347 17818 9085 1 18 . 1 1 37 37 VAL CA C 37 62.500 62.500 63.445 -0.945 17818 9086 1 18 . 1 1 37 37 VAL CB C 37 35.900 35.900 31.751 4.149 17818 9087 1 18 . 1 1 37 37 VAL H H 37 8.590 8.590 7.660 0.930 17818 9088 1 18 . 1 1 38 38 THR N N 38 126.400 126.400 112.703 13.697 17818 9089 1 18 . 1 1 38 38 THR HA H 38 4.210 4.210 4.216 -0.006 17818 9090 1 18 . 1 1 38 38 THR CA C 38 63.300 63.300 62.852 0.448 17818 9091 1 18 . 1 1 38 38 THR CB C 38 65.800 65.800 69.357 -3.557 17818 9092 1 18 . 1 1 38 38 THR H H 38 10.650 10.650 7.570 3.080 17818 9093 1 18 . 1 1 39 39 LYS N N 39 127.000 127.000 124.465 2.535 17818 9094 1 18 . 1 1 39 39 LYS CA C 39 53.400 53.400 53.356 0.044 17818 9095 1 18 . 1 1 39 39 LYS CB C 39 33.200 33.200 32.713 0.487 17818 9096 1 18 . 1 1 39 39 LYS H H 39 8.390 8.390 8.184 0.206 17818 9097 1 18 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.220 -0.020 17818 9098 1 18 . 1 1 40 40 PRO CB C 40 33.300 33.300 32.913 0.387 17818 9099 1 18 . 1 1 41 41 GLN N N 41 120.900 120.900 117.750 3.150 17818 9100 1 18 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.447 0.013 17818 9101 1 18 . 1 1 41 41 GLN CA C 41 53.700 53.700 54.492 -0.792 17818 9102 1 18 . 1 1 41 41 GLN CB C 41 31.500 31.500 31.201 0.299 17818 9103 1 18 . 1 1 41 41 GLN H H 41 8.750 8.750 8.236 0.514 17818 9104 1 18 . 1 1 42 42 ALA N N 42 125.700 125.700 124.340 1.360 17818 9105 1 18 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.912 -1.132 17818 9106 1 18 . 1 1 42 42 ALA CA C 42 53.400 53.400 52.042 1.358 17818 9107 1 18 . 1 1 42 42 ALA CB C 42 17.800 17.800 17.811 -0.011 17818 9108 1 18 . 1 1 42 42 ALA H H 42 8.550 8.550 8.639 -0.089 17818 9109 1 18 . 1 1 43 43 GLY N N 43 109.700 109.700 112.750 -3.050 17818 9110 1 18 . 1 1 43 43 GLY CA C 43 45.200 45.200 44.984 0.216 17818 9111 1 18 . 1 1 43 43 GLY H H 43 8.970 8.970 8.736 0.234 17818 9112 1 18 . 1 1 44 44 LYS N N 44 120.300 120.300 123.832 -3.532 17818 9113 1 18 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.296 0.374 17818 9114 1 18 . 1 1 44 44 LYS CA C 44 53.800 53.800 55.671 -1.871 17818 9115 1 18 . 1 1 44 44 LYS CB C 44 34.100 34.100 33.175 0.925 17818 9116 1 18 . 1 1 44 44 LYS H H 44 7.920 7.920 7.498 0.422 17818 9117 1 18 . 1 1 45 45 LYS N N 45 120.800 120.800 126.864 -6.064 17818 9118 1 18 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.199 0.321 17818 9119 1 18 . 1 1 45 45 LYS CA C 45 56.300 56.300 56.077 0.223 17818 9120 1 18 . 1 1 45 45 LYS CB C 45 32.900 32.900 31.984 0.916 17818 9121 1 18 . 1 1 45 45 LYS H H 45 8.340 8.340 8.578 -0.238 17818 9122 1 18 . 1 1 46 46 VAL N N 46 117.600 117.600 123.776 -6.176 17818 9123 1 18 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.457 0.103 17818 9124 1 18 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.383 -0.483 17818 9125 1 18 . 1 1 46 46 VAL CB C 46 33.900 33.900 33.572 0.328 17818 9126 1 18 . 1 1 46 46 VAL H H 46 8.560 8.560 8.577 -0.017 17818 9127 1 18 . 1 1 47 47 THR N N 47 115.600 115.600 122.395 -6.795 17818 9128 1 18 . 1 1 47 47 THR HA H 47 5.100 5.100 4.758 0.342 17818 9129 1 18 . 1 1 47 47 THR CA C 47 61.600 61.600 62.605 -1.005 17818 9130 1 18 . 1 1 47 47 THR CB C 47 69.800 69.800 68.608 1.192 17818 9131 1 18 . 1 1 47 47 THR H H 47 8.130 8.130 8.401 -0.271 17818 9132 1 18 . 1 1 48 48 VAL N N 48 118.100 118.100 120.521 -2.421 17818 9133 1 18 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.192 0.598 17818 9134 1 18 . 1 1 48 48 VAL CA C 48 58.000 58.000 58.364 -0.364 17818 9135 1 18 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.626 -0.126 17818 9136 1 18 . 1 1 48 48 VAL H H 48 9.740 9.740 9.163 0.577 17818 9137 1 18 . 1 1 49 49 HIS N N 49 119.000 119.000 117.964 1.036 17818 9138 1 18 . 1 1 49 49 HIS HA H 49 5.810 5.810 4.860 0.950 17818 9139 1 18 . 1 1 49 49 HIS CA C 49 54.600 54.600 54.142 0.458 17818 9140 1 18 . 1 1 49 49 HIS CB C 49 35.600 35.600 33.978 1.622 17818 9141 1 18 . 1 1 49 49 HIS H H 49 8.630 8.630 8.358 0.272 17818 9142 1 18 . 1 1 50 50 TYR N N 50 116.800 116.800 123.072 -6.272 17818 9143 1 18 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.375 0.855 17818 9144 1 18 . 1 1 50 50 TYR CA C 50 56.000 56.000 56.275 -0.275 17818 9145 1 18 . 1 1 50 50 TYR CB C 50 43.500 43.500 41.405 2.095 17818 9146 1 18 . 1 1 50 50 TYR H H 50 9.870 9.870 8.644 1.226 17818 9147 1 18 . 1 1 51 51 ASP N N 51 120.400 120.400 119.370 1.030 17818 9148 1 18 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.840 0.110 17818 9149 1 18 . 1 1 51 51 ASP CA C 51 54.400 54.400 52.699 1.702 17818 9150 1 18 . 1 1 51 51 ASP CB C 51 44.900 44.900 45.517 -0.617 17818 9151 1 18 . 1 1 51 51 ASP H H 51 8.840 8.840 8.742 0.098 17818 9152 1 18 . 1 1 52 52 GLY N N 52 112.500 112.500 107.879 4.621 17818 9153 1 18 . 1 1 52 52 GLY CA C 52 45.300 45.300 44.019 1.281 17818 9154 1 18 . 1 1 52 52 GLY H H 52 9.130 9.130 8.467 0.663 17818 9155 1 18 . 1 1 53 53 ARG N N 53 125.200 125.200 123.332 1.868 17818 9156 1 18 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.733 0.297 17818 9157 1 18 . 1 1 53 53 ARG CA C 53 53.900 53.900 54.414 -0.514 17818 9158 1 18 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.596 0.204 17818 9159 1 18 . 1 1 53 53 ARG H H 53 9.370 9.370 8.618 0.752 17818 9160 1 18 . 1 1 54 54 PHE N N 54 119.400 119.400 123.072 -3.672 17818 9161 1 18 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.883 -0.642 17818 9162 1 18 . 1 1 54 54 PHE CA C 54 57.300 57.300 56.657 0.643 17818 9163 1 18 . 1 1 54 54 PHE CB C 54 37.700 37.700 38.788 -1.088 17818 9164 1 18 . 1 1 54 54 PHE H H 54 8.770 8.770 9.187 -0.417 17818 9165 1 18 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.191 0.089 17818 9166 1 18 . 1 1 55 55 PRO CA C 55 65.700 65.700 65.071 0.629 17818 9167 1 18 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.535 0.265 17818 9168 1 18 . 1 1 56 56 ASP N N 56 113.600 113.600 116.239 -2.639 17818 9169 1 18 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.446 0.024 17818 9170 1 18 . 1 1 56 56 ASP CA C 56 53.900 53.900 54.705 -0.805 17818 9171 1 18 . 1 1 56 56 ASP CB C 56 39.800 39.800 41.035 -1.234 17818 9172 1 18 . 1 1 56 56 ASP H H 56 7.780 7.780 8.227 -0.447 17818 9173 1 18 . 1 1 57 57 GLY N N 57 108.700 108.700 108.567 0.133 17818 9174 1 18 . 1 1 57 57 GLY CA C 57 44.900 44.900 44.672 0.228 17818 9175 1 18 . 1 1 57 57 GLY H H 57 8.440 8.440 8.179 0.261 17818 9176 1 18 . 1 1 58 58 LYS N N 58 122.800 122.800 123.029 -0.229 17818 9177 1 18 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.372 -0.122 17818 9178 1 18 . 1 1 58 58 LYS CA C 58 57.500 57.500 56.651 0.849 17818 9179 1 18 . 1 1 58 58 LYS CB C 58 32.600 32.600 33.216 -0.616 17818 9180 1 18 . 1 1 58 58 LYS H H 58 8.230 8.230 8.253 -0.023 17818 9181 1 18 . 1 1 59 59 GLN N N 59 125.800 125.800 122.669 3.131 17818 9182 1 18 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.747 -0.297 17818 9183 1 18 . 1 1 59 59 GLN CA C 59 56.300 56.300 54.632 1.668 17818 9184 1 18 . 1 1 59 59 GLN CB C 59 30.900 30.900 31.005 -0.105 17818 9185 1 18 . 1 1 59 59 GLN H H 59 8.810 8.810 8.405 0.405 17818 9186 1 18 . 1 1 60 60 PHE N N 60 121.200 121.200 121.429 -0.229 17818 9187 1 18 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.576 0.524 17818 9188 1 18 . 1 1 60 60 PHE CA C 60 56.500 56.500 58.524 -2.024 17818 9189 1 18 . 1 1 60 60 PHE CB C 60 40.900 40.900 39.545 1.355 17818 9190 1 18 . 1 1 60 60 PHE H H 60 8.340 8.340 8.950 -0.610 17818 9191 1 18 . 1 1 61 61 ASP N N 61 119.100 119.100 119.380 -0.280 17818 9192 1 18 . 1 1 61 61 ASP CA C 61 54.700 54.700 54.000 0.700 17818 9193 1 18 . 1 1 61 61 ASP CB C 61 44.200 44.200 42.860 1.340 17818 9194 1 18 . 1 1 61 61 ASP H H 61 7.030 7.030 7.240 -0.210 17818 9195 1 18 . 1 1 62 62 SER N N 62 117.400 117.400 119.731 -2.331 17818 9196 1 18 . 1 1 62 62 SER CA C 62 57.000 57.000 57.013 -0.013 17818 9197 1 18 . 1 1 62 62 SER CB C 62 64.800 64.800 63.059 1.740 17818 9198 1 18 . 1 1 62 62 SER H H 62 8.100 8.100 8.512 -0.412 17818 9199 1 18 . 1 1 63 63 SER N N 63 123.600 123.600 124.845 -1.245 17818 9200 1 18 . 1 1 63 63 SER HA H 63 4.200 4.200 4.409 -0.209 17818 9201 1 18 . 1 1 63 63 SER CA C 63 61.300 61.300 60.460 0.840 17818 9202 1 18 . 1 1 63 63 SER CB C 63 61.300 61.300 63.507 -2.207 17818 9203 1 18 . 1 1 63 63 SER H H 63 8.070 8.070 8.931 -0.861 17818 9204 1 18 . 1 1 64 64 ARG N N 64 124.000 124.000 120.986 3.014 17818 9205 1 18 . 1 1 64 64 ARG HA H 64 3.620 3.620 4.412 -0.792 17818 9206 1 18 . 1 1 64 64 ARG CA C 64 59.300 59.300 58.758 0.542 17818 9207 1 18 . 1 1 64 64 ARG CB C 64 28.800 28.800 29.518 -0.718 17818 9208 1 18 . 1 1 64 64 ARG H H 64 8.810 8.810 8.462 0.348 17818 9209 1 18 . 1 1 65 65 SER N N 65 114.600 114.600 115.169 -0.569 17818 9210 1 18 . 1 1 65 65 SER HA H 65 4.190 4.190 4.336 -0.146 17818 9211 1 18 . 1 1 65 65 SER CA C 65 60.700 60.700 60.100 0.600 17818 9212 1 18 . 1 1 65 65 SER CB C 65 62.700 62.700 63.014 -0.314 17818 9213 1 18 . 1 1 65 65 SER H H 65 7.800 7.800 7.978 -0.178 17818 9214 1 18 . 1 1 66 66 ARG N N 66 118.000 118.000 120.086 -2.086 17818 9215 1 18 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.263 0.157 17818 9216 1 18 . 1 1 66 66 ARG CA C 66 57.100 57.100 56.380 0.720 17818 9217 1 18 . 1 1 66 66 ARG CB C 66 31.500 31.500 30.226 1.274 17818 9218 1 18 . 1 1 66 66 ARG H H 66 7.110 7.110 7.384 -0.274 17818 9219 1 18 . 1 1 67 67 GLY N N 67 106.700 106.700 107.368 -0.668 17818 9220 1 18 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.614 0.186 17818 9221 1 18 . 1 1 67 67 GLY H H 67 7.800 7.800 7.881 -0.081 17818 9222 1 18 . 1 1 68 68 LYS N N 68 117.600 117.600 121.232 -3.632 17818 9223 1 18 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.771 0.239 17818 9224 1 18 . 1 1 68 68 LYS CA C 68 53.100 53.100 53.076 0.024 17818 9225 1 18 . 1 1 68 68 LYS CB C 68 34.900 34.900 33.944 0.956 17818 9226 1 18 . 1 1 68 68 LYS H H 68 7.440 7.440 7.958 -0.518 17818 9227 1 18 . 1 1 69 69 PRO HA H 69 4.060 4.060 4.726 -0.666 17818 9228 1 18 . 1 1 69 69 PRO CA C 69 62.700 62.700 62.035 0.665 17818 9229 1 18 . 1 1 69 69 PRO CB C 69 32.300 32.300 32.701 -0.401 17818 9230 1 18 . 1 1 70 70 PHE N N 70 123.200 123.200 119.675 3.525 17818 9231 1 18 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.939 0.101 17818 9232 1 18 . 1 1 70 70 PHE CA C 70 57.100 57.100 57.083 0.017 17818 9233 1 18 . 1 1 70 70 PHE CB C 70 42.900 42.900 43.117 -0.216 17818 9234 1 18 . 1 1 70 70 PHE H H 70 9.180 9.180 8.981 0.199 17818 9235 1 18 . 1 1 71 71 GLN N N 71 126.000 126.000 126.128 -0.128 17818 9236 1 18 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.434 0.316 17818 9237 1 18 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.203 -0.903 17818 9238 1 18 . 1 1 71 71 GLN CB C 71 32.900 32.900 31.317 1.583 17818 9239 1 18 . 1 1 71 71 GLN H H 71 8.020 8.020 8.086 -0.066 17818 9240 1 18 . 1 1 72 72 PHE N N 72 116.800 116.800 119.709 -2.909 17818 9241 1 18 . 1 1 72 72 PHE HA H 72 4.700 4.700 4.827 -0.127 17818 9242 1 18 . 1 1 72 72 PHE CA C 72 55.500 55.500 56.026 -0.526 17818 9243 1 18 . 1 1 72 72 PHE CB C 72 40.900 40.900 41.593 -0.693 17818 9244 1 18 . 1 1 72 72 PHE H H 72 8.110 8.110 8.868 -0.758 17818 9245 1 18 . 1 1 73 73 THR N N 73 118.800 118.800 119.214 -0.414 17818 9246 1 18 . 1 1 73 73 THR HA H 73 3.960 3.960 4.319 -0.359 17818 9247 1 18 . 1 1 73 73 THR CA C 73 62.600 62.600 63.732 -1.132 17818 9248 1 18 . 1 1 73 73 THR CB C 73 67.500 67.500 68.348 -0.848 17818 9249 1 18 . 1 1 73 73 THR H H 73 9.080 9.080 8.802 0.278 17818 9250 1 18 . 1 1 74 74 LEU N N 74 132.500 132.500 129.272 3.228 17818 9251 1 18 . 1 1 74 74 LEU HA H 74 4.140 4.140 3.966 0.174 17818 9252 1 18 . 1 1 74 74 LEU CA C 74 56.800 56.800 55.588 1.212 17818 9253 1 18 . 1 1 74 74 LEU CB C 74 41.800 41.800 42.557 -0.757 17818 9254 1 18 . 1 1 74 74 LEU H H 74 8.220 8.220 8.241 -0.021 17818 9255 1 18 . 1 1 75 75 GLY N N 75 118.100 118.100 113.939 4.161 17818 9256 1 18 . 1 1 75 75 GLY CA C 75 46.200 46.200 45.200 1.000 17818 9257 1 18 . 1 1 75 75 GLY H H 75 9.850 9.850 8.823 1.027 17818 9258 1 18 . 1 1 76 76 ALA N N 76 120.600 120.600 122.737 -2.137 17818 9259 1 18 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.774 -0.274 17818 9260 1 18 . 1 1 76 76 ALA CA C 76 51.900 51.900 50.703 1.197 17818 9261 1 18 . 1 1 76 76 ALA CB C 76 20.200 20.200 21.117 -0.917 17818 9262 1 18 . 1 1 76 76 ALA H H 76 7.550 7.550 7.468 0.082 17818 9263 1 18 . 1 1 77 77 GLY N N 77 110.500 110.500 107.902 2.598 17818 9264 1 18 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.500 0.900 17818 9265 1 18 . 1 1 77 77 GLY H H 77 8.790 8.790 8.704 0.085 17818 9266 1 18 . 1 1 78 78 GLU N N 78 119.400 119.400 121.069 -1.669 17818 9267 1 18 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.375 -0.225 17818 9268 1 18 . 1 1 78 78 GLU CA C 78 57.200 57.200 57.591 -0.391 17818 9269 1 18 . 1 1 78 78 GLU CB C 78 30.900 30.900 30.406 0.494 17818 9270 1 18 . 1 1 78 78 GLU H H 78 9.240 9.240 8.435 0.805 17818 9271 1 18 . 1 1 79 79 VAL N N 79 108.600 108.600 114.334 -5.734 17818 9272 1 18 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.469 -0.249 17818 9273 1 18 . 1 1 79 79 VAL CA C 79 57.300 57.300 60.043 -2.743 17818 9274 1 18 . 1 1 79 79 VAL CB C 79 35.400 35.400 34.056 1.344 17818 9275 1 18 . 1 1 79 79 VAL H H 79 6.760 6.760 7.557 -0.797 17818 9276 1 18 . 1 1 80 80 ILE N N 80 111.800 111.800 115.210 -3.410 17818 9277 1 18 . 1 1 80 80 ILE HA H 80 3.800 3.800 3.909 -0.109 17818 9278 1 18 . 1 1 80 80 ILE CA C 80 61.800 61.800 61.587 0.213 17818 9279 1 18 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.158 -0.158 17818 9280 1 18 . 1 1 80 80 ILE H H 80 7.300 7.300 7.894 -0.594 17818 9281 1 18 . 1 1 81 81 LYS N N 81 124.700 124.700 126.044 -1.344 17818 9282 1 18 . 1 1 81 81 LYS HA H 81 4.160 4.160 3.987 0.173 17818 9283 1 18 . 1 1 81 81 LYS CA C 81 59.700 59.700 58.937 0.763 17818 9284 1 18 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.489 1.311 17818 9285 1 18 . 1 1 81 81 LYS H H 81 8.880 8.880 8.746 0.134 17818 9286 1 18 . 1 1 82 82 GLY N N 82 101.700 101.700 107.522 -5.822 17818 9287 1 18 . 1 1 82 82 GLY CA C 82 47.300 47.300 47.242 0.057 17818 9288 1 18 . 1 1 82 82 GLY H H 82 9.580 9.580 7.968 1.612 17818 9289 1 18 . 1 1 83 83 TRP N N 83 119.300 119.300 122.039 -2.739 17818 9290 1 18 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.589 -0.579 17818 9291 1 18 . 1 1 83 83 TRP CA C 83 59.300 59.300 57.057 2.243 17818 9292 1 18 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.681 0.419 17818 9293 1 18 . 1 1 83 83 TRP H H 83 7.450 7.450 7.501 -0.051 17818 9294 1 18 . 1 1 84 84 ASP N N 84 120.900 120.900 120.501 0.399 17818 9295 1 18 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.506 -0.506 17818 9296 1 18 . 1 1 84 84 ASP CA C 84 58.200 58.200 58.096 0.104 17818 9297 1 18 . 1 1 84 84 ASP CB C 84 41.000 41.000 41.003 -0.003 17818 9298 1 18 . 1 1 84 84 ASP H H 84 7.120 7.120 8.494 -1.374 17818 9299 1 18 . 1 1 85 85 GLN N N 85 114.500 114.500 118.721 -4.221 17818 9300 1 18 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.016 -0.016 17818 9301 1 18 . 1 1 85 85 GLN CA C 85 58.200 58.200 58.464 -0.264 17818 9302 1 18 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.845 0.055 17818 9303 1 18 . 1 1 85 85 GLN H H 85 8.360 8.360 8.300 0.060 17818 9304 1 18 . 1 1 86 86 GLY N N 86 106.300 106.300 107.372 -1.072 17818 9305 1 18 . 1 1 86 86 GLY CA C 86 47.700 47.700 47.198 0.502 17818 9306 1 18 . 1 1 86 86 GLY H H 86 7.960 7.960 8.169 -0.209 17818 9307 1 18 . 1 1 87 87 VAL N N 87 125.300 125.300 116.724 8.576 17818 9308 1 18 . 1 1 87 87 VAL HA H 87 3.630 3.630 3.973 -0.343 17818 9309 1 18 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.278 2.122 17818 9310 1 18 . 1 1 87 87 VAL CB C 87 30.300 30.300 31.558 -1.258 17818 9311 1 18 . 1 1 87 87 VAL H H 87 9.090 9.090 8.050 1.040 17818 9312 1 18 . 1 1 88 88 ALA N N 88 116.500 116.500 123.098 -6.598 17818 9313 1 18 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.219 -0.229 17818 9314 1 18 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.221 0.079 17818 9315 1 18 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.663 -0.063 17818 9316 1 18 . 1 1 88 88 ALA H H 88 6.750 6.750 8.171 -1.421 17818 9317 1 18 . 1 1 89 89 THR N N 89 105.500 105.500 113.089 -7.589 17818 9318 1 18 . 1 1 89 89 THR HA H 89 4.520 4.520 4.310 0.210 17818 9319 1 18 . 1 1 89 89 THR CA C 89 62.300 62.300 61.597 0.702 17818 9320 1 18 . 1 1 89 89 THR CB C 89 71.100 71.100 68.786 2.314 17818 9321 1 18 . 1 1 89 89 THR H H 89 7.400 7.400 8.068 -0.668 17818 9322 1 18 . 1 1 90 90 MET N N 90 122.400 122.400 117.911 4.489 17818 9323 1 18 . 1 1 90 90 MET CA C 90 56.200 56.200 54.073 2.127 17818 9324 1 18 . 1 1 90 90 MET CB C 90 36.800 36.800 36.251 0.549 17818 9325 1 18 . 1 1 90 90 MET H H 90 7.550 7.550 7.374 0.176 17818 9326 1 18 . 1 1 91 91 THR N N 91 105.200 105.200 109.151 -3.951 17818 9327 1 18 . 1 1 91 91 THR HA H 91 5.120 5.120 4.617 0.503 17818 9328 1 18 . 1 1 91 91 THR CA C 91 59.800 59.800 59.774 0.026 17818 9329 1 18 . 1 1 91 91 THR CB C 91 71.900 71.900 71.925 -0.025 17818 9330 1 18 . 1 1 91 91 THR H H 91 7.350 7.350 8.358 -1.008 17818 9331 1 18 . 1 1 92 92 LEU N N 92 121.200 121.200 122.801 -1.601 17818 9332 1 18 . 1 1 92 92 LEU HA H 92 3.600 3.600 3.780 -0.180 17818 9333 1 18 . 1 1 92 92 LEU CA C 92 58.100 58.100 56.429 1.671 17818 9334 1 18 . 1 1 92 92 LEU CB C 92 43.400 43.400 41.732 1.668 17818 9335 1 18 . 1 1 92 92 LEU H H 92 8.180 8.180 8.380 -0.200 17818 9336 1 18 . 1 1 93 93 GLY N N 93 115.800 115.800 114.032 1.768 17818 9337 1 18 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.112 -0.412 17818 9338 1 18 . 1 1 93 93 GLY H H 93 8.490 8.490 8.932 -0.442 17818 9339 1 18 . 1 1 94 94 GLU N N 94 123.700 123.700 121.285 2.415 17818 9340 1 18 . 1 1 94 94 GLU HA H 94 4.290 4.290 4.665 -0.375 17818 9341 1 18 . 1 1 94 94 GLU CA C 94 56.100 56.100 56.087 0.013 17818 9342 1 18 . 1 1 94 94 GLU CB C 94 33.500 33.500 32.208 1.292 17818 9343 1 18 . 