data_18812 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18812 _Entry.PDB_ID 2M0N 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 18812 _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 10 10 GLY C C 10 174.100 174.100 173.546 0.554 18812 2 1 1 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.478 -0.178 18812 3 1 1 . 1 1 10 10 GLY H H 10 8.500 8.500 7.883 0.617 18812 4 1 1 . 1 1 11 11 THR N N 11 113.700 113.700 113.282 0.418 18812 5 1 1 . 1 1 11 11 THR HA H 11 4.350 4.350 4.425 -0.075 18812 6 1 1 . 1 1 11 11 THR C C 11 174.700 174.700 174.871 -0.171 18812 7 1 1 . 1 1 11 11 THR CA C 11 62.000 62.000 61.785 0.215 18812 8 1 1 . 1 1 11 11 THR CB C 11 69.800 69.800 69.323 0.477 18812 9 1 1 . 1 1 11 11 THR H H 11 8.100 8.100 7.948 0.152 18812 10 1 1 . 1 1 12 12 LEU N N 12 124.100 124.100 125.219 -1.119 18812 11 1 1 . 1 1 12 12 LEU C C 12 177.600 177.600 175.929 1.671 18812 12 1 1 . 1 1 12 12 LEU CA C 12 55.400 55.400 54.419 0.981 18812 13 1 1 . 1 1 12 12 LEU CB C 12 42.000 42.000 40.689 1.311 18812 14 1 1 . 1 1 12 12 LEU H H 12 8.380 8.380 7.728 0.652 18812 15 1 1 . 1 1 13 13 GLU N N 13 121.500 121.500 124.051 -2.551 18812 16 1 1 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.288 -0.068 18812 17 1 1 . 1 1 13 13 GLU C C 13 176.300 176.300 176.429 -0.129 18812 18 1 1 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.931 0.969 18812 19 1 1 . 1 1 13 13 GLU CB C 13 29.600 29.600 29.187 0.413 18812 20 1 1 . 1 1 13 13 GLU H H 13 8.440 8.440 8.197 0.243 18812 21 1 1 . 1 1 14 14 ALA N N 14 124.300 124.300 129.727 -5.427 18812 22 1 1 . 1 1 14 14 ALA CA C 14 52.600 52.600 51.977 0.623 18812 23 1 1 . 1 1 14 14 ALA CB C 14 19.000 19.000 19.606 -0.606 18812 24 1 1 . 1 1 14 14 ALA H H 14 8.280 8.280 8.436 -0.156 18812 25 1 1 . 1 1 15 15 GLN N N 15 118.700 118.700 121.178 -2.478 18812 26 1 1 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.839 -0.439 18812 27 1 1 . 1 1 15 15 GLN C C 15 176.300 176.300 174.913 1.387 18812 28 1 1 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.919 -0.119 18812 29 1 1 . 1 1 15 15 GLN CB C 15 29.300 29.300 30.423 -1.123 18812 30 1 1 . 1 1 15 15 GLN H H 15 8.360 8.360 8.889 -0.529 18812 31 1 1 . 1 1 16 16 THR N N 16 114.800 114.800 112.259 2.541 18812 32 1 1 . 1 1 16 16 THR C C 16 174.400 174.400 173.442 0.958 18812 33 1 1 . 1 1 16 16 THR CA C 16 62.000 62.000 61.712 0.288 18812 34 1 1 . 1 1 16 16 THR CB C 16 69.700 69.700 69.387 0.313 18812 35 1 1 . 1 1 16 16 THR H H 16 8.200 8.200 7.966 0.234 18812 36 1 1 . 1 1 17 17 GLN N N 17 122.200 122.200 122.056 0.144 18812 37 1 1 . 1 1 17 17 GLN C C 17 175.900 175.900 175.841 0.059 18812 38 1 1 . 1 1 17 17 GLN CA C 17 55.500 55.500 56.189 -0.689 18812 39 1 1 . 1 1 17 17 GLN CB C 17 29.600 29.600 29.814 -0.214 18812 40 1 1 . 1 1 17 17 GLN H H 17 8.430 8.430 8.531 -0.101 18812 41 1 1 . 1 1 18 18 GLY N N 18 110.100 110.100 109.450 0.650 18812 42 1 1 . 1 1 18 18 GLY CA C 18 44.500 44.500 45.245 -0.745 18812 43 1 1 . 1 1 18 18 GLY H H 18 8.360 8.360 7.962 0.398 18812 44 1 1 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.317 0.143 18812 45 1 1 . 1 1 19 19 PRO C C 19 177.700 177.700 176.421 1.279 18812 46 1 1 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.634 -0.034 18812 47 1 1 . 1 1 19 19 PRO CB C 19 31.900 31.900 31.994 -0.094 18812 48 1 1 . 1 1 20 20 GLY N N 20 109.600 109.600 106.281 3.319 18812 49 1 1 . 1 1 20 20 GLY C C 20 174.100 174.100 172.658 1.442 18812 50 1 1 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.447 -0.247 18812 51 1 1 . 1 1 20 20 GLY H H 20 8.630 8.630 7.663 0.967 18812 52 1 1 . 1 1 21 21 SER N N 21 115.300 115.300 118.331 -3.031 18812 53 1 1 . 1 1 21 21 SER HA H 21 4.460 4.460 4.955 -0.495 18812 54 1 1 . 1 1 21 21 SER C C 21 174.100 174.100 172.356 1.744 18812 55 1 1 . 1 1 21 21 SER CA C 21 58.300 58.300 56.554 1.746 18812 56 1 1 . 1 1 21 21 SER CB C 21 63.900 63.900 64.344 -0.444 18812 57 1 1 . 1 1 21 21 SER H H 21 8.150 8.150 8.120 0.030 18812 58 1 1 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.482 -0.042 18812 59 1 1 . 1 1 22 22 PRO C C 22 176.800 176.800 175.386 1.414 18812 60 1 1 . 1 1 22 22 PRO CA C 22 63.100 63.100 63.075 0.025 18812 61 1 1 . 1 1 22 22 PRO CB C 22 32.100 32.100 31.350 0.750 18812 62 1 1 . 1 1 23 23 GLU N N 23 120.900 120.900 124.099 -3.199 18812 63 1 1 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.582 -0.302 18812 64 1 1 . 1 1 23 23 GLU C C 23 177.000 177.000 176.376 0.624 18812 65 1 1 . 1 1 23 23 GLU CA C 23 56.600 56.600 55.511 1.089 18812 66 1 1 . 1 1 23 23 GLU CB C 23 30.400 30.400 32.922 -2.522 18812 67 1 1 . 1 1 23 23 GLU H H 23 8.630 8.630 7.853 0.777 18812 68 1 1 . 1 1 24 24 GLY N N 24 109.800 109.800 111.843 -2.043 18812 69 1 1 . 1 1 24 24 GLY C C 24 173.600 173.600 174.981 -1.381 18812 70 1 1 . 1 1 24 24 GLY CA C 24 45.100 45.100 46.007 -0.907 18812 71 1 1 . 1 1 24 24 GLY H H 24 8.450 8.450 8.521 -0.071 18812 72 1 1 . 1 1 25 25 VAL N N 25 120.600 120.600 119.054 1.546 18812 73 1 1 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.384 0.076 18812 74 1 1 . 1 1 25 25 VAL CA C 25 59.700 59.700 59.460 0.240 18812 75 1 1 . 1 1 25 25 VAL CB C 25 32.600 32.600 31.511 1.089 18812 76 1 1 . 1 1 25 25 VAL H H 25 7.990 7.990 7.485 0.505 18812 77 1 1 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.474 0.046 18812 78 1 1 . 1 1 27 27 PRO C C 27 177.200 177.200 175.684 1.516 18812 79 1 1 . 1 1 27 27 PRO CA C 27 63.100 63.100 62.968 0.132 18812 80 1 1 . 1 1 27 27 PRO CB C 27 32.000 32.000 30.560 1.440 18812 81 1 1 . 1 1 28 28 THR N N 28 113.000 113.000 118.385 -5.385 18812 82 1 1 . 1 1 28 28 THR HA H 28 4.270 4.270 4.321 -0.051 18812 83 1 1 . 1 1 28 28 THR C C 28 174.400 174.400 173.780 0.620 18812 84 1 1 . 1 1 28 28 THR CA C 28 62.000 62.000 61.366 0.634 18812 85 1 1 . 1 1 28 28 THR CB C 28 69.700 69.700 71.101 -1.401 18812 86 1 1 . 1 1 28 28 THR H H 28 8.160 8.160 7.997 0.163 18812 87 1 1 . 1 1 29 29 ASP N N 29 122.100 122.100 125.685 -3.585 18812 88 1 1 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.242 0.338 18812 89 1 1 . 1 1 29 29 ASP CA C 29 54.300 54.300 56.468 -2.168 18812 90 1 1 . 1 1 29 29 ASP CB C 29 40.900 40.900 41.073 -0.173 18812 91 1 1 . 1 1 29 29 ASP H H 29 8.290 8.290 8.632 -0.342 18812 92 1 1 . 1 1 30 30 ARG N N 30 120.300 120.300 119.781 0.519 18812 93 1 1 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.339 -0.149 18812 94 1 1 . 1 1 30 30 ARG C C 30 175.600 175.600 175.300 0.300 18812 95 1 1 . 1 1 30 30 ARG CA C 30 56.200 56.200 55.443 0.757 18812 96 1 1 . 1 1 30 30 ARG CB C 30 30.800 30.800 29.422 1.377 18812 97 1 1 . 1 1 30 30 ARG H H 30 8.070 8.070 7.988 0.082 18812 98 1 1 . 1 1 31 31 PHE N N 31 120.500 120.500 123.424 -2.924 18812 99 1 1 . 1 1 31 31 PHE CB C 31 38.800 38.800 38.437 0.363 18812 100 1 1 . 1 1 31 31 PHE H H 31 8.240 8.240 7.782 0.458 18812 101 1 1 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.294 0.146 18812 102 1 1 . 1 1 32 32 PRO C C 32 177.200 177.200 177.755 -0.555 18812 103 1 1 . 1 1 32 32 PRO CA C 32 63.400 63.400 65.220 -1.820 18812 104 1 1 . 1 1 32 32 PRO CB C 32 31.700 31.700 31.783 -0.083 18812 105 1 1 . 1 1 33 33 LEU N N 33 121.000 121.000 115.587 5.413 18812 106 1 1 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.284 0.046 18812 107 1 1 . 1 1 33 33 LEU CA C 33 55.600 55.600 55.199 0.401 18812 108 1 1 . 1 1 33 33 LEU CB C 33 42.100 42.100 41.461 0.639 18812 109 1 1 . 1 1 33 33 LEU H H 33 8.290 8.290 7.853 0.437 18812 110 1 1 . 1 1 34 34 LEU N N 34 122.100 122.100 119.174 2.926 18812 111 1 1 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.426 -0.116 18812 112 1 1 . 1 1 34 34 LEU C C 34 177.300 177.300 177.161 0.139 18812 113 1 1 . 1 1 34 34 LEU CA C 34 55.200 55.200 54.389 0.811 18812 114 1 1 . 1 1 34 34 LEU CB C 34 41.900 41.900 39.996 1.904 18812 115 1 1 . 1 1 34 34 LEU H H 34 8.110 8.110 7.693 0.417 18812 116 1 1 . 1 1 35 35 ALA N N 35 123.400 123.400 122.299 1.101 18812 117 1 1 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.427 -0.147 18812 118 1 1 . 1 1 35 35 ALA C C 35 177.600 177.600 177.152 0.448 18812 119 1 1 . 1 1 35 35 ALA CA C 35 52.700 52.700 52.302 0.398 18812 120 1 1 . 1 1 35 35 ALA CB C 35 18.800 18.800 19.626 -0.826 18812 121 1 1 . 1 1 35 35 ALA H H 35 8.140 8.140 7.779 0.361 18812 122 1 1 . 1 1 36 36 LEU N N 36 120.000 120.000 121.088 -1.088 18812 123 1 1 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.566 -0.306 18812 124 1 1 . 1 1 36 36 LEU CA C 36 55.500 55.500 54.550 0.950 18812 125 1 1 . 1 1 36 36 LEU CB C 36 42.000 42.000 43.274 -1.274 18812 126 1 1 . 1 1 36 36 LEU H H 36 7.990 7.990 7.436 0.554 18812 127 1 1 . 1 1 37 37 LEU N N 37 122.700 122.700 126.103 -3.403 18812 128 1 1 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.606 -0.226 18812 129 1 1 . 1 1 37 37 LEU C C 37 177.100 177.100 176.070 1.030 18812 130 1 1 . 1 1 37 37 LEU CA C 37 55.000 55.000 54.363 0.637 18812 131 1 1 . 1 1 37 37 LEU CB C 37 42.100 42.100 42.621 -0.521 18812 132 1 1 . 1 1 37 37 LEU H H 37 8.190 8.190 8.432 -0.242 18812 133 1 1 . 1 1 38 38 ARG N N 38 121.600 121.600 123.419 -1.819 18812 134 1 1 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.671 -0.201 18812 135 1 1 . 1 1 38 38 ARG C C 38 176.200 176.200 175.256 0.944 18812 136 1 1 . 1 1 38 38 ARG CA C 38 55.100 55.100 54.072 1.028 18812 137 1 1 . 1 1 38 38 ARG CB C 38 31.200 31.200 32.640 -1.440 18812 138 1 1 . 1 1 38 38 ARG H H 38 8.040 8.040 8.221 -0.181 18812 139 1 1 . 1 1 39 39 ARG N N 39 123.600 123.600 120.129 3.471 18812 140 1 1 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.239 0.131 18812 141 1 1 . 1 1 39 39 ARG C C 39 175.500 175.500 176.390 -0.890 18812 142 1 1 . 1 1 39 39 ARG CA C 39 56.700 56.700 58.868 -2.168 18812 143 1 1 . 1 1 39 39 ARG CB C 39 31.200 31.200 30.559 0.641 18812 144 1 1 . 1 1 39 39 ARG H H 39 8.840 8.840 8.559 0.281 18812 145 1 1 . 1 1 40 40 THR N N 40 113.900 113.900 113.190 0.710 18812 146 1 1 . 1 1 40 40 THR HA H 40 4.770 4.770 4.337 0.433 18812 147 1 1 . 1 1 40 40 THR C C 40 175.300 175.300 173.781 1.519 18812 148 1 1 . 1 1 40 40 THR CA C 40 59.500 59.500 61.475 -1.975 18812 149 1 1 . 1 1 40 40 THR CB C 40 71.700 71.700 68.648 3.052 18812 150 1 1 . 1 1 40 40 THR H H 40 8.150 8.150 7.928 0.222 18812 151 1 1 . 1 1 41 41 LEU N N 41 123.100 123.100 129.998 -6.898 18812 152 1 1 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.731 -0.261 18812 153 1 1 . 1 1 41 41 LEU C C 41 179.700 179.700 177.745 1.955 18812 154 1 1 . 1 1 41 41 LEU CA C 41 54.900 54.900 54.975 -0.075 18812 155 1 1 . 1 1 41 41 LEU CB C 41 43.000 43.000 40.473 2.527 18812 156 1 1 . 1 1 41 41 LEU H H 41 9.480 9.480 8.575 0.905 18812 157 1 1 . 1 1 42 42 THR N N 42 115.100 115.100 120.130 -5.030 18812 158 1 1 . 1 1 42 42 THR HA H 42 4.580 4.580 4.313 0.267 18812 159 1 1 . 1 1 42 42 THR C C 42 175.400 175.400 175.775 -0.375 18812 160 1 1 . 1 1 42 42 THR CA C 42 60.900 60.900 61.209 -0.309 18812 161 1 1 . 1 1 42 42 THR CB C 42 70.600 70.600 71.038 -0.438 18812 162 1 1 . 1 1 42 42 THR H H 42 8.790 8.790 8.359 0.431 18812 163 1 1 . 1 1 43 43 GLU N N 43 121.400 121.400 121.613 -0.213 18812 164 1 1 . 1 1 43 43 GLU HA H 43 4.020 4.020 4.013 0.007 18812 165 1 1 . 1 1 43 43 GLU C C 43 179.100 179.100 178.827 0.273 18812 166 1 1 . 1 1 43 43 GLU CA C 43 59.700 59.700 60.469 -0.769 18812 167 1 1 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.320 -0.420 18812 168 1 1 . 1 1 43 43 GLU H H 43 9.020 9.020 8.907 0.113 18812 169 1 1 . 1 1 44 44 GLU N N 44 118.300 118.300 118.258 0.042 18812 170 1 1 . 1 1 44 44 GLU HA H 44 4.020 4.020 4.006 0.014 18812 171 1 1 . 1 1 44 44 GLU C C 44 179.700 179.700 179.277 0.423 18812 172 1 1 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.836 0.364 18812 173 1 1 . 1 1 44 44 GLU CB C 44 29.000 29.000 28.869 0.131 18812 174 1 1 . 1 1 44 44 GLU H H 44 8.810 8.810 8.733 0.077 18812 175 1 1 . 1 1 45 45 GLN N N 45 119.300 119.300 118.803 0.497 18812 176 1 1 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.128 0.092 18812 177 1 1 . 1 1 45 45 GLN C C 45 178.500 178.500 178.460 0.040 18812 178 1 1 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.495 -0.195 18812 179 1 1 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.936 0.264 18812 180 1 1 . 1 1 45 45 GLN H H 45 7.800 7.800 7.588 0.212 18812 181 1 1 . 1 1 46 46 VAL N N 46 121.000 121.000 121.292 -0.292 18812 182 1 1 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.741 -0.341 18812 183 1 1 . 1 1 46 46 VAL C C 46 177.500 177.500 178.355 -0.855 18812 184 1 1 . 1 1 46 46 VAL CA C 46 67.600 67.600 66.493 1.107 18812 185 1 1 . 1 1 46 46 VAL CB C 46 31.300 31.300 31.000 0.299 18812 186 1 1 . 1 1 46 46 VAL H H 46 8.420 8.420 8.239 0.181 18812 187 1 1 . 1 1 47 47 GLN N N 47 115.900 115.900 117.509 -1.609 18812 188 1 1 . 1 1 47 47 GLN HA H 47 3.890 3.890 4.080 -0.190 18812 189 1 1 . 1 1 47 47 GLN C C 47 178.500 178.500 178.669 -0.169 18812 190 1 1 . 1 1 47 47 GLN CA C 47 58.800 58.800 58.139 0.661 18812 191 1 1 . 1 1 47 47 GLN CB C 47 27.700 27.700 27.725 -0.025 18812 192 1 1 . 1 1 47 47 GLN H H 47 7.470 7.470 8.804 -1.334 18812 193 1 1 . 1 1 48 48 GLU N N 48 121.400 121.400 121.846 -0.446 18812 194 1 1 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.150 -0.030 18812 195 1 1 . 1 1 48 48 GLU C C 48 178.500 178.500 178.923 -0.423 18812 196 1 1 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.663 -0.363 18812 197 1 1 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.428 0.372 18812 198 1 1 . 1 1 48 48 GLU H H 48 7.940 7.940 8.149 -0.209 18812 199 1 1 . 1 1 49 49 VAL N N 49 120.300 120.300 119.870 0.430 18812 200 1 1 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.767 -0.177 18812 201 1 1 . 1 1 49 49 VAL CA C 49 67.200 67.200 66.534 0.666 18812 202 1 1 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.859 -0.359 18812 203 1 1 . 1 1 49 49 VAL H H 49 8.580 8.580 8.094 0.486 18812 204 1 1 . 1 1 50 50 VAL N N 50 118.700 118.700 116.909 1.791 18812 205 1 1 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.805 -0.585 18812 206 1 1 . 1 1 50 50 VAL C C 50 178.600 178.600 177.505 1.095 18812 207 1 1 . 1 1 50 50 VAL CA C 50 67.500 67.500 65.948 1.552 18812 208 1 1 . 1 1 50 50 VAL CB C 50 31.400 31.400 30.819 0.581 18812 209 1 1 . 1 1 50 50 VAL H H 50 8.350 8.350 8.316 0.034 18812 210 1 1 . 1 1 51 51 ALA N N 51 123.200 123.200 123.295 -0.095 18812 211 1 1 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.148 -0.318 18812 212 1 1 . 1 1 51 51 ALA C C 51 180.100 180.100 179.149 0.951 18812 213 1 1 . 1 1 51 51 ALA CA C 51 55.300 55.300 55.064 0.236 18812 214 1 1 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.654 -0.954 18812 215 1 1 . 1 1 51 51 ALA H H 51 8.320 8.320 8.031 0.289 18812 216 1 1 . 1 1 52 52 LYS N N 52 117.200 117.200 117.710 -0.510 18812 217 1 1 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.343 -0.223 18812 218 1 1 . 1 1 52 52 LYS C C 52 180.200 180.200 179.041 1.159 18812 219 1 1 . 1 1 52 52 LYS CA C 52 59.200 59.200 58.266 0.934 18812 220 1 1 . 1 1 52 52 LYS CB C 52 32.700 32.700 32.821 -0.121 18812 221 1 1 . 1 1 52 52 LYS H H 52 8.170 8.170 7.745 0.425 18812 222 1 1 . 1 1 53 53 LEU N N 53 118.600 118.600 119.765 -1.165 18812 223 1 1 . 1 1 53 53 LEU HA H 53 3.390 3.390 3.518 -0.128 18812 224 1 1 . 1 1 53 53 LEU C C 53 176.300 176.300 178.413 -2.113 18812 225 1 1 . 1 1 53 53 LEU CA C 53 56.300 56.300 57.400 -1.100 18812 226 1 1 . 1 1 53 53 LEU CB C 53 44.300 44.300 41.685 2.615 18812 227 1 1 . 1 1 53 53 LEU H H 53 8.170 8.170 8.406 -0.236 18812 228 1 1 . 1 1 54 54 THR N N 54 103.000 103.000 110.903 -7.903 18812 229 1 1 . 1 1 54 54 THR HA H 54 3.490 3.490 4.102 -0.612 18812 230 1 1 . 1 1 54 54 THR C C 54 173.600 173.600 174.287 -0.687 18812 231 1 1 . 1 1 54 54 THR CA C 54 60.800 60.800 63.026 -2.226 18812 232 1 1 . 1 1 54 54 THR CB C 54 69.700 69.700 69.073 0.627 18812 233 1 1 . 1 1 54 54 THR H H 54 6.990 6.990 7.587 -0.597 18812 234 1 1 . 1 1 55 55 ASP N N 55 126.400 126.400 122.454 3.946 18812 235 1 1 . 1 1 55 55 ASP HA H 55 4.630 4.630 4.923 -0.293 18812 236 1 1 . 1 1 55 55 ASP CA C 55 52.600 52.600 50.917 1.683 18812 237 1 1 . 1 1 55 55 ASP CB C 55 42.200 42.200 42.454 -0.254 18812 238 1 1 . 1 1 55 55 ASP H H 55 6.900 6.900 7.789 -0.889 18812 239 1 1 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.531 -0.191 18812 240 1 1 . 1 1 56 56 PRO C C 56 178.500 178.500 177.654 0.846 18812 241 1 1 . 1 1 56 56 PRO CA C 56 65.100 65.100 64.113 0.987 18812 242 1 1 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.331 -0.231 18812 243 1 1 . 1 1 57 57 GLU N N 57 115.700 115.700 119.456 -3.756 18812 244 1 1 . 1 1 57 57 GLU C C 57 176.300 176.300 177.627 -1.327 18812 245 1 1 . 1 1 57 57 GLU CA C 57 59.600 59.600 58.113 1.487 18812 246 1 1 . 1 1 57 57 GLU CB C 57 29.400 29.400 29.837 -0.437 18812 247 1 1 . 1 1 57 57 GLU H H 57 8.640 8.640 7.891 0.749 18812 248 1 1 . 1 1 58 58 SER N N 58 115.000 115.000 114.939 0.061 18812 249 1 1 . 1 1 58 58 SER HA H 58 4.260 4.260 4.262 -0.002 18812 250 1 1 . 1 1 58 58 SER C C 58 177.400 177.400 177.150 0.250 18812 251 1 1 . 1 1 58 58 SER CA C 58 62.900 62.900 61.297 1.603 18812 252 1 1 . 1 1 58 58 SER CB C 58 69.300 69.300 63.376 5.924 18812 253 1 1 . 1 1 58 58 SER H H 58 8.180 8.180 8.646 -0.466 18812 254 1 1 . 1 1 60 60 ALA N N 60 123.000 123.000 122.572 0.428 18812 255 1 1 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.122 0.508 18812 256 1 1 . 1 1 60 60 ALA C C 60 180.600 180.600 178.636 1.964 18812 257 1 1 . 1 1 60 60 ALA CA C 60 53.600 53.600 54.216 -0.616 18812 258 1 1 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.518 0.682 18812 259 1 1 . 