1 1 94 94 GLU H H 94 8.650 8.650 7.891 0.759 17818 9344 1 18 . 1 1 95 95 LYS N N 95 124.200 124.200 125.471 -1.271 17818 9345 1 18 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.392 0.168 17818 9346 1 18 . 1 1 95 95 LYS CA C 95 54.600 54.600 55.291 -0.691 17818 9347 1 18 . 1 1 95 95 LYS CB C 95 35.300 35.300 36.565 -1.265 17818 9348 1 18 . 1 1 95 95 LYS H H 95 8.950 8.950 8.855 0.095 17818 9349 1 18 . 1 1 96 96 ALA N N 96 129.100 129.100 128.102 0.998 17818 9350 1 18 . 1 1 96 96 ALA HA H 96 4.990 4.990 4.881 0.109 17818 9351 1 18 . 1 1 96 96 ALA CA C 96 50.500 50.500 51.020 -0.520 17818 9352 1 18 . 1 1 96 96 ALA CB C 96 23.900 23.900 23.186 0.713 17818 9353 1 18 . 1 1 96 96 ALA H H 96 9.530 9.530 9.150 0.380 17818 9354 1 18 . 1 1 97 97 LEU N N 97 122.200 122.200 123.026 -0.826 17818 9355 1 18 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.737 0.443 17818 9356 1 18 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.327 -1.327 17818 9357 1 18 . 1 1 97 97 LEU CB C 97 45.800 45.800 43.209 2.591 17818 9358 1 18 . 1 1 97 97 LEU H H 97 9.100 9.100 8.561 0.539 17818 9359 1 18 . 1 1 98 98 PHE N N 98 125.800 125.800 129.367 -3.567 17818 9360 1 18 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.432 0.268 17818 9361 1 18 . 1 1 98 98 PHE CA C 98 56.500 56.500 55.438 1.062 17818 9362 1 18 . 1 1 98 98 PHE CB C 98 42.300 42.300 43.604 -1.304 17818 9363 1 18 . 1 1 98 98 PHE H H 98 9.940 9.940 9.325 0.615 17818 9364 1 18 . 1 1 99 99 THR N N 99 121.600 121.600 123.589 -1.989 17818 9365 1 18 . 1 1 99 99 THR CA C 99 63.500 63.500 62.422 1.079 17818 9366 1 18 . 1 1 99 99 THR CB C 99 68.600 68.600 68.942 -0.342 17818 9367 1 18 . 1 1 99 99 THR H H 99 9.100 9.100 8.030 1.070 17818 9368 1 18 . 1 1 100 100 ILE N N 100 127.400 127.400 129.421 -2.021 17818 9369 1 18 . 1 1 100 100 ILE CA C 100 58.700 58.700 56.777 1.923 17818 9370 1 18 . 1 1 100 100 ILE CB C 100 39.400 39.400 37.981 1.419 17818 9371 1 18 . 1 1 100 100 ILE H H 100 9.880 9.880 8.821 1.059 17818 9372 1 18 . 1 1 101 101 PRO CA C 101 62.200 62.200 62.544 -0.344 17818 9373 1 18 . 1 1 101 101 PRO CB C 101 32.500 32.500 31.669 0.831 17818 9374 1 18 . 1 1 102 102 TYR N N 102 118.100 118.100 121.914 -3.814 17818 9375 1 18 . 1 1 102 102 TYR HA H 102 4.470 4.470 4.007 0.463 17818 9376 1 18 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.986 0.114 17818 9377 1 18 . 1 1 102 102 TYR CB C 102 37.000 37.000 37.204 -0.204 17818 9378 1 18 . 1 1 102 102 TYR H H 102 8.450 8.450 8.152 0.298 17818 9379 1 18 . 1 1 103 103 GLN N N 103 123.800 123.800 117.427 6.373 17818 9380 1 18 . 1 1 103 103 GLN HA H 103 4.050 4.050 4.030 0.020 17818 9381 1 18 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.661 1.839 17818 9382 1 18 . 1 1 103 103 GLN CB C 103 27.300 27.300 27.716 -0.416 17818 9383 1 18 . 1 1 103 103 GLN H H 103 9.080 9.080 7.765 1.315 17818 9384 1 18 . 1 1 104 104 LEU N N 104 116.800 116.800 119.349 -2.549 17818 9385 1 18 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.451 0.069 17818 9386 1 18 . 1 1 104 104 LEU CA C 104 53.100 53.100 54.112 -1.012 17818 9387 1 18 . 1 1 104 104 LEU CB C 104 43.400 43.400 41.999 1.401 17818 9388 1 18 . 1 1 104 104 LEU H H 104 7.790 7.790 7.510 0.280 17818 9389 1 18 . 1 1 105 105 ALA N N 105 125.400 125.400 120.691 4.709 17818 9390 1 18 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.414 0.056 17818 9391 1 18 . 1 1 105 105 ALA CA C 105 51.000 51.000 51.472 -0.472 17818 9392 1 18 . 1 1 105 105 ALA CB C 105 18.900 18.900 20.084 -1.184 17818 9393 1 18 . 1 1 105 105 ALA H H 105 7.780 7.780 7.402 0.378 17818 9394 1 18 . 1 1 106 106 TYR N N 106 122.000 122.000 117.067 4.933 17818 9395 1 18 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.466 0.144 17818 9396 1 18 . 1 1 106 106 TYR CA C 106 59.300 59.300 58.934 0.366 17818 9397 1 18 . 1 1 106 106 TYR CB C 106 37.400 37.400 37.878 -0.478 17818 9398 1 18 . 1 1 106 106 TYR H H 106 9.430 9.430 8.351 1.079 17818 9399 1 18 . 1 1 107 107 GLY N N 107 105.500 105.500 108.385 -2.885 17818 9400 1 18 . 1 1 107 107 GLY CA C 107 46.500 46.500 45.989 0.512 17818 9401 1 18 . 1 1 107 107 GLY H H 107 8.490 8.490 8.109 0.381 17818 9402 1 18 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.224 -0.714 17818 9403 1 18 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.882 -0.382 17818 9404 1 18 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.560 0.040 17818 9405 1 18 . 1 1 109 109 ARG N N 109 115.900 115.900 119.866 -3.966 17818 9406 1 18 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.112 0.068 17818 9407 1 18 . 1 1 109 109 ARG CA C 109 57.400 57.400 55.446 1.954 17818 9408 1 18 . 1 1 109 109 ARG CB C 109 30.700 30.700 31.158 -0.458 17818 9409 1 18 . 1 1 109 109 ARG H H 109 8.840 8.840 7.607 1.233 17818 9410 1 18 . 1 1 110 110 GLY N N 110 130.700 130.700 105.929 24.771 17818 9411 1 18 . 1 1 110 110 GLY CA C 110 44.800 44.800 45.052 -0.252 17818 9412 1 18 . 1 1 110 110 GLY H H 110 7.140 7.140 7.954 -0.814 17818 9413 1 18 . 1 1 111 111 TYR N N 111 119.700 119.700 121.807 -2.107 17818 9414 1 18 . 1 1 111 111 TYR CA C 111 54.500 54.500 59.105 -4.605 17818 9415 1 18 . 1 1 111 111 TYR CB C 111 38.600 38.600 38.514 0.086 17818 9416 1 18 . 1 1 111 111 TYR H H 111 8.570 8.570 8.203 0.367 17818 9417 1 18 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.692 -0.892 17818 9418 1 18 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.430 2.870 17818 9419 1 18 . 1 1 114 114 VAL N N 114 122.900 122.900 111.443 11.457 17818 9420 1 18 . 1 1 114 114 VAL HA H 114 3.850 3.850 4.056 -0.206 17818 9421 1 18 . 1 1 114 114 VAL CA C 114 65.600 65.600 64.185 1.415 17818 9422 1 18 . 1 1 114 114 VAL CB C 114 33.000 33.000 32.177 0.823 17818 9423 1 18 . 1 1 114 114 VAL H H 114 7.870 7.870 7.835 0.035 17818 9424 1 18 . 1 1 115 115 ILE N N 115 118.100 118.100 121.645 -3.545 17818 9425 1 18 . 1 1 115 115 ILE CA C 115 56.300 56.300 57.368 -1.068 17818 9426 1 18 . 1 1 115 115 ILE CB C 115 37.700 37.700 38.103 -0.403 17818 9427 1 18 . 1 1 115 115 ILE H H 115 7.550 7.550 8.029 -0.479 17818 9428 1 18 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.152 -0.532 17818 9429 1 18 . 1 1 117 117 PRO CA C 117 63.400 63.400 64.073 -0.673 17818 9430 1 18 . 1 1 117 117 PRO CB C 117 32.800 32.800 31.321 1.479 17818 9431 1 18 . 1 1 118 118 LYS N N 118 115.100 115.100 116.397 -1.297 17818 9432 1 18 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.249 -0.669 17818 9433 1 18 . 1 1 118 118 LYS CA C 118 57.900 57.900 56.749 1.151 17818 9434 1 18 . 1 1 118 118 LYS CB C 118 29.700 29.700 29.448 0.252 17818 9435 1 18 . 1 1 118 118 LYS H H 118 7.330 7.330 8.352 -1.022 17818 9436 1 18 . 1 1 119 119 ALA N N 119 121.900 121.900 121.883 0.017 17818 9437 1 18 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.521 -0.071 17818 9438 1 18 . 1 1 119 119 ALA CA C 119 52.700 52.700 51.209 1.491 17818 9439 1 18 . 1 1 119 119 ALA CB C 119 20.100 20.100 20.043 0.057 17818 9440 1 18 . 1 1 119 119 ALA H H 119 7.900 7.900 7.880 0.020 17818 9441 1 18 . 1 1 120 120 THR N N 120 121.800 121.800 120.699 1.101 17818 9442 1 18 . 1 1 120 120 THR CA C 120 63.100 63.100 63.525 -0.425 17818 9443 1 18 . 1 1 120 120 THR CB C 120 69.800 69.800 69.665 0.136 17818 9444 1 18 . 1 1 120 120 THR H H 120 8.170 8.170 8.482 -0.312 17818 9445 1 18 . 1 1 121 121 LEU N N 121 124.200 124.200 127.262 -3.062 17818 9446 1 18 . 1 1 121 121 LEU CA C 121 53.100 53.100 53.064 0.036 17818 9447 1 18 . 1 1 121 121 LEU CB C 121 46.300 46.300 46.326 -0.026 17818 9448 1 18 . 1 1 121 121 LEU H H 121 8.640 8.640 8.988 -0.348 17818 9449 1 18 . 1 1 122 122 VAL N N 122 122.200 122.200 123.981 -1.781 17818 9450 1 18 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.393 0.897 17818 9451 1 18 . 1 1 122 122 VAL CA C 122 60.700 60.700 62.038 -1.338 17818 9452 1 18 . 1 1 122 122 VAL CB C 122 33.300 33.300 32.163 1.137 17818 9453 1 18 . 1 1 122 122 VAL H H 122 8.860 8.860 8.551 0.309 17818 9454 1 18 . 1 1 123 123 PHE N N 123 122.900 122.900 128.021 -5.121 17818 9455 1 18 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.314 0.086 17818 9456 1 18 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.303 -0.903 17818 9457 1 18 . 1 1 123 123 PHE CB C 123 44.000 44.000 42.313 1.687 17818 9458 1 18 . 1 1 123 123 PHE H H 123 9.620 9.620 9.353 0.267 17818 9459 1 18 . 1 1 124 124 GLU N N 124 125.500 125.500 124.658 0.842 17818 9460 1 18 . 1 1 124 124 GLU HA H 124 5.900 5.900 5.052 0.848 17818 9461 1 18 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.033 -0.433 17818 9462 1 18 . 1 1 124 124 GLU CB C 124 31.800 31.800 30.603 1.197 17818 9463 1 18 . 1 1 124 124 GLU H H 124 9.180 9.180 8.762 0.418 17818 9464 1 18 . 1 1 125 125 VAL N N 125 128.100 128.100 120.453 7.647 17818 9465 1 18 . 1 1 125 125 VAL CA C 125 61.300 61.300 59.102 2.198 17818 9466 1 18 . 1 1 125 125 VAL CB C 125 35.800 35.800 34.589 1.211 17818 9467 1 18 . 1 1 125 125 VAL H H 125 9.600 9.600 8.979 0.621 17818 9468 1 18 . 1 1 126 126 GLU N N 126 128.500 128.500 123.838 4.662 17818 9469 1 18 . 1 1 126 126 GLU HA H 126 5.630 5.630 5.209 0.421 17818 9470 1 18 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.675 -1.175 17818 9471 1 18 . 1 1 126 126 GLU CB C 126 34.000 34.000 34.180 -0.180 17818 9472 1 18 . 1 1 126 126 GLU H H 126 9.420 9.420 8.760 0.660 17818 9473 1 18 . 1 1 127 127 LEU N N 127 127.900 127.900 127.337 0.563 17818 9474 1 18 . 1 1 127 127 LEU CA C 127 55.100 55.100 53.702 1.398 17818 9475 1 18 . 1 1 127 127 LEU CB C 127 41.400 41.400 42.991 -1.591 17818 9476 1 18 . 1 1 127 127 LEU H H 127 8.720 8.720 9.053 -0.333 17818 9477 1 18 . 1 1 128 128 LEU N N 128 128.700 128.700 129.112 -0.412 17818 9478 1 18 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.620 -0.220 17818 9479 1 18 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.306 0.594 17818 9480 1 18 . 1 1 128 128 LEU CB C 128 43.700 43.700 42.492 1.208 17818 9481 1 18 . 1 1 128 128 LEU H H 128 8.690 8.690 8.969 -0.279 17818 9482 1 18 . 1 1 129 129 ALA N N 129 118.600 118.600 119.071 -0.471 17818 9483 1 18 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.517 -0.057 17818 9484 1 18 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.987 0.813 17818 9485 1 18 . 1 1 129 129 ALA CB C 129 21.100 21.100 22.474 -1.374 17818 9486 1 18 . 1 1 129 129 ALA H H 129 7.810 7.810 7.930 -0.120 17818 9487 1 19 . 1 1 8 8 HIS CA C 8 54.700 54.700 56.292 -1.592 17818 9488 1 19 . 1 1 8 8 HIS CB C 8 31.200 31.200 31.365 -0.165 17818 9489 1 19 . 1 1 9 9 MET N N 9 120.000 120.000 121.848 -1.848 17818 9490 1 19 . 1 1 9 9 MET HA H 9 4.280 4.280 4.560 -0.280 17818 9491 1 19 . 1 1 9 9 MET CA C 9 55.500 55.500 54.956 0.543 17818 9492 1 19 . 1 1 9 9 MET CB C 9 32.500 32.500 31.796 0.704 17818 9493 1 19 . 1 1 9 9 MET H H 9 8.110 8.110 7.928 0.182 17818 9494 1 19 . 1 1 10 10 GLY N N 10 109.800 109.800 111.178 -1.378 17818 9495 1 19 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.520 -0.220 17818 9496 1 19 . 1 1 10 10 GLY H H 10 8.440 8.440 8.123 0.317 17818 9497 1 19 . 1 1 11 11 THR N N 11 113.600 113.600 112.108 1.492 17818 9498 1 19 . 1 1 11 11 THR HA H 11 4.330 4.330 3.839 0.491 17818 9499 1 19 . 1 1 11 11 THR CA C 11 62.000 62.000 62.722 -0.722 17818 9500 1 19 . 1 1 11 11 THR CB C 11 69.900 69.900 68.031 1.869 17818 9501 1 19 . 1 1 11 11 THR H H 11 8.070 8.070 8.248 -0.178 17818 9502 1 19 . 1 1 12 12 LEU N N 12 124.200 124.200 120.189 4.011 17818 9503 1 19 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.343 -0.023 17818 9504 1 19 . 1 1 12 12 LEU CA C 12 55.500 55.500 56.928 -1.427 17818 9505 1 19 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.341 -0.241 17818 9506 1 19 . 1 1 12 12 LEU H H 12 8.380 8.380 7.986 0.394 17818 9507 1 19 . 1 1 13 13 GLU N N 13 121.600 121.600 117.748 3.852 17818 9508 1 19 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.496 -0.296 17818 9509 1 19 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.302 1.598 17818 9510 1 19 . 1 1 13 13 GLU CB C 13 30.000 30.000 30.427 -0.427 17818 9511 1 19 . 1 1 13 13 GLU H H 13 8.430 8.430 7.879 0.551 17818 9512 1 19 . 1 1 14 14 ALA N N 14 124.400 124.400 120.704 3.696 17818 9513 1 19 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.540 -0.270 17818 9514 1 19 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.379 0.321 17818 9515 1 19 . 1 1 14 14 ALA CB C 14 19.100 19.100 19.501 -0.401 17818 9516 1 19 . 1 1 14 14 ALA H H 14 8.290 8.290 8.192 0.098 17818 9517 1 19 . 1 1 15 15 GLN N N 15 119.100 119.100 119.187 -0.087 17818 9518 1 19 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.685 -0.295 17818 9519 1 19 . 1 1 15 15 GLN CA C 15 56.000 56.000 55.124 0.876 17818 9520 1 19 . 1 1 15 15 GLN CB C 15 29.400 29.400 29.998 -0.598 17818 9521 1 19 . 1 1 15 15 GLN H H 15 8.370 8.370 8.287 0.083 17818 9522 1 19 . 1 1 16 16 THR N N 16 114.900 114.900 116.319 -1.419 17818 9523 1 19 . 1 1 16 16 THR CA C 16 62.100 62.100 62.212 -0.112 17818 9524 1 19 . 1 1 16 16 THR CB C 16 69.800 69.800 69.268 0.532 17818 9525 1 19 . 1 1 16 16 THR H H 16 8.200 8.200 8.323 -0.123 17818 9526 1 19 . 1 1 17 17 GLN N N 17 122.200 122.200 128.003 -5.803 17818 9527 1 19 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.273 0.157 17818 9528 1 19 . 1 1 17 17 GLN CA C 17 55.600 55.600 55.769 -0.169 17818 9529 1 19 . 1 1 17 17 GLN CB C 17 29.700 29.700 28.885 0.815 17818 9530 1 19 . 1 1 17 17 GLN H H 17 8.420 8.420 8.545 -0.125 17818 9531 1 19 . 1 1 18 18 GLY N N 18 110.100 110.100 114.376 -4.276 17818 9532 1 19 . 1 1 18 18 GLY CA C 18 44.600 44.600 45.312 -0.713 17818 9533 1 19 . 1 1 18 18 GLY H H 18 8.360 8.360 8.468 -0.108 17818 9534 1 19 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.303 0.137 17818 9535 1 19 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.332 0.268 17818 9536 1 19 . 1 1 19 19 PRO CB C 19 32.000 32.000 31.515 0.485 17818 9537 1 19 . 1 1 20 20 GLY N N 20 109.400 109.400 111.107 -1.707 17818 9538 1 19 . 1 1 20 20 GLY CA C 20 45.300 45.300 43.721 1.579 17818 9539 1 19 . 1 1 20 20 GLY H H 20 8.630 8.630 8.170 0.460 17818 9540 1 19 . 1 1 21 21 SER N N 21 115.400 115.400 114.875 0.525 17818 9541 1 19 . 1 1 21 21 SER CA C 21 63.800 63.800 60.951 2.849 17818 9542 1 19 . 1 1 21 21 SER CB C 21 69.800 69.800 63.570 6.230 17818 9543 1 19 . 1 1 21 21 SER H H 21 4.180 4.180 8.566 -4.386 17818 9544 1 19 . 1 1 22 22 MET N N 22 121.900 121.900 116.441 5.459 17818 9545 1 19 . 1 1 22 22 MET CA C 22 55.500 55.500 55.896 -0.396 17818 9546 1 19 . 1 1 22 22 MET CB C 22 32.800 32.800 32.671 0.129 17818 9547 1 19 . 1 1 22 22 MET H H 22 8.440 8.440 8.122 0.318 17818 9548 1 19 . 1 1 23 23 SER N N 23 116.600 116.600 116.033 0.567 17818 9549 1 19 . 1 1 23 23 SER HA H 23 4.400 4.400 4.512 -0.112 17818 9550 1 19 . 1 1 23 23 SER CA C 23 58.300 58.300 57.257 1.043 17818 9551 1 19 . 1 1 23 23 SER CB C 23 63.700 63.700 63.844 -0.144 17818 9552 1 19 . 1 1 23 23 SER H H 23 8.290 8.290 7.853 0.437 17818 9553 1 19 . 1 1 24 24 ALA N N 24 125.700 125.700 127.805 -2.105 17818 9554 1 19 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.120 0.170 17818 9555 1 19 . 1 1 24 24 ALA CA C 24 52.100 52.100 52.387 -0.287 17818 9556 1 19 . 1 1 24 24 ALA CB C 24 19.300 19.300 18.474 0.826 17818 9557 1 19 . 1 1 24 24 ALA H H 24 8.200 8.200 8.427 -0.227 17818 9558 1 19 . 1 1 25 25 GLN N N 25 118.300 118.300 124.045 -5.745 17818 9559 1 19 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.340 0.170 17818 9560 1 19 . 1 1 25 25 GLN CA C 25 54.200 54.200 54.931 -0.731 17818 9561 1 19 . 1 1 25 25 GLN CB C 25 31.300 31.300 29.657 1.643 17818 9562 1 19 . 1 1 25 25 GLN H H 25 8.280 8.280 8.269 0.011 17818 9563 1 19 . 1 1 26 26 LEU N N 26 122.100 122.100 123.683 -1.583 17818 9564 1 19 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.488 -0.028 17818 9565 1 19 . 1 1 26 26 LEU CA C 26 55.300 55.300 55.126 0.174 17818 9566 1 19 . 1 1 26 26 LEU CB C 26 43.500 43.500 45.113 -1.613 17818 9567 1 19 . 1 1 26 26 LEU H H 26 8.480 8.480 8.305 0.175 17818 9568 1 19 . 1 1 27 27 GLU N N 27 125.300 125.300 122.319 2.981 17818 9569 1 19 . 1 1 27 27 GLU CA C 27 55.300 55.300 54.948 0.352 17818 9570 1 19 . 1 1 27 27 GLU CB C 27 32.400 32.400 32.925 -0.525 17818 9571 1 19 . 1 1 27 27 GLU H H 27 8.240 8.240 8.210 0.030 17818 9572 1 19 . 1 1 28 28 LYS N N 28 125.000 125.000 122.151 2.849 17818 9573 1 19 . 1 1 28 28 LYS HA H 28 4.610 4.610 5.429 -0.819 17818 9574 1 19 . 1 1 28 28 LYS CA C 28 54.500 54.500 54.752 -0.252 17818 9575 1 19 . 1 1 28 28 LYS CB C 28 35.700 35.700 35.428 0.272 17818 9576 1 19 . 1 1 28 28 LYS H H 28 8.810 8.810 8.419 0.391 17818 9577 1 19 . 1 1 29 29 LYS N N 29 128.100 128.100 125.216 2.884 17818 9578 1 19 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.661 0.369 17818 9579 1 19 . 1 1 29 29 LYS CA C 29 55.000 55.000 53.958 1.042 17818 9580 1 19 . 1 1 29 29 LYS CB C 29 36.200 36.200 34.015 2.185 17818 9581 1 19 . 1 1 29 29 LYS H H 29 8.850 8.850 8.883 -0.033 17818 9582 1 19 . 1 1 30 30 VAL N N 30 127.200 127.200 124.858 2.342 17818 9583 1 19 . 1 1 30 30 VAL HA H 30 3.660 3.660 4.002 -0.342 17818 9584 1 19 . 1 1 30 30 VAL CA C 30 64.800 64.800 63.059 1.741 17818 9585 1 19 . 1 1 30 30 VAL CB C 30 31.600 31.600 30.851 0.749 17818 9586 1 19 . 1 1 30 30 VAL H H 30 9.170 9.170 8.751 0.419 17818 9587 1 19 . 1 1 31 31 LEU N N 31 129.800 129.800 129.527 0.273 17818 9588 1 19 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.501 -0.061 17818 9589 1 19 . 1 1 31 31 LEU CA C 31 56.000 56.000 55.904 0.096 17818 9590 1 19 . 1 1 31 31 LEU CB C 31 41.800 41.800 42.916 -1.117 17818 9591 1 19 . 1 1 31 31 LEU H H 31 9.020 9.020 8.845 0.175 17818 9592 1 19 . 1 1 32 32 THR N N 32 115.700 115.700 113.844 1.856 17818 9593 1 19 . 1 1 32 32 THR CA C 32 59.300 59.300 60.302 -1.002 17818 9594 1 19 . 1 1 32 32 THR CB C 32 72.500 72.500 70.476 2.024 17818 9595 1 19 . 1 1 32 32 THR H H 32 8.220 8.220 8.165 0.055 17818 9596 1 19 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.624 -0.334 17818 9597 1 19 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.605 0.395 17818 9598 1 19 . 