1 1 60 60 ALA H H 60 8.020 8.020 7.753 0.267 18812 260 1 1 . 1 1 61 61 GLN N N 61 114.000 114.000 114.866 -0.866 18812 261 1 1 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.317 -0.297 18812 262 1 1 . 1 1 61 61 GLN C C 61 176.900 176.900 177.656 -0.756 18812 263 1 1 . 1 1 61 61 GLN CA C 61 54.900 54.900 56.276 -1.376 18812 264 1 1 . 1 1 61 61 GLN CB C 61 28.500 28.500 29.816 -1.316 18812 265 1 1 . 1 1 61 61 GLN H H 61 7.500 7.500 7.877 -0.377 18812 266 1 1 . 1 1 62 62 ILE N N 62 123.900 123.900 121.652 2.248 18812 267 1 1 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.688 0.092 18812 268 1 1 . 1 1 62 62 ILE C C 62 176.800 176.800 177.073 -0.273 18812 269 1 1 . 1 1 62 62 ILE CA C 62 65.900 65.900 64.258 1.642 18812 270 1 1 . 1 1 62 62 ILE CB C 62 37.700 37.700 38.291 -0.591 18812 271 1 1 . 1 1 62 62 ILE H H 62 7.240 7.240 8.010 -0.770 18812 272 1 1 . 1 1 63 63 ASP N N 63 114.100 114.100 115.606 -1.506 18812 273 1 1 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.639 0.171 18812 274 1 1 . 1 1 63 63 ASP C C 63 177.500 177.500 177.135 0.365 18812 275 1 1 . 1 1 63 63 ASP CA C 63 51.700 51.700 53.992 -2.292 18812 276 1 1 . 1 1 63 63 ASP CB C 63 40.300 40.300 43.465 -3.166 18812 277 1 1 . 1 1 63 63 ASP H H 63 7.860 7.860 7.667 0.193 18812 278 1 1 . 1 1 64 64 GLY N N 64 104.800 104.800 109.000 -4.200 18812 279 1 1 . 1 1 64 64 GLY C C 64 173.400 173.400 173.809 -0.409 18812 280 1 1 . 1 1 64 64 GLY CA C 64 45.900 45.900 45.317 0.583 18812 281 1 1 . 1 1 64 64 GLY H H 64 7.860 7.860 8.097 -0.237 18812 282 1 1 . 1 1 65 65 VAL N N 65 117.700 117.700 116.119 1.581 18812 283 1 1 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.488 0.012 18812 284 1 1 . 1 1 65 65 VAL C C 65 173.300 173.300 174.319 -1.019 18812 285 1 1 . 1 1 65 65 VAL CA C 65 60.100 60.100 60.181 -0.081 18812 286 1 1 . 1 1 65 65 VAL CB C 65 36.100 36.100 34.872 1.228 18812 287 1 1 . 1 1 65 65 VAL H H 65 7.550 7.550 7.605 -0.055 18812 288 1 1 . 1 1 66 66 VAL N N 66 129.500 129.500 123.410 6.090 18812 289 1 1 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.446 0.284 18812 290 1 1 . 1 1 66 66 VAL C C 66 174.300 174.300 175.086 -0.786 18812 291 1 1 . 1 1 66 66 VAL CA C 66 61.500 61.500 62.109 -0.609 18812 292 1 1 . 1 1 66 66 VAL CB C 66 31.800 31.800 31.693 0.107 18812 293 1 1 . 1 1 66 66 VAL H H 66 8.540 8.540 8.307 0.233 18812 294 1 1 . 1 1 67 67 SER N N 67 123.500 123.500 122.839 0.661 18812 295 1 1 . 1 1 67 67 SER HA H 67 5.510 5.510 4.740 0.770 18812 296 1 1 . 1 1 67 67 SER CA C 67 55.700 55.700 56.925 -1.225 18812 297 1 1 . 1 1 67 67 SER CB C 67 66.100 66.100 67.077 -0.977 18812 298 1 1 . 1 1 67 67 SER H H 67 9.370 9.370 8.233 1.137 18812 299 1 1 . 1 1 68 68 LYS C C 68 177.100 177.100 177.458 -0.358 18812 300 1 1 . 1 1 69 69 ASP N N 69 114.800 114.800 116.277 -1.477 18812 301 1 1 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.422 0.028 18812 302 1 1 . 1 1 69 69 ASP C C 69 178.800 178.800 177.858 0.942 18812 303 1 1 . 1 1 69 69 ASP CA C 69 56.900 56.900 56.442 0.458 18812 304 1 1 . 1 1 69 69 ASP CB C 69 40.400 40.400 39.831 0.569 18812 305 1 1 . 1 1 69 69 ASP H H 69 8.420 8.420 8.605 -0.185 18812 306 1 1 . 1 1 70 70 GLU N N 70 120.300 120.300 119.436 0.864 18812 307 1 1 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.039 0.111 18812 308 1 1 . 1 1 70 70 GLU C C 70 178.000 178.000 178.578 -0.578 18812 309 1 1 . 1 1 70 70 GLU CA C 70 59.200 59.200 58.788 0.412 18812 310 1 1 . 1 1 70 70 GLU CB C 70 28.600 28.600 28.957 -0.357 18812 311 1 1 . 1 1 70 70 GLU H H 70 7.600 7.600 8.405 -0.805 18812 312 1 1 . 1 1 71 71 ILE N N 71 119.100 119.100 120.656 -1.556 18812 313 1 1 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.563 -0.133 18812 314 1 1 . 1 1 71 71 ILE C C 71 177.300 177.300 178.016 -0.716 18812 315 1 1 . 1 1 71 71 ILE CA C 71 67.300 67.300 65.470 1.830 18812 316 1 1 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.696 0.104 18812 317 1 1 . 1 1 71 71 ILE H H 71 8.050 8.050 7.757 0.293 18812 318 1 1 . 1 1 72 72 GLU N N 72 116.200 116.200 119.529 -3.329 18812 319 1 1 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.887 -0.237 18812 320 1 1 . 1 1 72 72 GLU C C 72 178.000 178.000 178.843 -0.843 18812 321 1 1 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.723 1.277 18812 322 1 1 . 1 1 72 72 GLU CB C 72 30.200 30.200 29.156 1.044 18812 323 1 1 . 1 1 72 72 GLU H H 72 8.460 8.460 8.045 0.415 18812 324 1 1 . 1 1 73 73 LYS N N 73 118.600 118.600 120.662 -2.062 18812 325 1 1 . 1 1 73 73 LYS C C 73 179.000 179.000 179.178 -0.178 18812 326 1 1 . 1 1 73 73 LYS CA C 73 59.400 59.400 58.666 0.734 18812 327 1 1 . 1 1 73 73 LYS CB C 73 32.600 32.600 32.085 0.515 18812 328 1 1 . 1 1 73 73 LYS H H 73 8.020 8.020 7.446 0.574 18812 329 1 1 . 1 1 74 74 PHE N N 74 118.500 118.500 117.791 0.709 18812 330 1 1 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.271 0.049 18812 331 1 1 . 1 1 74 74 PHE C C 74 179.400 179.400 178.410 0.990 18812 332 1 1 . 1 1 74 74 PHE CA C 74 61.300 61.300 61.289 0.011 18812 333 1 1 . 1 1 74 74 PHE CB C 74 38.300 38.300 38.850 -0.550 18812 334 1 1 . 1 1 74 74 PHE H H 74 8.870 8.870 8.444 0.426 18812 335 1 1 . 1 1 75 75 ILE N N 75 119.000 119.000 120.021 -1.021 18812 336 1 1 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.609 0.161 18812 337 1 1 . 1 1 75 75 ILE C C 75 177.900 177.900 178.492 -0.592 18812 338 1 1 . 1 1 75 75 ILE CA C 75 66.800 66.800 65.414 1.386 18812 339 1 1 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.719 0.780 18812 340 1 1 . 1 1 75 75 ILE H H 75 8.570 8.570 8.379 0.191 18812 341 1 1 . 1 1 76 76 ALA N N 76 122.200 122.200 121.490 0.710 18812 342 1 1 . 1 1 76 76 ALA HA H 76 4.570 4.570 3.980 0.590 18812 343 1 1 . 1 1 76 76 ALA C C 76 181.000 181.000 179.004 1.996 18812 344 1 1 . 1 1 76 76 ALA CA C 76 54.600 54.600 54.651 -0.052 18812 345 1 1 . 1 1 76 76 ALA CB C 76 18.400 18.400 18.148 0.252 18812 346 1 1 . 1 1 76 76 ALA H H 76 8.230 8.230 8.381 -0.151 18812 347 1 1 . 1 1 77 77 ASP N N 77 117.200 117.200 117.878 -0.678 18812 348 1 1 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.458 -0.018 18812 349 1 1 . 1 1 77 77 ASP C C 77 177.200 177.200 177.106 0.094 18812 350 1 1 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.461 0.240 18812 351 1 1 . 1 1 77 77 ASP CB C 77 41.100 41.100 41.254 -0.154 18812 352 1 1 . 1 1 77 77 ASP H H 77 7.900 7.900 7.827 0.073 18812 353 1 1 . 1 1 78 78 VAL N N 78 118.100 118.100 118.622 -0.522 18812 354 1 1 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.118 -0.148 18812 355 1 1 . 1 1 78 78 VAL C C 78 177.800 177.800 175.160 2.640 18812 356 1 1 . 1 1 78 78 VAL CA C 78 64.800 64.800 61.792 3.008 18812 357 1 1 . 1 1 78 78 VAL CB C 78 32.700 32.700 30.598 2.102 18812 358 1 1 . 1 1 78 78 VAL H H 78 7.730 7.730 7.555 0.175 18812 359 1 1 . 1 1 79 79 THR N N 79 109.800 109.800 111.500 -1.700 18812 360 1 1 . 1 1 79 79 THR HA H 79 4.100 4.100 3.819 0.281 18812 361 1 1 . 1 1 79 79 THR C C 79 175.700 175.700 174.749 0.951 18812 362 1 1 . 1 1 79 79 THR CA C 79 69.400 69.400 63.844 5.556 18812 363 1 1 . 1 1 79 79 THR CB C 79 63.100 63.100 67.749 -4.649 18812 364 1 1 . 1 1 79 79 THR H H 79 8.830 8.830 7.664 1.166 18812 365 1 1 . 1 1 80 80 LYS N N 80 115.700 115.700 121.331 -5.631 18812 366 1 1 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.387 -0.377 18812 367 1 1 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.484 -1.784 18812 368 1 1 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.771 -4.371 18812 369 1 1 . 1 1 80 80 LYS H H 80 8.440 8.440 7.676 0.764 18812 370 1 1 . 1 1 81 81 ASP N N 81 119.600 119.600 114.570 5.030 18812 371 1 1 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.356 0.494 18812 372 1 1 . 1 1 81 81 ASP C C 81 174.400 174.400 174.818 -0.418 18812 373 1 1 . 1 1 81 81 ASP CA C 81 51.200 51.200 56.074 -4.874 18812 374 1 1 . 1 1 81 81 ASP CB C 81 44.400 44.400 40.479 3.921 18812 375 1 1 . 1 1 81 81 ASP H H 81 8.140 8.140 7.904 0.236 18812 376 1 1 . 1 1 82 82 GLU N N 82 120.500 120.500 116.965 3.535 18812 377 1 1 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.776 -0.326 18812 378 1 1 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.630 0.570 18812 379 1 1 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.706 -0.806 18812 380 1 1 . 1 1 82 82 GLU H H 82 8.810 8.810 8.173 0.637 18812 381 1 1 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.759 -0.109 18812 382 1 1 . 1 1 83 83 PRO C C 83 176.900 176.900 176.295 0.605 18812 383 1 1 . 1 1 83 83 PRO CA C 83 62.400 62.400 62.576 -0.176 18812 384 1 1 . 1 1 83 83 PRO CB C 83 32.600 32.600 31.432 1.168 18812 385 1 1 . 1 1 84 84 THR N N 84 115.300 115.300 119.409 -4.109 18812 386 1 1 . 1 1 84 84 THR HA H 84 4.590 4.590 4.620 -0.030 18812 387 1 1 . 1 1 84 84 THR C C 84 175.000 175.000 175.163 -0.163 18812 388 1 1 . 1 1 84 84 THR CA C 84 59.800 59.800 59.340 0.460 18812 389 1 1 . 1 1 84 84 THR CB C 84 71.700 71.700 71.662 0.038 18812 390 1 1 . 1 1 84 84 THR H H 84 9.550 9.550 8.979 0.571 18812 391 1 1 . 1 1 85 85 ALA N N 85 124.400 124.400 125.364 -0.964 18812 392 1 1 . 1 1 85 85 ALA HA H 85 4.060 4.060 4.116 -0.056 18812 393 1 1 . 1 1 85 85 ALA C C 85 180.900 180.900 179.539 1.361 18812 394 1 1 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.454 -0.154 18812 395 1 1 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.481 -0.481 18812 396 1 1 . 1 1 85 85 ALA H H 85 8.970 8.970 8.792 0.178 18812 397 1 1 . 1 1 86 86 GLN N N 86 116.500 116.500 118.251 -1.751 18812 398 1 1 . 1 1 86 86 GLN HA H 86 4.120 4.120 4.011 0.109 18812 399 1 1 . 1 1 86 86 GLN CA C 86 58.900 58.900 59.357 -0.457 18812 400 1 1 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.390 -0.290 18812 401 1 1 . 1 1 86 86 GLN H H 86 8.680 8.680 8.211 0.469 18812 402 1 1 . 1 1 87 87 ASP N N 87 122.300 122.300 120.283 2.017 18812 403 1 1 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.413 0.187 18812 404 1 1 . 1 1 87 87 ASP C C 87 178.200 178.200 178.804 -0.604 18812 405 1 1 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.561 0.239 18812 406 1 1 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.697 -0.997 18812 407 1 1 . 1 1 87 87 ASP H H 87 7.820 7.820 7.734 0.086 18812 408 1 1 . 1 1 88 88 ILE N N 88 120.900 120.900 119.883 1.017 18812 409 1 1 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.742 -0.262 18812 410 1 1 . 1 1 88 88 ILE C C 88 177.800 177.800 178.261 -0.461 18812 411 1 1 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.734 1.066 18812 412 1 1 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.770 0.530 18812 413 1 1 . 1 1 88 88 ILE H H 88 8.160 8.160 8.234 -0.074 18812 414 1 1 . 1 1 89 89 SER N N 89 113.200 113.200 115.476 -2.276 18812 415 1 1 . 1 1 89 89 SER HA H 89 4.240 4.240 4.149 0.091 18812 416 1 1 . 1 1 89 89 SER C C 89 177.200 177.200 176.710 0.490 18812 417 1 1 . 1 1 89 89 SER CA C 89 61.700 61.700 61.992 -0.292 18812 418 1 1 . 1 1 89 89 SER CB C 89 62.700 62.700 63.062 -0.362 18812 419 1 1 . 1 1 89 89 SER H H 89 7.970 7.970 8.206 -0.236 18812 420 1 1 . 1 1 90 90 ARG N N 90 123.100 123.100 121.534 1.566 18812 421 1 1 . 1 1 90 90 ARG HA H 90 4.110 4.110 4.062 0.048 18812 422 1 1 . 1 1 90 90 ARG CA C 90 59.900 59.900 58.910 0.991 18812 423 1 1 . 1 1 90 90 ARG CB C 90 31.700 31.700 29.670 2.030 18812 424 1 1 . 1 1 90 90 ARG H H 90 8.450 8.450 8.045 0.405 18812 425 1 1 . 1 1 91 91 VAL N N 91 119.200 119.200 119.720 -0.520 18812 426 1 1 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.652 -0.222 18812 427 1 1 . 1 1 91 91 VAL C C 91 177.300 177.300 178.030 -0.730 18812 428 1 1 . 1 1 91 91 VAL CA C 91 66.800 66.800 66.451 0.349 18812 429 1 1 . 1 1 91 91 VAL CB C 91 31.700 31.700 30.904 0.796 18812 430 1 1 . 1 1 91 91 VAL H H 91 8.140 8.140 8.321 -0.181 18812 431 1 1 . 1 1 92 92 ALA N N 92 121.100 121.100 121.879 -0.779 18812 432 1 1 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.965 -0.005 18812 433 1 1 . 1 1 92 92 ALA C C 92 179.200 179.200 179.975 -0.775 18812 434 1 1 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.493 0.407 18812 435 1 1 . 1 1 92 92 ALA CB C 92 18.400 18.400 18.061 0.339 18812 436 1 1 . 1 1 92 92 ALA H H 92 9.020 9.020 8.455 0.565 18812 437 1 1 . 1 1 93 93 SER N N 93 112.100 112.100 114.901 -2.801 18812 438 1 1 . 1 1 93 93 SER HA H 93 4.240 4.240 4.210 0.030 18812 439 1 1 . 1 1 93 93 SER C C 93 177.300 177.300 177.080 0.220 18812 440 1 1 . 1 1 93 93 SER CA C 93 62.000 62.000 61.877 0.123 18812 441 1 1 . 1 1 93 93 SER CB C 93 62.700 62.700 62.601 0.099 18812 442 1 1 . 1 1 93 93 SER H H 93 8.730 8.730 8.203 0.527 18812 443 1 1 . 1 1 94 94 ARG N N 94 122.500 122.500 121.661 0.839 18812 444 1 1 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.125 0.135 18812 445 1 1 . 1 1 94 94 ARG C C 94 179.900 179.900 178.921 0.979 18812 446 1 1 . 1 1 94 94 ARG CA C 94 57.800 57.800 58.276 -0.476 18812 447 1 1 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.673 -0.473 18812 448 1 1 . 1 1 94 94 ARG H H 94 7.520 7.520 8.108 -0.588 18812 449 1 1 . 1 1 95 95 LEU N N 95 121.500 121.500 116.195 5.305 18812 450 1 1 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.286 -0.046 18812 451 1 1 . 1 1 95 95 LEU C C 95 179.000 179.000 177.898 1.102 18812 452 1 1 . 1 1 95 95 LEU CA C 95 58.100 58.100 57.666 0.434 18812 453 1 1 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.886 0.914 18812 454 1 1 . 1 1 95 95 LEU H H 95 8.350 8.350 8.018 0.332 18812 455 1 1 . 1 1 96 96 ALA N N 96 121.900 121.900 120.992 0.908 18812 456 1 1 . 1 1 96 96 ALA HA H 96 4.320 4.320 4.171 0.149 18812 457 1 1 . 1 1 96 96 ALA C C 96 182.200 182.200 179.352 2.848 18812 458 1 1 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.339 0.761 18812 459 1 1 . 1 1 96 96 ALA CB C 96 18.000 18.000 18.831 -0.831 18812 460 1 1 . 1 1 96 96 ALA H H 96 8.740 8.740 8.165 0.575 18812 461 1 1 . 1 1 97 97 ALA N N 97 121.400 121.400 119.699 1.701 18812 462 1 1 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.355 -0.125 18812 463 1 1 . 1 1 97 97 ALA C C 97 179.200 179.200 179.782 -0.582 18812 464 1 1 . 1 1 97 97 ALA CA C 97 54.600 54.600 53.202 1.398 18812 465 1 1 . 1 1 97 97 ALA CB C 97 18.000 18.000 19.122 -1.121 18812 466 1 1 . 1 1 97 97 ALA H H 97 8.190 8.190 8.099 0.091 18812 467 1 1 . 1 1 98 98 GLY N N 98 103.500 103.500 108.333 -4.833 18812 468 1 1 . 1 1 98 98 GLY C C 98 173.700 173.700 174.356 -0.656 18812 469 1 1 . 1 1 98 98 GLY CA C 98 44.800 44.800 44.051 0.749 18812 470 1 1 . 1 1 98 98 GLY H H 98 7.710 7.710 7.954 -0.244 18812 471 1 1 . 1 1 99 99 GLY N N 99 107.600 107.600 108.571 -0.971 18812 472 1 1 . 1 1 99 99 GLY CA C 99 45.200 45.200 44.957 0.243 18812 473 1 1 . 1 1 99 99 GLY H H 99 7.710 7.710 7.474 0.236 18812 474 1 1 . 1 1 100 100 TRP N N 100 123.600 123.600 126.859 -3.259 18812 475 1 1 . 1 1 100 100 TRP CB C 100 52.300 52.300 27.705 24.595 18812 476 1 1 . 1 1 100 100 TRP H H 100 7.820 7.820 8.509 -0.689 18812 477 1 1 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.160 -0.230 18812 478 1 1 . 1 1 101 101 PRO C C 101 175.600 175.600 176.673 -1.073 18812 479 1 1 . 1 1 101 101 PRO CA C 101 62.600 62.600 63.925 -1.325 18812 480 1 1 . 1 1 101 101 PRO CB C 101 34.200 34.200 31.972 2.228 18812 481 1 1 . 1 1 102 102 LEU N N 102 122.800 122.800 120.736 2.064 18812 482 1 1 . 1 1 102 102 LEU H H 102 8.470 8.470 8.267 0.203 18812 483 1 1 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.550 0.110 18812 484 1 1 . 1 1 103 103 ALA C C 103 177.100 177.100 178.188 -1.088 18812 485 1 1 . 1 1 103 103 ALA CA C 103 51.500 51.500 51.742 -0.242 18812 486 1 1 . 1 1 103 103 ALA CB C 103 21.700 21.700 19.461 2.239 18812 487 1 1 . 1 1 104 104 GLY N N 104 108.500 108.500 106.855 1.645 18812 488 1 1 . 1 1 104 104 GLY C C 104 173.900 173.900 174.977 -1.077 18812 489 1 1 . 1 1 104 104 GLY CA C 104 45.900 45.900 45.045 0.855 18812 490 1 1 . 1 1 104 104 GLY H H 104 8.700 8.700 8.301 0.399 18812 491 1 1 . 1 1 105 105 VAL N N 105 116.700 116.700 117.908 -1.208 18812 492 1 1 . 1 1 105 105 VAL HA H 105 4.220 4.220 4.080 0.140 18812 493 1 1 . 1 1 105 105 VAL C C 105 174.700 174.700 175.354 -0.654 18812 494 1 1 . 1 1 105 105 VAL CA C 105 61.000 61.000 61.440 -0.440 18812 495 1 1 . 1 1 105 105 VAL CB C 105 33.100 33.100 32.320 0.780 18812 496 1 1 . 1 1 105 105 VAL H H 105 7.660 7.660 7.687 -0.027 18812 497 1 1 . 1 1 106 106 ASP N N 106 125.100 125.100 126.470 -1.370 18812 498 1 1 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.772 -0.102 18812 499 1 1 . 1 1 106 106 ASP C C 106 176.500 176.500 175.968 0.532 18812 500 1 1 . 1 1 106 106 ASP CA C 106 54.000 54.000 54.212 -0.212 18812 501 1 1 . 1 1 106 106 ASP CB C 106 41.300 41.300 41.988 -0.688 18812 502 1 1 . 1 1 106 106 ASP H H 106 8.600 8.600 8.344 0.256 18812 503 1 1 . 1 1 107 107 SER N N 107 117.400 117.400 116.639 0.761 18812 504 1 1 . 1 1 107 107 SER HA H 107 4.320 4.320 4.416 -0.096 18812 505 1 1 . 1 1 107 107 SER C C 107 175.400 175.400 175.032 0.368 18812 506 1 1 . 1 1 107 107 SER CA C 107 59.500 59.500 59.190 0.310 18812 507 1 1 . 1 1 107 107 SER CB C 107 63.200 63.200 63.964 -0.764 18812 508 1 1 . 1 1 107 107 SER H H 107 8.560 8.560 8.676 -0.116 18812 509 1 1 . 1 1 108 108 THR N N 108 115.100 115.100 115.234 -0.134 18812 510 1 1 . 1 1 108 108 THR HA H 108 4.260 4.260 4.699 -0.439 18812 511 1 1 . 1 1 108 108 THR C C 108 174.800 174.800 174.748 0.052 18812 512 1 1 . 1 1 108 108 THR CA C 108 63.000 63.000 62.636 0.364 18812 513 1 1 . 1 1 108 108 THR CB C 108 69.300 69.300 68.954 0.347 18812 514 1 1 . 1 1 108 108 THR H H 108 8.230 8.230 8.126 0.104 18812 515 1 1 . 1 1 109 109 ALA N N 109 125.000 125.000 123.614 1.386 18812 516 1 1 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.290 0.070 18812 517 1 1 . 1 1 109 109 ALA C C 109 177.500 177.500 177.853 -0.353 18812 518 1 1 . 1 1 109 109 ALA CA C 109 52.500 52.500 53.332 -0.832 18812 519 1 1 . 1 1 109 109 ALA CB C 109 19.100 19.100 17.986 1.114 18812 520 1 1 . 1 1 109 109 ALA H H 109 8.020 8.020 8.075 -0.055 18812 521 1 1 . 1 1 110 110 LEU N N 110 119.400 119.400 113.152 6.248 18812 522 1 1 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.415 -0.065 18812 523 1 1 . 1 1 110 110 LEU C C 110 176.800 176.800 176.122 0.678 18812 524 1 1 . 1 1 110 110 LEU CA C 110 55.000 55.000 54.746 0.254 18812 525 1 1 . 1 1 110 110 LEU CB C 110 42.000 42.000 41.653 0.347 18812 526 1 1 . 1 1 110 110 LEU H H 110 7.880 7.880 7.443 0.437 18812 527 1 1 . 1 1 111 111 ASN N N 111 118.700 118.700 118.324 0.376 18812 528 1 1 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.718 0.012 18812 529 1 1 . 1 1 111 111 ASN C C 111 173.600 173.600 174.121 -0.521 18812 530 1 1 . 1 1 111 111 ASN CA C 111 52.900 52.900 52.233 0.667 18812 531 1 1 . 1 1 111 111 ASN CB C 111 39.000 39.000 39.739 -0.738 18812 532 1 1 . 1 1 111 111 ASN H H 111 8.230 8.230 7.562 0.668 18812 533 1 2 . 1 1 10 10 GLY C C 10 174.100 174.100 174.120 -0.020 18812 534 1 2 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.867 0.432 18812 535 1 2 . 1 1 10 10 GLY H H 10 8.500 8.500 8.706 -0.206 18812 536 1 2 . 1 1 11 11 THR N N 11 113.700 113.700 117.644 -3.944 18812 537 1 2 . 1 1 11 11 THR HA H 11 4.350 4.350 4.627 -0.277 18812 538 1 2 . 1 1 11 11 THR C C 11 174.700 174.700 173.593 1.107 18812 539 1 2 . 1 1 11 11 THR CA C 11 62.000 62.000 61.706 0.294 18812 540 1 2 . 1 1 11 11 THR CB C 11 69.800 69.800 70.818 -1.018 18812 541 1 2 . 1 1 11 11 THR H H 11 8.100 8.100 7.758 0.342 18812 542 1 2 . 1 1 12 12 LEU N N 12 124.100 124.100 121.740 2.360 18812 543 1 2 . 1 1 12 12 LEU C C 12 177.600 177.600 176.701 0.899 18812 544 1 2 . 1 1 12 12 LEU CA C 12 55.400 55.400 53.240 2.160 18812 545 1 2 . 1 1 12 12 LEU CB C 12 42.000 42.000 43.846 -1.846 18812 546 1 2 . 1 1 12 12 LEU H H 12 8.380 8.380 8.144 0.236 18812 547 1 2 . 1 1 13 13 GLU N N 13 121.500 121.500 121.493 0.007 18812 548 1 2 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.403 -0.183 18812 549 1 2 . 1 1 13 13 GLU C C 13 176.300 176.300 175.888 0.412 18812 550 1 2 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.891 1.009 18812 551 1 2 . 1 1 13 13 GLU CB C 13 29.600 29.600 27.706 1.895 18812 552 1 2 . 1 1 13 13 GLU H H 13 8.440 8.440 8.783 -0.343 18812 553 1 2 . 1 1 14 14 ALA N N 14 124.300 124.300 127.963 -3.663 18812 554 1 2 . 1 1 14 14 ALA CA C 14 52.600 52.600 51.880 0.720 18812 555 1 2 . 1 1 14 14 ALA CB C 14 19.000 19.000 18.659 0.341 18812 556 1 2 . 1 1 14 14 ALA H H 14 8.280 8.280 8.201 0.079 18812 557 1 2 . 1 1 15 15 GLN N N 15 118.700 118.700 123.485 -4.785 18812 558 1 2 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.531 -0.131 18812 559 1 2 . 1 1 15 15 GLN C C 15 176.300 176.300 175.258 1.042 18812 560 1 2 . 1 1 15 15 GLN CA C 15 55.800 55.800 54.719 1.081 18812 561 1 2 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.263 1.037 18812 562 1 2 . 1 1 15 15 GLN H H 15 8.360 8.360 7.959 0.401 18812 563 1 2 . 1 1 16 16 THR N N 16 114.800 114.800 116.649 -1.849 18812 564 1 2 . 1 1 16 16 THR C C 16 174.400 174.400 174.535 -0.135 18812 565 1 2 . 1 1 16 16 THR CA C 16 62.000 62.000 61.379 0.621 18812 566 1 2 . 1 1 16 16 THR CB C 16 69.700 69.700 69.511 0.189 18812 567 1 2 . 1 1 16 16 THR H H 16 8.200 8.200 8.406 -0.206 18812 568 1 2 . 1 1 17 17 GLN N N 17 122.200 122.200 125.896 -3.696 18812 569 1 2 . 1 1 17 17 GLN C C 17 175.900 175.900 175.581 0.319 18812 570 1 2 . 1 1 17 17 GLN CA C 17 55.500 55.500 55.682 -0.182 18812 571 1 2 . 1 1 17 17 GLN CB C 17 29.600 29.600 29.808 -0.208 18812 572 1 2 . 1 1 17 17 GLN H H 17 8.430 8.430 8.604 -0.174 18812 573 1 2 . 1 1 18 18 GLY N N 18 110.100 110.100 110.967 -0.867 18812 574 1 2 . 1 1 18 18 GLY CA C 18 44.500 44.500 44.669 -0.169 18812 575 1 2 . 1 1 18 18 GLY H H 18 8.360 8.360 8.330 0.030 18812 576 1 2 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.470 -0.010 18812 577 1 2 . 1 1 19 19 PRO C C 19 177.700 177.700 177.257 0.443 18812 578 1 2 . 1 1 19 19 PRO CA C 19 63.600 63.600 62.569 1.031 18812 579 1 2 . 1 1 19 19 PRO CB C 19 31.900 31.900 31.560 0.340 18812 580 1 2 . 1 1 20 20 GLY N N 20 109.600 109.600 113.664 -4.064 18812 581 1 2 . 1 1 20 20 GLY C C 20 174.100 174.100 174.733 -0.633 18812 582 1 2 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.286 -0.086 18812 583 1 2 . 1 1 20 20 GLY H H 20 8.630 8.630 8.630 -0.000 18812 584 1 2 . 1 1 21 21 SER N N 21 115.300 115.300 114.888 0.412 18812 585 1 2 . 1 1 21 21 SER HA H 21 4.460 4.460 4.355 0.105 18812 586 1 2 . 1 1 21 21 SER C C 21 174.100 174.100 173.520 0.580 18812 587 1 2 . 1 1 21 21 SER CA C 21 58.300 58.300 58.296 0.004 18812 588 1 2 . 1 1 21 21 SER CB C 21 63.900 63.900 63.368 0.532 18812 589 1 2 . 1 1 21 21 SER H H 21 8.150 8.150 8.307 -0.157 18812 590 1 2 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.546 -0.106 18812 591 1 2 . 1 1 22 22 PRO C C 22 176.800 176.800 176.154 0.646 18812 592 1 2 . 1 1 22 22 PRO CA C 22 63.100 63.100 62.988 0.112 18812 593 1 2 . 1 1 22 22 PRO CB C 22 32.100 32.100 32.049 0.051 18812 594 1 2 . 1 1 23 23 GLU N N 23 120.900 120.900 120.664 0.236 18812 595 1 2 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.308 -0.028 18812 596 1 2 . 1 1 23 23 GLU C C 23 177.000 177.000 177.643 -0.643 18812 597 1 2 . 1 1 23 23 GLU CA C 23 56.600 56.600 56.729 -0.129 18812 598 1 2 . 1 1 23 23 GLU CB C 23 30.400 30.400 29.367 1.033 18812 599 1 2 . 1 1 23 23 GLU H H 23 8.630 8.630 7.544 1.086 18812 600 1 2 . 1 1 24 24 GLY N N 24 109.800 109.800 111.873 -2.073 18812 601 1 2 . 1 1 24 24 GLY C C 24 173.600 173.600 173.916 -0.316 18812 602 1 2 . 1 1 24 24 GLY CA C 24 45.100 45.100 45.787 -0.687 18812 603 1 2 . 1 1 24 24 GLY H H 24 8.450 8.450 8.843 -0.393 18812 604 1 2 . 1 1 25 25 VAL N N 25 120.600 120.600 117.362 3.238 18812 605 1 2 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.631 -0.171 18812 606 1 2 . 1 1 25 25 VAL CA C 25 59.700 59.700 58.947 0.753 18812 607 1 2 . 1 1 25 25 VAL CB C 25 32.600 32.600 33.297 -0.697 18812 608 1 2 . 1 1 25 25 VAL H H 25 7.990 7.990 7.445 0.545 18812 609 1 2 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.409 0.111 18812 610 1 2 . 1 1 27 27 PRO C C 27 177.200 177.200 177.030 0.170 18812 611 1 2 . 1 1 27 27 PRO CA C 27 63.100 63.100 63.259 -0.159 18812 612 1 2 . 1 1 27 27 PRO CB C 27 32.000 32.000 31.848 0.152 18812 613 1 2 . 1 1 28 28 THR N N 28 113.000 113.000 115.305 -2.305 18812 614 1 2 . 1 1 28 28 THR HA H 28 4.270 4.270 4.229 0.041 18812 615 1 2 . 1 1 28 28 THR C C 28 174.400 174.400 175.001 -0.601 18812 616 1 2 . 1 1 28 28 THR CA C 28 62.000 62.000 61.555 0.445 18812 617 1 2 . 1 1 28 28 THR CB C 28 69.700 69.700 69.389 0.311 18812 618 1 2 . 1 1 28 28 THR H H 28 8.160 8.160 7.923 0.237 18812 619 1 2 . 1 1 29 29 ASP N N 29 122.100 122.100 119.202 2.898 18812 620 1 2 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.503 0.077 18812 621 1 2 . 1 1 29 29 ASP CA C 29 54.300 54.300 54.875 -0.575 18812 622 1 2 . 1 1 29 29 ASP CB C 29 40.900 40.900 41.001 -0.101 18812 623 1 2 . 1 1 29 29 ASP H H 29 8.290 8.290 8.350 -0.060 18812 624 1 2 . 1 1 30 30 ARG N N 30 120.300 120.300 118.179 2.121 18812 625 1 2 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.460 -0.270 18812 626 1 2 . 1 1 30 30 ARG C C 30 175.600 175.600 173.732 1.868 18812 627 1 2 . 1 1 30 30 ARG CA C 30 56.200 56.200 55.575 0.625 18812 628 1 2 . 1 1 30 30 ARG CB C 30 30.800 30.800 32.055 -1.255 18812 629 1 2 . 1 1 30 30 ARG H H 30 8.070 8.070 7.428 0.642 18812 630 1 2 . 1 1 31 31 PHE N N 31 120.500 120.500 124.565 -4.065 18812 631 1 2 . 1 1 31 31 PHE CB C 31 38.800 38.800 38.764 0.036 18812 632 1 2 . 1 1 31 31 PHE H H 31 8.240 8.240 9.073 -0.833 18812 633 1 2 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.316 0.124 18812 634 1 2 . 1 1 32 32 PRO C C 32 177.200 177.200 176.265 0.935 18812 635 1 2 . 1 1 32 32 PRO CA C 32 63.400 63.400 64.219 -0.819 18812 636 1 2 . 1 1 32 32 PRO CB C 32 31.700 31.700 31.916 -0.216 18812 637 1 2 . 1 1 33 33 LEU N N 33 121.000 121.000 121.850 -0.850 18812 638 1 2 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.497 -0.167 18812 639 1 2 . 1 1 33 33 LEU CA C 33 55.600 55.600 53.876 1.724 18812 640 1 2 . 1 1 33 33 LEU CB C 33 42.100 42.100 42.184 -0.085 18812 641 1 2 . 1 1 33 33 LEU H H 33 8.290 8.290 7.867 0.423 18812 642 1 2 . 1 1 34 34 LEU N N 34 122.100 122.100 120.834 1.266 18812 643 1 2 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.601 -0.291 18812 644 1 2 . 1 1 34 34 LEU C C 34 177.300 177.300 177.360 -0.060 18812 645 1 2 . 1 1 34 34 LEU CA C 34 55.200 55.200 55.798 -0.598 18812 646 1 2 . 1 1 34 34 LEU CB C 34 41.900 41.900 41.623 0.277 18812 647 1 2 . 1 1 34 34 LEU H H 34 8.110 8.110 8.563 -0.453 18812 648 1 2 . 1 1 35 35 ALA N N 35 123.400 123.400 124.140 -0.740 18812 649 1 2 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.455 -0.175 18812 650 1 2 . 1 1 35 35 ALA C C 35 177.600 177.600 177.409 0.191 18812 651 1 2 . 1 1 35 35 ALA CA C 35 52.700 52.700 51.662 1.038 18812 652 1 2 . 1 1 35 35 ALA CB C 35 18.800 18.800 17.353 1.447 18812 653 1 2 . 1 1 35 35 ALA H H 35 8.140 8.140 8.106 0.034 18812 654 1 2 . 1 1 36 36 LEU N N 36 120.000 120.000 116.358 3.642 18812 655 1 2 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.392 -0.132 18812 656 1 2 . 1 1 36 36 LEU CA C 36 55.500 55.500 54.474 1.026 18812 657 1 2 . 1 1 36 36 LEU CB C 36 42.000 42.000 41.175 0.825 18812 658 1 2 . 1 1 36 36 LEU H H 36 7.990 7.990 7.184 0.806 18812 659 1 2 . 1 1 37 37 LEU N N 37 122.700 122.700 121.846 0.854 18812 660 1 2 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.232 0.148 18812 661 1 2 . 1 1 37 37 LEU C C 37 177.100 177.100 176.987 0.113 18812 662 1 2 . 1 1 37 37 LEU CA C 37 55.000 55.000 55.483 -0.483 18812 663 1 2 . 1 1 37 37 LEU CB C 37 42.100 42.100 39.501 2.599 18812 664 1 2 . 1 1 37 37 LEU H H 37 8.190 8.190 7.628 0.562 18812 665 1 2 . 1 1 38 38 ARG N N 38 121.600 121.600 124.824 -3.224 18812 666 1 2 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.681 -0.211 18812 667 1 2 . 1 1 38 38 ARG C C 38 176.200 176.200 175.899 0.301 18812 668 1 2 . 1 1 38 38 ARG CA C 38 55.100 55.100 53.790 1.310 18812 669 1 2 . 1 1 38 38 ARG CB C 38 31.200 31.200 31.947 -0.747 18812 670 1 2 . 1 1 38 38 ARG H H 38 8.040 8.040 7.846 0.194 18812 671 1 2 . 1 1 39 39 ARG N N 39 123.600 123.600 120.383 3.217 18812 672 1 2 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.306 0.064 18812 673 1 2 . 1 1 39 39 ARG C C 39 175.500 175.500 176.362 -0.862 18812 674 1 2 . 1 1 39 39 ARG CA C 39 56.700 56.700 57.807 -1.107 18812 675 1 2 . 1 1 39 39 ARG CB C 39 31.200 31.200 30.586 0.614 18812 676 1 2 . 1 1 39 39 ARG H H 39 8.840 8.840 8.380 0.460 18812 677 1 2 . 1 1 40 40 THR N N 40 113.900 113.900 110.394 3.506 18812 678 1 2 . 1 1 40 40 THR HA H 40 4.770 4.770 4.367 0.403 18812 679 1 2 . 1 1 40 40 THR C C 40 175.300 175.300 173.588 1.712 18812 680 1 2 . 1 1 40 40 THR CA C 40 59.500 59.500 60.742 -1.242 18812 681 1 2 . 1 1 40 40 THR CB C 40 71.700 71.700 69.689 2.010 18812 682 1 2 . 1 1 40 40 THR H H 40 8.150 8.150 7.606 0.544 18812 683 1 2 . 1 1 41 41 LEU N N 41 123.100 123.100 127.866 -4.766 18812 684 1 2 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.454 0.016 18812 685 1 2 . 1 1 41 41 LEU C C 41 179.700 179.700 176.607 3.093 18812 686 1 2 . 1 1 41 41 LEU CA C 41 54.900 54.900 54.284 0.616 18812 687 1 2 . 1 1 41 41 LEU CB C 41 43.000 43.000 41.355 1.645 18812 688 1 2 . 1 1 41 41 LEU H H 41 9.480 9.480 8.782 0.698 18812 689 1 2 . 1 1 42 42 THR N N 42 115.100 115.100 119.921 -4.821 18812 690 1 2 . 1 1 42 42 THR HA H 42 4.580 4.580 4.176 0.404 18812 691 1 2 . 1 1 42 42 THR C C 42 175.400 175.400 175.514 -0.114 18812 692 1 2 . 1 1 42 42 THR CA C 42 60.900 60.900 60.854 0.046 18812 693 1 2 . 1 1 42 42 THR CB C 42 70.600 70.600 70.235 0.365 18812 694 1 2 . 1 1 42 42 THR H H 42 8.790 8.790 7.896 0.894 18812 695 1 2 . 1 1 43 43 GLU N N 43 121.400 121.400 121.805 -0.405 18812 696 1 2 . 1 1 43 43 GLU HA H 43 4.020 4.020 4.013 0.007 18812 697 1 2 . 1 1 43 43 GLU C C 43 179.100 179.100 178.477 0.623 18812 698 1 2 . 1 1 43 43 GLU CA C 43 59.700 59.700 59.670 0.030 18812 699 1 2 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.388 -0.488 18812 700 1 2 . 1 1 43 43 GLU H H 43 9.020 9.020 8.953 0.067 18812 701 1 2 . 1 1 44 44 GLU N N 44 118.300 118.300 118.507 -0.207 18812 702 1 2 . 1 1 44 44 GLU HA H 44 4.020 4.020 4.062 -0.042 18812 703 1 2 . 1 1 44 44 GLU C C 44 179.700 179.700 178.824 0.876 18812 704 1 2 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.131 1.069 18812 705 1 2 . 1 1 44 44 GLU CB C 44 29.000 29.000 29.303 -0.303 18812 706 1 2 . 1 1 44 44 GLU H H 44 8.810 8.810 7.845 0.965 18812 707 1 2 . 1 1 45 45 GLN N N 45 119.300 119.300 118.276 1.024 18812 708 1 2 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.129 0.091 18812 709 1 2 . 1 1 45 45 GLN C C 45 178.500 178.500 178.701 -0.201 18812 710 1 2 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.136 0.164 18812 711 1 2 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.356 0.844 18812 712 1 2 . 1 1 45 45 GLN H H 45 7.800 7.800 7.661 0.139 18812 713 1 2 . 1 1 46 46 VAL N N 46 121.000 121.000 121.120 -0.120 18812 714 1 2 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.609 -0.209 18812 715 1 2 . 1 1 46 46 VAL C C 46 177.500 177.500 178.106 -0.606 18812 716 1 2 . 1 1 46 46 VAL CA C 46 67.600 67.600 66.640 0.960 18812 717 1 2 . 1 1 46 46 VAL CB C 46 31.300 31.300 31.308 -0.008 18812 718 1 2 . 1 1 46 46 VAL H H 46 8.420 8.420 7.941 0.479 18812 719 1 2 . 1 1 47 47 GLN N N 47 115.900 115.900 117.828 -1.928 18812 720 1 2 . 1 1 47 47 GLN HA H 47 3.890 3.890 3.982 -0.092 18812 721 1 2 . 1 1 47 47 GLN C C 47 178.500 178.500 178.448 0.052 18812 722 1 2 . 1 1 47 47 GLN CA C 47 58.800 58.800 58.347 0.453 18812 723 1 2 . 1 1 47 47 GLN CB C 47 27.700 27.700 27.809 -0.109 18812 724 1 2 . 1 1 47 47 GLN H H 47 7.470 7.470 8.207 -0.737 18812 725 1 2 . 1 1 48 48 GLU N N 48 121.400 121.400 121.141 0.259 18812 726 1 2 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.073 0.047 18812 727 1 2 . 1 1 48 48 GLU C C 48 178.500 178.500 178.830 -0.330 18812 728 1 2 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.547 -0.247 18812 729 1 2 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.371 0.429 18812 730 1 2 . 1 1 48 48 GLU H H 48 7.940 7.940 8.050 -0.110 18812 731 1 2 . 1 1 49 49 VAL N N 49 120.300 120.300 119.685 0.615 18812 732 1 2 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.677 -0.087 18812 733 1 2 . 1 1 49 49 VAL CA C 49 67.200 67.200 66.476 0.724 18812 734 1 2 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.895 -0.395 18812 735 1 2 . 1 1 49 49 VAL H H 49 8.580 8.580 8.153 0.427 18812 736 1 2 . 1 1 50 50 VAL N N 50 118.700 118.700 116.277 2.423 18812 737 1 2 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.685 -0.465 18812 738 1 2 . 1 1 50 50 VAL C C 50 178.600 178.600 177.323 1.277 18812 739 1 2 . 1 1 50 50 VAL CA C 50 67.500 67.500 66.015 1.485 18812 740 1 2 . 1 1 50 50 VAL CB C 50 31.400 31.400 30.888 0.512 18812 741 1 2 . 1 1 50 50 VAL H H 50 8.350 8.350 8.105 0.245 18812 742 1 2 . 1 1 51 51 ALA N N 51 123.200 123.200 122.546 0.654 18812 743 1 2 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.073 -0.243 18812 744 1 2 . 1 1 51 51 ALA C C 51 180.100 180.100 179.815 0.285 18812 745 1 2 . 1 1 51 51 ALA CA C 51 55.300 55.300 54.940 0.360 18812 746 1 2 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.466 -0.766 18812 747 1 2 . 1 1 51 51 ALA H H 51 8.320 8.320 8.107 0.213 18812 748 1 2 . 1 1 52 52 LYS N N 52 117.200 117.200 118.508 -1.308 18812 749 1 2 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.090 0.030 18812 750 1 2 . 1 1 52 52 LYS C C 52 180.200 180.200 178.982 1.218 18812 751 1 2 . 1 1 52 52 LYS CA C 52 59.200 59.200 58.456 0.744 18812 752 1 2 . 1 1 52 52 LYS CB C 52 32.700 32.700 31.998 0.702 18812 753 1 2 . 1 1 52 52 LYS H H 52 8.170 8.170 7.888 0.282 18812 754 1 2 . 1 1 53 53 LEU N N 53 118.600 118.600 119.008 -0.408 18812 755 1 2 . 1 1 53 53 LEU HA H 53 3.390 3.390 4.137 -0.747 18812 756 1 2 . 1 1 53 53 LEU C C 53 176.300 176.300 178.717 -2.417 18812 757 1 2 . 1 1 53 53 LEU CA C 53 56.300 56.300 56.358 -0.058 18812 758 1 2 . 1 1 53 53 LEU CB C 53 44.300 44.300 40.598 3.702 18812 759 1 2 . 1 1 53 53 LEU H H 53 8.170 8.170 8.288 -0.118 18812 760 1 2 . 1 1 54 54 THR N N 54 103.000 103.000 108.418 -5.418 18812 761 1 2 . 1 1 54 54 THR HA H 54 3.490 3.490 4.346 -0.856 18812 762 1 2 . 1 1 54 54 THR C C 54 173.600 173.600 174.863 -1.263 18812 763 1 2 . 1 1 54 54 THR CA C 54 60.800 60.800 63.097 -2.297 18812 764 1 2 . 1 1 54 54 THR CB C 54 69.700 69.700 68.899 0.801 18812 765 1 2 . 1 1 54 54 THR H H 54 6.990 6.990 8.054 -1.064 18812 766 1 2 . 1 1 55 55 ASP N N 55 126.400 126.400 121.852 4.548 18812 767 1 2 . 1 1 55 55 ASP HA H 55 4.630 4.630 5.017 -0.387 18812 768 1 2 . 1 1 55 55 ASP CA C 55 52.600 52.600 50.688 1.912 18812 769 1 2 . 1 1 55 55 ASP CB C 55 42.200 42.200 41.876 0.324 18812 770 1 2 . 1 1 55 55 ASP H H 55 6.900 6.900 7.666 -0.766 18812 771 1 2 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.194 0.146 18812 772 1 2 . 1 1 56 56 PRO C C 56 178.500 178.500 178.420 0.080 18812 773 1 2 . 