1 1 33 33 PRO CB C 33 32.400 32.400 31.782 0.618 17818 9599 1 19 . 1 1 34 34 GLY N N 34 109.400 109.400 112.211 -2.811 17818 9600 1 19 . 1 1 34 34 GLY CA C 34 44.200 44.200 43.366 0.834 17818 9601 1 19 . 1 1 34 34 GLY H H 34 9.010 9.010 8.455 0.555 17818 9602 1 19 . 1 1 35 35 ASP N N 35 119.400 119.400 120.229 -0.829 17818 9603 1 19 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.237 0.093 17818 9604 1 19 . 1 1 35 35 ASP CA C 35 54.700 54.700 56.932 -2.232 17818 9605 1 19 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.119 -1.719 17818 9606 1 19 . 1 1 35 35 ASP H H 35 8.370 8.370 8.460 -0.090 17818 9607 1 19 . 1 1 36 36 GLY N N 36 107.900 107.900 105.746 2.154 17818 9608 1 19 . 1 1 36 36 GLY CA C 36 46.000 46.000 45.434 0.566 17818 9609 1 19 . 1 1 36 36 GLY H H 36 8.750 8.750 8.441 0.309 17818 9610 1 19 . 1 1 37 37 VAL N N 37 116.200 116.200 117.842 -1.642 17818 9611 1 19 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.342 0.158 17818 9612 1 19 . 1 1 37 37 VAL CA C 37 62.500 62.500 63.130 -0.630 17818 9613 1 19 . 1 1 37 37 VAL CB C 37 35.900 35.900 32.225 3.675 17818 9614 1 19 . 1 1 37 37 VAL H H 37 8.590 8.590 7.814 0.776 17818 9615 1 19 . 1 1 38 38 THR N N 38 126.400 126.400 117.081 9.319 17818 9616 1 19 . 1 1 38 38 THR HA H 38 4.210 4.210 4.205 0.005 17818 9617 1 19 . 1 1 38 38 THR CA C 38 63.300 63.300 63.057 0.243 17818 9618 1 19 . 1 1 38 38 THR CB C 38 65.800 65.800 69.351 -3.551 17818 9619 1 19 . 1 1 38 38 THR H H 38 10.650 10.650 8.312 2.338 17818 9620 1 19 . 1 1 39 39 LYS N N 39 127.000 127.000 122.769 4.231 17818 9621 1 19 . 1 1 39 39 LYS CA C 39 53.400 53.400 53.490 -0.090 17818 9622 1 19 . 1 1 39 39 LYS CB C 39 33.200 33.200 32.599 0.601 17818 9623 1 19 . 1 1 39 39 LYS H H 39 8.390 8.390 8.276 0.114 17818 9624 1 19 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.866 -0.666 17818 9625 1 19 . 1 1 40 40 PRO CB C 40 33.300 33.300 32.596 0.704 17818 9626 1 19 . 1 1 41 41 GLN N N 41 120.900 120.900 120.621 0.279 17818 9627 1 19 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.496 -0.036 17818 9628 1 19 . 1 1 41 41 GLN CA C 41 53.700 53.700 54.185 -0.485 17818 9629 1 19 . 1 1 41 41 GLN CB C 41 31.500 31.500 32.249 -0.750 17818 9630 1 19 . 1 1 41 41 GLN H H 41 8.750 8.750 8.281 0.469 17818 9631 1 19 . 1 1 42 42 ALA N N 42 125.700 125.700 122.976 2.724 17818 9632 1 19 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.196 -0.416 17818 9633 1 19 . 1 1 42 42 ALA CA C 42 53.400 53.400 52.642 0.758 17818 9634 1 19 . 1 1 42 42 ALA CB C 42 17.800 17.800 18.631 -0.831 17818 9635 1 19 . 1 1 42 42 ALA H H 42 8.550 8.550 8.503 0.047 17818 9636 1 19 . 1 1 43 43 GLY N N 43 109.700 109.700 110.861 -1.161 17818 9637 1 19 . 1 1 43 43 GLY CA C 43 45.200 45.200 44.863 0.337 17818 9638 1 19 . 1 1 43 43 GLY H H 43 8.970 8.970 8.889 0.081 17818 9639 1 19 . 1 1 44 44 LYS N N 44 120.300 120.300 122.178 -1.878 17818 9640 1 19 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.571 0.099 17818 9641 1 19 . 1 1 44 44 LYS CA C 44 53.800 53.800 54.206 -0.407 17818 9642 1 19 . 1 1 44 44 LYS CB C 44 34.100 34.100 34.603 -0.504 17818 9643 1 19 . 1 1 44 44 LYS H H 44 7.920 7.920 7.424 0.496 17818 9644 1 19 . 1 1 45 45 LYS N N 45 120.800 120.800 124.672 -3.872 17818 9645 1 19 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.227 0.293 17818 9646 1 19 . 1 1 45 45 LYS CA C 45 56.300 56.300 56.456 -0.156 17818 9647 1 19 . 1 1 45 45 LYS CB C 45 32.900 32.900 32.538 0.362 17818 9648 1 19 . 1 1 45 45 LYS H H 45 8.340 8.340 8.627 -0.287 17818 9649 1 19 . 1 1 46 46 VAL N N 46 117.600 117.600 122.324 -4.724 17818 9650 1 19 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.462 0.098 17818 9651 1 19 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.240 -0.340 17818 9652 1 19 . 1 1 46 46 VAL CB C 46 33.900 33.900 34.126 -0.225 17818 9653 1 19 . 1 1 46 46 VAL H H 46 8.560 8.560 8.699 -0.139 17818 9654 1 19 . 1 1 47 47 THR N N 47 115.600 115.600 122.563 -6.963 17818 9655 1 19 . 1 1 47 47 THR HA H 47 5.100 5.100 5.113 -0.013 17818 9656 1 19 . 1 1 47 47 THR CA C 47 61.600 61.600 62.281 -0.681 17818 9657 1 19 . 1 1 47 47 THR CB C 47 69.800 69.800 68.431 1.369 17818 9658 1 19 . 1 1 47 47 THR H H 47 8.130 8.130 8.646 -0.516 17818 9659 1 19 . 1 1 48 48 VAL N N 48 118.100 118.100 122.094 -3.994 17818 9660 1 19 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.256 0.534 17818 9661 1 19 . 1 1 48 48 VAL CA C 48 58.000 58.000 58.468 -0.467 17818 9662 1 19 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.554 -0.054 17818 9663 1 19 . 1 1 48 48 VAL H H 48 9.740 9.740 9.039 0.701 17818 9664 1 19 . 1 1 49 49 HIS N N 49 119.000 119.000 117.850 1.150 17818 9665 1 19 . 1 1 49 49 HIS HA H 49 5.810 5.810 4.786 1.024 17818 9666 1 19 . 1 1 49 49 HIS CA C 49 54.600 54.600 54.272 0.328 17818 9667 1 19 . 1 1 49 49 HIS CB C 49 35.600 35.600 33.508 2.092 17818 9668 1 19 . 1 1 49 49 HIS H H 49 8.630 8.630 8.333 0.297 17818 9669 1 19 . 1 1 50 50 TYR N N 50 116.800 116.800 122.418 -5.618 17818 9670 1 19 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.316 0.914 17818 9671 1 19 . 1 1 50 50 TYR CA C 50 56.000 56.000 55.529 0.471 17818 9672 1 19 . 1 1 50 50 TYR CB C 50 43.500 43.500 41.607 1.893 17818 9673 1 19 . 1 1 50 50 TYR H H 50 9.870 9.870 8.634 1.236 17818 9674 1 19 . 1 1 51 51 ASP N N 51 120.400 120.400 119.585 0.815 17818 9675 1 19 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.721 0.229 17818 9676 1 19 . 1 1 51 51 ASP CA C 51 54.400 54.400 52.752 1.648 17818 9677 1 19 . 1 1 51 51 ASP CB C 51 44.900 44.900 44.674 0.226 17818 9678 1 19 . 1 1 51 51 ASP H H 51 8.840 8.840 8.387 0.453 17818 9679 1 19 . 1 1 52 52 GLY N N 52 112.500 112.500 111.299 1.201 17818 9680 1 19 . 1 1 52 52 GLY CA C 52 45.300 45.300 44.134 1.166 17818 9681 1 19 . 1 1 52 52 GLY H H 52 9.130 9.130 8.201 0.929 17818 9682 1 19 . 1 1 53 53 ARG N N 53 125.200 125.200 124.642 0.558 17818 9683 1 19 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.429 0.601 17818 9684 1 19 . 1 1 53 53 ARG CA C 53 53.900 53.900 54.043 -0.143 17818 9685 1 19 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.189 0.611 17818 9686 1 19 . 1 1 53 53 ARG H H 53 9.370 9.370 8.232 1.138 17818 9687 1 19 . 1 1 54 54 PHE N N 54 119.400 119.400 122.850 -3.450 17818 9688 1 19 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.938 -0.698 17818 9689 1 19 . 1 1 54 54 PHE CA C 54 57.300 57.300 56.072 1.228 17818 9690 1 19 . 1 1 54 54 PHE CB C 54 37.700 37.700 39.035 -1.335 17818 9691 1 19 . 1 1 54 54 PHE H H 54 8.770 8.770 8.865 -0.095 17818 9692 1 19 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.339 -0.059 17818 9693 1 19 . 1 1 55 55 PRO CA C 55 65.700 65.700 64.681 1.019 17818 9694 1 19 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.506 0.294 17818 9695 1 19 . 1 1 56 56 ASP N N 56 113.600 113.600 115.951 -2.351 17818 9696 1 19 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.540 -0.070 17818 9697 1 19 . 1 1 56 56 ASP CA C 56 53.900 53.900 54.011 -0.111 17818 9698 1 19 . 1 1 56 56 ASP CB C 56 39.800 39.800 40.728 -0.928 17818 9699 1 19 . 1 1 56 56 ASP H H 56 7.780 7.780 8.283 -0.503 17818 9700 1 19 . 1 1 57 57 GLY N N 57 108.700 108.700 109.479 -0.779 17818 9701 1 19 . 1 1 57 57 GLY CA C 57 44.900 44.900 44.667 0.233 17818 9702 1 19 . 1 1 57 57 GLY H H 57 8.440 8.440 7.922 0.518 17818 9703 1 19 . 1 1 58 58 LYS N N 58 122.800 122.800 120.826 1.974 17818 9704 1 19 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.681 -0.431 17818 9705 1 19 . 1 1 58 58 LYS CA C 58 57.500 57.500 55.111 2.389 17818 9706 1 19 . 1 1 58 58 LYS CB C 58 32.600 32.600 34.457 -1.857 17818 9707 1 19 . 1 1 58 58 LYS H H 58 8.230 8.230 8.368 -0.138 17818 9708 1 19 . 1 1 59 59 GLN N N 59 125.800 125.800 119.576 6.224 17818 9709 1 19 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.611 -0.161 17818 9710 1 19 . 1 1 59 59 GLN CA C 59 56.300 56.300 55.204 1.096 17818 9711 1 19 . 1 1 59 59 GLN CB C 59 30.900 30.900 31.340 -0.440 17818 9712 1 19 . 1 1 59 59 GLN H H 59 8.810 8.810 8.368 0.442 17818 9713 1 19 . 1 1 60 60 PHE N N 60 121.200 121.200 118.723 2.477 17818 9714 1 19 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.765 0.335 17818 9715 1 19 . 1 1 60 60 PHE CA C 60 56.500 56.500 58.938 -2.438 17818 9716 1 19 . 1 1 60 60 PHE CB C 60 40.900 40.900 39.591 1.309 17818 9717 1 19 . 1 1 60 60 PHE H H 60 8.340 8.340 8.320 0.020 17818 9718 1 19 . 1 1 61 61 ASP N N 61 119.100 119.100 120.118 -1.018 17818 9719 1 19 . 1 1 61 61 ASP CA C 61 54.700 54.700 53.463 1.237 17818 9720 1 19 . 1 1 61 61 ASP CB C 61 44.200 44.200 43.580 0.620 17818 9721 1 19 . 1 1 61 61 ASP H H 61 7.030 7.030 6.896 0.134 17818 9722 1 19 . 1 1 62 62 SER N N 62 117.400 117.400 120.488 -3.088 17818 9723 1 19 . 1 1 62 62 SER CA C 62 57.000 57.000 57.682 -0.682 17818 9724 1 19 . 1 1 62 62 SER CB C 62 64.800 64.800 62.199 2.601 17818 9725 1 19 . 1 1 62 62 SER H H 62 8.100 8.100 8.660 -0.560 17818 9726 1 19 . 1 1 63 63 SER N N 63 123.600 123.600 121.471 2.129 17818 9727 1 19 . 1 1 63 63 SER HA H 63 4.200 4.200 4.478 -0.278 17818 9728 1 19 . 1 1 63 63 SER CA C 63 61.300 61.300 60.216 1.084 17818 9729 1 19 . 1 1 63 63 SER CB C 63 61.300 61.300 63.314 -2.014 17818 9730 1 19 . 1 1 63 63 SER H H 63 8.070 8.070 8.694 -0.624 17818 9731 1 19 . 1 1 64 64 ARG N N 64 124.000 124.000 121.833 2.167 17818 9732 1 19 . 1 1 64 64 ARG HA H 64 3.620 3.620 4.325 -0.705 17818 9733 1 19 . 1 1 64 64 ARG CA C 64 59.300 59.300 59.620 -0.320 17818 9734 1 19 . 1 1 64 64 ARG CB C 64 28.800 28.800 29.525 -0.725 17818 9735 1 19 . 1 1 64 64 ARG H H 64 8.810 8.810 8.498 0.312 17818 9736 1 19 . 1 1 65 65 SER N N 65 114.600 114.600 115.613 -1.013 17818 9737 1 19 . 1 1 65 65 SER HA H 65 4.190 4.190 4.369 -0.179 17818 9738 1 19 . 1 1 65 65 SER CA C 65 60.700 60.700 60.720 -0.020 17818 9739 1 19 . 1 1 65 65 SER CB C 65 62.700 62.700 62.624 0.076 17818 9740 1 19 . 1 1 65 65 SER H H 65 7.800 7.800 8.609 -0.809 17818 9741 1 19 . 1 1 66 66 ARG N N 66 118.000 118.000 119.206 -1.206 17818 9742 1 19 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.212 0.208 17818 9743 1 19 . 1 1 66 66 ARG CA C 66 57.100 57.100 55.524 1.576 17818 9744 1 19 . 1 1 66 66 ARG CB C 66 31.500 31.500 30.012 1.488 17818 9745 1 19 . 1 1 66 66 ARG H H 66 7.110 7.110 7.604 -0.494 17818 9746 1 19 . 1 1 67 67 GLY N N 67 106.700 106.700 107.752 -1.052 17818 9747 1 19 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.744 0.056 17818 9748 1 19 . 1 1 67 67 GLY H H 67 7.800 7.800 7.611 0.189 17818 9749 1 19 . 1 1 68 68 LYS N N 68 117.600 117.600 120.984 -3.384 17818 9750 1 19 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.465 0.545 17818 9751 1 19 . 1 1 68 68 LYS CA C 68 53.100 53.100 53.837 -0.737 17818 9752 1 19 . 1 1 68 68 LYS CB C 68 34.900 34.900 33.253 1.647 17818 9753 1 19 . 1 1 68 68 LYS H H 68 7.440 7.440 7.821 -0.381 17818 9754 1 19 . 1 1 69 69 PRO HA H 69 4.060 4.060 4.752 -0.692 17818 9755 1 19 . 1 1 69 69 PRO CA C 69 62.700 62.700 62.223 0.477 17818 9756 1 19 . 1 1 69 69 PRO CB C 69 32.300 32.300 31.531 0.769 17818 9757 1 19 . 1 1 70 70 PHE N N 70 123.200 123.200 127.161 -3.961 17818 9758 1 19 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.634 0.406 17818 9759 1 19 . 1 1 70 70 PHE CA C 70 57.100 57.100 57.997 -0.897 17818 9760 1 19 . 1 1 70 70 PHE CB C 70 42.900 42.900 41.361 1.539 17818 9761 1 19 . 1 1 70 70 PHE H H 70 9.180 9.180 8.824 0.356 17818 9762 1 19 . 1 1 71 71 GLN N N 71 126.000 126.000 121.353 4.647 17818 9763 1 19 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.325 0.425 17818 9764 1 19 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.152 -0.852 17818 9765 1 19 . 1 1 71 71 GLN CB C 71 32.900 32.900 31.924 0.976 17818 9766 1 19 . 1 1 71 71 GLN H H 71 8.020 8.020 7.233 0.787 17818 9767 1 19 . 1 1 72 72 PHE N N 72 116.800 116.800 119.013 -2.213 17818 9768 1 19 . 1 1 72 72 PHE HA H 72 4.700 4.700 4.915 -0.215 17818 9769 1 19 . 1 1 72 72 PHE CA C 72 55.500 55.500 56.159 -0.659 17818 9770 1 19 . 1 1 72 72 PHE CB C 72 40.900 40.900 41.867 -0.967 17818 9771 1 19 . 1 1 72 72 PHE H H 72 8.110 8.110 8.924 -0.814 17818 9772 1 19 . 1 1 73 73 THR N N 73 118.800 118.800 118.964 -0.164 17818 9773 1 19 . 1 1 73 73 THR HA H 73 3.960 3.960 4.258 -0.298 17818 9774 1 19 . 1 1 73 73 THR CA C 73 62.600 62.600 63.838 -1.238 17818 9775 1 19 . 1 1 73 73 THR CB C 73 67.500 67.500 68.519 -1.019 17818 9776 1 19 . 1 1 73 73 THR H H 73 9.080 9.080 8.790 0.290 17818 9777 1 19 . 1 1 74 74 LEU N N 74 132.500 132.500 129.309 3.191 17818 9778 1 19 . 1 1 74 74 LEU HA H 74 4.140 4.140 3.888 0.252 17818 9779 1 19 . 1 1 74 74 LEU CA C 74 56.800 56.800 56.065 0.735 17818 9780 1 19 . 1 1 74 74 LEU CB C 74 41.800 41.800 42.468 -0.668 17818 9781 1 19 . 1 1 74 74 LEU H H 74 8.220 8.220 8.231 -0.011 17818 9782 1 19 . 1 1 75 75 GLY N N 75 118.100 118.100 112.974 5.126 17818 9783 1 19 . 1 1 75 75 GLY CA C 75 46.200 46.200 45.411 0.789 17818 9784 1 19 . 1 1 75 75 GLY H H 75 9.850 9.850 9.473 0.378 17818 9785 1 19 . 1 1 76 76 ALA N N 76 120.600 120.600 124.611 -4.011 17818 9786 1 19 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.643 -0.143 17818 9787 1 19 . 1 1 76 76 ALA CA C 76 51.900 51.900 51.212 0.688 17818 9788 1 19 . 1 1 76 76 ALA CB C 76 20.200 20.200 20.098 0.102 17818 9789 1 19 . 1 1 76 76 ALA H H 76 7.550 7.550 7.766 -0.216 17818 9790 1 19 . 1 1 77 77 GLY N N 77 110.500 110.500 104.336 6.164 17818 9791 1 19 . 1 1 77 77 GLY CA C 77 46.400 46.400 44.990 1.410 17818 9792 1 19 . 1 1 77 77 GLY H H 77 8.790 8.790 8.516 0.274 17818 9793 1 19 . 1 1 78 78 GLU N N 78 119.400 119.400 119.430 -0.030 17818 9794 1 19 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.191 -0.041 17818 9795 1 19 . 1 1 78 78 GLU CA C 78 57.200 57.200 58.280 -1.080 17818 9796 1 19 . 1 1 78 78 GLU CB C 78 30.900 30.900 29.859 1.041 17818 9797 1 19 . 1 1 78 78 GLU H H 78 9.240 9.240 8.698 0.542 17818 9798 1 19 . 1 1 79 79 VAL N N 79 108.600 108.600 111.627 -3.027 17818 9799 1 19 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.518 -0.298 17818 9800 1 19 . 1 1 79 79 VAL CA C 79 57.300 57.300 59.549 -2.249 17818 9801 1 19 . 1 1 79 79 VAL CB C 79 35.400 35.400 34.703 0.697 17818 9802 1 19 . 1 1 79 79 VAL H H 79 6.760 6.760 7.221 -0.461 17818 9803 1 19 . 1 1 80 80 ILE N N 80 111.800 111.800 113.799 -1.999 17818 9804 1 19 . 1 1 80 80 ILE HA H 80 3.800 3.800 4.045 -0.245 17818 9805 1 19 . 1 1 80 80 ILE CA C 80 61.800 61.800 61.373 0.427 17818 9806 1 19 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.469 -0.469 17818 9807 1 19 . 1 1 80 80 ILE H H 80 7.300 7.300 7.892 -0.592 17818 9808 1 19 . 1 1 81 81 LYS N N 81 124.700 124.700 125.733 -1.033 17818 9809 1 19 . 1 1 81 81 LYS HA H 81 4.160 4.160 4.048 0.112 17818 9810 1 19 . 1 1 81 81 LYS CA C 81 59.700 59.700 59.159 0.541 17818 9811 1 19 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.387 1.413 17818 9812 1 19 . 1 1 81 81 LYS H H 81 8.880 8.880 8.772 0.108 17818 9813 1 19 . 1 1 82 82 GLY N N 82 101.700 101.700 108.395 -6.695 17818 9814 1 19 . 1 1 82 82 GLY CA C 82 47.300 47.300 47.107 0.193 17818 9815 1 19 . 1 1 82 82 GLY H H 82 9.580 9.580 8.009 1.571 17818 9816 1 19 . 1 1 83 83 TRP N N 83 119.300 119.300 121.490 -2.190 17818 9817 1 19 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.354 -0.344 17818 9818 1 19 . 1 1 83 83 TRP CA C 83 59.300 59.300 57.392 1.908 17818 9819 1 19 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.356 0.744 17818 9820 1 19 . 1 1 83 83 TRP H H 83 7.450 7.450 7.244 0.206 17818 9821 1 19 . 1 1 84 84 ASP N N 84 120.900 120.900 120.716 0.184 17818 9822 1 19 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.570 -0.570 17818 9823 1 19 . 1 1 84 84 ASP CA C 84 58.200 58.200 57.889 0.311 17818 9824 1 19 . 1 1 84 84 ASP CB C 84 41.000 41.000 41.020 -0.020 17818 9825 1 19 . 1 1 84 84 ASP H H 84 7.120 7.120 8.461 -1.341 17818 9826 1 19 . 1 1 85 85 GLN N N 85 114.500 114.500 118.607 -4.107 17818 9827 1 19 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.108 -0.108 17818 9828 1 19 . 1 1 85 85 GLN CA C 85 58.200 58.200 58.281 -0.081 17818 9829 1 19 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.910 -0.010 17818 9830 1 19 . 1 1 85 85 GLN H H 85 8.360 8.360 8.164 0.196 17818 9831 1 19 . 1 1 86 86 GLY N N 86 106.300 106.300 108.392 -2.092 17818 9832 1 19 . 1 1 86 86 GLY CA C 86 47.700 47.700 46.424 1.276 17818 9833 1 19 . 1 1 86 86 GLY H H 86 7.960 7.960 7.912 0.048 17818 9834 1 19 . 1 1 87 87 VAL N N 87 125.300 125.300 121.223 4.077 17818 9835 1 19 . 1 1 87 87 VAL HA H 87 3.630 3.630 3.893 -0.263 17818 9836 1 19 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.548 1.852 17818 9837 1 19 . 1 1 87 87 VAL CB C 87 30.300 30.300 32.200 -1.901 17818 9838 1 19 . 1 1 87 87 VAL H H 87 9.090 9.090 8.086 1.004 17818 9839 1 19 . 1 1 88 88 ALA N N 88 116.500 116.500 121.909 -5.409 17818 9840 1 19 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.098 -0.108 17818 9841 1 19 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.725 -0.425 17818 9842 1 19 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.354 0.246 17818 9843 1 19 . 1 1 88 88 ALA H H 88 6.750 6.750 7.916 -1.166 17818 9844 1 19 . 1 1 89 89 THR N N 89 105.500 105.500 113.670 -8.170 17818 9845 1 19 . 1 1 89 89 THR HA H 89 4.520 4.520 4.350 0.170 17818 9846 1 19 . 1 1 89 89 THR CA C 89 62.300 62.300 63.157 -0.858 17818 9847 1 19 . 1 1 89 89 THR CB C 89 71.100 71.100 68.792 2.308 17818 9848 1 19 . 1 1 89 89 THR H H 89 7.400 7.400 8.102 -0.702 17818 9849 1 19 . 1 1 90 90 MET N N 90 122.400 122.400 116.497 5.903 17818 9850 1 19 . 1 1 90 90 MET CA C 90 56.200 56.200 54.210 1.990 17818 9851 1 19 . 1 1 90 90 MET CB C 90 36.800 36.800 35.587 1.213 17818 9852 1 19 . 1 1 90 90 MET H H 90 7.550 7.550 7.474 0.076 17818 9853 1 19 . 1 1 91 91 THR N N 91 105.200 105.200 109.157 -3.957 17818 9854 1 19 . 1 1 91 91 THR HA H 91 5.120 5.120 4.665 0.455 17818 9855 1 19 . 1 1 91 91 THR CA C 91 59.800 59.800 59.524 0.276 17818 9856 1 19 . 1 1 91 91 THR CB C 91 71.900 71.900 72.100 -0.200 17818 9857 1 19 . 1 1 91 91 THR H H 91 7.350 7.350 8.199 -0.849 17818 9858 1 19 . 1 1 92 92 LEU N N 92 121.200 121.200 121.575 -0.375 17818 9859 1 19 . 1 1 92 92 LEU HA H 92 3.600 3.600 3.985 -0.385 17818 9860 1 19 . 1 1 92 92 LEU CA C 92 58.100 58.100 56.222 1.878 17818 9861 1 19 . 1 1 92 92 LEU CB C 92 43.400 43.400 42.828 0.572 17818 9862 1 19 . 1 1 92 92 LEU H H 92 8.180 8.180 7.957 0.223 17818 9863 1 19 . 1 1 93 93 GLY N N 93 115.800 115.800 111.865 3.935 17818 9864 1 19 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.327 -0.627 17818 9865 1 19 . 1 1 93 93 GLY H H 93 8.490 8.490 9.016 -0.526 17818 9866 1 19 . 1 1 94 94 GLU N N 94 123.700 123.700 120.714 2.986 17818 9867 1 19 . 1 1 94 94 GLU HA H 94 4.290 4.290 4.936 -0.646 17818 9868 1 19 . 1 1 94 94 GLU CA C 94 56.100 56.100 54.963 1.137 17818 9869 1 19 . 1 1 94 94 GLU CB C 94 33.500 33.500 33.202 0.298 17818 9870 1 19 . 1 1 94 94 GLU H H 94 8.650 8.650 7.632 1.018 17818 9871 1 19 . 1 1 95 95 LYS N N 95 124.200 124.200 124.179 0.021 17818 9872 1 19 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.243 0.317 17818 9873 1 19 . 1 1 95 95 LYS CA C 95 54.600 54.600 55.303 -0.703 17818 9874 1 19 . 1 1 95 95 LYS CB C 95 35.300 35.300 36.679 -1.379 17818 9875 1 19 . 1 1 95 95 LYS H H 95 8.950 8.950 8.785 0.165 17818 9876 1 19 . 1 1 96 96 ALA N N 96 129.100 129.100 127.743 1.357 17818 9877 1 19 . 1 1 96 96 ALA HA H 96 4.990 4.990 5.242 -0.252 17818 9878 1 19 . 1 1 96 96 ALA CA C 96 50.500 50.500 50.722 -0.223 17818 9879 1 19 . 1 1 96 96 ALA CB C 96 23.900 23.900 23.337 0.563 17818 9880 1 19 . 1 1 96 96 ALA H H 96 9.530 9.530 9.234 0.296 17818 9881 1 19 . 1 1 97 97 LEU N N 97 122.200 122.200 122.619 -0.419 17818 9882 1 19 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.727 0.453 17818 9883 1 19 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.170 -1.170 17818 9884 1 19 . 1 1 97 97 LEU CB C 97 45.800 45.800 43.094 2.706 17818 9885 1 19 . 1 1 97 97 LEU H H 97 9.100 9.100 8.769 0.331 17818 9886 1 19 . 1 1 98 98 PHE N N 98 125.800 125.800 129.669 -3.869 17818 9887 1 19 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.301 0.399 17818 9888 1 19 . 1 1 98 98 PHE CA C 98 56.500 56.500 55.978 0.522 17818 9889 1 19 . 1 1 98 98 PHE CB C 98 42.300 42.300 43.130 -0.831 17818 9890 1 19 . 1 1 98 98 PHE H H 98 9.940 9.940 9.374 0.566 17818 9891 1 19 . 1 1 99 99 THR N N 99 121.600 121.600 124.873 -3.273 17818 9892 1 19 . 1 1 99 99 THR CA C 99 63.500 63.500 63.059 0.441 17818 9893 1 19 . 1 1 99 99 THR CB C 99 68.600 68.600 69.191 -0.591 17818 9894 1 19 . 1 1 99 99 THR H H 99 9.100 9.100 8.313 0.787 17818 9895 1 19 . 1 1 100 100 ILE N N 100 127.400 127.400 128.539 -1.139 17818 9896 1 19 . 1 1 100 100 ILE CA C 100 58.700 58.700 56.593 2.107 17818 9897 1 19 . 1 1 100 100 ILE CB C 100 39.400 39.400 38.202 1.198 17818 9898 1 19 . 1 1 100 100 ILE H H 100 9.880 9.880 8.973 0.907 17818 9899 1 19 . 1 1 101 101 PRO CA C 101 62.200 62.200 62.263 -0.063 17818 9900 1 19 . 1 1 101 101 PRO CB C 101 32.500 32.500 32.162 0.338 17818 9901 1 19 . 1 1 102 102 TYR N N 102 118.100 118.100 119.728 -1.628 17818 9902 1 19 . 1 1 102 102 TYR HA H 102 4.470 4.470 4.117 0.353 17818 9903 1 19 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.220 0.880 17818 9904 1 19 . 1 1 102 102 TYR CB C 102 37.000 37.000 37.029 -0.029 17818 9905 1 19 . 1 1 102 102 TYR H H 102 8.450 8.450 8.432 0.018 17818 9906 1 19 . 1 1 103 103 GLN N N 103 123.800 123.800 116.735 7.065 17818 9907 1 19 . 1 1 103 103 GLN HA H 103 4.050 4.050 4.059 -0.009 17818 9908 1 19 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.498 2.002 17818 9909 1 19 . 1 1 103 103 GLN CB C 103 27.300 27.300 28.519 -1.219 17818 9910 1 19 . 1 1 103 103 GLN H H 103 9.080 9.080 7.754 1.326 17818 9911 1 19 . 1 1 104 104 LEU N N 104 116.800 116.800 117.392 -0.592 17818 9912 1 19 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.422 0.098 17818 9913 1 19 . 1 1 104 104 LEU CA C 104 53.100 53.100 54.040 -0.940 17818 9914 1 19 . 1 1 104 104 LEU CB C 104 43.400 43.400 41.739 1.661 17818 9915 1 19 . 1 1 104 104 LEU H H 104 7.790 7.790 7.544 0.246 17818 9916 1 19 . 1 1 105 105 ALA N N 105 125.400 125.400 120.207 5.193 17818 9917 1 19 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.307 0.163 17818 9918 1 19 . 1 1 105 105 ALA CA C 105 51.000 51.000 51.744 -0.744 17818 9919 1 19 . 1 1 105 105 ALA CB C 105 18.900 18.900 19.734 -0.834 17818 9920 1 19 . 1 1 105 105 ALA H H 105 7.780 7.780 7.101 0.679 17818 9921 1 19 . 1 1 106 106 TYR N N 106 122.000 122.000 117.280 4.720 17818 9922 1 19 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.438 0.172 17818 9923 1 19 . 1 1 106 106 TYR CA C 106 59.300 59.300 57.728 1.572 17818 9924 1 19 . 1 1 106 106 TYR CB C 106 37.400 37.400 37.921 -0.521 17818 9925 1 19 . 1 1 106 106 TYR H H 106 9.430 9.430 8.245 1.185 17818 9926 1 19 . 1 1 107 107 GLY N N 107 105.500 105.500 109.255 -3.755 17818 9927 1 19 . 1 1 107 107 GLY CA C 107 46.500 46.500 46.674 -0.174 17818 9928 1 19 . 1 1 107 107 GLY H H 107 8.490 8.490 8.249 0.241 17818 9929 1 19 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.142 -0.632 17818 9930 1 19 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.548 -0.048 17818 9931 1 19 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.742 -0.142 17818 9932 1 19 . 1 1 109 109 ARG N N 109 115.900 115.900 117.012 -1.112 17818 9933 1 19 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.327 -0.147 17818 9934 1 19 . 1 1 109 109 ARG CA C 109 57.400 57.400 56.052 1.348 17818 9935 1 19 . 1 1 109 109 ARG CB C 109 30.700 30.700 31.427 -0.727 17818 9936 1 19 . 1 1 109 109 ARG H H 109 8.840 8.840 7.919 0.921 17818 9937 1 19 . 1 1 110 110 GLY N N 110 130.700 130.700 109.693 21.007 17818 9938 1 19 . 1 1 110 110 GLY CA C 110 44.800 44.800 45.304 -0.504 17818 9939 1 19 . 1 1 110 110 GLY H H 110 7.140 7.140 8.214 -1.074 17818 9940 1 19 . 1 1 111 111 TYR N N 111 119.700 119.700 120.360 -0.660 17818 9941 1 19 . 1 1 111 111 TYR CA C 111 54.500 54.500 59.056 -4.556 17818 9942 1 19 . 1 1 111 111 TYR CB C 111 38.600 38.600 38.556 0.044 17818 9943 1 19 . 1 1 111 111 TYR H H 111 8.570 8.570 8.611 -0.041 17818 9944 1 19 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.300 -0.500 17818 9945 1 19 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.838 2.462 17818 9946 1 19 . 1 1 114 114 VAL N N 114 122.900 122.900 115.478 7.422 17818 9947 1 19 . 1 1 114 114 VAL HA H 114 3.850 3.850 3.943 -0.093 17818 9948 1 19 . 1 1 114 114 VAL CA C 114 65.600 65.600 63.342 2.258 17818 9949 1 19 . 1 1 114 114 VAL CB C 114 33.000 33.000 31.902 1.098 17818 9950 1 19 . 1 1 114 114 VAL H H 114 7.870 7.870 7.647 0.223 17818 9951 1 19 . 1 1 115 115 ILE N N 115 118.100 118.100 121.162 -3.062 17818 9952 1 19 . 1 1 115 115 ILE CA C 115 56.300 56.300 57.025 -0.725 17818 9953 1 19 . 1 1 115 115 ILE CB C 115 37.700 37.700 37.165 0.535 17818 9954 1 19 . 1 1 115 115 ILE H H 115 7.550 7.550 7.807 -0.257 17818 9955 1 19 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.337 -0.717 17818 9956 1 19 . 1 1 117 117 PRO CA C 117 63.400 63.400 63.236 0.164 17818 9957 1 19 . 1 1 117 117 PRO CB C 117 32.800 32.800 31.759 1.040 17818 9958 1 19 . 1 1 118 118 LYS N N 118 115.100 115.100 116.242 -1.142 17818 9959 1 19 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.570 -0.990 17818 9960 1 19 . 1 1 118 118 LYS CA C 118 57.900 57.900 57.060 0.840 17818 9961 1 19 . 1 1 118 118 LYS CB C 118 29.700 29.700 30.259 -0.559 17818 9962 1 19 . 1 1 118 118 LYS H H 118 7.330 7.330 8.360 -1.030 17818 9963 1 19 . 1 1 119 119 ALA N N 119 121.900 121.900 121.894 0.006 17818 9964 1 19 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.445 0.005 17818 9965 1 19 . 1 1 119 119 ALA CA C 119 52.700 52.700 51.694 1.006 17818 9966 1 19 . 1 1 119 119 ALA CB C 119 20.100 20.100 20.278 -0.178 17818 9967 1 19 . 1 1 119 119 ALA H H 119 7.900 7.900 7.964 -0.064 17818 9968 1 19 . 1 1 120 120 THR N N 120 121.800 121.800 121.768 0.032 17818 9969 1 19 . 1 1 120 120 THR CA C 120 63.100 63.100 63.511 -0.411 17818 9970 1 19 . 1 1 120 120 THR CB C 120 69.800 69.800 68.726 1.074 17818 9971 1 19 . 1 1 120 120 THR H H 120 8.170 8.170 8.587 -0.417 17818 9972 1 19 . 1 1 121 121 LEU N N 121 124.200 124.200 127.000 -2.800 17818 9973 1 19 . 1 1 121 121 LEU CA C 121 53.100 53.100 53.023 0.077 17818 9974 1 19 . 1 1 121 121 LEU CB C 121 46.300 46.300 44.852 1.448 17818 9975 1 19 . 1 1 121 121 LEU H H 121 8.640 8.640 8.794 -0.154 17818 9976 1 19 . 1 1 122 122 VAL N N 122 122.200 122.200 118.270 3.930 17818 9977 1 19 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.614 0.676 17818 9978 1 19 . 1 1 122 122 VAL CA C 122 60.700 60.700 61.198 -0.498 17818 9979 1 19 . 1 1 122 122 VAL CB C 122 33.300 33.300 34.837 -1.537 17818 9980 1 19 . 1 1 122 122 VAL H H 122 8.860 8.860 8.616 0.244 17818 9981 1 19 . 1 1 123 123 PHE N N 123 122.900 122.900 124.428 -1.528 17818 9982 1 19 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.423 -0.023 17818 9983 1 19 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.188 -0.788 17818 9984 1 19 . 1 1 123 123 PHE CB C 123 44.000 44.000 43.067 0.933 17818 9985 1 19 . 1 1 123 123 PHE H H 123 9.620 9.620 9.624 -0.004 17818 9986 1 19 . 1 1 124 124 GLU N N 124 125.500 125.500 126.012 -0.512 17818 9987 1 19 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.630 1.270 17818 9988 1 19 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.267 -0.667 17818 9989 1 19 . 1 1 124 124 GLU CB C 124 31.800 31.800 30.357 1.443 17818 9990 1 19 . 1 1 124 124 GLU H H 124 9.180 9.180 8.754 0.426 17818 9991 1 19 . 1 1 125 125 VAL N N 125 128.100 128.100 122.312 5.788 17818 9992 1 19 . 1 1 125 125 VAL CA C 125 61.300 61.300 59.860 1.440 17818 9993 1 19 . 1 1 125 125 VAL CB C 125 35.800 35.800 34.800 1.000 17818 9994 1 19 . 1 1 125 125 VAL H H 125 9.600 9.600 9.058 0.542 17818 9995 1 19 . 1 1 126 126 GLU N N 126 128.500 128.500 125.353 3.147 17818 9996 1 19 . 1 1 126 126 GLU HA H 126 5.630 5.630 5.110 0.520 17818 9997 1 19 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.801 -1.301 17818 9998 1 19 . 1 1 126 126 GLU CB C 126 34.000 34.000 34.391 -0.391 17818 9999 1 19 . 1 1 126 126 GLU H H 126 9.420 9.420 8.811 0.609 17818 10000 1 19 . 1 1 127 127 LEU N N 127 127.900 127.900 128.483 -0.583 17818 10001 1 19 . 1 1 127 127 LEU CA C 127 55.100 55.100 53.694 1.406 17818 10002 1 19 . 1 1 127 127 LEU CB C 127 41.400 41.400 42.146 -0.746 17818 10003 1 19 . 1 1 127 127 LEU H H 127 8.720 8.720 8.928 -0.208 17818 10004 1 19 . 1 1 128 128 LEU N N 128 128.700 128.700 128.293 0.407 17818 10005 1 19 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.392 0.008 17818 10006 1 19 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.852 0.048 17818 10007 1 19 . 1 1 128 128 LEU CB C 128 43.700 43.700 41.909 1.791 17818 10008 1 19 . 1 1 128 128 LEU H H 128 8.690 8.690 8.915 -0.225 17818 10009 1 19 . 1 1 129 129 ALA N N 129 118.600 118.600 117.395 1.205 17818 10010 1 19 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.655 -0.195 17818 10011 1 19 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.384 1.416 17818 10012 1 19 . 1 1 129 129 ALA CB C 129 21.100 21.100 22.603 -1.503 17818 10013 1 19 . 1 1 129 129 ALA H H 129 7.810 7.810 7.797 0.013 17818 10014 1 20 . 1 1 8 8 HIS CA C 8 54.700 54.700 55.262 -0.562 17818 10015 1 20 . 1 1 8 8 HIS CB C 8 31.200 31.200 31.869 -0.669 17818 10016 1 20 . 1 1 9 9 MET N N 9 120.000 120.000 121.365 -1.365 17818 10017 1 20 . 1 1 9 9 MET HA H 9 4.280 4.280 4.857 -0.577 17818 10018 1 20 . 1 1 9 9 MET CA C 9 55.500 55.500 55.124 0.376 17818 10019 1 20 . 1 1 9 9 MET CB C 9 32.500 32.500 36.272 -3.772 17818 10020 1 20 . 1 1 9 9 MET H H 9 8.110 8.110 8.162 -0.052 17818 10021 1 20 . 1 1 10 10 GLY N N 10 109.800 109.800 107.033 2.767 17818 10022 1 20 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.660 -0.360 17818 10023 1 20 . 1 1 10 10 GLY H H 10 8.440 8.440 8.429 0.011 17818 10024 1 20 . 1 1 11 11 THR N N 11 113.600 113.600 116.665 -3.065 17818 10025 1 20 . 1 1 11 11 THR HA H 11 4.330 4.330 4.278 0.052 17818 10026 1 20 . 1 1 11 11 THR CA C 11 62.000 62.000 62.647 -0.647 17818 10027 1 20 . 1 1 11 11 THR CB C 11 69.900 69.900 67.597 2.303 17818 10028 1 20 . 1 1 11 11 THR H H 11 8.070 8.070 8.287 -0.217 17818 10029 1 20 . 1 1 12 12 LEU N N 12 124.200 124.200 120.951 3.249 17818 10030 1 20 . 1 1 12 12 LEU HA H 12 4.320 4.320 3.909 0.411 17818 10031 1 20 . 1 1 12 12 LEU CA C 12 55.500 55.500 55.582 -0.082 17818 10032 1 20 . 1 1 12 12 LEU CB C 12 42.100 42.100 40.051 2.049 17818 10033 1 20 . 1 1 12 12 LEU H H 12 8.380 8.380 8.278 0.102 17818 10034 1 20 . 1 1 13 13 GLU N N 13 121.600 121.600 117.945 3.655 17818 10035 1 20 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.367 -0.167 17818 10036 1 20 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.163 0.737 17818 10037 1 20 . 1 1 13 13 GLU CB C 13 30.000 30.000 29.811 0.188 17818 10038 1 20 . 1 1 13 13 GLU H H 13 8.430 8.430 8.277 0.153 17818 10039 1 20 . 1 1 14 14 ALA N N 14 124.400 124.400 122.466 1.934 17818 10040 1 20 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.441 -0.171 17818 10041 1 20 . 1 1 14 14 ALA CA C 14 52.700 52.700 51.953 0.747 17818 10042 1 20 . 1 1 14 14 ALA CB C 14 19.100 19.100 18.423 0.677 17818 10043 1 20 . 1 1 14 14 ALA H H 14 8.290 8.290 7.772 0.518 17818 10044 1 20 . 1 1 15 15 GLN N N 15 119.100 119.100 118.549 0.551 17818 10045 1 20 . 1 1 15 15 GLN HA H 15 4.390 4.390 3.977 0.413 17818 10046 1 20 . 1 1 15 15 GLN CA C 15 56.000 56.000 57.285 -1.286 17818 10047 1 20 . 1 1 15 15 GLN CB C 15 29.400 29.400 26.450 2.950 17818 10048 1 20 . 1 1 15 15 GLN H H 15 8.370 8.370 8.737 -0.367 17818 10049 1 20 . 1 1 16 16 THR N N 16 114.900 114.900 111.177 3.723 17818 10050 1 20 . 1 1 16 16 THR CA C 16 62.100 62.100 62.436 -0.336 17818 10051 1 20 . 1 1 16 16 THR CB C 16 69.800 69.800 67.342 2.458 17818 10052 1 20 . 1 1 16 16 THR H H 16 8.200 8.200 8.055 0.145 17818 10053 1 20 . 1 1 17 17 GLN N N 17 122.200 122.200 124.126 -1.926 17818 10054 1 20 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.501 -0.071 17818 10055 1 20 . 1 1 17 17 GLN CA C 17 55.600 55.600 55.443 0.157 17818 10056 1 20 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.601 0.099 17818 10057 1 20 . 1 1 17 17 GLN H H 17 8.420 8.420 8.082 0.338 17818 10058 1 20 . 1 1 18 18 GLY N N 18 110.100 110.100 109.405 0.695 17818 10059 1 20 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.406 0.194 17818 10060 1 20 . 1 1 18 18 GLY H H 18 8.360 8.360 8.166 0.194 17818 10061 1 20 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.519 -0.079 17818 10062 1 20 . 1 1 19 19 PRO CA C 19 63.600 63.600 62.851 0.749 17818 10063 1 20 . 1 1 19 19 PRO CB C 19 32.000 32.000 32.103 -0.103 17818 10064 1 20 . 1 1 20 20 GLY N N 20 109.400 109.400 113.458 -4.058 17818 10065 1 20 . 1 1 20 20 GLY CA C 20 45.300 45.300 44.666 0.634 17818 10066 1 20 . 1 1 20 20 GLY H H 20 8.630 8.630 8.297 0.333 17818 10067 1 20 . 1 1 21 21 SER N N 21 115.400 115.400 119.710 -4.310 17818 10068 1 20 . 1 1 21 21 SER CA C 21 63.800 63.800 58.956 4.844 17818 10069 1 20 . 1 1 21 21 SER CB C 21 69.800 69.800 62.124 7.676 17818 10070 1 20 . 1 1 21 21 SER H H 21 4.180 4.180 8.477 -4.297 17818 10071 1 20 . 1 1 22 22 MET N N 22 121.900 121.900 122.554 -0.654 17818 10072 1 20 . 1 1 22 22 MET CA C 22 55.500 55.500 55.730 -0.230 17818 10073 1 20 . 1 1 22 22 MET CB C 22 32.800 32.800 34.583 -1.783 17818 10074 1 20 . 1 1 22 22 MET H H 22 8.440 8.440 8.422 0.018 17818 10075 1 20 . 1 1 23 23 SER N N 23 116.600 116.600 113.584 3.016 17818 10076 1 20 . 1 1 23 23 SER HA H 23 4.400 4.400 4.731 -0.331 17818 10077 1 20 . 1 1 23 23 SER CA C 23 58.300 58.300 58.103 0.197 17818 10078 1 20 . 1 1 23 23 SER CB C 23 63.700 63.700 64.617 -0.917 17818 10079 1 20 . 1 1 23 23 SER H H 23 8.290 8.290 7.925 0.365 17818 10080 1 20 . 1 1 24 24 ALA N N 24 125.700 125.700 123.995 1.705 17818 10081 1 20 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.670 -0.380 17818 10082 1 20 . 1 1 24 24 ALA CA C 24 52.100 52.100 51.109 0.991 17818 10083 1 20 . 1 1 24 24 ALA CB C 24 19.300 19.300 19.222 0.078 17818 10084 1 20 . 1 1 24 24 ALA H H 24 8.200 8.200 8.342 -0.142 17818 10085 1 20 . 1 1 25 25 GLN N N 25 118.300 118.300 122.981 -4.681 17818 10086 1 20 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.521 -0.011 17818 10087 1 20 . 1 1 25 25 GLN CA C 25 54.200 54.200 54.952 -0.752 17818 10088 1 20 . 1 1 25 25 GLN CB C 25 31.300 31.300 30.016 1.284 17818 10089 1 20 . 1 1 25 25 GLN H H 25 8.280 8.280 8.518 -0.238 17818 10090 1 20 . 1 1 26 26 LEU N N 26 122.100 122.100 126.602 -4.502 17818 10091 1 20 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.842 -0.382 17818 10092 1 20 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.213 1.087 17818 10093 1 20 . 1 1 26 26 LEU CB C 26 43.500 43.500 43.353 0.147 17818 10094 1 20 . 1 1 26 26 LEU H H 26 8.480 8.480 8.550 -0.070 17818 10095 1 20 . 1 1 27 27 GLU N N 27 125.300 125.300 125.775 -0.475 17818 10096 1 20 . 1 1 27 27 GLU CA C 27 55.300 55.300 55.434 -0.134 17818 10097 1 20 . 1 1 27 27 GLU CB C 27 32.400 32.400 33.273 -0.873 17818 10098 1 20 . 1 1 27 27 GLU H H 27 8.240 8.240 8.133 0.107 17818 10099 1 20 . 1 1 28 28 LYS N N 28 125.000 125.000 123.748 1.252 17818 10100 1 20 . 1 1 28 28 LYS HA H 28 4.610 4.610 5.160 -0.550 17818 10101 1 20 . 1 1 28 28 LYS CA C 28 54.500 54.500 54.206 0.294 17818 10102 1 20 . 1 1 28 28 LYS CB C 28 35.700 35.700 34.360 1.340 17818 10103 1 20 . 1 1 28 28 LYS H H 28 8.810 8.810 8.307 0.503 17818 10104 1 20 . 1 1 29 29 LYS N N 29 128.100 128.100 125.865 2.235 17818 10105 1 20 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.550 0.480 17818 10106 1 20 . 1 1 29 29 LYS CA C 29 55.000 55.000 54.815 0.185 17818 10107 1 20 . 