1 1 56 56 PRO CA C 56 65.100 65.100 64.574 0.526 18812 774 1 2 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.090 0.010 18812 775 1 2 . 1 1 57 57 GLU N N 57 115.700 115.700 118.399 -2.699 18812 776 1 2 . 1 1 57 57 GLU C C 57 176.300 176.300 178.399 -2.099 18812 777 1 2 . 1 1 57 57 GLU CA C 57 59.600 59.600 59.458 0.142 18812 778 1 2 . 1 1 57 57 GLU CB C 57 29.400 29.400 29.251 0.149 18812 779 1 2 . 1 1 57 57 GLU H H 57 8.640 8.640 8.707 -0.067 18812 780 1 2 . 1 1 58 58 SER N N 58 115.000 115.000 114.472 0.528 18812 781 1 2 . 1 1 58 58 SER HA H 58 4.260 4.260 4.237 0.023 18812 782 1 2 . 1 1 58 58 SER C C 58 177.400 177.400 176.761 0.639 18812 783 1 2 . 1 1 58 58 SER CA C 58 62.900 62.900 60.903 1.997 18812 784 1 2 . 1 1 58 58 SER CB C 58 69.300 69.300 63.151 6.149 18812 785 1 2 . 1 1 58 58 SER H H 58 8.180 8.180 7.868 0.312 18812 786 1 2 . 1 1 60 60 ALA N N 60 123.000 123.000 121.086 1.914 18812 787 1 2 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.226 0.404 18812 788 1 2 . 1 1 60 60 ALA C C 60 180.600 180.600 178.271 2.329 18812 789 1 2 . 1 1 60 60 ALA CA C 60 53.600 53.600 54.234 -0.634 18812 790 1 2 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.611 0.589 18812 791 1 2 . 1 1 60 60 ALA H H 60 8.020 8.020 8.275 -0.255 18812 792 1 2 . 1 1 61 61 GLN N N 61 114.000 114.000 117.644 -3.644 18812 793 1 2 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.272 -0.252 18812 794 1 2 . 1 1 61 61 GLN C C 61 176.900 176.900 177.459 -0.559 18812 795 1 2 . 1 1 61 61 GLN CA C 61 54.900 54.900 56.908 -2.008 18812 796 1 2 . 1 1 61 61 GLN CB C 61 28.500 28.500 28.814 -0.314 18812 797 1 2 . 1 1 61 61 GLN H H 61 7.500 7.500 7.732 -0.232 18812 798 1 2 . 1 1 62 62 ILE N N 62 123.900 123.900 121.409 2.491 18812 799 1 2 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.839 -0.059 18812 800 1 2 . 1 1 62 62 ILE C C 62 176.800 176.800 177.512 -0.712 18812 801 1 2 . 1 1 62 62 ILE CA C 62 65.900 65.900 63.849 2.051 18812 802 1 2 . 1 1 62 62 ILE CB C 62 37.700 37.700 38.577 -0.877 18812 803 1 2 . 1 1 62 62 ILE H H 62 7.240 7.240 8.085 -0.845 18812 804 1 2 . 1 1 63 63 ASP N N 63 114.100 114.100 117.350 -3.250 18812 805 1 2 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.658 0.152 18812 806 1 2 . 1 1 63 63 ASP C C 63 177.500 177.500 177.648 -0.148 18812 807 1 2 . 1 1 63 63 ASP CA C 63 51.700 51.700 53.870 -2.171 18812 808 1 2 . 1 1 63 63 ASP CB C 63 40.300 40.300 41.168 -0.868 18812 809 1 2 . 1 1 63 63 ASP H H 63 7.860 7.860 8.089 -0.229 18812 810 1 2 . 1 1 64 64 GLY N N 64 104.800 104.800 108.214 -3.414 18812 811 1 2 . 1 1 64 64 GLY C C 64 173.400 173.400 174.003 -0.603 18812 812 1 2 . 1 1 64 64 GLY CA C 64 45.900 45.900 45.452 0.448 18812 813 1 2 . 1 1 64 64 GLY H H 64 7.860 7.860 8.104 -0.244 18812 814 1 2 . 1 1 65 65 VAL N N 65 117.700 117.700 117.734 -0.034 18812 815 1 2 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.335 0.165 18812 816 1 2 . 1 1 65 65 VAL C C 65 173.300 173.300 173.923 -0.623 18812 817 1 2 . 1 1 65 65 VAL CA C 65 60.100 60.100 61.590 -1.490 18812 818 1 2 . 1 1 65 65 VAL CB C 65 36.100 36.100 33.923 2.177 18812 819 1 2 . 1 1 65 65 VAL H H 65 7.550 7.550 8.061 -0.511 18812 820 1 2 . 1 1 66 66 VAL N N 66 129.500 129.500 126.904 2.596 18812 821 1 2 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.215 0.515 18812 822 1 2 . 1 1 66 66 VAL C C 66 174.300 174.300 174.938 -0.638 18812 823 1 2 . 1 1 66 66 VAL CA C 66 61.500 61.500 62.893 -1.393 18812 824 1 2 . 1 1 66 66 VAL CB C 66 31.800 31.800 32.156 -0.356 18812 825 1 2 . 1 1 66 66 VAL H H 66 8.540 8.540 8.221 0.319 18812 826 1 2 . 1 1 67 67 SER N N 67 123.500 123.500 124.135 -0.635 18812 827 1 2 . 1 1 67 67 SER HA H 67 5.510 5.510 4.726 0.784 18812 828 1 2 . 1 1 67 67 SER CA C 67 55.700 55.700 56.825 -1.125 18812 829 1 2 . 1 1 67 67 SER CB C 67 66.100 66.100 66.288 -0.188 18812 830 1 2 . 1 1 67 67 SER H H 67 9.370 9.370 8.093 1.277 18812 831 1 2 . 1 1 68 68 LYS C C 68 177.100 177.100 177.703 -0.603 18812 832 1 2 . 1 1 69 69 ASP N N 69 114.800 114.800 117.558 -2.758 18812 833 1 2 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.391 0.059 18812 834 1 2 . 1 1 69 69 ASP C C 69 178.800 178.800 177.705 1.095 18812 835 1 2 . 1 1 69 69 ASP CA C 69 56.900 56.900 56.561 0.339 18812 836 1 2 . 1 1 69 69 ASP CB C 69 40.400 40.400 39.908 0.492 18812 837 1 2 . 1 1 69 69 ASP H H 69 8.420 8.420 8.713 -0.293 18812 838 1 2 . 1 1 70 70 GLU N N 70 120.300 120.300 119.992 0.308 18812 839 1 2 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.096 0.054 18812 840 1 2 . 1 1 70 70 GLU C C 70 178.000 178.000 178.842 -0.842 18812 841 1 2 . 1 1 70 70 GLU CA C 70 59.200 59.200 59.202 -0.002 18812 842 1 2 . 1 1 70 70 GLU CB C 70 28.600 28.600 29.148 -0.548 18812 843 1 2 . 1 1 70 70 GLU H H 70 7.600 7.600 8.313 -0.713 18812 844 1 2 . 1 1 71 71 ILE N N 71 119.100 119.100 120.976 -1.876 18812 845 1 2 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.647 -0.217 18812 846 1 2 . 1 1 71 71 ILE C C 71 177.300 177.300 178.115 -0.815 18812 847 1 2 . 1 1 71 71 ILE CA C 71 67.300 67.300 65.638 1.662 18812 848 1 2 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.807 -0.007 18812 849 1 2 . 1 1 71 71 ILE H H 71 8.050 8.050 7.601 0.449 18812 850 1 2 . 1 1 72 72 GLU N N 72 116.200 116.200 119.392 -3.192 18812 851 1 2 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.908 -0.258 18812 852 1 2 . 1 1 72 72 GLU C C 72 178.000 178.000 179.129 -1.129 18812 853 1 2 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.595 1.405 18812 854 1 2 . 1 1 72 72 GLU CB C 72 30.200 30.200 29.128 1.072 18812 855 1 2 . 1 1 72 72 GLU H H 72 8.460 8.460 8.020 0.440 18812 856 1 2 . 1 1 73 73 LYS N N 73 118.600 118.600 119.626 -1.026 18812 857 1 2 . 1 1 73 73 LYS C C 73 179.000 179.000 179.295 -0.295 18812 858 1 2 . 1 1 73 73 LYS CA C 73 59.400 59.400 58.466 0.934 18812 859 1 2 . 1 1 73 73 LYS CB C 73 32.600 32.600 31.895 0.705 18812 860 1 2 . 1 1 73 73 LYS H H 73 8.020 8.020 7.765 0.255 18812 861 1 2 . 1 1 74 74 PHE N N 74 118.500 118.500 118.604 -0.104 18812 862 1 2 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.284 0.036 18812 863 1 2 . 1 1 74 74 PHE C C 74 179.400 179.400 178.106 1.294 18812 864 1 2 . 1 1 74 74 PHE CA C 74 61.300 61.300 61.490 -0.190 18812 865 1 2 . 1 1 74 74 PHE CB C 74 38.300 38.300 38.956 -0.656 18812 866 1 2 . 1 1 74 74 PHE H H 74 8.870 8.870 8.373 0.497 18812 867 1 2 . 1 1 75 75 ILE N N 75 119.000 119.000 120.122 -1.122 18812 868 1 2 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.590 0.180 18812 869 1 2 . 1 1 75 75 ILE C C 75 177.900 177.900 178.290 -0.390 18812 870 1 2 . 1 1 75 75 ILE CA C 75 66.800 66.800 65.291 1.509 18812 871 1 2 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.775 0.725 18812 872 1 2 . 1 1 75 75 ILE H H 75 8.570 8.570 8.210 0.360 18812 873 1 2 . 1 1 76 76 ALA N N 76 122.200 122.200 121.907 0.293 18812 874 1 2 . 1 1 76 76 ALA HA H 76 4.570 4.570 3.915 0.655 18812 875 1 2 . 1 1 76 76 ALA C C 76 181.000 181.000 178.940 2.060 18812 876 1 2 . 1 1 76 76 ALA CA C 76 54.600 54.600 54.795 -0.195 18812 877 1 2 . 1 1 76 76 ALA CB C 76 18.400 18.400 18.098 0.302 18812 878 1 2 . 1 1 76 76 ALA H H 76 8.230 8.230 8.287 -0.057 18812 879 1 2 . 1 1 77 77 ASP N N 77 117.200 117.200 118.019 -0.819 18812 880 1 2 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.389 0.051 18812 881 1 2 . 1 1 77 77 ASP C C 77 177.200 177.200 177.250 -0.050 18812 882 1 2 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.430 0.270 18812 883 1 2 . 1 1 77 77 ASP CB C 77 41.100 41.100 41.044 0.056 18812 884 1 2 . 1 1 77 77 ASP H H 77 7.900 7.900 7.816 0.084 18812 885 1 2 . 1 1 78 78 VAL N N 78 118.100 118.100 117.476 0.624 18812 886 1 2 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.128 -0.158 18812 887 1 2 . 1 1 78 78 VAL C C 78 177.800 177.800 175.401 2.399 18812 888 1 2 . 1 1 78 78 VAL CA C 78 64.800 64.800 62.021 2.779 18812 889 1 2 . 1 1 78 78 VAL CB C 78 32.700 32.700 30.691 2.009 18812 890 1 2 . 1 1 78 78 VAL H H 78 7.730 7.730 7.548 0.182 18812 891 1 2 . 1 1 79 79 THR N N 79 109.800 109.800 112.194 -2.394 18812 892 1 2 . 1 1 79 79 THR HA H 79 4.100 4.100 3.802 0.298 18812 893 1 2 . 1 1 79 79 THR C C 79 175.700 175.700 174.721 0.979 18812 894 1 2 . 1 1 79 79 THR CA C 79 69.400 69.400 63.615 5.785 18812 895 1 2 . 1 1 79 79 THR CB C 79 63.100 63.100 67.820 -4.720 18812 896 1 2 . 1 1 79 79 THR H H 79 8.830 8.830 7.609 1.221 18812 897 1 2 . 1 1 80 80 LYS N N 80 115.700 115.700 120.733 -5.033 18812 898 1 2 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.503 -0.493 18812 899 1 2 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.759 -2.059 18812 900 1 2 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.754 -4.354 18812 901 1 2 . 1 1 80 80 LYS H H 80 8.440 8.440 7.819 0.621 18812 902 1 2 . 1 1 81 81 ASP N N 81 119.600 119.600 117.083 2.517 18812 903 1 2 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.340 0.510 18812 904 1 2 . 1 1 81 81 ASP C C 81 174.400 174.400 175.463 -1.063 18812 905 1 2 . 1 1 81 81 ASP CA C 81 51.200 51.200 56.869 -5.669 18812 906 1 2 . 1 1 81 81 ASP CB C 81 44.400 44.400 40.239 4.161 18812 907 1 2 . 1 1 81 81 ASP H H 81 8.140 8.140 8.087 0.053 18812 908 1 2 . 1 1 82 82 GLU N N 82 120.500 120.500 120.322 0.178 18812 909 1 2 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.804 -0.354 18812 910 1 2 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.474 0.726 18812 911 1 2 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.719 -0.819 18812 912 1 2 . 1 1 82 82 GLU H H 82 8.810 8.810 8.112 0.698 18812 913 1 2 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.851 -0.201 18812 914 1 2 . 1 1 83 83 PRO C C 83 176.900 176.900 176.240 0.660 18812 915 1 2 . 1 1 83 83 PRO CA C 83 62.400 62.400 62.083 0.317 18812 916 1 2 . 1 1 83 83 PRO CB C 83 32.600 32.600 30.900 1.700 18812 917 1 2 . 1 1 84 84 THR N N 84 115.300 115.300 117.275 -1.975 18812 918 1 2 . 1 1 84 84 THR HA H 84 4.590 4.590 4.373 0.217 18812 919 1 2 . 1 1 84 84 THR C C 84 175.000 175.000 175.728 -0.728 18812 920 1 2 . 1 1 84 84 THR CA C 84 59.800 59.800 59.882 -0.082 18812 921 1 2 . 1 1 84 84 THR CB C 84 71.700 71.700 71.060 0.640 18812 922 1 2 . 1 1 84 84 THR H H 84 9.550 9.550 8.426 1.124 18812 923 1 2 . 1 1 85 85 ALA N N 85 124.400 124.400 127.356 -2.956 18812 924 1 2 . 1 1 85 85 ALA HA H 85 4.060 4.060 4.061 -0.001 18812 925 1 2 . 1 1 85 85 ALA C C 85 180.900 180.900 179.482 1.418 18812 926 1 2 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.453 -0.152 18812 927 1 2 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.500 -0.500 18812 928 1 2 . 1 1 85 85 ALA H H 85 8.970 8.970 8.832 0.138 18812 929 1 2 . 1 1 86 86 GLN N N 86 116.500 116.500 118.284 -1.784 18812 930 1 2 . 1 1 86 86 GLN HA H 86 4.120 4.120 3.978 0.142 18812 931 1 2 . 1 1 86 86 GLN CA C 86 58.900 58.900 59.331 -0.431 18812 932 1 2 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.376 -0.276 18812 933 1 2 . 1 1 86 86 GLN H H 86 8.680 8.680 7.965 0.715 18812 934 1 2 . 1 1 87 87 ASP N N 87 122.300 122.300 120.392 1.908 18812 935 1 2 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.394 0.206 18812 936 1 2 . 1 1 87 87 ASP C C 87 178.200 178.200 178.772 -0.572 18812 937 1 2 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.368 0.432 18812 938 1 2 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.468 -0.768 18812 939 1 2 . 1 1 87 87 ASP H H 87 7.820 7.820 7.733 0.087 18812 940 1 2 . 1 1 88 88 ILE N N 88 120.900 120.900 119.871 1.029 18812 941 1 2 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.708 -0.228 18812 942 1 2 . 1 1 88 88 ILE C C 88 177.800 177.800 178.203 -0.403 18812 943 1 2 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.679 1.121 18812 944 1 2 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.728 0.572 18812 945 1 2 . 1 1 88 88 ILE H H 88 8.160 8.160 8.185 -0.025 18812 946 1 2 . 1 1 89 89 SER N N 89 113.200 113.200 115.234 -2.034 18812 947 1 2 . 1 1 89 89 SER HA H 89 4.240 4.240 4.105 0.135 18812 948 1 2 . 1 1 89 89 SER C C 89 177.200 177.200 176.675 0.525 18812 949 1 2 . 1 1 89 89 SER CA C 89 61.700 61.700 62.085 -0.385 18812 950 1 2 . 1 1 89 89 SER CB C 89 62.700 62.700 63.049 -0.349 18812 951 1 2 . 1 1 89 89 SER H H 89 7.970 7.970 8.179 -0.209 18812 952 1 2 . 1 1 90 90 ARG N N 90 123.100 123.100 121.384 1.716 18812 953 1 2 . 1 1 90 90 ARG HA H 90 4.110 4.110 3.967 0.143 18812 954 1 2 . 1 1 90 90 ARG CA C 90 59.900 59.900 59.665 0.235 18812 955 1 2 . 1 1 90 90 ARG CB C 90 31.700 31.700 30.231 1.469 18812 956 1 2 . 1 1 90 90 ARG H H 90 8.450 8.450 7.964 0.486 18812 957 1 2 . 1 1 91 91 VAL N N 91 119.200 119.200 119.819 -0.619 18812 958 1 2 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.614 -0.184 18812 959 1 2 . 1 1 91 91 VAL C C 91 177.300 177.300 177.862 -0.562 18812 960 1 2 . 1 1 91 91 VAL CA C 91 66.800 66.800 66.532 0.268 18812 961 1 2 . 1 1 91 91 VAL CB C 91 31.700 31.700 31.622 0.078 18812 962 1 2 . 1 1 91 91 VAL H H 91 8.140 8.140 8.306 -0.166 18812 963 1 2 . 1 1 92 92 ALA N N 92 121.100 121.100 121.509 -0.409 18812 964 1 2 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.968 -0.008 18812 965 1 2 . 1 1 92 92 ALA C C 92 179.200 179.200 179.816 -0.616 18812 966 1 2 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.468 0.432 18812 967 1 2 . 1 1 92 92 ALA CB C 92 18.400 18.400 18.077 0.323 18812 968 1 2 . 1 1 92 92 ALA H H 92 9.020 9.020 8.575 0.445 18812 969 1 2 . 1 1 93 93 SER N N 93 112.100 112.100 114.947 -2.847 18812 970 1 2 . 1 1 93 93 SER HA H 93 4.240 4.240 4.214 0.026 18812 971 1 2 . 1 1 93 93 SER C C 93 177.300 177.300 177.022 0.278 18812 972 1 2 . 1 1 93 93 SER CA C 93 62.000 62.000 61.961 0.039 18812 973 1 2 . 1 1 93 93 SER CB C 93 62.700 62.700 62.682 0.018 18812 974 1 2 . 1 1 93 93 SER H H 93 8.730 8.730 8.187 0.543 18812 975 1 2 . 1 1 94 94 ARG N N 94 122.500 122.500 121.581 0.919 18812 976 1 2 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.093 0.167 18812 977 1 2 . 1 1 94 94 ARG C C 94 179.900 179.900 178.812 1.088 18812 978 1 2 . 1 1 94 94 ARG CA C 94 57.800 57.800 57.927 -0.127 18812 979 1 2 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.553 -0.353 18812 980 1 2 . 1 1 94 94 ARG H H 94 7.520 7.520 8.034 -0.514 18812 981 1 2 . 1 1 95 95 LEU N N 95 121.500 121.500 116.744 4.756 18812 982 1 2 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.238 0.002 18812 983 1 2 . 1 1 95 95 LEU C C 95 179.000 179.000 177.851 1.149 18812 984 1 2 . 1 1 95 95 LEU CA C 95 58.100 58.100 57.678 0.422 18812 985 1 2 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.792 1.008 18812 986 1 2 . 1 1 95 95 LEU H H 95 8.350 8.350 8.081 0.269 18812 987 1 2 . 1 1 96 96 ALA N N 96 121.900 121.900 120.718 1.182 18812 988 1 2 . 1 1 96 96 ALA HA H 96 4.320 4.320 4.067 0.253 18812 989 1 2 . 1 1 96 96 ALA C C 96 182.200 182.200 180.147 2.053 18812 990 1 2 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.613 0.487 18812 991 1 2 . 1 1 96 96 ALA CB C 96 18.000 18.000 18.427 -0.427 18812 992 1 2 . 1 1 96 96 ALA H H 96 8.740 8.740 8.181 0.559 18812 993 1 2 . 1 1 97 97 ALA N N 97 121.400 121.400 120.962 0.438 18812 994 1 2 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.066 0.164 18812 995 1 2 . 1 1 97 97 ALA C C 97 179.200 179.200 178.729 0.471 18812 996 1 2 . 1 1 97 97 ALA CA C 97 54.600 54.600 54.291 0.309 18812 997 1 2 . 1 1 97 97 ALA CB C 97 18.000 18.000 18.818 -0.818 18812 998 1 2 . 1 1 97 97 ALA H H 97 8.190 8.190 8.006 0.184 18812 999 1 2 . 1 1 98 98 GLY N N 98 103.500 103.500 104.822 -1.322 18812 1000 1 2 . 1 1 98 98 GLY C C 98 173.700 173.700 174.526 -0.826 18812 1001 1 2 . 1 1 98 98 GLY CA C 98 44.800 44.800 44.145 0.655 18812 1002 1 2 . 1 1 98 98 GLY H H 98 7.710 7.710 7.928 -0.218 18812 1003 1 2 . 1 1 99 99 GLY N N 99 107.600 107.600 109.869 -2.269 18812 1004 1 2 . 1 1 99 99 GLY CA C 99 45.200 45.200 44.997 0.203 18812 1005 1 2 . 1 1 99 99 GLY H H 99 7.710 7.710 7.463 0.247 18812 1006 1 2 . 1 1 100 100 TRP N N 100 123.600 123.600 127.130 -3.530 18812 1007 1 2 . 1 1 100 100 TRP CB C 100 52.300 52.300 27.931 24.369 18812 1008 1 2 . 1 1 100 100 TRP H H 100 7.820 7.820 8.107 -0.287 18812 1009 1 2 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.138 -0.208 18812 1010 1 2 . 1 1 101 101 PRO C C 101 175.600 175.600 175.689 -0.089 18812 1011 1 2 . 1 1 101 101 PRO CA C 101 62.600 62.600 64.491 -1.891 18812 1012 1 2 . 1 1 101 101 PRO CB C 101 34.200 34.200 30.643 3.557 18812 1013 1 2 . 1 1 102 102 LEU N N 102 122.800 122.800 118.501 4.299 18812 1014 1 2 . 1 1 102 102 LEU H H 102 8.470 8.470 7.502 0.968 18812 1015 1 2 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.310 0.350 18812 1016 1 2 . 1 1 103 103 ALA C C 103 177.100 177.100 177.929 -0.829 18812 1017 1 2 . 1 1 103 103 ALA CA C 103 51.500 51.500 52.280 -0.780 18812 1018 1 2 . 1 1 103 103 ALA CB C 103 21.700 21.700 18.871 2.829 18812 1019 1 2 . 1 1 104 104 GLY N N 104 108.500 108.500 110.753 -2.253 18812 1020 1 2 . 1 1 104 104 GLY C C 104 173.900 173.900 174.512 -0.612 18812 1021 1 2 . 1 1 104 104 GLY CA C 104 45.900 45.900 44.457 1.443 18812 1022 1 2 . 1 1 104 104 GLY H H 104 8.700 8.700 8.423 0.277 18812 1023 1 2 . 1 1 105 105 VAL N N 105 116.700 116.700 118.884 -2.184 18812 1024 1 2 . 1 1 105 105 VAL HA H 105 4.220 4.220 3.965 0.255 18812 1025 1 2 . 1 1 105 105 VAL C C 105 174.700 174.700 175.312 -0.612 18812 1026 1 2 . 1 1 105 105 VAL CA C 105 61.000 61.000 61.908 -0.908 18812 1027 1 2 . 1 1 105 105 VAL CB C 105 33.100 33.100 30.393 2.707 18812 1028 1 2 . 1 1 105 105 VAL H H 105 7.660 7.660 7.536 0.124 18812 1029 1 2 . 