1 1 29 29 LYS CB C 29 36.200 36.200 34.706 1.494 17818 10108 1 20 . 1 1 29 29 LYS H H 29 8.850 8.850 8.567 0.283 17818 10109 1 20 . 1 1 30 30 VAL N N 30 127.200 127.200 128.450 -1.250 17818 10110 1 20 . 1 1 30 30 VAL HA H 30 3.660 3.660 3.995 -0.335 17818 10111 1 20 . 1 1 30 30 VAL CA C 30 64.800 64.800 64.037 0.763 17818 10112 1 20 . 1 1 30 30 VAL CB C 30 31.600 31.600 31.337 0.264 17818 10113 1 20 . 1 1 30 30 VAL H H 30 9.170 9.170 8.914 0.256 17818 10114 1 20 . 1 1 31 31 LEU N N 31 129.800 129.800 129.182 0.618 17818 10115 1 20 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.520 -0.080 17818 10116 1 20 . 1 1 31 31 LEU CA C 31 56.000 56.000 55.633 0.367 17818 10117 1 20 . 1 1 31 31 LEU CB C 31 41.800 41.800 43.587 -1.786 17818 10118 1 20 . 1 1 31 31 LEU H H 31 9.020 9.020 8.581 0.439 17818 10119 1 20 . 1 1 32 32 THR N N 32 115.700 115.700 116.509 -0.809 17818 10120 1 20 . 1 1 32 32 THR CA C 32 59.300 59.300 60.391 -1.091 17818 10121 1 20 . 1 1 32 32 THR CB C 32 72.500 72.500 70.402 2.098 17818 10122 1 20 . 1 1 32 32 THR H H 32 8.220 8.220 8.111 0.109 17818 10123 1 20 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.670 -0.380 17818 10124 1 20 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.384 0.616 17818 10125 1 20 . 1 1 33 33 PRO CB C 33 32.400 32.400 32.061 0.339 17818 10126 1 20 . 1 1 34 34 GLY N N 34 109.400 109.400 112.556 -3.156 17818 10127 1 20 . 1 1 34 34 GLY CA C 34 44.200 44.200 44.200 0.000 17818 10128 1 20 . 1 1 34 34 GLY H H 34 9.010 9.010 8.381 0.629 17818 10129 1 20 . 1 1 35 35 ASP N N 35 119.400 119.400 119.990 -0.590 17818 10130 1 20 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.518 -0.188 17818 10131 1 20 . 1 1 35 35 ASP CA C 35 54.700 54.700 54.893 -0.193 17818 10132 1 20 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.177 -1.777 17818 10133 1 20 . 1 1 35 35 ASP H H 35 8.370 8.370 8.147 0.223 17818 10134 1 20 . 1 1 36 36 GLY N N 36 107.900 107.900 108.755 -0.855 17818 10135 1 20 . 1 1 36 36 GLY CA C 36 46.000 46.000 46.415 -0.415 17818 10136 1 20 . 1 1 36 36 GLY H H 36 8.750 8.750 8.734 0.016 17818 10137 1 20 . 1 1 37 37 VAL N N 37 116.200 116.200 116.742 -0.542 17818 10138 1 20 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.271 0.229 17818 10139 1 20 . 1 1 37 37 VAL CA C 37 62.500 62.500 62.541 -0.041 17818 10140 1 20 . 1 1 37 37 VAL CB C 37 35.900 35.900 31.877 4.023 17818 10141 1 20 . 1 1 37 37 VAL H H 37 8.590 8.590 7.927 0.663 17818 10142 1 20 . 1 1 38 38 THR N N 38 126.400 126.400 115.141 11.259 17818 10143 1 20 . 1 1 38 38 THR HA H 38 4.210 4.210 4.410 -0.200 17818 10144 1 20 . 1 1 38 38 THR CA C 38 63.300 63.300 62.165 1.135 17818 10145 1 20 . 1 1 38 38 THR CB C 38 65.800 65.800 69.811 -4.011 17818 10146 1 20 . 1 1 38 38 THR H H 38 10.650 10.650 7.680 2.970 17818 10147 1 20 . 1 1 39 39 LYS N N 39 127.000 127.000 123.048 3.952 17818 10148 1 20 . 1 1 39 39 LYS CA C 39 53.400 53.400 53.402 -0.002 17818 10149 1 20 . 1 1 39 39 LYS CB C 39 33.200 33.200 31.815 1.385 17818 10150 1 20 . 1 1 39 39 LYS H H 39 8.390 8.390 8.304 0.086 17818 10151 1 20 . 1 1 40 40 PRO CA C 40 62.200 62.200 63.175 -0.975 17818 10152 1 20 . 1 1 40 40 PRO CB C 40 33.300 33.300 32.173 1.127 17818 10153 1 20 . 1 1 41 41 GLN N N 41 120.900 120.900 120.696 0.204 17818 10154 1 20 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.530 -0.070 17818 10155 1 20 . 1 1 41 41 GLN CA C 41 53.700 53.700 54.356 -0.656 17818 10156 1 20 . 1 1 41 41 GLN CB C 41 31.500 31.500 31.481 0.019 17818 10157 1 20 . 1 1 41 41 GLN H H 41 8.750 8.750 8.252 0.498 17818 10158 1 20 . 1 1 42 42 ALA N N 42 125.700 125.700 123.851 1.849 17818 10159 1 20 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.256 -0.476 17818 10160 1 20 . 1 1 42 42 ALA CA C 42 53.400 53.400 52.132 1.268 17818 10161 1 20 . 1 1 42 42 ALA CB C 42 17.800 17.800 19.114 -1.314 17818 10162 1 20 . 1 1 42 42 ALA H H 42 8.550 8.550 8.444 0.106 17818 10163 1 20 . 1 1 43 43 GLY N N 43 109.700 109.700 106.864 2.836 17818 10164 1 20 . 1 1 43 43 GLY CA C 43 45.200 45.200 45.031 0.169 17818 10165 1 20 . 1 1 43 43 GLY H H 43 8.970 8.970 8.739 0.231 17818 10166 1 20 . 1 1 44 44 LYS N N 44 120.300 120.300 120.325 -0.025 17818 10167 1 20 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.538 0.132 17818 10168 1 20 . 1 1 44 44 LYS CA C 44 53.800 53.800 54.643 -0.843 17818 10169 1 20 . 1 1 44 44 LYS CB C 44 34.100 34.100 34.829 -0.729 17818 10170 1 20 . 1 1 44 44 LYS H H 44 7.920 7.920 7.735 0.185 17818 10171 1 20 . 1 1 45 45 LYS N N 45 120.800 120.800 124.313 -3.513 17818 10172 1 20 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.369 0.151 17818 10173 1 20 . 1 1 45 45 LYS CA C 45 56.300 56.300 55.989 0.311 17818 10174 1 20 . 1 1 45 45 LYS CB C 45 32.900 32.900 31.564 1.337 17818 10175 1 20 . 1 1 45 45 LYS H H 45 8.340 8.340 8.531 -0.191 17818 10176 1 20 . 1 1 46 46 VAL N N 46 117.600 117.600 123.768 -6.168 17818 10177 1 20 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.456 0.104 17818 10178 1 20 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.111 -0.211 17818 10179 1 20 . 1 1 46 46 VAL CB C 46 33.900 33.900 33.915 -0.015 17818 10180 1 20 . 1 1 46 46 VAL H H 46 8.560 8.560 8.824 -0.264 17818 10181 1 20 . 1 1 47 47 THR N N 47 115.600 115.600 121.405 -5.805 17818 10182 1 20 . 1 1 47 47 THR HA H 47 5.100 5.100 4.915 0.185 17818 10183 1 20 . 1 1 47 47 THR CA C 47 61.600 61.600 62.946 -1.346 17818 10184 1 20 . 1 1 47 47 THR CB C 47 69.800 69.800 68.333 1.467 17818 10185 1 20 . 1 1 47 47 THR H H 47 8.130 8.130 8.454 -0.324 17818 10186 1 20 . 1 1 48 48 VAL N N 48 118.100 118.100 122.147 -4.047 17818 10187 1 20 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.194 0.596 17818 10188 1 20 . 1 1 48 48 VAL CA C 48 58.000 58.000 59.003 -1.003 17818 10189 1 20 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.677 -0.177 17818 10190 1 20 . 1 1 48 48 VAL H H 48 9.740 9.740 9.000 0.740 17818 10191 1 20 . 1 1 49 49 HIS N N 49 119.000 119.000 118.417 0.583 17818 10192 1 20 . 1 1 49 49 HIS HA H 49 5.810 5.810 5.237 0.573 17818 10193 1 20 . 1 1 49 49 HIS CA C 49 54.600 54.600 55.395 -0.795 17818 10194 1 20 . 1 1 49 49 HIS CB C 49 35.600 35.600 34.118 1.482 17818 10195 1 20 . 1 1 49 49 HIS H H 49 8.630 8.630 9.097 -0.467 17818 10196 1 20 . 1 1 50 50 TYR N N 50 116.800 116.800 118.470 -1.670 17818 10197 1 20 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.840 0.390 17818 10198 1 20 . 1 1 50 50 TYR CA C 50 56.000 56.000 55.523 0.478 17818 10199 1 20 . 1 1 50 50 TYR CB C 50 43.500 43.500 40.977 2.523 17818 10200 1 20 . 1 1 50 50 TYR H H 50 9.870 9.870 7.982 1.888 17818 10201 1 20 . 1 1 51 51 ASP N N 51 120.400 120.400 120.254 0.146 17818 10202 1 20 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.930 0.020 17818 10203 1 20 . 1 1 51 51 ASP CA C 51 54.400 54.400 53.649 0.751 17818 10204 1 20 . 1 1 51 51 ASP CB C 51 44.900 44.900 45.820 -0.920 17818 10205 1 20 . 1 1 51 51 ASP H H 51 8.840 8.840 8.549 0.291 17818 10206 1 20 . 1 1 52 52 GLY N N 52 112.500 112.500 108.750 3.750 17818 10207 1 20 . 1 1 52 52 GLY CA C 52 45.300 45.300 44.218 1.082 17818 10208 1 20 . 1 1 52 52 GLY H H 52 9.130 9.130 8.741 0.389 17818 10209 1 20 . 1 1 53 53 ARG N N 53 125.200 125.200 124.103 1.097 17818 10210 1 20 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.839 0.191 17818 10211 1 20 . 1 1 53 53 ARG CA C 53 53.900 53.900 54.637 -0.737 17818 10212 1 20 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.527 0.273 17818 10213 1 20 . 1 1 53 53 ARG H H 53 9.370 9.370 8.704 0.666 17818 10214 1 20 . 1 1 54 54 PHE N N 54 119.400 119.400 124.452 -5.052 17818 10215 1 20 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.842 -0.602 17818 10216 1 20 . 1 1 54 54 PHE CA C 54 57.300 57.300 56.712 0.588 17818 10217 1 20 . 1 1 54 54 PHE CB C 54 37.700 37.700 38.708 -1.008 17818 10218 1 20 . 1 1 54 54 PHE H H 54 8.770 8.770 8.999 -0.229 17818 10219 1 20 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.256 0.024 17818 10220 1 20 . 1 1 55 55 PRO CA C 55 65.700 65.700 65.029 0.671 17818 10221 1 20 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.719 0.081 17818 10222 1 20 . 1 1 56 56 ASP N N 56 113.600 113.600 117.310 -3.710 17818 10223 1 20 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.508 -0.038 17818 10224 1 20 . 1 1 56 56 ASP CA C 56 53.900 53.900 55.379 -1.478 17818 10225 1 20 . 1 1 56 56 ASP CB C 56 39.800 39.800 40.787 -0.987 17818 10226 1 20 . 1 1 56 56 ASP H H 56 7.780 7.780 8.259 -0.479 17818 10227 1 20 . 1 1 57 57 GLY N N 57 108.700 108.700 106.053 2.647 17818 10228 1 20 . 1 1 57 57 GLY CA C 57 44.900 44.900 44.633 0.267 17818 10229 1 20 . 1 1 57 57 GLY H H 57 8.440 8.440 7.897 0.543 17818 10230 1 20 . 1 1 58 58 LYS N N 58 122.800 122.800 121.684 1.116 17818 10231 1 20 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.580 -0.330 17818 10232 1 20 . 1 1 58 58 LYS CA C 58 57.500 57.500 55.746 1.754 17818 10233 1 20 . 1 1 58 58 LYS CB C 58 32.600 32.600 33.467 -0.867 17818 10234 1 20 . 1 1 58 58 LYS H H 58 8.230 8.230 8.164 0.066 17818 10235 1 20 . 1 1 59 59 GLN N N 59 125.800 125.800 122.625 3.175 17818 10236 1 20 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.479 -0.029 17818 10237 1 20 . 1 1 59 59 GLN CA C 59 56.300 56.300 56.281 0.019 17818 10238 1 20 . 1 1 59 59 GLN CB C 59 30.900 30.900 29.726 1.174 17818 10239 1 20 . 1 1 59 59 GLN H H 59 8.810 8.810 8.698 0.112 17818 10240 1 20 . 1 1 60 60 PHE N N 60 121.200 121.200 123.018 -1.818 17818 10241 1 20 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.547 0.553 17818 10242 1 20 . 1 1 60 60 PHE CA C 60 56.500 56.500 60.494 -3.994 17818 10243 1 20 . 1 1 60 60 PHE CB C 60 40.900 40.900 40.567 0.333 17818 10244 1 20 . 1 1 60 60 PHE H H 60 8.340 8.340 8.635 -0.295 17818 10245 1 20 . 1 1 61 61 ASP N N 61 119.100 119.100 115.468 3.632 17818 10246 1 20 . 1 1 61 61 ASP CA C 61 54.700 54.700 54.048 0.652 17818 10247 1 20 . 1 1 61 61 ASP CB C 61 44.200 44.200 43.087 1.113 17818 10248 1 20 . 1 1 61 61 ASP H H 61 7.030 7.030 8.154 -1.124 17818 10249 1 20 . 1 1 62 62 SER N N 62 117.400 117.400 121.285 -3.885 17818 10250 1 20 . 1 1 62 62 SER CA C 62 57.000 57.000 57.478 -0.478 17818 10251 1 20 . 1 1 62 62 SER CB C 62 64.800 64.800 63.424 1.376 17818 10252 1 20 . 1 1 62 62 SER H H 62 8.100 8.100 8.619 -0.519 17818 10253 1 20 . 1 1 63 63 SER N N 63 123.600 123.600 125.663 -2.063 17818 10254 1 20 . 1 1 63 63 SER HA H 63 4.200 4.200 4.331 -0.131 17818 10255 1 20 . 1 1 63 63 SER CA C 63 61.300 61.300 61.261 0.039 17818 10256 1 20 . 1 1 63 63 SER CB C 63 61.300 61.300 63.427 -2.127 17818 10257 1 20 . 1 1 63 63 SER H H 63 8.070 8.070 8.790 -0.720 17818 10258 1 20 . 1 1 64 64 ARG N N 64 124.000 124.000 120.352 3.648 17818 10259 1 20 . 1 1 64 64 ARG HA H 64 3.620 3.620 3.839 -0.219 17818 10260 1 20 . 1 1 64 64 ARG CA C 64 59.300 59.300 58.802 0.498 17818 10261 1 20 . 1 1 64 64 ARG CB C 64 28.800 28.800 29.140 -0.341 17818 10262 1 20 . 1 1 64 64 ARG H H 64 8.810 8.810 8.439 0.371 17818 10263 1 20 . 1 1 65 65 SER N N 65 114.600 114.600 113.830 0.770 17818 10264 1 20 . 1 1 65 65 SER HA H 65 4.190 4.190 4.277 -0.087 17818 10265 1 20 . 1 1 65 65 SER CA C 65 60.700 60.700 59.836 0.864 17818 10266 1 20 . 1 1 65 65 SER CB C 65 62.700 62.700 62.969 -0.269 17818 10267 1 20 . 1 1 65 65 SER H H 65 7.800 7.800 7.709 0.091 17818 10268 1 20 . 1 1 66 66 ARG N N 66 118.000 118.000 119.424 -1.424 17818 10269 1 20 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.230 0.190 17818 10270 1 20 . 1 1 66 66 ARG CA C 66 57.100 57.100 56.612 0.488 17818 10271 1 20 . 1 1 66 66 ARG CB C 66 31.500 31.500 30.686 0.815 17818 10272 1 20 . 1 1 66 66 ARG H H 66 7.110 7.110 7.382 -0.272 17818 10273 1 20 . 1 1 67 67 GLY N N 67 106.700 106.700 107.745 -1.045 17818 10274 1 20 . 1 1 67 67 GLY CA C 67 45.800 45.800 44.866 0.934 17818 10275 1 20 . 1 1 67 67 GLY H H 67 7.800 7.800 7.502 0.298 17818 10276 1 20 . 1 1 68 68 LYS N N 68 117.600 117.600 120.122 -2.522 17818 10277 1 20 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.651 0.359 17818 10278 1 20 . 1 1 68 68 LYS CA C 68 53.100 53.100 53.121 -0.021 17818 10279 1 20 . 1 1 68 68 LYS CB C 68 34.900 34.900 34.799 0.101 17818 10280 1 20 . 1 1 68 68 LYS H H 68 7.440 7.440 7.348 0.092 17818 10281 1 20 . 1 1 69 69 PRO HA H 69 4.060 4.060 4.453 -0.393 17818 10282 1 20 . 1 1 69 69 PRO CA C 69 62.700 62.700 61.809 0.891 17818 10283 1 20 . 1 1 69 69 PRO CB C 69 32.300 32.300 32.646 -0.346 17818 10284 1 20 . 1 1 70 70 PHE N N 70 123.200 123.200 116.931 6.269 17818 10285 1 20 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.942 0.098 17818 10286 1 20 . 1 1 70 70 PHE CA C 70 57.100 57.100 57.080 0.020 17818 10287 1 20 . 1 1 70 70 PHE CB C 70 42.900 42.900 43.614 -0.714 17818 10288 1 20 . 1 1 70 70 PHE H H 70 9.180 9.180 8.843 0.337 17818 10289 1 20 . 1 1 71 71 GLN N N 71 126.000 126.000 121.110 4.890 17818 10290 1 20 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.393 0.357 17818 10291 1 20 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.680 -1.380 17818 10292 1 20 . 1 1 71 71 GLN CB C 71 32.900 32.900 31.759 1.141 17818 10293 1 20 . 1 1 71 71 GLN H H 71 8.020 8.020 8.623 -0.603 17818 10294 1 20 . 1 1 72 72 PHE N N 72 116.800 116.800 118.852 -2.052 17818 10295 1 20 . 1 1 72 72 PHE HA H 72 4.700 4.700 5.045 -0.345 17818 10296 1 20 . 1 1 72 72 PHE CA C 72 55.500 55.500 56.047 -0.547 17818 10297 1 20 . 1 1 72 72 PHE CB C 72 40.900 40.900 41.438 -0.538 17818 10298 1 20 . 1 1 72 72 PHE H H 72 8.110 8.110 8.907 -0.797 17818 10299 1 20 . 1 1 73 73 THR N N 73 118.800 118.800 117.931 0.869 17818 10300 1 20 . 1 1 73 73 THR HA H 73 3.960 3.960 4.684 -0.724 17818 10301 1 20 . 1 1 73 73 THR CA C 73 62.600 62.600 63.839 -1.239 17818 10302 1 20 . 1 1 73 73 THR CB C 73 67.500 67.500 68.972 -1.472 17818 10303 1 20 . 1 1 73 73 THR H H 73 9.080 9.080 8.623 0.457 17818 10304 1 20 . 1 1 74 74 LEU N N 74 132.500 132.500 128.739 3.761 17818 10305 1 20 . 1 1 74 74 LEU HA H 74 4.140 4.140 4.241 -0.101 17818 10306 1 20 . 1 1 74 74 LEU CA C 74 56.800 56.800 55.524 1.276 17818 10307 1 20 . 1 1 74 74 LEU CB C 74 41.800 41.800 42.913 -1.113 17818 10308 1 20 . 1 1 74 74 LEU H H 74 8.220 8.220 8.714 -0.494 17818 10309 1 20 . 1 1 75 75 GLY N N 75 118.100 118.100 113.236 4.864 17818 10310 1 20 . 1 1 75 75 GLY CA C 75 46.200 46.200 45.369 0.831 17818 10311 1 20 . 1 1 75 75 GLY H H 75 9.850 9.850 8.829 1.021 17818 10312 1 20 . 1 1 76 76 ALA N N 76 120.600 120.600 121.917 -1.317 17818 10313 1 20 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.736 -0.236 17818 10314 1 20 . 1 1 76 76 ALA CA C 76 51.900 51.900 50.730 1.170 17818 10315 1 20 . 1 1 76 76 ALA CB C 76 20.200 20.200 20.517 -0.317 17818 10316 1 20 . 1 1 76 76 ALA H H 76 7.550 7.550 7.543 0.007 17818 10317 1 20 . 1 1 77 77 GLY N N 77 110.500 110.500 105.545 4.955 17818 10318 1 20 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.325 1.075 17818 10319 1 20 . 1 1 77 77 GLY H H 77 8.790 8.790 8.552 0.238 17818 10320 1 20 . 1 1 78 78 GLU N N 78 119.400 119.400 119.029 0.371 17818 10321 1 20 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.054 0.096 17818 10322 1 20 . 1 1 78 78 GLU CA C 78 57.200 57.200 58.074 -0.874 17818 10323 1 20 . 1 1 78 78 GLU CB C 78 30.900 30.900 29.688 1.212 17818 10324 1 20 . 1 1 78 78 GLU H H 78 9.240 9.240 8.363 0.877 17818 10325 1 20 . 1 1 79 79 VAL N N 79 108.600 108.600 112.388 -3.788 17818 10326 1 20 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.360 -0.140 17818 10327 1 20 . 1 1 79 79 VAL CA C 79 57.300 57.300 59.739 -2.439 17818 10328 1 20 . 1 1 79 79 VAL CB C 79 35.400 35.400 34.203 1.197 17818 10329 1 20 . 1 1 79 79 VAL H H 79 6.760 6.760 7.156 -0.396 17818 10330 1 20 . 1 1 80 80 ILE N N 80 111.800 111.800 114.889 -3.089 17818 10331 1 20 . 1 1 80 80 ILE HA H 80 3.800 3.800 4.015 -0.215 17818 10332 1 20 . 1 1 80 80 ILE CA C 80 61.800 61.800 60.985 0.815 17818 10333 1 20 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.365 -0.365 17818 10334 1 20 . 1 1 80 80 ILE H H 80 7.300 7.300 7.759 -0.459 17818 10335 1 20 . 1 1 81 81 LYS N N 81 124.700 124.700 125.102 -0.402 17818 10336 1 20 . 1 1 81 81 LYS HA H 81 4.160 4.160 3.932 0.228 17818 10337 1 20 . 1 1 81 81 LYS CA C 81 59.700 59.700 58.810 0.890 17818 10338 1 20 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.800 1.000 17818 10339 1 20 . 1 1 81 81 LYS H H 81 8.880 8.880 8.615 0.265 17818 10340 1 20 . 1 1 82 82 GLY N N 82 101.700 101.700 106.702 -5.002 17818 10341 1 20 . 1 1 82 82 GLY CA C 82 47.300 47.300 47.079 0.221 17818 10342 1 20 . 1 1 82 82 GLY H H 82 9.580 9.580 7.782 1.798 17818 10343 1 20 . 1 1 83 83 TRP N N 83 119.300 119.300 121.860 -2.560 17818 10344 1 20 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.230 -0.220 17818 10345 1 20 . 1 1 83 83 TRP CA C 83 59.300 59.300 56.881 2.419 17818 10346 1 20 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.533 0.567 17818 10347 1 20 . 1 1 83 83 TRP H H 83 7.450 7.450 7.188 0.262 17818 10348 1 20 . 1 1 84 84 ASP N N 84 120.900 120.900 119.726 1.174 17818 10349 1 20 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.340 -0.340 17818 10350 1 20 . 1 1 84 84 ASP CA C 84 58.200 58.200 57.974 0.226 17818 10351 1 20 . 1 1 84 84 ASP CB C 84 41.000 41.000 40.855 0.145 17818 10352 1 20 . 1 1 84 84 ASP H H 84 7.120 7.120 8.282 -1.162 17818 10353 1 20 . 1 1 85 85 GLN N N 85 114.500 114.500 118.785 -4.285 17818 10354 1 20 . 1 1 85 85 GLN HA H 85 4.000 4.000 3.964 0.036 17818 10355 1 20 . 1 1 85 85 GLN CA C 85 58.200 58.200 58.655 -0.455 17818 10356 1 20 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.781 0.119 17818 10357 1 20 . 1 1 85 85 GLN H H 85 8.360 8.360 8.265 0.095 17818 10358 1 20 . 1 1 86 86 GLY N N 86 106.300 106.300 107.135 -0.835 17818 10359 1 20 . 1 1 86 86 GLY CA C 86 47.700 47.700 47.314 0.386 17818 10360 1 20 . 1 1 86 86 GLY H H 86 7.960 7.960 7.924 0.036 17818 10361 1 20 . 1 1 87 87 VAL N N 87 125.300 125.300 117.237 8.063 17818 10362 1 20 . 1 1 87 87 VAL HA H 87 3.630 3.630 4.069 -0.439 17818 10363 1 20 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.105 2.295 17818 10364 1 20 . 1 1 87 87 VAL CB C 87 30.300 30.300 31.618 -1.318 17818 10365 1 20 . 1 1 87 87 VAL H H 87 9.090 9.090 7.925 1.165 17818 10366 1 20 . 1 1 88 88 ALA N N 88 116.500 116.500 121.916 -5.416 17818 10367 1 20 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.232 -0.242 17818 10368 1 20 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.298 0.002 17818 10369 1 20 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.508 0.092 17818 10370 1 20 . 1 1 88 88 ALA H H 88 6.750 6.750 8.012 -1.262 17818 10371 1 20 . 1 1 89 89 THR N N 89 105.500 105.500 112.224 -6.724 17818 10372 1 20 . 1 1 89 89 THR HA H 89 4.520 4.520 4.372 0.148 17818 10373 1 20 . 1 1 89 89 THR CA C 89 62.300 62.300 62.704 -0.404 17818 10374 1 20 . 1 1 89 89 THR CB C 89 71.100 71.100 69.270 1.829 17818 10375 1 20 . 1 1 89 89 THR H H 89 7.400 7.400 8.180 -0.780 17818 10376 1 20 . 1 1 90 90 MET N N 90 122.400 122.400 118.315 4.085 17818 10377 1 20 . 1 1 90 90 MET CA C 90 56.200 56.200 54.422 1.778 17818 10378 1 20 . 1 1 90 90 MET CB C 90 36.800 36.800 35.454 1.346 17818 10379 1 20 . 1 1 90 90 MET H H 90 7.550 7.550 7.398 0.152 17818 10380 1 20 . 1 1 91 91 THR N N 91 105.200 105.200 109.703 -4.503 17818 10381 1 20 . 1 1 91 91 THR HA H 91 5.120 5.120 4.626 0.494 17818 10382 1 20 . 1 1 91 91 THR CA C 91 59.800 59.800 59.724 0.076 17818 10383 1 20 . 1 1 91 91 THR CB C 91 71.900 71.900 71.888 0.012 17818 10384 1 20 . 1 1 91 91 THR H H 91 7.350 7.350 8.286 -0.936 17818 10385 1 20 . 1 1 92 92 LEU N N 92 121.200 121.200 121.829 -0.629 17818 10386 1 20 . 1 1 92 92 LEU HA H 92 3.600 3.600 3.956 -0.356 17818 10387 1 20 . 1 1 92 92 LEU CA C 92 58.100 58.100 55.860 2.240 17818 10388 1 20 . 1 1 92 92 LEU CB C 92 43.400 43.400 42.709 0.691 17818 10389 1 20 . 1 1 92 92 LEU H H 92 8.180 8.180 8.042 0.138 17818 10390 1 20 . 1 1 93 93 GLY N N 93 115.800 115.800 112.789 3.011 17818 10391 1 20 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.139 -0.439 17818 10392 1 20 . 1 1 93 93 GLY H H 93 8.490 8.490 9.095 -0.605 17818 10393 1 20 . 1 1 94 94 GLU N N 94 123.700 123.700 121.075 2.625 17818 10394 1 20 . 1 1 94 94 GLU HA H 94 4.290 4.290 4.952 -0.662 17818 10395 1 20 . 1 1 94 94 GLU CA C 94 56.100 56.100 55.152 0.948 17818 10396 1 20 . 1 1 94 94 GLU CB C 94 33.500 33.500 32.941 0.559 17818 10397 1 20 . 1 1 94 94 GLU H H 94 8.650 8.650 7.753 0.897 17818 10398 1 20 . 1 1 95 95 LYS N N 95 124.200 124.200 124.865 -0.665 17818 10399 1 20 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.340 0.220 17818 10400 1 20 . 1 1 95 95 LYS CA C 95 54.600 54.600 55.112 -0.512 17818 10401 1 20 . 1 1 95 95 LYS CB C 95 35.300 35.300 36.703 -1.403 17818 10402 1 20 . 1 1 95 95 LYS H H 95 8.950 8.950 8.808 0.142 17818 10403 1 20 . 1 1 96 96 ALA N N 96 129.100 129.100 127.980 1.120 17818 10404 1 20 . 1 1 96 96 ALA HA H 96 4.990 4.990 5.407 -0.417 17818 10405 1 20 . 1 1 96 96 ALA CA C 96 50.500 50.500 50.241 0.259 17818 10406 1 20 . 1 1 96 96 ALA CB C 96 23.900 23.900 23.297 0.603 17818 10407 1 20 . 1 1 96 96 ALA H H 96 9.530 9.530 9.307 0.223 17818 10408 1 20 . 1 1 97 97 LEU N N 97 122.200 122.200 122.209 -0.009 17818 10409 1 20 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.755 0.425 17818 10410 1 20 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.140 -1.140 17818 10411 1 20 . 1 1 97 97 LEU CB C 97 45.800 45.800 43.100 2.700 17818 10412 1 20 . 1 1 97 97 LEU H H 97 9.100 9.100 8.707 0.393 17818 10413 1 20 . 1 1 98 98 PHE N N 98 125.800 125.800 129.843 -4.043 17818 10414 1 20 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.221 0.479 17818 10415 1 20 . 1 1 98 98 PHE CA C 98 56.500 56.500 55.785 0.715 17818 10416 1 20 . 1 1 98 98 PHE CB C 98 42.300 42.300 42.572 -0.272 17818 10417 1 20 . 1 1 98 98 PHE H H 98 9.940 9.940 9.388 0.552 17818 10418 1 20 . 1 1 99 99 THR N N 99 121.600 121.600 125.164 -3.564 17818 10419 1 20 . 1 1 99 99 THR CA C 99 63.500 63.500 63.022 0.478 17818 10420 1 20 . 1 1 99 99 THR CB C 99 68.600 68.600 68.464 0.136 17818 10421 1 20 . 1 1 99 99 THR H H 99 9.100 9.100 8.841 0.259 17818 10422 1 20 . 1 1 100 100 ILE N N 100 127.400 127.400 129.466 -2.066 17818 10423 1 20 . 1 1 100 100 ILE CA C 100 58.700 58.700 57.298 1.402 17818 10424 1 20 . 1 1 100 100 ILE CB C 100 39.400 39.400 37.902 1.498 17818 10425 1 20 . 1 1 100 100 ILE H H 100 9.880 9.880 9.115 0.765 17818 10426 1 20 . 1 1 101 101 PRO CA C 101 62.200 62.200 62.228 -0.028 17818 10427 1 20 . 1 1 101 101 PRO CB C 101 32.500 32.500 31.796 0.704 17818 10428 1 20 . 1 1 102 102 TYR N N 102 118.100 118.100 121.873 -3.773 17818 10429 1 20 . 1 1 102 102 TYR HA H 102 4.470 4.470 3.998 0.472 17818 10430 1 20 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.953 0.147 17818 10431 1 20 . 1 1 102 102 TYR CB C 102 37.000 37.000 37.019 -0.019 17818 10432 1 20 . 1 1 102 102 TYR H H 102 8.450 8.450 8.204 0.246 17818 10433 1 20 . 1 1 103 103 GLN N N 103 123.800 123.800 117.339 6.461 17818 10434 1 20 . 1 1 103 103 GLN HA H 103 4.050 4.050 3.875 0.175 17818 10435 1 20 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.637 1.863 17818 10436 1 20 . 1 1 103 103 GLN CB C 103 27.300 27.300 27.832 -0.532 17818 10437 1 20 . 1 1 103 103 GLN H H 103 9.080 9.080 7.713 1.367 17818 10438 1 20 . 1 1 104 104 LEU N N 104 116.800 116.800 117.395 -0.595 17818 10439 1 20 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.543 -0.023 17818 10440 1 20 . 1 1 104 104 LEU CA C 104 53.100 53.100 53.871 -0.771 17818 10441 1 20 . 1 1 104 104 LEU CB C 104 43.400 43.400 41.845 1.555 17818 10442 1 20 . 1 1 104 104 LEU H H 104 7.790 7.790 7.521 0.269 17818 10443 1 20 . 1 1 105 105 ALA N N 105 125.400 125.400 120.489 4.911 17818 10444 1 20 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.395 0.075 17818 10445 1 20 . 1 1 105 105 ALA CA C 105 51.000 51.000 51.381 -0.381 17818 10446 1 20 . 1 1 105 105 ALA CB C 105 18.900 18.900 20.567 -1.667 17818 10447 1 20 . 1 1 105 105 ALA H H 105 7.780 7.780 7.528 0.252 17818 10448 1 20 . 1 1 106 106 TYR N N 106 122.000 122.000 118.137 3.863 17818 10449 1 20 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.347 0.263 17818 10450 1 20 . 1 1 106 106 TYR CA C 106 59.300 59.300 58.950 0.350 17818 10451 1 20 . 1 1 106 106 TYR CB C 106 37.400 37.400 37.962 -0.562 17818 10452 1 20 . 1 1 106 106 TYR H H 106 9.430 9.430 8.473 0.957 17818 10453 1 20 . 1 1 107 107 GLY N N 107 105.500 105.500 107.626 -2.126 17818 10454 1 20 . 1 1 107 107 GLY CA C 107 46.500 46.500 45.963 0.537 17818 10455 1 20 . 1 1 107 107 GLY H H 107 8.490 8.490 7.879 0.611 17818 10456 1 20 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.250 -0.740 17818 10457 1 20 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.607 -0.107 17818 10458 1 20 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.698 -0.098 17818 10459 1 20 . 1 1 109 109 ARG N N 109 115.900 115.900 119.748 -3.848 17818 10460 1 20 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.158 0.022 17818 10461 1 20 . 1 1 109 109 ARG CA C 109 57.400 57.400 56.308 1.092 17818 10462 1 20 . 1 1 109 109 ARG CB C 109 30.700 30.700 31.186 -0.486 17818 10463 1 20 . 1 1 109 109 ARG H H 109 8.840 8.840 7.692 1.148 17818 10464 1 20 . 1 1 110 110 GLY N N 110 130.700 130.700 106.362 24.338 17818 10465 1 20 . 1 1 110 110 GLY CA C 110 44.800 44.800 45.259 -0.459 17818 10466 1 20 . 1 1 110 110 GLY H H 110 7.140 7.140 8.087 -0.947 17818 10467 1 20 . 1 1 111 111 TYR N N 111 119.700 119.700 121.638 -1.938 17818 10468 1 20 . 1 1 111 111 TYR CA C 111 54.500 54.500 59.589 -5.089 17818 10469 1 20 . 1 1 111 111 TYR CB C 111 38.600 38.600 39.195 -0.595 17818 10470 1 20 . 1 1 111 111 TYR H H 111 8.570 8.570 8.722 -0.152 17818 10471 1 20 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.742 -0.942 17818 10472 1 20 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.527 2.773 17818 10473 1 20 . 1 1 114 114 VAL N N 114 122.900 122.900 112.963 9.937 17818 10474 1 20 . 1 1 114 114 VAL HA H 114 3.850 3.850 3.982 -0.132 17818 10475 1 20 . 1 1 114 114 VAL CA C 114 65.600 65.600 63.862 1.738 17818 10476 1 20 . 1 1 114 114 VAL CB C 114 33.000 33.000 32.322 0.679 17818 10477 1 20 . 1 1 114 114 VAL H H 114 7.870 7.870 7.607 0.263 17818 10478 1 20 . 1 1 115 115 ILE N N 115 118.100 118.100 121.313 -3.213 17818 10479 1 20 . 1 1 115 115 ILE CA C 115 56.300 56.300 57.224 -0.924 17818 10480 1 20 . 1 1 115 115 ILE CB C 115 37.700 37.700 37.840 -0.140 17818 10481 1 20 . 1 1 115 115 ILE H H 115 7.550 7.550 7.871 -0.321 17818 10482 1 20 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.178 -0.558 17818 10483 1 20 . 1 1 117 117 PRO CA C 117 63.400 63.400 63.770 -0.370 17818 10484 1 20 . 1 1 117 117 PRO CB C 117 32.800 32.800 31.486 1.314 17818 10485 1 20 . 1 1 118 118 LYS N N 118 115.100 115.100 115.649 -0.549 17818 10486 1 20 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.636 -1.056 17818 10487 1 20 . 1 1 118 118 LYS CA C 118 57.900 57.900 56.948 0.952 17818 10488 1 20 . 1 1 118 118 LYS CB C 118 29.700 29.700 29.973 -0.273 17818 10489 1 20 . 1 1 118 118 LYS H H 118 7.330 7.330 8.307 -0.977 17818 10490 1 20 . 1 1 119 119 ALA N N 119 121.900 121.900 120.902 0.998 17818 10491 1 20 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.664 -0.214 17818 10492 1 20 . 1 1 119 119 ALA CA C 119 52.700 52.700 51.191 1.509 17818 10493 1 20 . 1 1 119 119 ALA CB C 119 20.100 20.100 20.464 -0.364 17818 10494 1 20 . 1 1 119 119 ALA H H 119 7.900 7.900 7.591 0.309 17818 10495 1 20 . 1 1 120 120 THR N N 120 121.800 121.800 120.914 0.886 17818 10496 1 20 . 1 1 120 120 THR CA C 120 63.100 63.100 64.118 -1.018 17818 10497 1 20 . 1 1 120 120 THR CB C 120 69.800 69.800 69.492 0.308 17818 10498 1 20 . 1 1 120 120 THR H H 120 8.170 8.170 8.484 -0.314 17818 10499 1 20 . 1 1 121 121 LEU N N 121 124.200 124.200 126.763 -2.563 17818 10500 1 20 . 1 1 121 121 LEU CA C 121 53.100 53.100 53.352 -0.253 17818 10501 1 20 . 1 1 121 121 LEU CB C 121 46.300 46.300 46.470 -0.170 17818 10502 1 20 . 1 1 121 121 LEU H H 121 8.640 8.640 8.980 -0.340 17818 10503 1 20 . 1 1 122 122 VAL N N 122 122.200 122.200 122.376 -0.176 17818 10504 1 20 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.675 0.615 17818 10505 1 20 . 1 1 122 122 VAL CA C 122 60.700 60.700 61.434 -0.734 17818 10506 1 20 . 1 1 122 122 VAL CB C 122 33.300 33.300 32.230 1.070 17818 10507 1 20 . 1 1 122 122 VAL H H 122 8.860 8.860 8.549 0.311 17818 10508 1 20 . 1 1 123 123 PHE N N 123 122.900 122.900 126.421 -3.521 17818 10509 1 20 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.266 0.134 17818 10510 1 20 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.411 -1.011 17818 10511 1 20 . 1 1 123 123 PHE CB C 123 44.000 44.000 42.586 1.414 17818 10512 1 20 . 1 1 123 123 PHE H H 123 9.620 9.620 9.561 0.059 17818 10513 1 20 . 1 1 124 124 GLU N N 124 125.500 125.500 125.473 0.027 17818 10514 1 20 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.847 1.053 17818 10515 1 20 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.646 -1.046 17818 10516 1 20 . 1 1 124 124 GLU CB C 124 31.800 31.800 29.876 1.924 17818 10517 1 20 . 1 1 124 124 GLU H H 124 9.180 9.180 8.967 0.213 17818 10518 1 20 . 1 1 125 125 VAL N N 125 128.100 128.100 121.051 7.049 17818 10519 1 20 . 1 1 125 125 VAL CA C 125 61.300 61.300 59.971 1.329 17818 10520 1 20 . 1 1 125 125 VAL CB C 125 35.800 35.800 34.311 1.489 17818 10521 1 20 . 1 1 125 125 VAL H H 125 9.600 9.600 8.923 0.677 17818 10522 1 20 . 1 1 126 126 GLU N N 126 128.500 128.500 124.845 3.655 17818 10523 1 20 . 1 1 126 126 GLU HA H 126 5.630 5.630 5.256 0.374 17818 10524 1 20 . 1 1 126 126 GLU CA C 126 53.500 53.500 55.065 -1.565 17818 10525 1 20 . 1 1 126 126 GLU CB C 126 34.000 34.000 34.499 -0.499 17818 10526 1 20 . 1 1 126 126 GLU H H 126 9.420 9.420 9.173 0.247 17818 10527 1 20 . 1 1 127 127 LEU N N 127 127.900 127.900 127.946 -0.046 17818 10528 1 20 . 1 1 127 127 LEU CA C 127 55.100 55.100 54.047 1.053 17818 10529 1 20 . 1 1 127 127 LEU CB C 127 41.400 41.400 42.840 -1.440 17818 10530 1 20 . 1 1 127 127 LEU H H 127 8.720 8.720 8.992 -0.272 17818 10531 1 20 . 1 1 128 128 LEU N N 128 128.700 128.700 128.934 -0.234 17818 10532 1 20 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.553 -0.153 17818 10533 1 20 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.245 0.655 17818 10534 1 20 . 1 1 128 128 LEU CB C 128 43.700 43.700 42.300 1.400 17818 10535 1 20 . 1 1 128 128 LEU H H 128 8.690 8.690 8.825 -0.135 17818 10536 1 20 . 1 1 129 129 ALA N N 129 118.600 118.600 118.952 -0.352 17818 10537 1 20 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.541 -0.081 17818 10538 1 20 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.447 1.353 17818 10539 1 20 . 1 1 129 129 ALA CB C 129 21.100 21.100 22.268 -1.168 17818 10540 1 20 . 1 1 129 129 ALA H H 129 7.810 7.810 7.860 -0.050 17818 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 110 4.004 -0.045 4.022 17818 2 1 1 "Average Difference" HA 113 0.444 -0.043 0.444 17818 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17818 4 1 1 "Average Difference" CA 120 1.231 -0.070 1.234 17818 5 1 1 "Average Difference" CB 104 1.425 -0.462 1.354 17818 6 1 1 "Average Difference" HN 110 0.741 -0.144 0.730 17818 7 1 2 "Average Difference" N 110 4.268 0.013 4.288 17818 8 1 2 "Average Difference" HA 113 0.441 -0.041 0.441 17818 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17818 10 1 2 "Average Difference" CA 120 1.243 -0.184 1.235 17818 11 1 2 "Average Difference" CB 104 1.359 -0.312 1.329 17818 12 1 2 "Average Difference" HN 110 0.744 -0.098 0.741 17818 13 1 3 "Average Difference" N 110 4.349 0.069 4.368 17818 14 1 3 "Average Difference" HA 113 0.440 -0.037 0.441 17818 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17818 16 1 3 "Average Difference" CA 120 1.241 -0.213 1.228 17818 17 1 3 "Average Difference" CB 104 1.464 -0.271 1.446 17818 18 1 3 "Average Difference" HN 110 0.739 -0.102 0.735 17818 19 1 4 "Average Difference" N 110 3.948 0.275 3.956 17818 20 1 4 "Average Difference" HA 113 0.427 -0.043 0.427 17818 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17818 22 1 4 "Average Difference" CA 120 1.280 -0.191 1.271 17818 23 1 4 "Average Difference" CB 104 1.418 -0.314 1.389 17818 24 1 4 "Average Difference" HN 110 0.720 -0.090 0.718 17818 25 1 5 "Average Difference" N 110 4.039 -0.177 4.054 17818 26 1 5 "Average Difference" HA 113 0.426 -0.035 0.426 17818 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17818 28 1 5 "Average Difference" CA 120 1.308 -0.252 1.289 17818 29 1 5 "Average Difference" CB 104 1.338 -0.419 1.276 17818 30 1 5 "Average Difference" HN 110 0.687 -0.144 0.675 17818 31 1 6 "Average Difference" N 110 4.003 0.105 4.020 17818 32 1 6 "Average Difference" HA 113 0.453 -0.022 0.454 17818 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17818 34 1 6 "Average Difference" CA 120 1.266 -0.079 1.269 17818 35 1 6 "Average Difference" CB 104 1.276 -0.300 1.246 17818 36 1 6 "Average Difference" HN 110 0.720 -0.112 0.714 17818 37 1 7 "Average Difference" N 110 4.187 0.122 4.204 17818 38 1 7 "Average Difference" HA 113 0.449 -0.031 0.450 17818 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17818 40 1 7 "Average Difference" CA 120 1.192 -0.166 1.185 17818 41 1 7 "Average Difference" CB 104 1.491 -0.376 1.449 17818 42 1 7 "Average Difference" HN 110 0.724 -0.095 0.721 17818 43 1 8 "Average Difference" N 110 4.024 0.033 4.042 17818 44 1 8 "Average Difference" HA 113 0.446 -0.025 0.448 17818 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17818 46 1 8 "Average Difference" CA 120 1.276 -0.175 1.269 17818 47 1 8 "Average Difference" CB 104 1.413 -0.355 1.374 17818 48 1 8 "Average Difference" HN 110 0.747 -0.109 0.742 17818 49 1 9 "Average Difference" N 110 4.312 0.105 4.331 17818 50 1 9 "Average Difference" HA 113 0.448 -0.021 0.450 17818 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17818 52 1 9 "Average Difference" CA 120 1.243 -0.183 1.235 17818 53 1 9 "Average Difference" CB 104 1.375 -0.340 1.339 17818 54 1 9 "Average Difference" HN 110 0.717 -0.102 0.713 17818 55 1 10 "Average Difference" N 110 4.293 0.246 4.306 17818 56 1 10 "Average Difference" HA 113 0.447 -0.029 0.448 17818 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17818 58 1 10 "Average Difference" CA 120 1.258 -0.213 1.245 17818 59 1 10 "Average Difference" CB 104 1.335 -0.380 1.286 17818 60 1 10 "Average Difference" HN 110 0.755 -0.114 0.749 17818 61 1 11 "Average Difference" N 110 4.214 -0.096 4.232 17818 62 1 11 "Average Difference" HA 113 0.463 -0.006 0.465 17818 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17818 64 1 11 "Average Difference" CA 120 1.250 -0.248 1.230 17818 65 1 11 "Average Difference" CB 104 1.318 -0.312 1.287 17818 66 1 11 "Average Difference" HN 110 0.720 -0.103 0.716 17818 67 1 12 "Average Difference" N 110 4.109 0.163 4.124 17818 68 1 12 "Average Difference" HA 113 0.432 -0.045 0.432 17818 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17818 70 1 12 "Average Difference" CA 120 1.109 -0.199 1.096 17818 71 1 12 "Average Difference" CB 104 1.417 -0.351 1.380 17818 72 1 12 "Average Difference" HN 110 0.745 -0.117 0.739 17818 73 1 13 "Average Difference" N 110 4.220 0.164 4.236 17818 74 1 13 "Average Difference" HA 113 0.456 -0.043 0.457 17818 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17818 76 1 13 "Average Difference" CA 120 1.290 -0.199 1.280 17818 77 1 13 "Average Difference" CB 104 1.449 -0.376 1.406 17818 78 1 13 "Average Difference" HN 110 0.707 -0.123 0.700 17818 79 1 14 "Average Difference" N 110 4.290 0.037 4.309 17818 80 1 14 "Average Difference" HA 113 0.440 -0.012 0.442 17818 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17818 82 1 14 "Average Difference" CA 120 1.199 -0.226 1.183 17818 83 1 14 "Average Difference" CB 104 1.402 -0.404 1.349 17818 84 1 14 "Average Difference" HN 110 0.729 -0.121 0.722 17818 85 1 15 "Average Difference" N 110 3.933 -0.016 3.950 17818 86 1 15 "Average Difference" HA 113 0.414 -0.030 0.415 17818 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17818 88 1 15 "Average Difference" CA 120 1.183 -0.206 1.170 17818 89 1 15 "Average Difference" CB 104 1.473 -0.338 1.441 17818 90 1 15 "Average Difference" HN 110 0.739 -0.107 0.735 17818 91 1 16 "Average Difference" N 110 4.171 0.221 4.184 17818 92 1 16 "Average Difference" HA 113 0.442 -0.028 0.443 17818 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17818 94 1 16 "Average Difference" CA 120 1.293 -0.235 1.277 17818 95 1 16 "Average Difference" CB 104 1.520 -0.323 1.493 17818 96 1 16 "Average Difference" HN 110 0.754 -0.076 0.753 17818 97 1 17 "Average Difference" N 110 4.012 -0.216 4.025 17818 98 1 17 "Average Difference" HA 113 0.453 -0.028 0.455 17818 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17818 100 1 17 "Average Difference" CA 120 1.313 -0.079 1.316 17818 101 1 17 "Average Difference" CB 104 1.425 -0.390 1.377 17818 102 1 17 "Average Difference" HN 110 0.750 -0.112 0.746 17818 103 1 18 "Average Difference" N 110 4.290 0.212 4.305 17818 104 1 18 "Average Difference" HA 113 0.460 0.004 0.462 17818 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17818 106 1 18 "Average Difference" CA 120 1.127 -0.191 1.116 17818 107 1 18 "Average Difference" CB 104 1.356 -0.274 1.334 17818 108 1 18 "Average Difference" HN 110 0.736 -0.094 0.733 17818 109 1 19 "Average Difference" N 110 3.950 -0.140 3.965 17818 110 1 19 "Average Difference" HA 113 0.441 -0.054 0.440 17818 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17818 112 1 19 "Average Difference" CA 120 1.121 -0.178 1.111 17818 113 1 19 "Average Difference" CB 104 1.362 -0.320 1.331 17818 114 1 19 "Average Difference" HN 110 0.722 -0.113 0.716 17818 115 1 20 "Average Difference" N 110 4.162 -0.231 4.175 17818 116 1 20 "Average Difference" HA 113 0.427 -0.020 0.428 17818 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17818 118 1 20 "Average Difference" CA 120 1.169 -0.126 1.167 17818 119 1 20 "Average Difference" CB 104 1.536 -0.320 1.509 17818 120 1 20 "Average Difference" HN 110 0.748 -0.098 0.745 17818 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 17818 _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 8 8 HIS CA C 8 54.700 54.700 56.084 -1.384 17818 2 1 . 