1 1 106 106 ASP N N 106 125.100 125.100 128.479 -3.379 18812 1030 1 2 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.671 -0.001 18812 1031 1 2 . 1 1 106 106 ASP C C 106 176.500 176.500 175.998 0.502 18812 1032 1 2 . 1 1 106 106 ASP CA C 106 54.000 54.000 53.578 0.422 18812 1033 1 2 . 1 1 106 106 ASP CB C 106 41.300 41.300 42.936 -1.636 18812 1034 1 2 . 1 1 106 106 ASP H H 106 8.600 8.600 8.131 0.469 18812 1035 1 2 . 1 1 107 107 SER N N 107 117.400 117.400 117.380 0.020 18812 1036 1 2 . 1 1 107 107 SER HA H 107 4.320 4.320 4.501 -0.181 18812 1037 1 2 . 1 1 107 107 SER C C 107 175.400 175.400 175.518 -0.118 18812 1038 1 2 . 1 1 107 107 SER CA C 107 59.500 59.500 59.891 -0.390 18812 1039 1 2 . 1 1 107 107 SER CB C 107 63.200 63.200 64.159 -0.959 18812 1040 1 2 . 1 1 107 107 SER H H 107 8.560 8.560 8.481 0.079 18812 1041 1 2 . 1 1 108 108 THR N N 108 115.100 115.100 118.040 -2.940 18812 1042 1 2 . 1 1 108 108 THR HA H 108 4.260 4.260 4.190 0.070 18812 1043 1 2 . 1 1 108 108 THR C C 108 174.800 174.800 175.116 -0.316 18812 1044 1 2 . 1 1 108 108 THR CA C 108 63.000 63.000 62.803 0.197 18812 1045 1 2 . 1 1 108 108 THR CB C 108 69.300 69.300 68.879 0.421 18812 1046 1 2 . 1 1 108 108 THR H H 108 8.230 8.230 8.173 0.057 18812 1047 1 2 . 1 1 109 109 ALA N N 109 125.000 125.000 123.959 1.041 18812 1048 1 2 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.546 -0.186 18812 1049 1 2 . 1 1 109 109 ALA C C 109 177.500 177.500 176.729 0.771 18812 1050 1 2 . 1 1 109 109 ALA CA C 109 52.500 52.500 51.819 0.681 18812 1051 1 2 . 1 1 109 109 ALA CB C 109 19.100 19.100 18.977 0.124 18812 1052 1 2 . 1 1 109 109 ALA H H 109 8.020 8.020 8.085 -0.065 18812 1053 1 2 . 1 1 110 110 LEU N N 110 119.400 119.400 119.900 -0.500 18812 1054 1 2 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.560 -0.210 18812 1055 1 2 . 1 1 110 110 LEU C C 110 176.800 176.800 176.141 0.659 18812 1056 1 2 . 1 1 110 110 LEU CA C 110 55.000 55.000 55.048 -0.048 18812 1057 1 2 . 1 1 110 110 LEU CB C 110 42.000 42.000 43.371 -1.371 18812 1058 1 2 . 1 1 110 110 LEU H H 110 7.880 7.880 7.662 0.218 18812 1059 1 2 . 1 1 111 111 ASN N N 111 118.700 118.700 123.986 -5.286 18812 1060 1 2 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.450 0.280 18812 1061 1 2 . 1 1 111 111 ASN C C 111 173.600 173.600 174.823 -1.223 18812 1062 1 2 . 1 1 111 111 ASN CA C 111 52.900 52.900 54.611 -1.711 18812 1063 1 2 . 1 1 111 111 ASN CB C 111 39.000 39.000 38.997 0.003 18812 1064 1 2 . 1 1 111 111 ASN H H 111 8.230 8.230 8.725 -0.495 18812 1065 1 3 . 1 1 10 10 GLY C C 10 174.100 174.100 174.366 -0.266 18812 1066 1 3 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.354 -0.054 18812 1067 1 3 . 1 1 10 10 GLY H H 10 8.500 8.500 8.804 -0.304 18812 1068 1 3 . 1 1 11 11 THR N N 11 113.700 113.700 118.890 -5.190 18812 1069 1 3 . 1 1 11 11 THR HA H 11 4.350 4.350 4.609 -0.259 18812 1070 1 3 . 1 1 11 11 THR C C 11 174.700 174.700 173.520 1.180 18812 1071 1 3 . 1 1 11 11 THR CA C 11 62.000 62.000 62.719 -0.719 18812 1072 1 3 . 1 1 11 11 THR CB C 11 69.800 69.800 68.711 1.089 18812 1073 1 3 . 1 1 11 11 THR H H 11 8.100 8.100 8.245 -0.145 18812 1074 1 3 . 1 1 12 12 LEU N N 12 124.100 124.100 122.602 1.498 18812 1075 1 3 . 1 1 12 12 LEU C C 12 177.600 177.600 175.099 2.501 18812 1076 1 3 . 1 1 12 12 LEU CA C 12 55.400 55.400 54.432 0.968 18812 1077 1 3 . 1 1 12 12 LEU CB C 12 42.000 42.000 44.791 -2.791 18812 1078 1 3 . 1 1 12 12 LEU H H 12 8.380 8.380 7.977 0.403 18812 1079 1 3 . 1 1 13 13 GLU N N 13 121.500 121.500 122.038 -0.538 18812 1080 1 3 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.531 -0.311 18812 1081 1 3 . 1 1 13 13 GLU C C 13 176.300 176.300 174.354 1.946 18812 1082 1 3 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.109 0.791 18812 1083 1 3 . 1 1 13 13 GLU CB C 13 29.600 29.600 32.217 -2.617 18812 1084 1 3 . 1 1 13 13 GLU H H 13 8.440 8.440 8.755 -0.315 18812 1085 1 3 . 1 1 14 14 ALA N N 14 124.300 124.300 127.198 -2.898 18812 1086 1 3 . 1 1 14 14 ALA CA C 14 52.600 52.600 52.054 0.546 18812 1087 1 3 . 1 1 14 14 ALA CB C 14 19.000 19.000 20.093 -1.093 18812 1088 1 3 . 1 1 14 14 ALA H H 14 8.280 8.280 8.339 -0.059 18812 1089 1 3 . 1 1 15 15 GLN N N 15 118.700 118.700 122.388 -3.688 18812 1090 1 3 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.527 -0.127 18812 1091 1 3 . 1 1 15 15 GLN C C 15 176.300 176.300 174.962 1.338 18812 1092 1 3 . 1 1 15 15 GLN CA C 15 55.800 55.800 54.983 0.817 18812 1093 1 3 . 1 1 15 15 GLN CB C 15 29.300 29.300 29.535 -0.235 18812 1094 1 3 . 1 1 15 15 GLN H H 15 8.360 8.360 8.199 0.161 18812 1095 1 3 . 1 1 16 16 THR N N 16 114.800 114.800 118.575 -3.775 18812 1096 1 3 . 1 1 16 16 THR C C 16 174.400 174.400 174.084 0.316 18812 1097 1 3 . 1 1 16 16 THR CA C 16 62.000 62.000 62.079 -0.079 18812 1098 1 3 . 1 1 16 16 THR CB C 16 69.700 69.700 69.823 -0.124 18812 1099 1 3 . 1 1 16 16 THR H H 16 8.200 8.200 8.381 -0.181 18812 1100 1 3 . 1 1 17 17 GLN N N 17 122.200 122.200 127.462 -5.262 18812 1101 1 3 . 1 1 17 17 GLN C C 17 175.900 175.900 176.213 -0.313 18812 1102 1 3 . 1 1 17 17 GLN CA C 17 55.500 55.500 54.780 0.720 18812 1103 1 3 . 1 1 17 17 GLN CB C 17 29.600 29.600 29.531 0.069 18812 1104 1 3 . 1 1 17 17 GLN H H 17 8.430 8.430 8.688 -0.258 18812 1105 1 3 . 1 1 18 18 GLY N N 18 110.100 110.100 117.811 -7.711 18812 1106 1 3 . 1 1 18 18 GLY CA C 18 44.500 44.500 45.518 -1.018 18812 1107 1 3 . 1 1 18 18 GLY H H 18 8.360 8.360 8.479 -0.119 18812 1108 1 3 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.450 0.010 18812 1109 1 3 . 1 1 19 19 PRO C C 19 177.700 177.700 177.082 0.618 18812 1110 1 3 . 1 1 19 19 PRO CA C 19 63.600 63.600 62.878 0.722 18812 1111 1 3 . 1 1 19 19 PRO CB C 19 31.900 31.900 31.831 0.069 18812 1112 1 3 . 1 1 20 20 GLY N N 20 109.600 109.600 108.336 1.264 18812 1113 1 3 . 1 1 20 20 GLY C C 20 174.100 174.100 174.249 -0.149 18812 1114 1 3 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.415 -0.215 18812 1115 1 3 . 1 1 20 20 GLY H H 20 8.630 8.630 7.963 0.667 18812 1116 1 3 . 1 1 21 21 SER N N 21 115.300 115.300 115.354 -0.054 18812 1117 1 3 . 1 1 21 21 SER HA H 21 4.460 4.460 4.722 -0.262 18812 1118 1 3 . 1 1 21 21 SER C C 21 174.100 174.100 172.779 1.321 18812 1119 1 3 . 1 1 21 21 SER CA C 21 58.300 58.300 58.660 -0.360 18812 1120 1 3 . 1 1 21 21 SER CB C 21 63.900 63.900 63.437 0.463 18812 1121 1 3 . 1 1 21 21 SER H H 21 8.150 8.150 8.301 -0.151 18812 1122 1 3 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.364 0.076 18812 1123 1 3 . 1 1 22 22 PRO C C 22 176.800 176.800 175.363 1.437 18812 1124 1 3 . 1 1 22 22 PRO CA C 22 63.100 63.100 63.150 -0.050 18812 1125 1 3 . 1 1 22 22 PRO CB C 22 32.100 32.100 30.619 1.481 18812 1126 1 3 . 1 1 23 23 GLU N N 23 120.900 120.900 123.877 -2.977 18812 1127 1 3 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.381 -0.101 18812 1128 1 3 . 1 1 23 23 GLU C C 23 177.000 177.000 177.106 -0.106 18812 1129 1 3 . 1 1 23 23 GLU CA C 23 56.600 56.600 55.647 0.953 18812 1130 1 3 . 1 1 23 23 GLU CB C 23 30.400 30.400 30.472 -0.072 18812 1131 1 3 . 1 1 23 23 GLU H H 23 8.630 8.630 7.995 0.635 18812 1132 1 3 . 1 1 24 24 GLY N N 24 109.800 109.800 113.128 -3.328 18812 1133 1 3 . 1 1 24 24 GLY C C 24 173.600 173.600 173.804 -0.204 18812 1134 1 3 . 1 1 24 24 GLY CA C 24 45.100 45.100 45.545 -0.445 18812 1135 1 3 . 1 1 24 24 GLY H H 24 8.450 8.450 8.619 -0.169 18812 1136 1 3 . 1 1 25 25 VAL N N 25 120.600 120.600 116.688 3.912 18812 1137 1 3 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.614 -0.154 18812 1138 1 3 . 1 1 25 25 VAL CA C 25 59.700 59.700 58.454 1.246 18812 1139 1 3 . 1 1 25 25 VAL CB C 25 32.600 32.600 33.066 -0.466 18812 1140 1 3 . 1 1 25 25 VAL H H 25 7.990 7.990 7.459 0.531 18812 1141 1 3 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.422 0.098 18812 1142 1 3 . 1 1 27 27 PRO C C 27 177.200 177.200 176.085 1.115 18812 1143 1 3 . 1 1 27 27 PRO CA C 27 63.100 63.100 62.853 0.247 18812 1144 1 3 . 1 1 27 27 PRO CB C 27 32.000 32.000 29.870 2.130 18812 1145 1 3 . 1 1 28 28 THR N N 28 113.000 113.000 116.061 -3.061 18812 1146 1 3 . 1 1 28 28 THR HA H 28 4.270 4.270 3.950 0.320 18812 1147 1 3 . 1 1 28 28 THR C C 28 174.400 174.400 175.026 -0.626 18812 1148 1 3 . 1 1 28 28 THR CA C 28 62.000 62.000 64.522 -2.522 18812 1149 1 3 . 1 1 28 28 THR CB C 28 69.700 69.700 68.365 1.335 18812 1150 1 3 . 1 1 28 28 THR H H 28 8.160 8.160 7.935 0.225 18812 1151 1 3 . 1 1 29 29 ASP N N 29 122.100 122.100 121.495 0.605 18812 1152 1 3 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.533 0.047 18812 1153 1 3 . 1 1 29 29 ASP CA C 29 54.300 54.300 56.278 -1.978 18812 1154 1 3 . 1 1 29 29 ASP CB C 29 40.900 40.900 41.522 -0.622 18812 1155 1 3 . 1 1 29 29 ASP H H 29 8.290 8.290 8.259 0.031 18812 1156 1 3 . 1 1 30 30 ARG N N 30 120.300 120.300 117.140 3.160 18812 1157 1 3 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.308 -0.118 18812 1158 1 3 . 1 1 30 30 ARG C C 30 175.600 175.600 174.099 1.501 18812 1159 1 3 . 1 1 30 30 ARG CA C 30 56.200 56.200 55.926 0.274 18812 1160 1 3 . 1 1 30 30 ARG CB C 30 30.800 30.800 30.879 -0.079 18812 1161 1 3 . 1 1 30 30 ARG H H 30 8.070 8.070 7.259 0.811 18812 1162 1 3 . 1 1 31 31 PHE N N 31 120.500 120.500 124.293 -3.793 18812 1163 1 3 . 1 1 31 31 PHE CB C 31 38.800 38.800 38.875 -0.075 18812 1164 1 3 . 1 1 31 31 PHE H H 31 8.240 8.240 8.596 -0.356 18812 1165 1 3 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.291 0.149 18812 1166 1 3 . 1 1 32 32 PRO C C 32 177.200 177.200 175.950 1.250 18812 1167 1 3 . 1 1 32 32 PRO CA C 32 63.400 63.400 64.144 -0.744 18812 1168 1 3 . 1 1 32 32 PRO CB C 32 31.700 31.700 31.867 -0.167 18812 1169 1 3 . 1 1 33 33 LEU N N 33 121.000 121.000 120.265 0.735 18812 1170 1 3 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.599 -0.269 18812 1171 1 3 . 1 1 33 33 LEU CA C 33 55.600 55.600 53.504 2.096 18812 1172 1 3 . 1 1 33 33 LEU CB C 33 42.100 42.100 42.539 -0.439 18812 1173 1 3 . 1 1 33 33 LEU H H 33 8.290 8.290 7.813 0.477 18812 1174 1 3 . 1 1 34 34 LEU N N 34 122.100 122.100 125.062 -2.962 18812 1175 1 3 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.417 -0.107 18812 1176 1 3 . 1 1 34 34 LEU C C 34 177.300 177.300 176.889 0.411 18812 1177 1 3 . 1 1 34 34 LEU CA C 34 55.200 55.200 54.959 0.241 18812 1178 1 3 . 1 1 34 34 LEU CB C 34 41.900 41.900 40.879 1.022 18812 1179 1 3 . 1 1 34 34 LEU H H 34 8.110 8.110 8.776 -0.666 18812 1180 1 3 . 1 1 35 35 ALA N N 35 123.400 123.400 127.305 -3.905 18812 1181 1 3 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.449 -0.169 18812 1182 1 3 . 1 1 35 35 ALA C C 35 177.600 177.600 177.247 0.353 18812 1183 1 3 . 1 1 35 35 ALA CA C 35 52.700 52.700 52.577 0.123 18812 1184 1 3 . 1 1 35 35 ALA CB C 35 18.800 18.800 19.463 -0.663 18812 1185 1 3 . 1 1 35 35 ALA H H 35 8.140 8.140 8.641 -0.501 18812 1186 1 3 . 1 1 36 36 LEU N N 36 120.000 120.000 122.024 -2.024 18812 1187 1 3 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.493 -0.233 18812 1188 1 3 . 1 1 36 36 LEU CA C 36 55.500 55.500 54.216 1.284 18812 1189 1 3 . 1 1 36 36 LEU CB C 36 42.000 42.000 40.078 1.922 18812 1190 1 3 . 1 1 36 36 LEU H H 36 7.990 7.990 7.826 0.164 18812 1191 1 3 . 1 1 37 37 LEU N N 37 122.700 122.700 121.685 1.015 18812 1192 1 3 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.697 -0.317 18812 1193 1 3 . 1 1 37 37 LEU C C 37 177.100 177.100 176.812 0.288 18812 1194 1 3 . 1 1 37 37 LEU CA C 37 55.000 55.000 54.982 0.018 18812 1195 1 3 . 1 1 37 37 LEU CB C 37 42.100 42.100 42.598 -0.498 18812 1196 1 3 . 1 1 37 37 LEU H H 37 8.190 8.190 8.011 0.179 18812 1197 1 3 . 1 1 38 38 ARG N N 38 121.600 121.600 122.269 -0.669 18812 1198 1 3 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.572 -0.102 18812 1199 1 3 . 1 1 38 38 ARG C C 38 176.200 176.200 175.837 0.363 18812 1200 1 3 . 1 1 38 38 ARG CA C 38 55.100 55.100 54.516 0.584 18812 1201 1 3 . 1 1 38 38 ARG CB C 38 31.200 31.200 31.813 -0.613 18812 1202 1 3 . 1 1 38 38 ARG H H 38 8.040 8.040 8.288 -0.248 18812 1203 1 3 . 1 1 39 39 ARG N N 39 123.600 123.600 119.123 4.477 18812 1204 1 3 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.365 0.005 18812 1205 1 3 . 1 1 39 39 ARG C C 39 175.500 175.500 176.276 -0.776 18812 1206 1 3 . 1 1 39 39 ARG CA C 39 56.700 56.700 57.314 -0.614 18812 1207 1 3 . 1 1 39 39 ARG CB C 39 31.200 31.200 30.889 0.311 18812 1208 1 3 . 1 1 39 39 ARG H H 39 8.840 8.840 8.508 0.332 18812 1209 1 3 . 1 1 40 40 THR N N 40 113.900 113.900 113.622 0.278 18812 1210 1 3 . 1 1 40 40 THR HA H 40 4.770 4.770 4.190 0.580 18812 1211 1 3 . 1 1 40 40 THR C C 40 175.300 175.300 174.037 1.263 18812 1212 1 3 . 1 1 40 40 THR CA C 40 59.500 59.500 61.708 -2.208 18812 1213 1 3 . 1 1 40 40 THR CB C 40 71.700 71.700 69.064 2.636 18812 1214 1 3 . 1 1 40 40 THR H H 40 8.150 8.150 7.845 0.305 18812 1215 1 3 . 1 1 41 41 LEU N N 41 123.100 123.100 129.028 -5.928 18812 1216 1 3 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.367 0.103 18812 1217 1 3 . 1 1 41 41 LEU C C 41 179.700 179.700 177.024 2.676 18812 1218 1 3 . 1 1 41 41 LEU CA C 41 54.900 54.900 54.452 0.448 18812 1219 1 3 . 1 1 41 41 LEU CB C 41 43.000 43.000 41.043 1.957 18812 1220 1 3 . 1 1 41 41 LEU H H 41 9.480 9.480 8.663 0.817 18812 1221 1 3 . 1 1 42 42 THR N N 42 115.100 115.100 120.693 -5.593 18812 1222 1 3 . 1 1 42 42 THR HA H 42 4.580 4.580 4.212 0.368 18812 1223 1 3 . 1 1 42 42 THR C C 42 175.400 175.400 175.846 -0.446 18812 1224 1 3 . 1 1 42 42 THR CA C 42 60.900 60.900 61.795 -0.895 18812 1225 1 3 . 1 1 42 42 THR CB C 42 70.600 70.600 70.484 0.116 18812 1226 1 3 . 1 1 42 42 THR H H 42 8.790 8.790 8.096 0.694 18812 1227 1 3 . 1 1 43 43 GLU N N 43 121.400 121.400 123.698 -2.298 18812 1228 1 3 . 1 1 43 43 GLU HA H 43 4.020 4.020 3.986 0.034 18812 1229 1 3 . 1 1 43 43 GLU C C 43 179.100 179.100 178.764 0.336 18812 1230 1 3 . 1 1 43 43 GLU CA C 43 59.700 59.700 60.222 -0.522 18812 1231 1 3 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.459 -0.559 18812 1232 1 3 . 1 1 43 43 GLU H H 43 9.020 9.020 8.952 0.068 18812 1233 1 3 . 1 1 44 44 GLU N N 44 118.300 118.300 118.759 -0.459 18812 1234 1 3 . 1 1 44 44 GLU HA H 44 4.020 4.020 4.008 0.012 18812 1235 1 3 . 1 1 44 44 GLU C C 44 179.700 179.700 179.224 0.476 18812 1236 1 3 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.414 0.786 18812 1237 1 3 . 1 1 44 44 GLU CB C 44 29.000 29.000 29.217 -0.217 18812 1238 1 3 . 1 1 44 44 GLU H H 44 8.810 8.810 8.005 0.805 18812 1239 1 3 . 1 1 45 45 GLN N N 45 119.300 119.300 118.147 1.153 18812 1240 1 3 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.118 0.102 18812 1241 1 3 . 1 1 45 45 GLN C C 45 178.500 178.500 178.702 -0.202 18812 1242 1 3 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.448 -0.148 18812 1243 1 3 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.378 0.822 18812 1244 1 3 . 1 1 45 45 GLN H H 45 7.800 7.800 7.710 0.091 18812 1245 1 3 . 1 1 46 46 VAL N N 46 121.000 121.000 120.988 0.012 18812 1246 1 3 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.663 -0.263 18812 1247 1 3 . 1 1 46 46 VAL C C 46 177.500 177.500 178.269 -0.769 18812 1248 1 3 . 1 1 46 46 VAL CA C 46 67.600 67.600 66.367 1.233 18812 1249 1 3 . 1 1 46 46 VAL CB C 46 31.300 31.300 30.868 0.432 18812 1250 1 3 . 1 1 46 46 VAL H H 46 8.420 8.420 8.319 0.101 18812 1251 1 3 . 1 1 47 47 GLN N N 47 115.900 115.900 118.058 -2.158 18812 1252 1 3 . 1 1 47 47 GLN HA H 47 3.890 3.890 3.906 -0.016 18812 1253 1 3 . 1 1 47 47 GLN C C 47 178.500 178.500 178.435 0.065 18812 1254 1 3 . 1 1 47 47 GLN CA C 47 58.800 58.800 59.211 -0.411 18812 1255 1 3 . 1 1 47 47 GLN CB C 47 27.700 27.700 28.257 -0.557 18812 1256 1 3 . 1 1 47 47 GLN H H 47 7.470 7.470 8.648 -1.178 18812 1257 1 3 . 1 1 48 48 GLU N N 48 121.400 121.400 121.102 0.298 18812 1258 1 3 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.030 0.090 18812 1259 1 3 . 1 1 48 48 GLU C C 48 178.500 178.500 178.823 -0.323 18812 1260 1 3 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.707 -0.407 18812 1261 1 3 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.442 0.357 18812 1262 1 3 . 1 1 48 48 GLU H H 48 7.940 7.940 8.058 -0.118 18812 1263 1 3 . 1 1 49 49 VAL N N 49 120.300 120.300 120.616 -0.316 18812 1264 1 3 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.657 -0.067 18812 1265 1 3 . 1 1 49 49 VAL CA C 49 67.200 67.200 66.821 0.379 18812 1266 1 3 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.597 -0.097 18812 1267 1 3 . 1 1 49 49 VAL H H 49 8.580 8.580 8.228 0.352 18812 1268 1 3 . 1 1 50 50 VAL N N 50 118.700 118.700 119.314 -0.614 18812 1269 1 3 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.518 -0.298 18812 1270 1 3 . 1 1 50 50 VAL C C 50 178.600 178.600 177.908 0.692 18812 1271 1 3 . 1 1 50 50 VAL CA C 50 67.500 67.500 66.669 0.830 18812 1272 1 3 . 1 1 50 50 VAL CB C 50 31.400 31.400 30.997 0.403 18812 1273 1 3 . 1 1 50 50 VAL H H 50 8.350 8.350 8.382 -0.032 18812 1274 1 3 . 1 1 51 51 ALA N N 51 123.200 123.200 122.928 0.272 18812 1275 1 3 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.097 -0.267 18812 1276 1 3 . 1 1 51 51 ALA C C 51 180.100 180.100 178.785 1.315 18812 1277 1 3 . 1 1 51 51 ALA CA C 51 55.300 55.300 54.882 0.418 18812 1278 1 3 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.616 -0.916 18812 1279 1 3 . 1 1 51 51 ALA H H 51 8.320 8.320 8.071 0.249 18812 1280 1 3 . 1 1 52 52 LYS N N 52 117.200 117.200 117.364 -0.164 18812 1281 1 3 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.061 0.059 18812 1282 1 3 . 1 1 52 52 LYS C C 52 180.200 180.200 179.268 0.932 18812 1283 1 3 . 1 1 52 52 LYS CA C 52 59.200 59.200 58.150 1.050 18812 1284 1 3 . 