1 1 8 8 HIS CB C 8 31.200 31.200 30.333 0.867 17818 3 1 . 1 1 9 9 MET N N 9 120.000 120.000 122.111 -2.111 17818 4 1 . 1 1 9 9 MET HA H 9 4.280 4.280 4.526 -0.246 17818 5 1 . 1 1 9 9 MET CA C 9 55.500 55.500 55.297 0.203 17818 6 1 . 1 1 9 9 MET CB C 9 32.500 32.500 33.723 -1.223 17818 7 1 . 1 1 9 9 MET H H 9 8.110 8.110 8.171 -0.061 17818 8 1 . 1 1 10 10 GLY N N 10 109.800 109.800 109.685 0.115 17818 9 1 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.751 0.549 17818 10 1 . 1 1 10 10 GLY H H 10 8.440 8.440 8.341 0.099 17818 11 1 . 1 1 11 11 THR N N 11 113.600 113.600 115.800 -2.200 17818 12 1 . 1 1 11 11 THR HA H 11 4.330 4.330 4.337 -0.007 17818 13 1 . 1 1 11 11 THR CA C 11 62.000 62.000 62.284 -0.284 17818 14 1 . 1 1 11 11 THR CB C 11 69.900 69.900 69.291 0.609 17818 15 1 . 1 1 11 11 THR H H 11 8.070 8.070 8.101 -0.031 17818 16 1 . 1 1 12 12 LEU N N 12 124.200 124.200 122.905 1.295 17818 17 1 . 1 1 12 12 LEU HA H 12 4.320 4.320 4.445 -0.125 17818 18 1 . 1 1 12 12 LEU CA C 12 55.500 55.500 55.322 0.178 17818 19 1 . 1 1 12 12 LEU CB C 12 42.100 42.100 42.340 -0.240 17818 20 1 . 1 1 12 12 LEU H H 12 8.380 8.380 8.277 0.103 17818 21 1 . 1 1 13 13 GLU N N 13 121.600 121.600 121.146 0.454 17818 22 1 . 1 1 13 13 GLU HA H 13 4.200 4.200 4.382 -0.182 17818 23 1 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.940 0.960 17818 24 1 . 1 1 13 13 GLU CB C 13 30.000 30.000 29.777 0.223 17818 25 1 . 1 1 13 13 GLU H H 13 8.430 8.430 8.276 0.154 17818 26 1 . 1 1 14 14 ALA N N 14 124.400 124.400 125.345 -0.945 17818 27 1 . 1 1 14 14 ALA HA H 14 4.270 4.270 4.395 -0.125 17818 28 1 . 1 1 14 14 ALA CA C 14 52.700 52.700 52.169 0.531 17818 29 1 . 1 1 14 14 ALA CB C 14 19.100 19.100 19.369 -0.269 17818 30 1 . 1 1 14 14 ALA H H 14 8.290 8.290 8.251 0.039 17818 31 1 . 1 1 15 15 GLN N N 15 119.100 119.100 120.238 -1.138 17818 32 1 . 1 1 15 15 GLN HA H 15 4.390 4.390 4.341 0.049 17818 33 1 . 1 1 15 15 GLN CA C 15 56.000 56.000 55.890 0.110 17818 34 1 . 1 1 15 15 GLN CB C 15 29.400 29.400 29.038 0.362 17818 35 1 . 1 1 15 15 GLN H H 15 8.370 8.370 8.387 -0.017 17818 36 1 . 1 1 16 16 THR N N 16 114.900 114.900 115.472 -0.572 17818 37 1 . 1 1 16 16 THR CA C 16 62.100 62.100 62.218 -0.118 17818 38 1 . 1 1 16 16 THR CB C 16 69.800 69.800 69.376 0.424 17818 39 1 . 1 1 16 16 THR H H 16 8.200 8.200 8.272 -0.072 17818 40 1 . 1 1 17 17 GLN N N 17 122.200 122.200 123.525 -1.325 17818 41 1 . 1 1 17 17 GLN HA H 17 4.430 4.430 4.377 0.053 17818 42 1 . 1 1 17 17 GLN CA C 17 55.600 55.600 55.877 -0.277 17818 43 1 . 1 1 17 17 GLN CB C 17 29.700 29.700 29.295 0.404 17818 44 1 . 1 1 17 17 GLN H H 17 8.420 8.420 8.350 0.070 17818 45 1 . 1 1 18 18 GLY N N 18 110.100 110.100 110.195 -0.095 17818 46 1 . 1 1 18 18 GLY CA C 18 44.600 44.600 44.564 0.036 17818 47 1 . 1 1 18 18 GLY H H 18 8.360 8.360 8.141 0.218 17818 48 1 . 1 1 19 19 PRO HA H 19 4.440 4.440 4.448 -0.008 17818 49 1 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.192 0.408 17818 50 1 . 1 1 19 19 PRO CB C 19 32.000 32.000 31.526 0.474 17818 51 1 . 1 1 20 20 GLY N N 20 109.400 109.400 110.159 -0.759 17818 52 1 . 1 1 20 20 GLY CA C 20 45.300 45.300 44.912 0.388 17818 53 1 . 1 1 20 20 GLY H H 20 8.630 8.630 8.144 0.486 17818 54 1 . 1 1 21 21 SER N N 21 115.400 115.400 117.616 -2.216 17818 55 1 . 1 1 21 21 SER CA C 21 63.800 63.800 58.537 5.263 17818 56 1 . 1 1 21 21 SER CB C 21 69.800 69.800 63.175 6.625 17818 57 1 . 1 1 21 21 SER H H 21 4.180 4.180 8.177 -3.997 17818 58 1 . 1 1 22 22 MET N N 22 121.900 121.900 121.908 -0.008 17818 59 1 . 1 1 22 22 MET CA C 22 55.500 55.500 55.642 -0.142 17818 60 1 . 1 1 22 22 MET CB C 22 32.800 32.800 32.378 0.422 17818 61 1 . 1 1 22 22 MET H H 22 8.440 8.440 8.397 0.043 17818 62 1 . 1 1 23 23 SER N N 23 116.600 116.600 116.956 -0.356 17818 63 1 . 1 1 23 23 SER HA H 23 4.400 4.400 4.550 -0.151 17818 64 1 . 1 1 23 23 SER CA C 23 58.300 58.300 58.287 0.013 17818 65 1 . 1 1 23 23 SER CB C 23 63.700 63.700 64.354 -0.654 17818 66 1 . 1 1 23 23 SER H H 23 8.290 8.290 8.149 0.141 17818 67 1 . 1 1 24 24 ALA N N 24 125.700 125.700 124.649 1.051 17818 68 1 . 1 1 24 24 ALA HA H 24 4.290 4.290 4.345 -0.055 17818 69 1 . 1 1 24 24 ALA CA C 24 52.100 52.100 51.990 0.110 17818 70 1 . 1 1 24 24 ALA CB C 24 19.300 19.300 18.752 0.548 17818 71 1 . 1 1 24 24 ALA H H 24 8.200 8.200 8.247 -0.047 17818 72 1 . 1 1 25 25 GLN N N 25 118.300 118.300 122.201 -3.901 17818 73 1 . 1 1 25 25 GLN HA H 25 4.510 4.510 4.468 0.042 17818 74 1 . 1 1 25 25 GLN CA C 25 54.200 54.200 54.963 -0.763 17818 75 1 . 1 1 25 25 GLN CB C 25 31.300 31.300 30.648 0.652 17818 76 1 . 1 1 25 25 GLN H H 25 8.280 8.280 8.289 -0.009 17818 77 1 . 1 1 26 26 LEU N N 26 122.100 122.100 125.009 -2.909 17818 78 1 . 1 1 26 26 LEU HA H 26 4.460 4.460 4.549 -0.089 17818 79 1 . 1 1 26 26 LEU CA C 26 55.300 55.300 54.607 0.693 17818 80 1 . 1 1 26 26 LEU CB C 26 43.500 43.500 43.806 -0.307 17818 81 1 . 1 1 26 26 LEU H H 26 8.480 8.480 8.434 0.046 17818 82 1 . 1 1 27 27 GLU N N 27 125.300 125.300 126.145 -0.845 17818 83 1 . 1 1 27 27 GLU CA C 27 55.300 55.300 55.175 0.124 17818 84 1 . 1 1 27 27 GLU CB C 27 32.400 32.400 32.362 0.038 17818 85 1 . 1 1 27 27 GLU H H 27 8.240 8.240 8.254 -0.014 17818 86 1 . 1 1 28 28 LYS N N 28 125.000 125.000 123.304 1.696 17818 87 1 . 1 1 28 28 LYS HA H 28 4.610 4.610 5.083 -0.473 17818 88 1 . 1 1 28 28 LYS CA C 28 54.500 54.500 54.697 -0.197 17818 89 1 . 1 1 28 28 LYS CB C 28 35.700 35.700 33.647 2.053 17818 90 1 . 1 1 28 28 LYS H H 28 8.810 8.810 8.466 0.344 17818 91 1 . 1 1 29 29 LYS N N 29 128.100 128.100 126.087 2.013 17818 92 1 . 1 1 29 29 LYS HA H 29 5.030 5.030 4.555 0.475 17818 93 1 . 1 1 29 29 LYS CA C 29 55.000 55.000 54.812 0.188 17818 94 1 . 1 1 29 29 LYS CB C 29 36.200 36.200 34.368 1.832 17818 95 1 . 1 1 29 29 LYS H H 29 8.850 8.850 8.794 0.056 17818 96 1 . 1 1 30 30 VAL N N 30 127.200 127.200 127.408 -0.208 17818 97 1 . 1 1 30 30 VAL HA H 30 3.660 3.660 3.982 -0.322 17818 98 1 . 1 1 30 30 VAL CA C 30 64.800 64.800 63.350 1.450 17818 99 1 . 1 1 30 30 VAL CB C 30 31.600 31.600 31.808 -0.208 17818 100 1 . 1 1 30 30 VAL H H 30 9.170 9.170 8.867 0.303 17818 101 1 . 1 1 31 31 LEU N N 31 129.800 129.800 129.802 -0.002 17818 102 1 . 1 1 31 31 LEU HA H 31 4.440 4.440 4.520 -0.080 17818 103 1 . 1 1 31 31 LEU CA C 31 56.000 56.000 55.999 0.001 17818 104 1 . 1 1 31 31 LEU CB C 31 41.800 41.800 43.000 -1.200 17818 105 1 . 1 1 31 31 LEU H H 31 9.020 9.020 8.802 0.218 17818 106 1 . 1 1 32 32 THR N N 32 115.700 115.700 115.047 0.653 17818 107 1 . 1 1 32 32 THR CA C 32 59.300 59.300 60.303 -1.003 17818 108 1 . 1 1 32 32 THR CB C 32 72.500 72.500 70.575 1.925 17818 109 1 . 1 1 32 32 THR H H 32 8.220 8.220 8.105 0.115 17818 110 1 . 1 1 33 33 PRO HA H 33 4.290 4.290 4.621 -0.331 17818 111 1 . 1 1 33 33 PRO CA C 33 63.000 63.000 62.363 0.637 17818 112 1 . 1 1 33 33 PRO CB C 33 32.400 32.400 32.177 0.223 17818 113 1 . 1 1 34 34 GLY N N 34 109.400 109.400 111.217 -1.817 17818 114 1 . 1 1 34 34 GLY CA C 34 44.200 44.200 43.668 0.532 17818 115 1 . 1 1 34 34 GLY H H 34 9.010 9.010 8.380 0.630 17818 116 1 . 1 1 35 35 ASP N N 35 119.400 119.400 120.250 -0.850 17818 117 1 . 1 1 35 35 ASP HA H 35 4.330 4.330 4.375 -0.045 17818 118 1 . 1 1 35 35 ASP CA C 35 54.700 54.700 56.780 -2.080 17818 119 1 . 1 1 35 35 ASP CB C 35 39.400 39.400 41.248 -1.848 17818 120 1 . 1 1 35 35 ASP H H 35 8.370 8.370 8.295 0.075 17818 121 1 . 1 1 36 36 GLY N N 36 107.900 107.900 107.178 0.722 17818 122 1 . 1 1 36 36 GLY CA C 36 46.000 46.000 46.352 -0.352 17818 123 1 . 1 1 36 36 GLY H H 36 8.750 8.750 8.336 0.414 17818 124 1 . 1 1 37 37 VAL N N 37 116.200 116.200 116.421 -0.221 17818 125 1 . 1 1 37 37 VAL HA H 37 4.500 4.500 4.191 0.309 17818 126 1 . 1 1 37 37 VAL CA C 37 62.500 62.500 63.161 -0.661 17818 127 1 . 1 1 37 37 VAL CB C 37 35.900 35.900 31.991 3.909 17818 128 1 . 1 1 37 37 VAL H H 37 8.590 8.590 7.662 0.928 17818 129 1 . 1 1 38 38 THR N N 38 126.400 126.400 114.304 12.096 17818 130 1 . 1 1 38 38 THR HA H 38 4.210 4.210 4.289 -0.079 17818 131 1 . 1 1 38 38 THR CA C 38 63.300 63.300 61.967 1.333 17818 132 1 . 1 1 38 38 THR CB C 38 65.800 65.800 68.672 -2.872 17818 133 1 . 1 1 38 38 THR H H 38 10.650 10.650 7.805 2.845 17818 134 1 . 1 1 39 39 LYS N N 39 127.000 127.000 126.187 0.813 17818 135 1 . 1 1 39 39 LYS CA C 39 53.400 53.400 53.684 -0.284 17818 136 1 . 1 1 39 39 LYS CB C 39 33.200 33.200 32.730 0.470 17818 137 1 . 1 1 39 39 LYS H H 39 8.390 8.390 8.185 0.205 17818 138 1 . 1 1 40 40 PRO CA C 40 62.200 62.200 62.702 -0.502 17818 139 1 . 1 1 40 40 PRO CB C 40 33.300 33.300 32.494 0.806 17818 140 1 . 1 1 41 41 GLN N N 41 120.900 120.900 119.568 1.332 17818 141 1 . 1 1 41 41 GLN HA H 41 4.460 4.460 4.486 -0.026 17818 142 1 . 1 1 41 41 GLN CA C 41 53.700 53.700 54.376 -0.676 17818 143 1 . 1 1 41 41 GLN CB C 41 31.500 31.500 30.808 0.692 17818 144 1 . 1 1 41 41 GLN H H 41 8.750 8.750 8.188 0.561 17818 145 1 . 1 1 42 42 ALA N N 42 125.700 125.700 123.537 2.163 17818 146 1 . 1 1 42 42 ALA HA H 42 3.780 3.780 4.242 -0.462 17818 147 1 . 1 1 42 42 ALA CA C 42 53.400 53.400 52.359 1.041 17818 148 1 . 1 1 42 42 ALA CB C 42 17.800 17.800 18.851 -1.051 17818 149 1 . 1 1 42 42 ALA H H 42 8.550 8.550 8.403 0.147 17818 150 1 . 1 1 43 43 GLY N N 43 109.700 109.700 109.241 0.459 17818 151 1 . 1 1 43 43 GLY CA C 43 45.200 45.200 45.035 0.165 17818 152 1 . 1 1 43 43 GLY H H 43 8.970 8.970 8.737 0.233 17818 153 1 . 1 1 44 44 LYS N N 44 120.300 120.300 120.862 -0.562 17818 154 1 . 1 1 44 44 LYS HA H 44 4.670 4.670 4.516 0.154 17818 155 1 . 1 1 44 44 LYS CA C 44 53.800 53.800 54.237 -0.437 17818 156 1 . 1 1 44 44 LYS CB C 44 34.100 34.100 34.577 -0.477 17818 157 1 . 1 1 44 44 LYS H H 44 7.920 7.920 7.475 0.445 17818 158 1 . 1 1 45 45 LYS N N 45 120.800 120.800 124.837 -4.037 17818 159 1 . 1 1 45 45 LYS HA H 45 4.520 4.520 4.307 0.213 17818 160 1 . 1 1 45 45 LYS CA C 45 56.300 56.300 56.052 0.248 17818 161 1 . 1 1 45 45 LYS CB C 45 32.900 32.900 31.923 0.977 17818 162 1 . 1 1 45 45 LYS H H 45 8.340 8.340 8.559 -0.219 17818 163 1 . 1 1 46 46 VAL N N 46 117.600 117.600 122.965 -5.365 17818 164 1 . 1 1 46 46 VAL HA H 46 4.560 4.560 4.482 0.078 17818 165 1 . 1 1 46 46 VAL CA C 46 58.900 58.900 59.405 -0.505 17818 166 1 . 1 1 46 46 VAL CB C 46 33.900 33.900 34.175 -0.275 17818 167 1 . 1 1 46 46 VAL H H 46 8.560 8.560 8.654 -0.094 17818 168 1 . 1 1 47 47 THR N N 47 115.600 115.600 121.936 -6.336 17818 169 1 . 1 1 47 47 THR HA H 47 5.100 5.100 4.864 0.236 17818 170 1 . 1 1 47 47 THR CA C 47 61.600 61.600 62.439 -0.839 17818 171 1 . 1 1 47 47 THR CB C 47 69.800 69.800 68.605 1.195 17818 172 1 . 1 1 47 47 THR H H 47 8.130 8.130 8.559 -0.428 17818 173 1 . 1 1 48 48 VAL N N 48 118.100 118.100 121.771 -3.671 17818 174 1 . 1 1 48 48 VAL HA H 48 5.790 5.790 5.291 0.499 17818 175 1 . 1 1 48 48 VAL CA C 48 58.000 58.000 58.694 -0.694 17818 176 1 . 1 1 48 48 VAL CB C 48 35.500 35.500 35.570 -0.070 17818 177 1 . 1 1 48 48 VAL H H 48 9.740 9.740 9.164 0.576 17818 178 1 . 1 1 49 49 HIS N N 49 119.000 119.000 118.263 0.737 17818 179 1 . 1 1 49 49 HIS HA H 49 5.810 5.810 4.993 0.817 17818 180 1 . 1 1 49 49 HIS CA C 49 54.600 54.600 54.620 -0.020 17818 181 1 . 1 1 49 49 HIS CB C 49 35.600 35.600 33.863 1.737 17818 182 1 . 1 1 49 49 HIS H H 49 8.630 8.630 8.591 0.039 17818 183 1 . 1 1 50 50 TYR N N 50 116.800 116.800 121.189 -4.389 17818 184 1 . 1 1 50 50 TYR HA H 50 6.230 6.230 5.450 0.780 17818 185 1 . 1 1 50 50 TYR CA C 50 56.000 56.000 55.728 0.272 17818 186 1 . 1 1 50 50 TYR CB C 50 43.500 43.500 41.450 2.050 17818 187 1 . 1 1 50 50 TYR H H 50 9.870 9.870 8.501 1.369 17818 188 1 . 1 1 51 51 ASP N N 51 120.400 120.400 120.368 0.032 17818 189 1 . 1 1 51 51 ASP HA H 51 4.950 4.950 4.858 0.092 17818 190 1 . 1 1 51 51 ASP CA C 51 54.400 54.400 53.216 1.184 17818 191 1 . 1 1 51 51 ASP CB C 51 44.900 44.900 45.045 -0.145 17818 192 1 . 1 1 51 51 ASP H H 51 8.840 8.840 8.595 0.245 17818 193 1 . 1 1 52 52 GLY N N 52 112.500 112.500 109.840 2.660 17818 194 1 . 1 1 52 52 GLY CA C 52 45.300 45.300 44.435 0.865 17818 195 1 . 1 1 52 52 GLY H H 52 9.130 9.130 8.429 0.701 17818 196 1 . 1 1 53 53 ARG N N 53 125.200 125.200 123.307 1.893 17818 197 1 . 1 1 53 53 ARG HA H 53 5.030 5.030 4.589 0.441 17818 198 1 . 1 1 53 53 ARG CA C 53 53.900 53.900 54.693 -0.793 17818 199 1 . 1 1 53 53 ARG CB C 53 34.800 34.800 34.492 0.308 17818 200 1 . 1 1 53 53 ARG H H 53 9.370 9.370 8.497 0.873 17818 201 1 . 1 1 54 54 PHE N N 54 119.400 119.400 122.780 -3.380 17818 202 1 . 1 1 54 54 PHE HA H 54 4.240 4.240 4.922 -0.682 17818 203 1 . 1 1 54 54 PHE CA C 54 57.300 57.300 56.371 0.929 17818 204 1 . 1 1 54 54 PHE CB C 54 37.700 37.700 38.844 -1.144 17818 205 1 . 1 1 54 54 PHE H H 54 8.770 8.770 8.948 -0.177 17818 206 1 . 1 1 55 55 PRO HA H 55 4.280 4.280 4.257 0.023 17818 207 1 . 1 1 55 55 PRO CA C 55 65.700 65.700 64.982 0.718 17818 208 1 . 1 1 55 55 PRO CB C 55 31.800 31.800 31.639 0.161 17818 209 1 . 1 1 56 56 ASP N N 56 113.600 113.600 116.618 -3.018 17818 210 1 . 1 1 56 56 ASP HA H 56 4.470 4.470 4.510 -0.040 17818 211 1 . 1 1 56 56 ASP CA C 56 53.900 53.900 54.593 -0.693 17818 212 1 . 1 1 56 56 ASP CB C 56 39.800 39.800 40.787 -0.987 17818 213 1 . 1 1 56 56 ASP H H 56 7.780 7.780 8.245 -0.465 17818 214 1 . 1 1 57 57 GLY N N 57 108.700 108.700 107.561 1.139 17818 215 1 . 1 1 57 57 GLY CA C 57 44.900 44.900 44.800 0.100 17818 216 1 . 1 1 57 57 GLY H H 57 8.440 8.440 8.034 0.406 17818 217 1 . 1 1 58 58 LYS N N 58 122.800 122.800 121.977 0.823 17818 218 1 . 1 1 58 58 LYS HA H 58 4.250 4.250 4.480 -0.230 17818 219 1 . 1 1 58 58 LYS CA C 58 57.500 57.500 55.959 1.541 17818 220 1 . 1 1 58 58 LYS CB C 58 32.600 32.600 33.655 -1.055 17818 221 1 . 1 1 58 58 LYS H H 58 8.230 8.230 8.019 0.211 17818 222 1 . 1 1 59 59 GLN N N 59 125.800 125.800 121.911 3.889 17818 223 1 . 1 1 59 59 GLN HA H 59 4.450 4.450 4.674 -0.224 17818 224 1 . 1 1 59 59 GLN CA C 59 56.300 56.300 55.150 1.150 17818 225 1 . 1 1 59 59 GLN CB C 59 30.900 30.900 30.693 0.207 17818 226 1 . 1 1 59 59 GLN H H 59 8.810 8.810 8.407 0.403 17818 227 1 . 1 1 60 60 PHE N N 60 121.200 121.200 120.893 0.307 17818 228 1 . 1 1 60 60 PHE HA H 60 5.100 5.100 4.671 0.429 17818 229 1 . 1 1 60 60 PHE CA C 60 56.500 56.500 59.196 -2.696 17818 230 1 . 1 1 60 60 PHE CB C 60 40.900 40.900 39.871 1.029 17818 231 1 . 1 1 60 60 PHE H H 60 8.340 8.340 8.690 -0.350 17818 232 1 . 1 1 61 61 ASP N N 61 119.100 119.100 117.889 1.211 17818 233 1 . 1 1 61 61 ASP CA C 61 54.700 54.700 53.608 1.092 17818 234 1 . 1 1 61 61 ASP CB C 61 44.200 44.200 43.091 1.109 17818 235 1 . 1 1 61 61 ASP H H 61 7.030 7.030 7.432 -0.402 17818 236 1 . 1 1 62 62 SER N N 62 117.400 117.400 119.263 -1.863 17818 237 1 . 1 1 62 62 SER CA C 62 57.000 57.000 57.619 -0.619 17818 238 1 . 1 1 62 62 SER CB C 62 64.800 64.800 63.303 1.497 17818 239 1 . 1 1 62 62 SER H H 62 8.100 8.100 8.530 -0.430 17818 240 1 . 1 1 63 63 SER N N 63 123.600 123.600 123.246 0.354 17818 241 1 . 1 1 63 63 SER HA H 63 4.200 4.200 4.385 -0.185 17818 242 1 . 1 1 63 63 SER CA C 63 61.300 61.300 60.752 0.548 17818 243 1 . 1 1 63 63 SER CB C 63 61.300 61.300 63.349 -2.049 17818 244 1 . 1 1 63 63 SER H H 63 8.070 8.070 8.735 -0.665 17818 245 1 . 1 1 64 64 ARG N N 64 124.000 124.000 120.962 3.038 17818 246 1 . 1 1 64 64 ARG HA H 64 3.620 3.620 4.034 -0.414 17818 247 1 . 1 1 64 64 ARG CA C 64 59.300 59.300 58.849 0.451 17818 248 1 . 1 1 64 64 ARG CB C 64 28.800 28.800 29.298 -0.498 17818 249 1 . 