1 1 52 52 LYS CB C 52 32.700 32.700 32.222 0.478 18812 1285 1 3 . 1 1 52 52 LYS H H 52 8.170 8.170 7.809 0.361 18812 1286 1 3 . 1 1 53 53 LEU N N 53 118.600 118.600 118.733 -0.133 18812 1287 1 3 . 1 1 53 53 LEU HA H 53 3.390 3.390 3.719 -0.329 18812 1288 1 3 . 1 1 53 53 LEU C C 53 176.300 176.300 178.296 -1.996 18812 1289 1 3 . 1 1 53 53 LEU CA C 53 56.300 56.300 57.095 -0.795 18812 1290 1 3 . 1 1 53 53 LEU CB C 53 44.300 44.300 41.878 2.422 18812 1291 1 3 . 1 1 53 53 LEU H H 53 8.170 8.170 8.179 -0.009 18812 1292 1 3 . 1 1 54 54 THR N N 54 103.000 103.000 106.727 -3.727 18812 1293 1 3 . 1 1 54 54 THR HA H 54 3.490 3.490 4.174 -0.684 18812 1294 1 3 . 1 1 54 54 THR C C 54 173.600 173.600 174.731 -1.131 18812 1295 1 3 . 1 1 54 54 THR CA C 54 60.800 60.800 62.523 -1.723 18812 1296 1 3 . 1 1 54 54 THR CB C 54 69.700 69.700 69.005 0.695 18812 1297 1 3 . 1 1 54 54 THR H H 54 6.990 6.990 7.603 -0.613 18812 1298 1 3 . 1 1 55 55 ASP N N 55 126.400 126.400 123.834 2.566 18812 1299 1 3 . 1 1 55 55 ASP HA H 55 4.630 4.630 5.055 -0.425 18812 1300 1 3 . 1 1 55 55 ASP CA C 55 52.600 52.600 50.708 1.892 18812 1301 1 3 . 1 1 55 55 ASP CB C 55 42.200 42.200 42.431 -0.231 18812 1302 1 3 . 1 1 55 55 ASP H H 55 6.900 6.900 7.742 -0.842 18812 1303 1 3 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.545 -0.205 18812 1304 1 3 . 1 1 56 56 PRO C C 56 178.500 178.500 178.323 0.177 18812 1305 1 3 . 1 1 56 56 PRO CA C 56 65.100 65.100 64.478 0.621 18812 1306 1 3 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.244 -0.144 18812 1307 1 3 . 1 1 57 57 GLU N N 57 115.700 115.700 119.534 -3.834 18812 1308 1 3 . 1 1 57 57 GLU C C 57 176.300 176.300 178.517 -2.217 18812 1309 1 3 . 1 1 57 57 GLU CA C 57 59.600 59.600 58.636 0.964 18812 1310 1 3 . 1 1 57 57 GLU CB C 57 29.400 29.400 29.371 0.029 18812 1311 1 3 . 1 1 57 57 GLU H H 57 8.640 8.640 7.821 0.820 18812 1312 1 3 . 1 1 58 58 SER N N 58 115.000 115.000 115.370 -0.370 18812 1313 1 3 . 1 1 58 58 SER HA H 58 4.260 4.260 4.299 -0.039 18812 1314 1 3 . 1 1 58 58 SER C C 58 177.400 177.400 176.763 0.637 18812 1315 1 3 . 1 1 58 58 SER CA C 58 62.900 62.900 61.080 1.820 18812 1316 1 3 . 1 1 58 58 SER CB C 58 69.300 69.300 63.158 6.142 18812 1317 1 3 . 1 1 58 58 SER H H 58 8.180 8.180 8.512 -0.332 18812 1318 1 3 . 1 1 60 60 ALA N N 60 123.000 123.000 125.706 -2.706 18812 1319 1 3 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.339 0.291 18812 1320 1 3 . 1 1 60 60 ALA C C 60 180.600 180.600 179.207 1.393 18812 1321 1 3 . 1 1 60 60 ALA CA C 60 53.600 53.600 54.557 -0.957 18812 1322 1 3 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.434 0.766 18812 1323 1 3 . 1 1 60 60 ALA H H 60 8.020 8.020 7.691 0.329 18812 1324 1 3 . 1 1 61 61 GLN N N 61 114.000 114.000 116.835 -2.835 18812 1325 1 3 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.102 -0.082 18812 1326 1 3 . 1 1 61 61 GLN C C 61 176.900 176.900 177.466 -0.566 18812 1327 1 3 . 1 1 61 61 GLN CA C 61 54.900 54.900 57.872 -2.972 18812 1328 1 3 . 1 1 61 61 GLN CB C 61 28.500 28.500 28.583 -0.083 18812 1329 1 3 . 1 1 61 61 GLN H H 61 7.500 7.500 7.778 -0.278 18812 1330 1 3 . 1 1 62 62 ILE N N 62 123.900 123.900 118.895 5.005 18812 1331 1 3 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.885 -0.105 18812 1332 1 3 . 1 1 62 62 ILE C C 62 176.800 176.800 177.341 -0.541 18812 1333 1 3 . 1 1 62 62 ILE CA C 62 65.900 65.900 63.122 2.778 18812 1334 1 3 . 1 1 62 62 ILE CB C 62 37.700 37.700 38.009 -0.309 18812 1335 1 3 . 1 1 62 62 ILE H H 62 7.240 7.240 7.552 -0.312 18812 1336 1 3 . 1 1 63 63 ASP N N 63 114.100 114.100 117.248 -3.148 18812 1337 1 3 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.694 0.116 18812 1338 1 3 . 1 1 63 63 ASP C C 63 177.500 177.500 177.086 0.414 18812 1339 1 3 . 1 1 63 63 ASP CA C 63 51.700 51.700 53.796 -2.096 18812 1340 1 3 . 1 1 63 63 ASP CB C 63 40.300 40.300 44.147 -3.847 18812 1341 1 3 . 1 1 63 63 ASP H H 63 7.860 7.860 7.803 0.057 18812 1342 1 3 . 1 1 64 64 GLY N N 64 104.800 104.800 107.616 -2.816 18812 1343 1 3 . 1 1 64 64 GLY C C 64 173.400 173.400 173.852 -0.452 18812 1344 1 3 . 1 1 64 64 GLY CA C 64 45.900 45.900 45.559 0.341 18812 1345 1 3 . 1 1 64 64 GLY H H 64 7.860 7.860 8.529 -0.669 18812 1346 1 3 . 1 1 65 65 VAL N N 65 117.700 117.700 115.734 1.966 18812 1347 1 3 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.614 -0.114 18812 1348 1 3 . 1 1 65 65 VAL C C 65 173.300 173.300 174.802 -1.502 18812 1349 1 3 . 1 1 65 65 VAL CA C 65 60.100 60.100 59.767 0.333 18812 1350 1 3 . 1 1 65 65 VAL CB C 65 36.100 36.100 34.464 1.636 18812 1351 1 3 . 1 1 65 65 VAL H H 65 7.550 7.550 7.520 0.030 18812 1352 1 3 . 1 1 66 66 VAL N N 66 129.500 129.500 124.296 5.204 18812 1353 1 3 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.737 -0.007 18812 1354 1 3 . 1 1 66 66 VAL C C 66 174.300 174.300 175.350 -1.050 18812 1355 1 3 . 1 1 66 66 VAL CA C 66 61.500 61.500 62.025 -0.525 18812 1356 1 3 . 1 1 66 66 VAL CB C 66 31.800 31.800 32.361 -0.561 18812 1357 1 3 . 1 1 66 66 VAL H H 66 8.540 8.540 8.436 0.104 18812 1358 1 3 . 1 1 67 67 SER N N 67 123.500 123.500 122.973 0.527 18812 1359 1 3 . 1 1 67 67 SER HA H 67 5.510 5.510 4.902 0.608 18812 1360 1 3 . 1 1 67 67 SER CA C 67 55.700 55.700 57.051 -1.351 18812 1361 1 3 . 1 1 67 67 SER CB C 67 66.100 66.100 66.323 -0.223 18812 1362 1 3 . 1 1 67 67 SER H H 67 9.370 9.370 8.619 0.751 18812 1363 1 3 . 1 1 68 68 LYS C C 68 177.100 177.100 177.532 -0.432 18812 1364 1 3 . 1 1 69 69 ASP N N 69 114.800 114.800 117.919 -3.119 18812 1365 1 3 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.628 -0.178 18812 1366 1 3 . 1 1 69 69 ASP C C 69 178.800 178.800 177.884 0.916 18812 1367 1 3 . 1 1 69 69 ASP CA C 69 56.900 56.900 56.139 0.761 18812 1368 1 3 . 1 1 69 69 ASP CB C 69 40.400 40.400 40.089 0.312 18812 1369 1 3 . 1 1 69 69 ASP H H 69 8.420 8.420 8.575 -0.155 18812 1370 1 3 . 1 1 70 70 GLU N N 70 120.300 120.300 119.935 0.365 18812 1371 1 3 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.109 0.041 18812 1372 1 3 . 1 1 70 70 GLU C C 70 178.000 178.000 178.754 -0.754 18812 1373 1 3 . 1 1 70 70 GLU CA C 70 59.200 59.200 58.942 0.258 18812 1374 1 3 . 1 1 70 70 GLU CB C 70 28.600 28.600 29.108 -0.508 18812 1375 1 3 . 1 1 70 70 GLU H H 70 7.600 7.600 8.421 -0.821 18812 1376 1 3 . 1 1 71 71 ILE N N 71 119.100 119.100 120.811 -1.711 18812 1377 1 3 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.680 -0.250 18812 1378 1 3 . 1 1 71 71 ILE C C 71 177.300 177.300 178.030 -0.730 18812 1379 1 3 . 1 1 71 71 ILE CA C 71 67.300 67.300 65.380 1.920 18812 1380 1 3 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.779 0.021 18812 1381 1 3 . 1 1 71 71 ILE H H 71 8.050 8.050 7.424 0.626 18812 1382 1 3 . 1 1 72 72 GLU N N 72 116.200 116.200 119.195 -2.995 18812 1383 1 3 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.924 -0.274 18812 1384 1 3 . 1 1 72 72 GLU C C 72 178.000 178.000 178.823 -0.823 18812 1385 1 3 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.542 1.458 18812 1386 1 3 . 1 1 72 72 GLU CB C 72 30.200 30.200 29.138 1.062 18812 1387 1 3 . 1 1 72 72 GLU H H 72 8.460 8.460 7.998 0.462 18812 1388 1 3 . 1 1 73 73 LYS N N 73 118.600 118.600 120.806 -2.206 18812 1389 1 3 . 1 1 73 73 LYS C C 73 179.000 179.000 178.630 0.370 18812 1390 1 3 . 1 1 73 73 LYS CA C 73 59.400 59.400 58.757 0.643 18812 1391 1 3 . 1 1 73 73 LYS CB C 73 32.600 32.600 32.031 0.570 18812 1392 1 3 . 1 1 73 73 LYS H H 73 8.020 8.020 7.363 0.657 18812 1393 1 3 . 1 1 74 74 PHE N N 74 118.500 118.500 118.459 0.041 18812 1394 1 3 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.163 0.157 18812 1395 1 3 . 1 1 74 74 PHE C C 74 179.400 179.400 178.524 0.876 18812 1396 1 3 . 1 1 74 74 PHE CA C 74 61.300 61.300 61.949 -0.649 18812 1397 1 3 . 1 1 74 74 PHE CB C 74 38.300 38.300 38.898 -0.598 18812 1398 1 3 . 1 1 74 74 PHE H H 74 8.870 8.870 8.207 0.663 18812 1399 1 3 . 1 1 75 75 ILE N N 75 119.000 119.000 119.212 -0.212 18812 1400 1 3 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.581 0.189 18812 1401 1 3 . 1 1 75 75 ILE C C 75 177.900 177.900 178.444 -0.544 18812 1402 1 3 . 1 1 75 75 ILE CA C 75 66.800 66.800 65.293 1.508 18812 1403 1 3 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.672 0.828 18812 1404 1 3 . 1 1 75 75 ILE H H 75 8.570 8.570 8.334 0.236 18812 1405 1 3 . 1 1 76 76 ALA N N 76 122.200 122.200 121.799 0.401 18812 1406 1 3 . 1 1 76 76 ALA HA H 76 4.570 4.570 4.031 0.539 18812 1407 1 3 . 1 1 76 76 ALA C C 76 181.000 181.000 179.320 1.680 18812 1408 1 3 . 1 1 76 76 ALA CA C 76 54.600 54.600 54.790 -0.190 18812 1409 1 3 . 1 1 76 76 ALA CB C 76 18.400 18.400 18.032 0.368 18812 1410 1 3 . 1 1 76 76 ALA H H 76 8.230 8.230 8.283 -0.053 18812 1411 1 3 . 1 1 77 77 ASP N N 77 117.200 117.200 117.901 -0.701 18812 1412 1 3 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.507 -0.067 18812 1413 1 3 . 1 1 77 77 ASP C C 77 177.200 177.200 177.197 0.003 18812 1414 1 3 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.169 0.531 18812 1415 1 3 . 1 1 77 77 ASP CB C 77 41.100 41.100 41.245 -0.145 18812 1416 1 3 . 1 1 77 77 ASP H H 77 7.900 7.900 8.045 -0.145 18812 1417 1 3 . 1 1 78 78 VAL N N 78 118.100 118.100 118.723 -0.623 18812 1418 1 3 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.153 -0.183 18812 1419 1 3 . 1 1 78 78 VAL C C 78 177.800 177.800 175.614 2.186 18812 1420 1 3 . 1 1 78 78 VAL CA C 78 64.800 64.800 61.677 3.123 18812 1421 1 3 . 1 1 78 78 VAL CB C 78 32.700 32.700 29.706 2.994 18812 1422 1 3 . 1 1 78 78 VAL H H 78 7.730 7.730 7.608 0.122 18812 1423 1 3 . 1 1 79 79 THR N N 79 109.800 109.800 111.424 -1.624 18812 1424 1 3 . 1 1 79 79 THR HA H 79 4.100 4.100 3.876 0.224 18812 1425 1 3 . 1 1 79 79 THR C C 79 175.700 175.700 174.689 1.011 18812 1426 1 3 . 1 1 79 79 THR CA C 79 69.400 69.400 63.825 5.575 18812 1427 1 3 . 1 1 79 79 THR CB C 79 63.100 63.100 67.581 -4.481 18812 1428 1 3 . 1 1 79 79 THR H H 79 8.830 8.830 7.719 1.111 18812 1429 1 3 . 1 1 80 80 LYS N N 80 115.700 115.700 121.358 -5.658 18812 1430 1 3 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.258 -0.248 18812 1431 1 3 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.577 -1.877 18812 1432 1 3 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.805 -4.405 18812 1433 1 3 . 1 1 80 80 LYS H H 80 8.440 8.440 7.634 0.806 18812 1434 1 3 . 1 1 81 81 ASP N N 81 119.600 119.600 117.718 1.882 18812 1435 1 3 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.216 0.634 18812 1436 1 3 . 1 1 81 81 ASP C C 81 174.400 174.400 175.053 -0.653 18812 1437 1 3 . 1 1 81 81 ASP CA C 81 51.200 51.200 57.176 -5.976 18812 1438 1 3 . 1 1 81 81 ASP CB C 81 44.400 44.400 39.763 4.637 18812 1439 1 3 . 1 1 81 81 ASP H H 81 8.140 8.140 7.994 0.146 18812 1440 1 3 . 1 1 82 82 GLU N N 82 120.500 120.500 121.231 -0.731 18812 1441 1 3 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.686 -0.236 18812 1442 1 3 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.263 0.937 18812 1443 1 3 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.631 -0.731 18812 1444 1 3 . 1 1 82 82 GLU H H 82 8.810 8.810 8.113 0.697 18812 1445 1 3 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.541 0.109 18812 1446 1 3 . 1 1 83 83 PRO C C 83 176.900 176.900 176.373 0.527 18812 1447 1 3 . 1 1 83 83 PRO CA C 83 62.400 62.400 62.481 -0.081 18812 1448 1 3 . 1 1 83 83 PRO CB C 83 32.600 32.600 32.934 -0.334 18812 1449 1 3 . 1 1 84 84 THR N N 84 115.300 115.300 118.341 -3.041 18812 1450 1 3 . 1 1 84 84 THR HA H 84 4.590 4.590 4.588 0.002 18812 1451 1 3 . 1 1 84 84 THR C C 84 175.000 175.000 175.378 -0.378 18812 1452 1 3 . 1 1 84 84 THR CA C 84 59.800 59.800 59.428 0.372 18812 1453 1 3 . 1 1 84 84 THR CB C 84 71.700 71.700 71.230 0.470 18812 1454 1 3 . 1 1 84 84 THR H H 84 9.550 9.550 8.262 1.288 18812 1455 1 3 . 1 1 85 85 ALA N N 85 124.400 124.400 126.933 -2.533 18812 1456 1 3 . 1 1 85 85 ALA HA H 85 4.060 4.060 4.121 -0.061 18812 1457 1 3 . 1 1 85 85 ALA C C 85 180.900 180.900 179.659 1.241 18812 1458 1 3 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.389 -0.089 18812 1459 1 3 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.556 -0.556 18812 1460 1 3 . 1 1 85 85 ALA H H 85 8.970 8.970 8.819 0.151 18812 1461 1 3 . 1 1 86 86 GLN N N 86 116.500 116.500 118.033 -1.533 18812 1462 1 3 . 1 1 86 86 GLN HA H 86 4.120 4.120 4.055 0.065 18812 1463 1 3 . 1 1 86 86 GLN CA C 86 58.900 58.900 58.666 0.234 18812 1464 1 3 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.285 -0.184 18812 1465 1 3 . 1 1 86 86 GLN H H 86 8.680 8.680 7.902 0.778 18812 1466 1 3 . 1 1 87 87 ASP N N 87 122.300 122.300 120.637 1.663 18812 1467 1 3 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.387 0.213 18812 1468 1 3 . 1 1 87 87 ASP C C 87 178.200 178.200 178.573 -0.373 18812 1469 1 3 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.745 0.055 18812 1470 1 3 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.586 -0.886 18812 1471 1 3 . 1 1 87 87 ASP H H 87 7.820 7.820 7.726 0.094 18812 1472 1 3 . 1 1 88 88 ILE N N 88 120.900 120.900 119.925 0.975 18812 1473 1 3 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.728 -0.248 18812 1474 1 3 . 1 1 88 88 ILE C C 88 177.800 177.800 178.028 -0.228 18812 1475 1 3 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.582 1.218 18812 1476 1 3 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.677 0.623 18812 1477 1 3 . 1 1 88 88 ILE H H 88 8.160 8.160 8.182 -0.022 18812 1478 1 3 . 1 1 89 89 SER N N 89 113.200 113.200 115.641 -2.441 18812 1479 1 3 . 1 1 89 89 SER HA H 89 4.240 4.240 4.045 0.195 18812 1480 1 3 . 1 1 89 89 SER C C 89 177.200 177.200 176.982 0.218 18812 1481 1 3 . 1 1 89 89 SER CA C 89 61.700 61.700 61.979 -0.279 18812 1482 1 3 . 1 1 89 89 SER CB C 89 62.700 62.700 62.871 -0.171 18812 1483 1 3 . 1 1 89 89 SER H H 89 7.970 7.970 8.256 -0.286 18812 1484 1 3 . 1 1 90 90 ARG N N 90 123.100 123.100 121.663 1.437 18812 1485 1 3 . 1 1 90 90 ARG HA H 90 4.110 4.110 3.977 0.133 18812 1486 1 3 . 1 1 90 90 ARG CA C 90 59.900 59.900 59.454 0.446 18812 1487 1 3 . 1 1 90 90 ARG CB C 90 31.700 31.700 30.267 1.433 18812 1488 1 3 . 1 1 90 90 ARG H H 90 8.450 8.450 8.112 0.338 18812 1489 1 3 . 1 1 91 91 VAL N N 91 119.200 119.200 119.884 -0.684 18812 1490 1 3 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.619 -0.189 18812 1491 1 3 . 1 1 91 91 VAL C C 91 177.300 177.300 177.817 -0.517 18812 1492 1 3 . 1 1 91 91 VAL CA C 91 66.800 66.800 66.908 -0.108 18812 1493 1 3 . 1 1 91 91 VAL CB C 91 31.700 31.700 31.500 0.200 18812 1494 1 3 . 1 1 91 91 VAL H H 91 8.140 8.140 8.096 0.044 18812 1495 1 3 . 1 1 92 92 ALA N N 92 121.100 121.100 120.802 0.298 18812 1496 1 3 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.960 0.000 18812 1497 1 3 . 1 1 92 92 ALA C C 92 179.200 179.200 179.906 -0.706 18812 1498 1 3 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.281 0.619 18812 1499 1 3 . 1 1 92 92 ALA CB C 92 18.400 18.400 17.917 0.483 18812 1500 1 3 . 1 1 92 92 ALA H H 92 9.020 9.020 8.394 0.626 18812 1501 1 3 . 1 1 93 93 SER N N 93 112.100 112.100 114.006 -1.906 18812 1502 1 3 . 1 1 93 93 SER HA H 93 4.240 4.240 4.186 0.054 18812 1503 1 3 . 1 1 93 93 SER C C 93 177.300 177.300 176.844 0.456 18812 1504 1 3 . 1 1 93 93 SER CA C 93 62.000 62.000 61.394 0.606 18812 1505 1 3 . 1 1 93 93 SER CB C 93 62.700 62.700 63.095 -0.395 18812 1506 1 3 . 1 1 93 93 SER H H 93 8.730 8.730 8.144 0.586 18812 1507 1 3 . 1 1 94 94 ARG N N 94 122.500 122.500 121.164 1.336 18812 1508 1 3 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.080 0.180 18812 1509 1 3 . 1 1 94 94 ARG C C 94 179.900 179.900 179.012 0.888 18812 1510 1 3 . 1 1 94 94 ARG CA C 94 57.800 57.800 57.856 -0.056 18812 1511 1 3 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.642 -0.442 18812 1512 1 3 . 1 1 94 94 ARG H H 94 7.520 7.520 7.915 -0.395 18812 1513 1 3 . 1 1 95 95 LEU N N 95 121.500 121.500 117.069 4.431 18812 1514 1 3 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.116 0.124 18812 1515 1 3 . 1 1 95 95 LEU C C 95 179.000 179.000 178.767 0.233 18812 1516 1 3 . 1 1 95 95 LEU CA C 95 58.100 58.100 57.781 0.319 18812 1517 1 3 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.802 0.998 18812 1518 1 3 . 1 1 95 95 LEU H H 95 8.350 8.350 8.088 0.262 18812 1519 1 3 . 1 1 96 96 ALA N N 96 121.900 121.900 121.232 0.668 18812 1520 1 3 . 1 1 96 96 ALA HA H 96 4.320 4.320 4.072 0.248 18812 1521 1 3 . 1 1 96 96 ALA C C 96 182.200 182.200 179.788 2.412 18812 1522 1 3 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.590 0.510 18812 1523 1 3 . 1 1 96 96 ALA CB C 96 18.000 18.000 17.922 0.079 18812 1524 1 3 . 1 1 96 96 ALA H H 96 8.740 8.740 8.185 0.555 18812 1525 1 3 . 1 1 97 97 ALA N N 97 121.400 121.400 119.917 1.483 18812 1526 1 3 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.097 0.133 18812 1527 1 3 . 1 1 97 97 ALA C C 97 179.200 179.200 178.438 0.762 18812 1528 1 3 . 1 1 97 97 ALA CA C 97 54.600 54.600 53.492 1.108 18812 1529 1 3 . 1 1 97 97 ALA CB C 97 18.000 18.000 18.439 -0.439 18812 1530 1 3 . 1 1 97 97 ALA H H 97 8.190 8.190 7.834 0.356 18812 1531 1 3 . 1 1 98 98 GLY N N 98 103.500 103.500 105.555 -2.055 18812 1532 1 3 . 1 1 98 98 GLY C C 98 173.700 173.700 175.233 -1.533 18812 1533 1 3 . 1 1 98 98 GLY CA C 98 44.800 44.800 44.685 0.115 18812 1534 1 3 . 1 1 98 98 GLY H H 98 7.710 7.710 7.329 0.381 18812 1535 1 3 . 1 1 99 99 GLY N N 99 107.600 107.600 109.729 -2.129 18812 1536 1 3 . 1 1 99 99 GLY CA C 99 45.200 45.200 44.748 0.452 18812 1537 1 3 . 1 1 99 99 GLY H H 99 7.710 7.710 7.549 0.161 18812 1538 1 3 . 1 1 100 100 TRP N N 100 123.600 123.600 127.755 -4.155 18812 1539 1 3 . 1 1 100 100 TRP CB C 100 52.300 52.300 28.050 24.250 18812 1540 1 3 . 1 1 100 100 TRP H H 100 7.820 7.820 8.058 -0.238 18812 1541 1 3 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.173 -0.243 18812 1542 1 3 . 1 1 101 101 PRO C C 101 175.600 175.600 175.687 -0.087 18812 1543 1 3 . 1 1 101 101 PRO CA C 101 62.600 62.600 63.833 -1.233 18812 1544 1 3 . 1 1 101 101 PRO CB C 101 34.200 34.200 31.035 3.165 18812 1545 1 3 . 1 1 102 102 LEU N N 102 122.800 122.800 121.953 0.847 18812 1546 1 3 . 1 1 102 102 LEU H H 102 8.470 8.470 7.712 0.758 18812 1547 1 3 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.469 0.191 18812 1548 1 3 . 1 1 103 103 ALA C C 103 177.100 177.100 177.800 -0.700 18812 1549 1 3 . 1 1 103 103 ALA CA C 103 51.500 51.500 51.965 -0.465 18812 1550 1 3 . 1 1 103 103 ALA CB C 103 21.700 21.700 19.665 2.035 18812 1551 1 3 . 1 1 104 104 GLY N N 104 108.500 108.500 108.059 0.441 18812 1552 1 3 . 1 1 104 104 GLY C C 104 173.900 173.900 175.283 -1.383 18812 1553 1 3 . 1 1 104 104 GLY CA C 104 45.900 45.900 45.172 0.728 18812 1554 1 3 . 1 1 104 104 GLY H H 104 8.700 8.700 8.704 -0.004 18812 1555 1 3 . 1 1 105 105 VAL N N 105 116.700 116.700 117.147 -0.447 18812 1556 1 3 . 1 1 105 105 VAL HA H 105 4.220 4.220 4.181 0.039 18812 1557 1 3 . 1 1 105 105 VAL C C 105 174.700 174.700 174.684 0.016 18812 1558 1 3 . 1 1 105 105 VAL CA C 105 61.000 61.000 60.157 0.843 18812 1559 1 3 . 1 1 105 105 VAL CB C 105 33.100 33.100 30.465 2.635 18812 1560 1 3 . 1 1 105 105 VAL H H 105 7.660 7.660 7.624 0.036 18812 1561 1 3 . 1 1 106 106 ASP N N 106 125.100 125.100 124.620 0.480 18812 1562 1 3 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.502 0.168 18812 1563 1 3 . 1 1 106 106 ASP C C 106 176.500 176.500 176.317 0.183 18812 1564 1 3 . 1 1 106 106 ASP CA C 106 54.000 54.000 55.370 -1.370 18812 1565 1 3 . 1 1 106 106 ASP CB C 106 41.300 41.300 40.720 0.580 18812 1566 1 3 . 1 1 106 106 ASP H H 106 8.600 8.600 7.810 0.790 18812 1567 1 3 . 1 1 107 107 SER N N 107 117.400 117.400 118.372 -0.972 18812 1568 1 3 . 1 1 107 107 SER HA H 107 4.320 4.320 4.431 -0.111 18812 1569 1 3 . 1 1 107 107 SER C C 107 175.400 175.400 175.175 0.225 18812 1570 1 3 . 1 1 107 107 SER CA C 107 59.500 59.500 59.450 0.050 18812 1571 1 3 . 1 1 107 107 SER CB C 107 63.200 63.200 63.593 -0.393 18812 1572 1 3 . 1 1 107 107 SER H H 107 8.560 8.560 8.405 0.155 18812 1573 1 3 . 1 1 108 108 THR N N 108 115.100 115.100 114.003 1.097 18812 1574 1 3 . 1 1 108 108 THR HA H 108 4.260 4.260 4.334 -0.074 18812 1575 1 3 . 1 1 108 108 THR C C 108 174.800 174.800 175.434 -0.634 18812 1576 1 3 . 1 1 108 108 THR CA C 108 63.000 63.000 63.068 -0.068 18812 1577 1 3 . 1 1 108 108 THR CB C 108 69.300 69.300 68.774 0.526 18812 1578 1 3 . 1 1 108 108 THR H H 108 8.230 8.230 7.688 0.542 18812 1579 1 3 . 1 1 109 109 ALA N N 109 125.000 125.000 123.718 1.282 18812 1580 1 3 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.450 -0.090 18812 1581 1 3 . 1 1 109 109 ALA C C 109 177.500 177.500 177.645 -0.145 18812 1582 1 3 . 1 1 109 109 ALA CA C 109 52.500 52.500 52.695 -0.195 18812 1583 1 3 . 1 1 109 109 ALA CB C 109 19.100 19.100 18.178 0.922 18812 1584 1 3 . 1 1 109 109 ALA H H 109 8.020 8.020 8.043 -0.023 18812 1585 1 3 . 1 1 110 110 LEU N N 110 119.400 119.400 113.708 5.692 18812 1586 1 3 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.555 -0.205 18812 1587 1 3 . 1 1 110 110 LEU C C 110 176.800 176.800 177.081 -0.281 18812 1588 1 3 . 1 1 110 110 LEU CA C 110 55.000 55.000 54.986 0.014 18812 1589 1 3 . 1 1 110 110 LEU CB C 110 42.000 42.000 41.010 0.990 18812 1590 1 3 . 1 1 110 110 LEU H H 110 7.880 7.880 7.395 0.485 18812 1591 1 3 . 1 1 111 111 ASN N N 111 118.700 118.700 119.639 -0.939 18812 1592 1 3 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.663 0.067 18812 1593 1 3 . 1 1 111 111 ASN C C 111 173.600 173.600 175.117 -1.517 18812 1594 1 3 . 1 1 111 111 ASN CA C 111 52.900 52.900 53.865 -0.965 18812 1595 1 3 . 1 1 111 111 ASN CB C 111 39.000 39.000 39.765 -0.765 18812 1596 1 3 . 1 1 111 111 ASN H H 111 8.230 8.230 7.966 0.264 18812 1597 1 4 . 1 1 10 10 GLY C C 10 174.100 174.100 174.407 -0.307 18812 1598 1 4 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.206 0.094 18812 1599 1 4 . 1 1 10 10 GLY H H 10 8.500 8.500 8.342 0.158 18812 1600 1 4 . 1 1 11 11 THR N N 11 113.700 113.700 112.165 1.535 18812 1601 1 4 . 1 1 11 11 THR HA H 11 4.350 4.350 4.315 0.035 18812 1602 1 4 . 1 1 11 11 THR C C 11 174.700 174.700 174.914 -0.214 18812 1603 1 4 . 1 1 11 11 THR CA C 11 62.000 62.000 61.214 0.786 18812 1604 1 4 . 1 1 11 11 THR CB C 11 69.800 69.800 69.138 0.662 18812 1605 1 4 . 1 1 11 11 THR H H 11 8.100 8.100 7.783 0.317 18812 1606 1 4 . 1 1 12 12 LEU N N 12 124.100 124.100 124.088 0.012 18812 1607 1 4 . 1 1 12 12 LEU C C 12 177.600 177.600 176.464 1.136 18812 1608 1 4 . 1 1 12 12 LEU CA C 12 55.400 55.400 55.226 0.174 18812 1609 1 4 . 1 1 12 12 LEU CB C 12 42.000 42.000 40.905 1.095 18812 1610 1 4 . 1 1 12 12 LEU H H 12 8.380 8.380 7.723 0.657 18812 1611 1 4 . 1 1 13 13 GLU N N 13 121.500 121.500 124.246 -2.746 18812 1612 1 4 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.362 -0.142 18812 1613 1 4 . 1 1 13 13 GLU C C 13 176.300 176.300 176.300 0.000 18812 1614 1 4 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.157 0.743 18812 1615 1 4 . 1 1 13 13 GLU CB C 13 29.600 29.600 30.562 -0.962 18812 1616 1 4 . 1 1 13 13 GLU H H 13 8.440 8.440 8.311 0.129 18812 1617 1 4 . 1 1 14 14 ALA N N 14 124.300 124.300 124.912 -0.612 18812 1618 1 4 . 1 1 14 14 ALA CA C 14 52.600 52.600 51.695 0.905 18812 1619 1 4 . 1 1 14 14 ALA CB C 14 19.000 19.000 20.378 -1.377 18812 1620 1 4 . 1 1 14 14 ALA H H 14 8.280 8.280 8.355 -0.075 18812 1621 1 4 . 1 1 15 15 GLN N N 15 118.700 118.700 119.753 -1.053 18812 1622 1 4 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.435 -0.035 18812 1623 1 4 . 1 1 15 15 GLN C C 15 176.300 176.300 175.304 0.996 18812 1624 1 4 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.380 0.420 18812 1625 1 4 . 1 1 15 15 GLN CB C 15 29.300 29.300 29.769 -0.469 18812 1626 1 4 . 1 1 15 15 GLN H H 15 8.360 8.360 8.478 -0.118 18812 1627 1 4 . 1 1 16 16 THR N N 16 114.800 114.800 114.054 0.746 18812 1628 1 4 . 1 1 16 16 THR C C 16 174.400 174.400 173.756 0.644 18812 1629 1 4 . 1 1 16 16 THR CA C 16 62.000 62.000 60.744 1.256 18812 1630 1 4 . 1 1 16 16 THR CB C 16 69.700 69.700 69.727 -0.027 18812 1631 1 4 . 1 1 16 16 THR H H 16 8.200 8.200 8.279 -0.079 18812 1632 1 4 . 1 1 17 17 GLN N N 17 122.200 122.200 121.077 1.123 18812 1633 1 4 . 1 1 17 17 GLN C C 17 175.900 175.900 174.964 0.936 18812 1634 1 4 . 1 1 17 17 GLN CA C 17 55.500 55.500 55.987 -0.487 18812 1635 1 4 . 1 1 17 17 GLN CB C 17 29.600 29.600 29.592 0.008 18812 1636 1 4 . 1 1 17 17 GLN H H 17 8.430 8.430 8.563 -0.133 18812 1637 1 4 . 1 1 18 18 GLY N N 18 110.100 110.100 108.458 1.642 18812 1638 1 4 . 1 1 18 18 GLY CA C 18 44.500 44.500 44.566 -0.067 18812 1639 1 4 . 1 1 18 18 GLY H H 18 8.360 8.360 8.415 -0.055 18812 1640 1 4 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.528 -0.068 18812 1641 1 4 . 1 1 19 19 PRO C C 19 177.700 177.700 177.745 -0.045 18812 1642 1 4 . 1 1 19 19 PRO CA C 19 63.600 63.600 62.843 0.756 18812 1643 1 4 . 1 1 19 19 PRO CB C 19 31.900 31.900 31.260 0.640 18812 1644 1 4 . 1 1 20 20 GLY N N 20 109.600 109.600 114.812 -5.212 18812 1645 1 4 . 1 1 20 20 GLY C C 20 174.100 174.100 174.074 0.026 18812 1646 1 4 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.329 -0.129 18812 1647 1 4 . 1 1 20 20 GLY H H 20 8.630 8.630 8.545 0.085 18812 1648 1 4 . 1 1 21 21 SER N N 21 115.300 115.300 117.588 -2.288 18812 1649 1 4 . 1 1 21 21 SER HA H 21 4.460 4.460 4.832 -0.372 18812 1650 1 4 . 1 1 21 21 SER C C 21 174.100 174.100 172.068 2.032 18812 1651 1 4 . 1 1 21 21 SER CA C 21 58.300 58.300 56.597 1.703 18812 1652 1 4 . 1 1 21 21 SER CB C 21 63.900 63.900 64.064 -0.164 18812 1653 1 4 . 1 1 21 21 SER H H 21 8.150 8.150 8.011 0.139 18812 1654 1 4 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.527 -0.087 18812 1655 1 4 . 1 1 22 22 PRO C C 22 176.800 176.800 175.278 1.522 18812 1656 1 4 . 1 1 22 22 PRO CA C 22 63.100 63.100 62.965 0.135 18812 1657 1 4 . 1 1 22 22 PRO CB C 22 32.100 32.100 30.200 1.900 18812 1658 1 4 . 1 1 23 23 GLU N N 23 120.900 120.900 121.475 -0.575 18812 1659 1 4 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.475 -0.195 18812 1660 1 4 . 1 1 23 23 GLU C C 23 177.000 177.000 176.915 0.085 18812 1661 1 4 . 1 1 23 23 GLU CA C 23 56.600 56.600 55.486 1.114 18812 1662 1 4 . 1 1 23 23 GLU CB C 23 30.400 30.400 31.240 -0.840 18812 1663 1 4 . 1 1 23 23 GLU H H 23 8.630 8.630 8.140 0.490 18812 1664 1 4 . 1 1 24 24 GLY N N 24 109.800 109.800 114.057 -4.257 18812 1665 1 4 . 1 1 24 24 GLY C C 24 173.600 173.600 173.724 -0.124 18812 1666 1 4 . 1 1 24 24 GLY CA C 24 45.100 45.100 45.723 -0.623 18812 1667 1 4 . 1 1 24 24 GLY H H 24 8.450 8.450 8.903 -0.453 18812 1668 1 4 . 1 1 25 25 VAL N N 25 120.600 120.600 115.666 4.934 18812 1669 1 4 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.535 -0.075 18812 1670 1 4 . 1 1 25 25 VAL CA C 25 59.700 59.700 58.515 1.185 18812 1671 1 4 . 1 1 25 25 VAL CB C 25 32.600 32.600 33.293 -0.693 18812 1672 1 4 . 1 1 25 25 VAL H H 25 7.990 7.990 7.385 0.605 18812 1673 1 4 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.375 0.145 18812 1674 1 4 . 1 1 27 27 PRO C C 27 177.200 177.200 175.828 1.372 18812 1675 1 4 . 1 1 27 27 PRO CA C 27 63.100 63.100 62.891 0.209 18812 1676 1 4 . 1 1 27 27 PRO CB C 27 32.000 32.000 30.905 1.095 18812 1677 1 4 . 1 1 28 28 THR N N 28 113.000 113.000 114.865 -1.865 18812 1678 1 4 . 1 1 28 28 THR HA H 28 4.270 4.270 4.531 -0.261 18812 1679 1 4 . 1 1 28 28 THR C C 28 174.400 174.400 174.873 -0.473 18812 1680 1 4 . 1 1 28 28 THR CA C 28 62.000 62.000 60.556 1.444 18812 1681 1 4 . 1 1 28 28 THR CB C 28 69.700 69.700 71.525 -1.825 18812 1682 1 4 . 1 1 28 28 THR H H 28 8.160 8.160 7.850 0.310 18812 1683 1 4 . 1 1 29 29 ASP N N 29 122.100 122.100 121.733 0.367 18812 1684 1 4 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.411 0.169 18812 1685 1 4 . 1 1 29 29 ASP CA C 29 54.300 54.300 54.229 0.071 18812 1686 1 4 . 1 1 29 29 ASP CB C 29 40.900 40.900 40.905 -0.005 18812 1687 1 4 . 1 1 29 29 ASP H H 29 8.290 8.290 8.479 -0.189 18812 1688 1 4 . 1 1 30 30 ARG N N 30 120.300 120.300 120.972 -0.672 18812 1689 1 4 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.269 -0.079 18812 1690 1 4 . 1 1 30 30 ARG C C 30 175.600 175.600 175.439 0.161 18812 1691 1 4 . 1 1 30 30 ARG CA C 30 56.200 56.200 55.770 0.430 18812 1692 1 4 . 1 1 30 30 ARG CB C 30 30.800 30.800 28.992 1.808 18812 1693 1 4 . 1 1 30 30 ARG H H 30 8.070 8.070 7.677 0.393 18812 1694 1 4 . 1 1 31 31 PHE N N 31 120.500 120.500 126.492 -5.992 18812 1695 1 4 . 1 1 31 31 PHE CB C 31 38.800 38.800 38.473 0.327 18812 1696 1 4 . 1 1 31 31 PHE H H 31 8.240 8.240 8.080 0.160 18812 1697 1 4 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.337 0.103 18812 1698 1 4 . 1 1 32 32 PRO C C 32 177.200 177.200 175.868 1.332 18812 1699 1 4 . 1 1 32 32 PRO CA C 32 63.400 63.400 64.088 -0.688 18812 1700 1 4 . 1 1 32 32 PRO CB C 32 31.700 31.700 31.909 -0.209 18812 1701 1 4 . 1 1 33 33 LEU N N 33 121.000 121.000 120.983 0.017 18812 1702 1 4 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.532 -0.202 18812 1703 1 4 . 1 1 33 33 LEU CA C 33 55.600 55.600 53.539 2.061 18812 1704 1 4 . 1 1 33 33 LEU CB C 33 42.100 42.100 43.654 -1.554 18812 1705 1 4 . 1 1 33 33 LEU H H 33 8.290 8.290 7.685 0.605 18812 1706 1 4 . 1 1 34 34 LEU N N 34 122.100 122.100 121.553 0.547 18812 1707 1 4 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.415 -0.105 18812 1708 1 4 . 1 1 34 34 LEU C C 34 177.300 177.300 177.839 -0.539 18812 1709 1 4 . 1 1 34 34 LEU CA C 34 55.200 55.200 55.079 0.121 18812 1710 1 4 . 1 1 34 34 LEU CB C 34 41.900 41.900 41.947 -0.047 18812 1711 1 4 . 1 1 34 34 LEU H H 34 8.110 8.110 8.448 -0.338 18812 1712 1 4 . 1 1 35 35 ALA N N 35 123.400 123.400 122.632 0.768 18812 1713 1 4 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.459 -0.179 18812 1714 1 4 . 1 1 35 35 ALA C C 35 177.600 177.600 177.169 0.431 18812 1715 1 4 . 1 1 35 35 ALA CA C 35 52.700 52.700 51.619 1.081 18812 1716 1 4 . 1 1 35 35 ALA CB C 35 18.800 18.800 17.986 0.814 18812 1717 1 4 . 1 1 35 35 ALA H H 35 8.140 8.140 7.889 0.251 18812 1718 1 4 . 1 1 36 36 LEU N N 36 120.000 120.000 121.845 -1.845 18812 1719 1 4 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.235 0.025 18812 1720 1 4 . 1 1 36 36 LEU CA C 36 55.500 55.500 55.903 -0.403 18812 1721 1 4 . 1 1 36 36 LEU CB C 36 42.000 42.000 42.419 -0.419 18812 1722 1 4 . 1 1 36 36 LEU H H 36 7.990 7.990 7.864 0.126 18812 1723 1 4 . 1 1 37 37 LEU N N 37 122.700 122.700 121.129 1.571 18812 1724 1 4 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.254 0.126 18812 1725 1 4 . 1 1 37 37 LEU C C 37 177.100 177.100 176.841 0.259 18812 1726 1 4 . 1 1 37 37 LEU CA C 37 55.000 55.000 55.174 -0.174 18812 1727 1 4 . 1 1 37 37 LEU CB C 37 42.100 42.100 39.108 2.991 18812 1728 1 4 . 1 1 37 37 LEU H H 37 8.190 8.190 7.802 0.388 18812 1729 1 4 . 1 1 38 38 ARG N N 38 121.600 121.600 124.932 -3.332 18812 1730 1 4 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.657 -0.187 18812 1731 1 4 . 1 1 38 38 ARG C C 38 176.200 176.200 175.884 0.316 18812 1732 1 4 . 1 1 38 38 ARG CA C 38 55.100 55.100 54.811 0.289 18812 1733 1 4 . 1 1 38 38 ARG CB C 38 31.200 31.200 31.426 -0.226 18812 1734 1 4 . 1 1 38 38 ARG H H 38 8.040 8.040 8.198 -0.158 18812 1735 1 4 . 1 1 39 39 ARG N N 39 123.600 123.600 118.820 4.780 18812 1736 1 4 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.644 -0.274 18812 1737 1 4 . 1 1 39 39 ARG C C 39 175.500 175.500 175.449 0.051 18812 1738 1 4 . 1 1 39 39 ARG CA C 39 56.700 56.700 55.509 1.191 18812 1739 1 4 . 1 1 39 39 ARG CB C 39 31.200 31.200 30.928 0.272 18812 1740 1 4 . 1 1 39 39 ARG H H 39 8.840 8.840 8.586 0.254 18812 1741 1 4 . 1 1 40 40 THR N N 40 113.900 113.900 113.596 0.304 18812 1742 1 4 . 1 1 40 40 THR HA H 40 4.770 4.770 4.488 0.282 18812 1743 1 4 . 1 1 40 40 THR C C 40 175.300 175.300 173.524 1.776 18812 1744 1 4 . 1 1 40 40 THR CA C 40 59.500 59.500 60.645 -1.145 18812 1745 1 4 . 1 1 40 40 THR CB C 40 71.700 71.700 70.289 1.411 18812 1746 1 4 . 1 1 40 40 THR H H 40 8.150 8.150 7.597 0.553 18812 1747 1 4 . 1 1 41 41 LEU N N 41 123.100 123.100 122.694 0.406 18812 1748 1 4 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.820 -0.350 18812 1749 1 4 . 1 1 41 41 LEU C C 41 179.700 179.700 176.217 3.483 18812 1750 1 4 . 1 1 41 41 LEU CA C 41 54.900 54.900 54.035 0.865 18812 1751 1 4 . 1 1 41 41 LEU CB C 41 43.000 43.000 43.296 -0.296 18812 1752 1 4 . 1 1 41 41 LEU H H 41 9.480 9.480 8.433 1.047 18812 1753 1 4 . 1 1 42 42 THR N N 42 115.100 115.100 119.266 -4.166 18812 1754 1 4 . 1 1 42 42 THR HA H 42 4.580 4.580 4.296 0.284 18812 1755 1 4 . 1 1 42 42 THR C C 42 175.400 175.400 175.500 -0.100 18812 1756 1 4 . 1 1 42 42 THR CA C 42 60.900 60.900 62.013 -1.113 18812 1757 1 4 . 1 1 42 42 THR CB C 42 70.600 70.600 71.109 -0.509 18812 1758 1 4 . 1 1 42 42 THR H H 42 8.790 8.790 8.719 0.071 18812 1759 1 4 . 1 1 43 43 GLU N N 43 121.400 121.400 124.391 -2.991 18812 1760 1 4 . 1 1 43 43 GLU HA H 43 4.020 4.020 3.993 0.027 18812 1761 1 4 . 1 1 43 43 GLU C C 43 179.100 179.100 178.402 0.698 18812 1762 1 4 . 1 1 43 43 GLU CA C 43 59.700 59.700 59.953 -0.252 18812 1763 1 4 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.755 -0.855 18812 1764 1 4 . 1 1 43 43 GLU H H 43 9.020 9.020 8.998 0.022 18812 1765 1 4 . 1 1 44 44 GLU N N 44 118.300 118.300 118.783 -0.483 18812 1766 1 4 . 1 1 44 44 GLU HA H 44 4.020 4.020 3.965 0.055 18812 1767 1 4 . 1 1 44 44 GLU C C 44 179.700 179.700 179.218 0.482 18812 1768 1 4 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.426 0.774 18812 1769 1 4 . 1 1 44 44 GLU CB C 44 29.000 29.000 29.238 -0.238 18812 1770 1 4 . 1 1 44 44 GLU H H 44 8.810 8.810 7.849 0.961 18812 1771 1 4 . 1 1 45 45 GLN N N 45 119.300 119.300 118.860 0.440 18812 1772 1 4 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.351 -0.131 18812 1773 1 4 . 1 1 45 45 GLN C C 45 178.500 178.500 178.788 -0.288 18812 1774 1 4 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.522 -0.222 18812 1775 1 4 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.978 0.222 18812 1776 1 4 . 1 1 45 45 GLN H H 45 7.800 7.800 7.732 0.068 18812 1777 1 4 . 1 1 46 46 VAL N N 46 121.000 121.000 120.968 0.032 18812 1778 1 4 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.651 -0.251 18812 1779 1 4 . 1 1 46 46 VAL C C 46 177.500 177.500 178.334 -0.834 18812 1780 1 4 . 1 1 46 46 VAL CA C 46 67.600 67.600 67.016 0.584 18812 1781 1 4 . 1 1 46 46 VAL CB C 46 31.300 31.300 31.122 0.178 18812 1782 1 4 . 1 1 46 46 VAL H H 46 8.420 8.420 8.036 0.384 18812 1783 1 4 . 1 1 47 47 GLN N N 47 115.900 115.900 117.983 -2.083 18812 1784 1 4 . 1 1 47 47 GLN HA H 47 3.890 3.890 4.029 -0.139 18812 1785 1 4 . 1 1 47 47 GLN C C 47 178.500 178.500 178.527 -0.027 18812 1786 1 4 . 1 1 47 47 GLN CA C 47 58.800 58.800 58.537 0.263 18812 1787 1 4 . 1 1 47 47 GLN CB C 47 27.700 27.700 28.146 -0.446 18812 1788 1 4 . 1 1 47 47 GLN H H 47 7.470 7.470 8.481 -1.011 18812 1789 1 4 . 1 1 48 48 GLU N N 48 121.400 121.400 121.056 0.344 18812 1790 1 4 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.105 0.015 18812 1791 1 4 . 