1 1 64 64 ARG H H 64 8.810 8.810 8.454 0.356 17818 250 1 . 1 1 65 65 SER N N 65 114.600 114.600 115.173 -0.573 17818 251 1 . 1 1 65 65 SER HA H 65 4.190 4.190 4.338 -0.148 17818 252 1 . 1 1 65 65 SER CA C 65 60.700 60.700 60.209 0.492 17818 253 1 . 1 1 65 65 SER CB C 65 62.700 62.700 62.880 -0.180 17818 254 1 . 1 1 65 65 SER H H 65 7.800 7.800 8.036 -0.236 17818 255 1 . 1 1 66 66 ARG N N 66 118.000 118.000 119.262 -1.262 17818 256 1 . 1 1 66 66 ARG HA H 66 4.420 4.420 4.323 0.097 17818 257 1 . 1 1 66 66 ARG CA C 66 57.100 57.100 55.764 1.336 17818 258 1 . 1 1 66 66 ARG CB C 66 31.500 31.500 30.263 1.237 17818 259 1 . 1 1 66 66 ARG H H 66 7.110 7.110 7.453 -0.343 17818 260 1 . 1 1 67 67 GLY N N 67 106.700 106.700 107.994 -1.294 17818 261 1 . 1 1 67 67 GLY CA C 67 45.800 45.800 45.627 0.173 17818 262 1 . 1 1 67 67 GLY H H 67 7.800 7.800 7.735 0.065 17818 263 1 . 1 1 68 68 LYS N N 68 117.600 117.600 121.175 -3.575 17818 264 1 . 1 1 68 68 LYS HA H 68 5.010 5.010 4.704 0.306 17818 265 1 . 1 1 68 68 LYS CA C 68 53.100 53.100 53.266 -0.166 17818 266 1 . 1 1 68 68 LYS CB C 68 34.900 34.900 33.755 1.145 17818 267 1 . 1 1 68 68 LYS H H 68 7.440 7.440 7.789 -0.349 17818 268 1 . 1 1 69 69 PRO HA H 69 4.060 4.060 4.798 -0.738 17818 269 1 . 1 1 69 69 PRO CA C 69 62.700 62.700 62.035 0.665 17818 270 1 . 1 1 69 69 PRO CB C 69 32.300 32.300 32.646 -0.346 17818 271 1 . 1 1 70 70 PHE N N 70 123.200 123.200 120.435 2.765 17818 272 1 . 1 1 70 70 PHE HA H 70 5.040 5.040 4.905 0.135 17818 273 1 . 1 1 70 70 PHE CA C 70 57.100 57.100 57.144 -0.044 17818 274 1 . 1 1 70 70 PHE CB C 70 42.900 42.900 43.031 -0.131 17818 275 1 . 1 1 70 70 PHE H H 70 9.180 9.180 8.964 0.216 17818 276 1 . 1 1 71 71 GLN N N 71 126.000 126.000 123.736 2.264 17818 277 1 . 1 1 71 71 GLN HA H 71 5.750 5.750 5.439 0.311 17818 278 1 . 1 1 71 71 GLN CA C 71 53.300 53.300 54.386 -1.086 17818 279 1 . 1 1 71 71 GLN CB C 71 32.900 32.900 31.712 1.188 17818 280 1 . 1 1 71 71 GLN H H 71 8.020 8.020 8.053 -0.033 17818 281 1 . 1 1 72 72 PHE N N 72 116.800 116.800 119.197 -2.397 17818 282 1 . 1 1 72 72 PHE HA H 72 4.700 4.700 4.938 -0.238 17818 283 1 . 1 1 72 72 PHE CA C 72 55.500 55.500 56.275 -0.775 17818 284 1 . 1 1 72 72 PHE CB C 72 40.900 40.900 41.394 -0.494 17818 285 1 . 1 1 72 72 PHE H H 72 8.110 8.110 8.894 -0.784 17818 286 1 . 1 1 73 73 THR N N 73 118.800 118.800 118.511 0.289 17818 287 1 . 1 1 73 73 THR HA H 73 3.960 3.960 4.429 -0.469 17818 288 1 . 1 1 73 73 THR CA C 73 62.600 62.600 63.132 -0.532 17818 289 1 . 1 1 73 73 THR CB C 73 67.500 67.500 68.630 -1.130 17818 290 1 . 1 1 73 73 THR H H 73 9.080 9.080 8.748 0.332 17818 291 1 . 1 1 74 74 LEU N N 74 132.500 132.500 129.071 3.429 17818 292 1 . 1 1 74 74 LEU HA H 74 4.140 4.140 3.987 0.153 17818 293 1 . 1 1 74 74 LEU CA C 74 56.800 56.800 55.769 1.031 17818 294 1 . 1 1 74 74 LEU CB C 74 41.800 41.800 42.456 -0.656 17818 295 1 . 1 1 74 74 LEU H H 74 8.220 8.220 8.375 -0.155 17818 296 1 . 1 1 75 75 GLY N N 75 118.100 118.100 113.813 4.287 17818 297 1 . 1 1 75 75 GLY CA C 75 46.200 46.200 45.148 1.052 17818 298 1 . 1 1 75 75 GLY H H 75 9.850 9.850 8.982 0.868 17818 299 1 . 1 1 76 76 ALA N N 76 120.600 120.600 122.984 -2.384 17818 300 1 . 1 1 76 76 ALA HA H 76 4.500 4.500 4.681 -0.181 17818 301 1 . 1 1 76 76 ALA CA C 76 51.900 51.900 51.198 0.702 17818 302 1 . 1 1 76 76 ALA CB C 76 20.200 20.200 20.632 -0.432 17818 303 1 . 1 1 76 76 ALA H H 76 7.550 7.550 7.709 -0.159 17818 304 1 . 1 1 77 77 GLY N N 77 110.500 110.500 106.626 3.874 17818 305 1 . 1 1 77 77 GLY CA C 77 46.400 46.400 45.462 0.938 17818 306 1 . 1 1 77 77 GLY H H 77 8.790 8.790 8.645 0.145 17818 307 1 . 1 1 78 78 GLU N N 78 119.400 119.400 120.052 -0.652 17818 308 1 . 1 1 78 78 GLU HA H 78 4.150 4.150 4.280 -0.130 17818 309 1 . 1 1 78 78 GLU CA C 78 57.200 57.200 57.519 -0.319 17818 310 1 . 1 1 78 78 GLU CB C 78 30.900 30.900 30.175 0.725 17818 311 1 . 1 1 78 78 GLU H H 78 9.240 9.240 8.395 0.845 17818 312 1 . 1 1 79 79 VAL N N 79 108.600 108.600 113.553 -4.953 17818 313 1 . 1 1 79 79 VAL HA H 79 4.220 4.220 4.438 -0.218 17818 314 1 . 1 1 79 79 VAL CA C 79 57.300 57.300 59.919 -2.619 17818 315 1 . 1 1 79 79 VAL CB C 79 35.400 35.400 34.259 1.141 17818 316 1 . 1 1 79 79 VAL H H 79 6.760 6.760 7.397 -0.637 17818 317 1 . 1 1 80 80 ILE N N 80 111.800 111.800 115.090 -3.290 17818 318 1 . 1 1 80 80 ILE HA H 80 3.800 3.800 4.061 -0.261 17818 319 1 . 1 1 80 80 ILE CA C 80 61.800 61.800 61.109 0.691 17818 320 1 . 1 1 80 80 ILE CB C 80 38.000 38.000 38.494 -0.494 17818 321 1 . 1 1 80 80 ILE H H 80 7.300 7.300 7.878 -0.578 17818 322 1 . 1 1 81 81 LYS N N 81 124.700 124.700 125.090 -0.390 17818 323 1 . 1 1 81 81 LYS HA H 81 4.160 4.160 3.996 0.164 17818 324 1 . 1 1 81 81 LYS CA C 81 59.700 59.700 58.844 0.856 17818 325 1 . 1 1 81 81 LYS CB C 81 32.800 32.800 31.572 1.228 17818 326 1 . 1 1 81 81 LYS H H 81 8.880 8.880 8.729 0.151 17818 327 1 . 1 1 82 82 GLY N N 82 101.700 101.700 107.542 -5.843 17818 328 1 . 1 1 82 82 GLY CA C 82 47.300 47.300 47.110 0.190 17818 329 1 . 1 1 82 82 GLY H H 82 9.580 9.580 8.067 1.513 17818 330 1 . 1 1 83 83 TRP N N 83 119.300 119.300 121.820 -2.520 17818 331 1 . 1 1 83 83 TRP HA H 83 4.010 4.010 4.385 -0.375 17818 332 1 . 1 1 83 83 TRP CA C 83 59.300 59.300 57.218 2.081 17818 333 1 . 1 1 83 83 TRP CB C 83 29.100 29.100 28.582 0.518 17818 334 1 . 1 1 83 83 TRP H H 83 7.450 7.450 7.314 0.136 17818 335 1 . 1 1 84 84 ASP N N 84 120.900 120.900 120.195 0.705 17818 336 1 . 1 1 84 84 ASP HA H 84 4.000 4.000 4.429 -0.429 17818 337 1 . 1 1 84 84 ASP CA C 84 58.200 58.200 58.082 0.118 17818 338 1 . 1 1 84 84 ASP CB C 84 41.000 41.000 40.897 0.103 17818 339 1 . 1 1 84 84 ASP H H 84 7.120 7.120 8.413 -1.293 17818 340 1 . 1 1 85 85 GLN N N 85 114.500 114.500 118.744 -4.244 17818 341 1 . 1 1 85 85 GLN HA H 85 4.000 4.000 4.062 -0.062 17818 342 1 . 1 1 85 85 GLN CA C 85 58.200 58.200 58.335 -0.135 17818 343 1 . 1 1 85 85 GLN CB C 85 28.900 28.900 28.787 0.112 17818 344 1 . 1 1 85 85 GLN H H 85 8.360 8.360 8.167 0.193 17818 345 1 . 1 1 86 86 GLY N N 86 106.300 106.300 107.923 -1.623 17818 346 1 . 1 1 86 86 GLY CA C 86 47.700 47.700 46.789 0.911 17818 347 1 . 1 1 86 86 GLY H H 86 7.960 7.960 7.906 0.054 17818 348 1 . 1 1 87 87 VAL N N 87 125.300 125.300 119.672 5.627 17818 349 1 . 1 1 87 87 VAL HA H 87 3.630 3.630 3.953 -0.323 17818 350 1 . 1 1 87 87 VAL CA C 87 66.400 66.400 64.352 2.048 17818 351 1 . 1 1 87 87 VAL CB C 87 30.300 30.300 31.878 -1.578 17818 352 1 . 1 1 87 87 VAL H H 87 9.090 9.090 8.038 1.052 17818 353 1 . 1 1 88 88 ALA N N 88 116.500 116.500 122.475 -5.975 17818 354 1 . 1 1 88 88 ALA HA H 88 3.990 3.990 4.153 -0.163 17818 355 1 . 1 1 88 88 ALA CA C 88 54.300 54.300 54.614 -0.314 17818 356 1 . 1 1 88 88 ALA CB C 88 18.600 18.600 18.547 0.054 17818 357 1 . 1 1 88 88 ALA H H 88 6.750 6.750 7.959 -1.209 17818 358 1 . 1 1 89 89 THR N N 89 105.500 105.500 112.580 -7.080 17818 359 1 . 1 1 89 89 THR HA H 89 4.520 4.520 4.367 0.153 17818 360 1 . 1 1 89 89 THR CA C 89 62.300 62.300 62.573 -0.273 17818 361 1 . 1 1 89 89 THR CB C 89 71.100 71.100 69.059 2.041 17818 362 1 . 1 1 89 89 THR H H 89 7.400 7.400 8.039 -0.639 17818 363 1 . 1 1 90 90 MET N N 90 122.400 122.400 117.573 4.827 17818 364 1 . 1 1 90 90 MET CA C 90 56.200 56.200 54.432 1.768 17818 365 1 . 1 1 90 90 MET CB C 90 36.800 36.800 35.860 0.940 17818 366 1 . 1 1 90 90 MET H H 90 7.550 7.550 7.396 0.154 17818 367 1 . 1 1 91 91 THR N N 91 105.200 105.200 109.371 -4.171 17818 368 1 . 1 1 91 91 THR HA H 91 5.120 5.120 4.692 0.428 17818 369 1 . 1 1 91 91 THR CA C 91 59.800 59.800 59.626 0.174 17818 370 1 . 1 1 91 91 THR CB C 91 71.900 71.900 72.184 -0.284 17818 371 1 . 1 1 91 91 THR H H 91 7.350 7.350 8.295 -0.945 17818 372 1 . 1 1 92 92 LEU N N 92 121.200 121.200 121.589 -0.389 17818 373 1 . 1 1 92 92 LEU HA H 92 3.600 3.600 3.946 -0.346 17818 374 1 . 1 1 92 92 LEU CA C 92 58.100 58.100 55.926 2.174 17818 375 1 . 1 1 92 92 LEU CB C 92 43.400 43.400 42.634 0.766 17818 376 1 . 1 1 92 92 LEU H H 92 8.180 8.180 8.185 -0.005 17818 377 1 . 1 1 93 93 GLY N N 93 115.800 115.800 112.655 3.145 17818 378 1 . 1 1 93 93 GLY CA C 93 44.700 44.700 45.233 -0.532 17818 379 1 . 1 1 93 93 GLY H H 93 8.490 8.490 8.874 -0.384 17818 380 1 . 1 1 94 94 GLU N N 94 123.700 123.700 120.598 3.102 17818 381 1 . 1 1 94 94 GLU HA H 94 4.290 4.290 4.943 -0.653 17818 382 1 . 1 1 94 94 GLU CA C 94 56.100 56.100 54.818 1.282 17818 383 1 . 1 1 94 94 GLU CB C 94 33.500 33.500 33.168 0.332 17818 384 1 . 1 1 94 94 GLU H H 94 8.650 8.650 7.676 0.974 17818 385 1 . 1 1 95 95 LYS N N 95 124.200 124.200 125.813 -1.613 17818 386 1 . 1 1 95 95 LYS HA H 95 5.560 5.560 5.238 0.322 17818 387 1 . 1 1 95 95 LYS CA C 95 54.600 54.600 55.055 -0.454 17818 388 1 . 1 1 95 95 LYS CB C 95 35.300 35.300 36.099 -0.799 17818 389 1 . 1 1 95 95 LYS H H 95 8.950 8.950 8.829 0.121 17818 390 1 . 1 1 96 96 ALA N N 96 129.100 129.100 128.605 0.495 17818 391 1 . 1 1 96 96 ALA HA H 96 4.990 4.990 5.169 -0.179 17818 392 1 . 1 1 96 96 ALA CA C 96 50.500 50.500 50.348 0.152 17818 393 1 . 1 1 96 96 ALA CB C 96 23.900 23.900 23.142 0.758 17818 394 1 . 1 1 96 96 ALA H H 96 9.530 9.530 9.264 0.266 17818 395 1 . 1 1 97 97 LEU N N 97 122.200 122.200 122.979 -0.779 17818 396 1 . 1 1 97 97 LEU HA H 97 5.180 5.180 4.729 0.451 17818 397 1 . 1 1 97 97 LEU CA C 97 53.000 53.000 54.195 -1.195 17818 398 1 . 1 1 97 97 LEU CB C 97 45.800 45.800 43.197 2.603 17818 399 1 . 1 1 97 97 LEU H H 97 9.100 9.100 8.765 0.335 17818 400 1 . 1 1 98 98 PHE N N 98 125.800 125.800 129.651 -3.851 17818 401 1 . 1 1 98 98 PHE HA H 98 5.700 5.700 5.511 0.189 17818 402 1 . 1 1 98 98 PHE CA C 98 56.500 56.500 55.654 0.846 17818 403 1 . 1 1 98 98 PHE CB C 98 42.300 42.300 43.074 -0.774 17818 404 1 . 1 1 98 98 PHE H H 98 9.940 9.940 9.351 0.589 17818 405 1 . 1 1 99 99 THR N N 99 121.600 121.600 124.835 -3.235 17818 406 1 . 1 1 99 99 THR CA C 99 63.500 63.500 62.887 0.613 17818 407 1 . 1 1 99 99 THR CB C 99 68.600 68.600 68.688 -0.088 17818 408 1 . 1 1 99 99 THR H H 99 9.100 9.100 8.515 0.585 17818 409 1 . 1 1 100 100 ILE N N 100 127.400 127.400 129.099 -1.699 17818 410 1 . 1 1 100 100 ILE CA C 100 58.700 58.700 56.931 1.769 17818 411 1 . 1 1 100 100 ILE CB C 100 39.400 39.400 37.819 1.581 17818 412 1 . 1 1 100 100 ILE H H 100 9.880 9.880 9.007 0.873 17818 413 1 . 1 1 101 101 PRO CA C 101 62.200 62.200 62.414 -0.214 17818 414 1 . 1 1 101 101 PRO CB C 101 32.500 32.500 31.890 0.610 17818 415 1 . 1 1 102 102 TYR N N 102 118.100 118.100 120.866 -2.766 17818 416 1 . 1 1 102 102 TYR HA H 102 4.470 4.470 4.056 0.414 17818 417 1 . 1 1 102 102 TYR CA C 102 61.100 61.100 60.705 0.395 17818 418 1 . 1 1 102 102 TYR CB C 102 37.000 37.000 37.124 -0.124 17818 419 1 . 1 1 102 102 TYR H H 102 8.450 8.450 8.380 0.070 17818 420 1 . 1 1 103 103 GLN N N 103 123.800 123.800 116.857 6.943 17818 421 1 . 1 1 103 103 GLN HA H 103 4.050 4.050 3.969 0.082 17818 422 1 . 1 1 103 103 GLN CA C 103 59.500 59.500 57.412 2.088 17818 423 1 . 1 1 103 103 GLN CB C 103 27.300 27.300 27.990 -0.690 17818 424 1 . 1 1 103 103 GLN H H 103 9.080 9.080 7.654 1.426 17818 425 1 . 1 1 104 104 LEU N N 104 116.800 116.800 118.159 -1.359 17818 426 1 . 1 1 104 104 LEU HA H 104 4.520 4.520 4.440 0.080 17818 427 1 . 1 1 104 104 LEU CA C 104 53.100 53.100 54.073 -0.973 17818 428 1 . 1 1 104 104 LEU CB C 104 43.400 43.400 41.883 1.517 17818 429 1 . 1 1 104 104 LEU H H 104 7.790 7.790 7.553 0.237 17818 430 1 . 1 1 105 105 ALA N N 105 125.400 125.400 120.510 4.890 17818 431 1 . 1 1 105 105 ALA HA H 105 4.470 4.470 4.410 0.060 17818 432 1 . 1 1 105 105 ALA CA C 105 51.000 51.000 51.623 -0.623 17818 433 1 . 1 1 105 105 ALA CB C 105 18.900 18.900 20.133 -1.233 17818 434 1 . 1 1 105 105 ALA H H 105 7.780 7.780 7.279 0.501 17818 435 1 . 1 1 106 106 TYR N N 106 122.000 122.000 117.522 4.478 17818 436 1 . 1 1 106 106 TYR HA H 106 4.610 4.610 4.434 0.176 17818 437 1 . 1 1 106 106 TYR CA C 106 59.300 59.300 58.483 0.817 17818 438 1 . 1 1 106 106 TYR CB C 106 37.400 37.400 37.942 -0.542 17818 439 1 . 1 1 106 106 TYR H H 106 9.430 9.430 8.521 0.909 17818 440 1 . 1 1 107 107 GLY N N 107 105.500 105.500 108.662 -3.162 17818 441 1 . 1 1 107 107 GLY CA C 107 46.500 46.500 46.238 0.262 17818 442 1 . 1 1 107 107 GLY H H 107 8.490 8.490 8.100 0.390 17818 443 1 . 1 1 108 108 GLU HA H 108 3.510 3.510 4.189 -0.679 17818 444 1 . 1 1 108 108 GLU CA C 108 59.500 59.500 59.557 -0.057 17818 445 1 . 1 1 108 108 GLU CB C 108 29.600 29.600 29.635 -0.035 17818 446 1 . 1 1 109 109 ARG N N 109 115.900 115.900 118.552 -2.652 17818 447 1 . 1 1 109 109 ARG HA H 109 4.180 4.180 4.174 0.006 17818 448 1 . 1 1 109 109 ARG CA C 109 57.400 57.400 56.024 1.376 17818 449 1 . 1 1 109 109 ARG CB C 109 30.700 30.700 31.094 -0.394 17818 450 1 . 1 1 109 109 ARG H H 109 8.840 8.840 7.717 1.123 17818 451 1 . 1 1 110 110 GLY N N 110 130.700 130.700 107.292 23.408 17818 452 1 . 1 1 110 110 GLY CA C 110 44.800 44.800 45.577 -0.777 17818 453 1 . 1 1 110 110 GLY H H 110 7.140 7.140 8.108 -0.968 17818 454 1 . 1 1 111 111 TYR N N 111 119.700 119.700 120.313 -0.613 17818 455 1 . 1 1 111 111 TYR CA C 111 54.500 54.500 59.418 -4.918 17818 456 1 . 1 1 111 111 TYR CB C 111 38.600 38.600 37.736 0.864 17818 457 1 . 1 1 111 111 TYR H H 111 8.570 8.570 8.413 0.157 17818 458 1 . 1 1 113 113 PRO CA C 113 63.800 63.800 64.546 -0.746 17818 459 1 . 1 1 113 113 PRO CB C 113 34.300 34.300 31.727 2.573 17818 460 1 . 1 1 114 114 VAL N N 114 122.900 122.900 114.868 8.032 17818 461 1 . 1 1 114 114 VAL HA H 114 3.850 3.850 3.988 -0.138 17818 462 1 . 1 1 114 114 VAL CA C 114 65.600 65.600 63.714 1.886 17818 463 1 . 1 1 114 114 VAL CB C 114 33.000 33.000 32.062 0.938 17818 464 1 . 1 1 114 114 VAL H H 114 7.870 7.870 7.765 0.105 17818 465 1 . 1 1 115 115 ILE N N 115 118.100 118.100 121.422 -3.322 17818 466 1 . 1 1 115 115 ILE CA C 115 56.300 56.300 57.125 -0.825 17818 467 1 . 1 1 115 115 ILE CB C 115 37.700 37.700 37.847 -0.147 17818 468 1 . 1 1 115 115 ILE H H 115 7.550 7.550 7.820 -0.270 17818 469 1 . 1 1 117 117 PRO HA H 117 3.620 3.620 4.279 -0.659 17818 470 1 . 1 1 117 117 PRO CA C 117 63.400 63.400 63.326 0.074 17818 471 1 . 1 1 117 117 PRO CB C 117 32.800 32.800 32.009 0.791 17818 472 1 . 1 1 118 118 LYS N N 118 115.100 115.100 116.080 -0.980 17818 473 1 . 1 1 118 118 LYS HA H 118 2.580 2.580 3.484 -0.904 17818 474 1 . 1 1 118 118 LYS CA C 118 57.900 57.900 57.017 0.883 17818 475 1 . 1 1 118 118 LYS CB C 118 29.700 29.700 30.031 -0.331 17818 476 1 . 1 1 118 118 LYS H H 118 7.330 7.330 8.324 -0.994 17818 477 1 . 1 1 119 119 ALA N N 119 121.900 121.900 121.390 0.510 17818 478 1 . 1 1 119 119 ALA HA H 119 4.450 4.450 4.504 -0.054 17818 479 1 . 1 1 119 119 ALA CA C 119 52.700 52.700 51.469 1.231 17818 480 1 . 1 1 119 119 ALA CB C 119 20.100 20.100 20.314 -0.214 17818 481 1 . 1 1 119 119 ALA H H 119 7.900 7.900 7.817 0.083 17818 482 1 . 1 1 120 120 THR N N 120 121.800 121.800 119.932 1.868 17818 483 1 . 1 1 120 120 THR CA C 120 63.100 63.100 63.326 -0.226 17818 484 1 . 1 1 120 120 THR CB C 120 69.800 69.800 69.512 0.288 17818 485 1 . 1 1 120 120 THR H H 120 8.170 8.170 8.395 -0.225 17818 486 1 . 1 1 121 121 LEU N N 121 124.200 124.200 127.493 -3.293 17818 487 1 . 1 1 121 121 LEU CA C 121 53.100 53.100 52.889 0.211 17818 488 1 . 1 1 121 121 LEU CB C 121 46.300 46.300 46.005 0.295 17818 489 1 . 1 1 121 121 LEU H H 121 8.640 8.640 8.960 -0.320 17818 490 1 . 1 1 122 122 VAL N N 122 122.200 122.200 122.910 -0.710 17818 491 1 . 1 1 122 122 VAL HA H 122 5.290 5.290 4.454 0.836 17818 492 1 . 1 1 122 122 VAL CA C 122 60.700 60.700 61.779 -1.079 17818 493 1 . 1 1 122 122 VAL CB C 122 33.300 33.300 32.695 0.605 17818 494 1 . 1 1 122 122 VAL H H 122 8.860 8.860 8.553 0.307 17818 495 1 . 1 1 123 123 PHE N N 123 122.900 122.900 126.449 -3.549 17818 496 1 . 1 1 123 123 PHE HA H 123 5.400 5.400 5.348 0.052 17818 497 1 . 1 1 123 123 PHE CA C 123 55.400 55.400 56.220 -0.820 17818 498 1 . 1 1 123 123 PHE CB C 123 44.000 44.000 42.568 1.432 17818 499 1 . 1 1 123 123 PHE H H 123 9.620 9.620 9.463 0.158 17818 500 1 . 1 1 124 124 GLU N N 124 125.500 125.500 125.224 0.276 17818 501 1 . 1 1 124 124 GLU HA H 124 5.900 5.900 4.806 1.094 17818 502 1 . 1 1 124 124 GLU CA C 124 55.600 55.600 56.411 -0.811 17818 503 1 . 1 1 124 124 GLU CB C 124 31.800 31.800 30.117 1.683 17818 504 1 . 1 1 124 124 GLU H H 124 9.180 9.180 8.876 0.304 17818 505 1 . 1 1 125 125 VAL N N 125 128.100 128.100 120.990 7.110 17818 506 1 . 1 1 125 125 VAL CA C 125 61.300 61.300 59.959 1.341 17818 507 1 . 1 1 125 125 VAL CB C 125 35.800 35.800 33.953 1.847 17818 508 1 . 1 1 125 125 VAL H H 125 9.600 9.600 9.012 0.588 17818 509 1 . 1 1 126 126 GLU N N 126 128.500 128.500 125.710 2.790 17818 510 1 . 1 1 126 126 GLU HA H 126 5.630 5.630 5.121 0.509 17818 511 1 . 1 1 126 126 GLU CA C 126 53.500 53.500 54.613 -1.113 17818 512 1 . 1 1 126 126 GLU CB C 126 34.000 34.000 34.165 -0.165 17818 513 1 . 1 1 126 126 GLU H H 126 9.420 9.420 8.859 0.561 17818 514 1 . 1 1 127 127 LEU N N 127 127.900 127.900 128.437 -0.537 17818 515 1 . 1 1 127 127 LEU CA C 127 55.100 55.100 53.974 1.126 17818 516 1 . 1 1 127 127 LEU CB C 127 41.400 41.400 42.195 -0.795 17818 517 1 . 1 1 127 127 LEU H H 127 8.720 8.720 8.981 -0.261 17818 518 1 . 1 1 128 128 LEU N N 128 128.700 128.700 128.609 0.091 17818 519 1 . 1 1 128 128 LEU HA H 128 4.400 4.400 4.479 -0.079 17818 520 1 . 1 1 128 128 LEU CA C 128 55.900 55.900 55.545 0.355 17818 521 1 . 1 1 128 128 LEU CB C 128 43.700 43.700 42.190 1.510 17818 522 1 . 1 1 128 128 LEU H H 128 8.690 8.690 8.859 -0.169 17818 523 1 . 1 1 129 129 ALA N N 129 118.600 118.600 117.571 1.029 17818 524 1 . 1 1 129 129 ALA HA H 129 4.460 4.460 4.538 -0.078 17818 525 1 . 1 1 129 129 ALA CA C 129 52.800 52.800 51.598 1.202 17818 526 1 . 1 1 129 129 ALA CB C 129 21.100 21.100 21.659 -0.558 17818 527 1 . 1 1 129 129 ALA H H 129 7.810 7.810 7.906 -0.096 17818 stop_ save_