1 1 48 48 GLU C C 48 178.500 178.500 178.904 -0.404 18812 1792 1 4 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.559 -0.259 18812 1793 1 4 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.351 0.449 18812 1794 1 4 . 1 1 48 48 GLU H H 48 7.940 7.940 8.140 -0.200 18812 1795 1 4 . 1 1 49 49 VAL N N 49 120.300 120.300 120.270 0.030 18812 1796 1 4 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.832 -0.242 18812 1797 1 4 . 1 1 49 49 VAL CA C 49 67.200 67.200 66.569 0.631 18812 1798 1 4 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.289 0.211 18812 1799 1 4 . 1 1 49 49 VAL H H 49 8.580 8.580 8.401 0.179 18812 1800 1 4 . 1 1 50 50 VAL N N 50 118.700 118.700 116.826 1.874 18812 1801 1 4 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.840 -0.620 18812 1802 1 4 . 1 1 50 50 VAL C C 50 178.600 178.600 177.582 1.018 18812 1803 1 4 . 1 1 50 50 VAL CA C 50 67.500 67.500 66.268 1.232 18812 1804 1 4 . 1 1 50 50 VAL CB C 50 31.400 31.400 30.591 0.809 18812 1805 1 4 . 1 1 50 50 VAL H H 50 8.350 8.350 8.120 0.230 18812 1806 1 4 . 1 1 51 51 ALA N N 51 123.200 123.200 123.930 -0.730 18812 1807 1 4 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.084 -0.254 18812 1808 1 4 . 1 1 51 51 ALA C C 51 180.100 180.100 179.201 0.899 18812 1809 1 4 . 1 1 51 51 ALA CA C 51 55.300 55.300 55.024 0.276 18812 1810 1 4 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.446 -0.746 18812 1811 1 4 . 1 1 51 51 ALA H H 51 8.320 8.320 8.153 0.167 18812 1812 1 4 . 1 1 52 52 LYS N N 52 117.200 117.200 119.009 -1.809 18812 1813 1 4 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.286 -0.166 18812 1814 1 4 . 1 1 52 52 LYS C C 52 180.200 180.200 178.846 1.354 18812 1815 1 4 . 1 1 52 52 LYS CA C 52 59.200 59.200 58.173 1.026 18812 1816 1 4 . 1 1 52 52 LYS CB C 52 32.700 32.700 33.065 -0.365 18812 1817 1 4 . 1 1 52 52 LYS H H 52 8.170 8.170 8.020 0.150 18812 1818 1 4 . 1 1 53 53 LEU N N 53 118.600 118.600 119.945 -1.345 18812 1819 1 4 . 1 1 53 53 LEU HA H 53 3.390 3.390 3.983 -0.593 18812 1820 1 4 . 1 1 53 53 LEU C C 53 176.300 176.300 177.198 -0.898 18812 1821 1 4 . 1 1 53 53 LEU CA C 53 56.300 56.300 56.974 -0.673 18812 1822 1 4 . 1 1 53 53 LEU CB C 53 44.300 44.300 41.269 3.031 18812 1823 1 4 . 1 1 53 53 LEU H H 53 8.170 8.170 8.479 -0.309 18812 1824 1 4 . 1 1 54 54 THR N N 54 103.000 103.000 109.288 -6.288 18812 1825 1 4 . 1 1 54 54 THR HA H 54 3.490 3.490 4.471 -0.981 18812 1826 1 4 . 1 1 54 54 THR C C 54 173.600 173.600 175.494 -1.894 18812 1827 1 4 . 1 1 54 54 THR CA C 54 60.800 60.800 62.993 -2.193 18812 1828 1 4 . 1 1 54 54 THR CB C 54 69.700 69.700 68.470 1.230 18812 1829 1 4 . 1 1 54 54 THR H H 54 6.990 6.990 7.820 -0.830 18812 1830 1 4 . 1 1 55 55 ASP N N 55 126.400 126.400 124.380 2.020 18812 1831 1 4 . 1 1 55 55 ASP HA H 55 4.630 4.630 5.083 -0.453 18812 1832 1 4 . 1 1 55 55 ASP CA C 55 52.600 52.600 51.616 0.984 18812 1833 1 4 . 1 1 55 55 ASP CB C 55 42.200 42.200 41.612 0.588 18812 1834 1 4 . 1 1 55 55 ASP H H 55 6.900 6.900 7.869 -0.969 18812 1835 1 4 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.350 -0.010 18812 1836 1 4 . 1 1 56 56 PRO C C 56 178.500 178.500 178.556 -0.056 18812 1837 1 4 . 1 1 56 56 PRO CA C 56 65.100 65.100 64.897 0.203 18812 1838 1 4 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.101 -0.001 18812 1839 1 4 . 1 1 57 57 GLU N N 57 115.700 115.700 118.314 -2.614 18812 1840 1 4 . 1 1 57 57 GLU C C 57 176.300 176.300 178.349 -2.049 18812 1841 1 4 . 1 1 57 57 GLU CA C 57 59.600 59.600 59.460 0.140 18812 1842 1 4 . 1 1 57 57 GLU CB C 57 29.400 29.400 28.747 0.653 18812 1843 1 4 . 1 1 57 57 GLU H H 57 8.640 8.640 8.655 -0.015 18812 1844 1 4 . 1 1 58 58 SER N N 58 115.000 115.000 113.886 1.114 18812 1845 1 4 . 1 1 58 58 SER HA H 58 4.260 4.260 4.366 -0.106 18812 1846 1 4 . 1 1 58 58 SER C C 58 177.400 177.400 175.964 1.436 18812 1847 1 4 . 1 1 58 58 SER CA C 58 62.900 62.900 60.979 1.921 18812 1848 1 4 . 1 1 58 58 SER CB C 58 69.300 69.300 63.381 5.919 18812 1849 1 4 . 1 1 58 58 SER H H 58 8.180 8.180 7.845 0.335 18812 1850 1 4 . 1 1 60 60 ALA N N 60 123.000 123.000 124.547 -1.547 18812 1851 1 4 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.289 0.341 18812 1852 1 4 . 1 1 60 60 ALA C C 60 180.600 180.600 178.814 1.786 18812 1853 1 4 . 1 1 60 60 ALA CA C 60 53.600 53.600 54.314 -0.714 18812 1854 1 4 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.151 1.049 18812 1855 1 4 . 1 1 60 60 ALA H H 60 8.020 8.020 8.264 -0.244 18812 1856 1 4 . 1 1 61 61 GLN N N 61 114.000 114.000 117.492 -3.492 18812 1857 1 4 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.096 -0.076 18812 1858 1 4 . 1 1 61 61 GLN C C 61 176.900 176.900 177.661 -0.761 18812 1859 1 4 . 1 1 61 61 GLN CA C 61 54.900 54.900 57.903 -3.003 18812 1860 1 4 . 1 1 61 61 GLN CB C 61 28.500 28.500 28.555 -0.055 18812 1861 1 4 . 1 1 61 61 GLN H H 61 7.500 7.500 7.748 -0.248 18812 1862 1 4 . 1 1 62 62 ILE N N 62 123.900 123.900 118.468 5.432 18812 1863 1 4 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.847 -0.067 18812 1864 1 4 . 1 1 62 62 ILE C C 62 176.800 176.800 177.577 -0.777 18812 1865 1 4 . 1 1 62 62 ILE CA C 62 65.900 65.900 63.988 1.912 18812 1866 1 4 . 1 1 62 62 ILE CB C 62 37.700 37.700 37.737 -0.037 18812 1867 1 4 . 1 1 62 62 ILE H H 62 7.240 7.240 7.791 -0.551 18812 1868 1 4 . 1 1 63 63 ASP N N 63 114.100 114.100 117.436 -3.336 18812 1869 1 4 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.737 0.073 18812 1870 1 4 . 1 1 63 63 ASP C C 63 177.500 177.500 176.783 0.717 18812 1871 1 4 . 1 1 63 63 ASP CA C 63 51.700 51.700 53.889 -2.189 18812 1872 1 4 . 1 1 63 63 ASP CB C 63 40.300 40.300 43.432 -3.132 18812 1873 1 4 . 1 1 63 63 ASP H H 63 7.860 7.860 7.752 0.108 18812 1874 1 4 . 1 1 64 64 GLY N N 64 104.800 104.800 108.710 -3.910 18812 1875 1 4 . 1 1 64 64 GLY C C 64 173.400 173.400 173.450 -0.050 18812 1876 1 4 . 1 1 64 64 GLY CA C 64 45.900 45.900 45.386 0.514 18812 1877 1 4 . 1 1 64 64 GLY H H 64 7.860 7.860 8.191 -0.331 18812 1878 1 4 . 1 1 65 65 VAL N N 65 117.700 117.700 118.686 -0.986 18812 1879 1 4 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.382 0.118 18812 1880 1 4 . 1 1 65 65 VAL C C 65 173.300 173.300 174.347 -1.047 18812 1881 1 4 . 1 1 65 65 VAL CA C 65 60.100 60.100 61.419 -1.319 18812 1882 1 4 . 1 1 65 65 VAL CB C 65 36.100 36.100 35.503 0.597 18812 1883 1 4 . 1 1 65 65 VAL H H 65 7.550 7.550 8.048 -0.498 18812 1884 1 4 . 1 1 66 66 VAL N N 66 129.500 129.500 126.679 2.821 18812 1885 1 4 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.584 0.146 18812 1886 1 4 . 1 1 66 66 VAL C C 66 174.300 174.300 174.810 -0.510 18812 1887 1 4 . 1 1 66 66 VAL CA C 66 61.500 61.500 61.822 -0.322 18812 1888 1 4 . 1 1 66 66 VAL CB C 66 31.800 31.800 32.548 -0.748 18812 1889 1 4 . 1 1 66 66 VAL H H 66 8.540 8.540 8.485 0.055 18812 1890 1 4 . 1 1 67 67 SER N N 67 123.500 123.500 124.866 -1.366 18812 1891 1 4 . 1 1 67 67 SER HA H 67 5.510 5.510 4.786 0.724 18812 1892 1 4 . 1 1 67 67 SER CA C 67 55.700 55.700 57.261 -1.561 18812 1893 1 4 . 1 1 67 67 SER CB C 67 66.100 66.100 65.643 0.457 18812 1894 1 4 . 1 1 67 67 SER H H 67 9.370 9.370 8.958 0.412 18812 1895 1 4 . 1 1 68 68 LYS C C 68 177.100 177.100 177.605 -0.505 18812 1896 1 4 . 1 1 69 69 ASP N N 69 114.800 114.800 116.529 -1.729 18812 1897 1 4 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.409 0.041 18812 1898 1 4 . 1 1 69 69 ASP C C 69 178.800 178.800 177.854 0.946 18812 1899 1 4 . 1 1 69 69 ASP CA C 69 56.900 56.900 56.539 0.361 18812 1900 1 4 . 1 1 69 69 ASP CB C 69 40.400 40.400 39.713 0.687 18812 1901 1 4 . 1 1 69 69 ASP H H 69 8.420 8.420 8.569 -0.149 18812 1902 1 4 . 1 1 70 70 GLU N N 70 120.300 120.300 120.024 0.276 18812 1903 1 4 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.081 0.069 18812 1904 1 4 . 1 1 70 70 GLU C C 70 178.000 178.000 178.784 -0.784 18812 1905 1 4 . 1 1 70 70 GLU CA C 70 59.200 59.200 59.142 0.058 18812 1906 1 4 . 1 1 70 70 GLU CB C 70 28.600 28.600 28.968 -0.368 18812 1907 1 4 . 1 1 70 70 GLU H H 70 7.600 7.600 8.338 -0.738 18812 1908 1 4 . 1 1 71 71 ILE N N 71 119.100 119.100 121.359 -2.259 18812 1909 1 4 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.506 -0.076 18812 1910 1 4 . 1 1 71 71 ILE C C 71 177.300 177.300 178.066 -0.766 18812 1911 1 4 . 1 1 71 71 ILE CA C 71 67.300 67.300 64.938 2.362 18812 1912 1 4 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.770 0.030 18812 1913 1 4 . 1 1 71 71 ILE H H 71 8.050 8.050 7.885 0.165 18812 1914 1 4 . 1 1 72 72 GLU N N 72 116.200 116.200 118.162 -1.962 18812 1915 1 4 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.955 -0.305 18812 1916 1 4 . 1 1 72 72 GLU C C 72 178.000 178.000 178.734 -0.734 18812 1917 1 4 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.046 1.954 18812 1918 1 4 . 1 1 72 72 GLU CB C 72 30.200 30.200 28.932 1.268 18812 1919 1 4 . 1 1 72 72 GLU H H 72 8.460 8.460 8.247 0.213 18812 1920 1 4 . 1 1 73 73 LYS N N 73 118.600 118.600 121.590 -2.990 18812 1921 1 4 . 1 1 73 73 LYS C C 73 179.000 179.000 178.734 0.266 18812 1922 1 4 . 1 1 73 73 LYS CA C 73 59.400 59.400 58.883 0.517 18812 1923 1 4 . 1 1 73 73 LYS CB C 73 32.600 32.600 32.041 0.559 18812 1924 1 4 . 1 1 73 73 LYS H H 73 8.020 8.020 8.350 -0.330 18812 1925 1 4 . 1 1 74 74 PHE N N 74 118.500 118.500 117.798 0.702 18812 1926 1 4 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.282 0.038 18812 1927 1 4 . 1 1 74 74 PHE C C 74 179.400 179.400 178.351 1.049 18812 1928 1 4 . 1 1 74 74 PHE CA C 74 61.300 61.300 60.729 0.571 18812 1929 1 4 . 1 1 74 74 PHE CB C 74 38.300 38.300 38.742 -0.442 18812 1930 1 4 . 1 1 74 74 PHE H H 74 8.870 8.870 8.318 0.552 18812 1931 1 4 . 1 1 75 75 ILE N N 75 119.000 119.000 119.774 -0.774 18812 1932 1 4 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.586 0.184 18812 1933 1 4 . 1 1 75 75 ILE C C 75 177.900 177.900 178.412 -0.512 18812 1934 1 4 . 1 1 75 75 ILE CA C 75 66.800 66.800 65.317 1.483 18812 1935 1 4 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.581 0.919 18812 1936 1 4 . 1 1 75 75 ILE H H 75 8.570 8.570 8.198 0.372 18812 1937 1 4 . 1 1 76 76 ALA N N 76 122.200 122.200 121.848 0.352 18812 1938 1 4 . 1 1 76 76 ALA HA H 76 4.570 4.570 3.994 0.576 18812 1939 1 4 . 1 1 76 76 ALA C C 76 181.000 181.000 179.336 1.664 18812 1940 1 4 . 1 1 76 76 ALA CA C 76 54.600 54.600 55.203 -0.603 18812 1941 1 4 . 1 1 76 76 ALA CB C 76 18.400 18.400 17.908 0.492 18812 1942 1 4 . 1 1 76 76 ALA H H 76 8.230 8.230 8.374 -0.144 18812 1943 1 4 . 1 1 77 77 ASP N N 77 117.200 117.200 118.270 -1.070 18812 1944 1 4 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.439 0.001 18812 1945 1 4 . 1 1 77 77 ASP C C 77 177.200 177.200 177.262 -0.062 18812 1946 1 4 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.613 0.087 18812 1947 1 4 . 1 1 77 77 ASP CB C 77 41.100 41.100 41.149 -0.049 18812 1948 1 4 . 1 1 77 77 ASP H H 77 7.900 7.900 7.712 0.188 18812 1949 1 4 . 1 1 78 78 VAL N N 78 118.100 118.100 117.885 0.215 18812 1950 1 4 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.060 -0.090 18812 1951 1 4 . 1 1 78 78 VAL C C 78 177.800 177.800 175.405 2.395 18812 1952 1 4 . 1 1 78 78 VAL CA C 78 64.800 64.800 62.000 2.800 18812 1953 1 4 . 1 1 78 78 VAL CB C 78 32.700 32.700 29.709 2.991 18812 1954 1 4 . 1 1 78 78 VAL H H 78 7.730 7.730 7.693 0.037 18812 1955 1 4 . 1 1 79 79 THR N N 79 109.800 109.800 112.015 -2.215 18812 1956 1 4 . 1 1 79 79 THR HA H 79 4.100 4.100 3.834 0.266 18812 1957 1 4 . 1 1 79 79 THR C C 79 175.700 175.700 174.343 1.357 18812 1958 1 4 . 1 1 79 79 THR CA C 79 69.400 69.400 63.793 5.607 18812 1959 1 4 . 1 1 79 79 THR CB C 79 63.100 63.100 67.707 -4.607 18812 1960 1 4 . 1 1 79 79 THR H H 79 8.830 8.830 7.584 1.246 18812 1961 1 4 . 1 1 80 80 LYS N N 80 115.700 115.700 120.809 -5.109 18812 1962 1 4 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.366 -0.356 18812 1963 1 4 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.840 -2.140 18812 1964 1 4 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.877 -4.477 18812 1965 1 4 . 1 1 80 80 LYS H H 80 8.440 8.440 7.722 0.718 18812 1966 1 4 . 1 1 81 81 ASP N N 81 119.600 119.600 117.508 2.092 18812 1967 1 4 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.270 0.580 18812 1968 1 4 . 1 1 81 81 ASP C C 81 174.400 174.400 175.179 -0.779 18812 1969 1 4 . 1 1 81 81 ASP CA C 81 51.200 51.200 56.966 -5.766 18812 1970 1 4 . 1 1 81 81 ASP CB C 81 44.400 44.400 39.688 4.712 18812 1971 1 4 . 1 1 81 81 ASP H H 81 8.140 8.140 7.941 0.199 18812 1972 1 4 . 1 1 82 82 GLU N N 82 120.500 120.500 122.098 -1.598 18812 1973 1 4 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.776 -0.326 18812 1974 1 4 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.972 0.228 18812 1975 1 4 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.700 -0.800 18812 1976 1 4 . 1 1 82 82 GLU H H 82 8.810 8.810 8.247 0.563 18812 1977 1 4 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.781 -0.131 18812 1978 1 4 . 1 1 83 83 PRO C C 83 176.900 176.900 176.148 0.752 18812 1979 1 4 . 1 1 83 83 PRO CA C 83 62.400 62.400 61.814 0.586 18812 1980 1 4 . 1 1 83 83 PRO CB C 83 32.600 32.600 32.131 0.469 18812 1981 1 4 . 1 1 84 84 THR N N 84 115.300 115.300 118.376 -3.076 18812 1982 1 4 . 1 1 84 84 THR HA H 84 4.590 4.590 4.441 0.149 18812 1983 1 4 . 1 1 84 84 THR C C 84 175.000 175.000 175.830 -0.830 18812 1984 1 4 . 1 1 84 84 THR CA C 84 59.800 59.800 59.730 0.070 18812 1985 1 4 . 1 1 84 84 THR CB C 84 71.700 71.700 71.457 0.243 18812 1986 1 4 . 1 1 84 84 THR H H 84 9.550 9.550 9.024 0.526 18812 1987 1 4 . 1 1 85 85 ALA N N 85 124.400 124.400 125.159 -0.759 18812 1988 1 4 . 1 1 85 85 ALA HA H 85 4.060 4.060 4.058 0.002 18812 1989 1 4 . 1 1 85 85 ALA C C 85 180.900 180.900 179.525 1.375 18812 1990 1 4 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.525 -0.225 18812 1991 1 4 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.559 -0.559 18812 1992 1 4 . 1 1 85 85 ALA H H 85 8.970 8.970 8.758 0.212 18812 1993 1 4 . 1 1 86 86 GLN N N 86 116.500 116.500 117.649 -1.149 18812 1994 1 4 . 1 1 86 86 GLN HA H 86 4.120 4.120 4.018 0.102 18812 1995 1 4 . 1 1 86 86 GLN CA C 86 58.900 58.900 59.144 -0.244 18812 1996 1 4 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.429 -0.329 18812 1997 1 4 . 1 1 86 86 GLN H H 86 8.680 8.680 8.345 0.335 18812 1998 1 4 . 1 1 87 87 ASP N N 87 122.300 122.300 120.770 1.530 18812 1999 1 4 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.360 0.240 18812 2000 1 4 . 1 1 87 87 ASP C C 87 178.200 178.200 178.611 -0.411 18812 2001 1 4 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.841 -0.041 18812 2002 1 4 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.740 -1.040 18812 2003 1 4 . 1 1 87 87 ASP H H 87 7.820 7.820 7.759 0.061 18812 2004 1 4 . 1 1 88 88 ILE N N 88 120.900 120.900 119.745 1.155 18812 2005 1 4 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.646 -0.166 18812 2006 1 4 . 1 1 88 88 ILE C C 88 177.800 177.800 177.811 -0.011 18812 2007 1 4 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.804 0.996 18812 2008 1 4 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.449 0.851 18812 2009 1 4 . 1 1 88 88 ILE H H 88 8.160 8.160 8.255 -0.095 18812 2010 1 4 . 1 1 89 89 SER N N 89 113.200 113.200 116.074 -2.874 18812 2011 1 4 . 1 1 89 89 SER HA H 89 4.240 4.240 3.981 0.259 18812 2012 1 4 . 1 1 89 89 SER C C 89 177.200 177.200 176.717 0.483 18812 2013 1 4 . 1 1 89 89 SER CA C 89 61.700 61.700 62.240 -0.540 18812 2014 1 4 . 1 1 89 89 SER CB C 89 62.700 62.700 63.072 -0.372 18812 2015 1 4 . 1 1 89 89 SER H H 89 7.970 7.970 8.090 -0.120 18812 2016 1 4 . 1 1 90 90 ARG N N 90 123.100 123.100 121.505 1.595 18812 2017 1 4 . 1 1 90 90 ARG HA H 90 4.110 4.110 3.923 0.187 18812 2018 1 4 . 1 1 90 90 ARG CA C 90 59.900 59.900 59.732 0.168 18812 2019 1 4 . 1 1 90 90 ARG CB C 90 31.700 31.700 30.177 1.523 18812 2020 1 4 . 1 1 90 90 ARG H H 90 8.450 8.450 8.102 0.348 18812 2021 1 4 . 1 1 91 91 VAL N N 91 119.200 119.200 119.737 -0.537 18812 2022 1 4 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.626 -0.196 18812 2023 1 4 . 1 1 91 91 VAL C C 91 177.300 177.300 177.807 -0.507 18812 2024 1 4 . 1 1 91 91 VAL CA C 91 66.800 66.800 66.879 -0.079 18812 2025 1 4 . 1 1 91 91 VAL CB C 91 31.700 31.700 31.491 0.209 18812 2026 1 4 . 1 1 91 91 VAL H H 91 8.140 8.140 8.116 0.024 18812 2027 1 4 . 1 1 92 92 ALA N N 92 121.100 121.100 121.257 -0.157 18812 2028 1 4 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.860 0.100 18812 2029 1 4 . 1 1 92 92 ALA C C 92 179.200 179.200 179.781 -0.581 18812 2030 1 4 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.401 0.499 18812 2031 1 4 . 1 1 92 92 ALA CB C 92 18.400 18.400 17.878 0.522 18812 2032 1 4 . 1 1 92 92 ALA H H 92 9.020 9.020 8.409 0.611 18812 2033 1 4 . 1 1 93 93 SER N N 93 112.100 112.100 114.758 -2.658 18812 2034 1 4 . 1 1 93 93 SER HA H 93 4.240 4.240 4.131 0.109 18812 2035 1 4 . 1 1 93 93 SER C C 93 177.300 177.300 176.928 0.372 18812 2036 1 4 . 1 1 93 93 SER CA C 93 62.000 62.000 61.966 0.034 18812 2037 1 4 . 1 1 93 93 SER CB C 93 62.700 62.700 62.658 0.042 18812 2038 1 4 . 1 1 93 93 SER H H 93 8.730 8.730 8.041 0.689 18812 2039 1 4 . 1 1 94 94 ARG N N 94 122.500 122.500 121.530 0.970 18812 2040 1 4 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.095 0.165 18812 2041 1 4 . 1 1 94 94 ARG C C 94 179.900 179.900 178.908 0.992 18812 2042 1 4 . 1 1 94 94 ARG CA C 94 57.800 57.800 57.732 0.068 18812 2043 1 4 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.506 -0.306 18812 2044 1 4 . 1 1 94 94 ARG H H 94 7.520 7.520 7.964 -0.444 18812 2045 1 4 . 1 1 95 95 LEU N N 95 121.500 121.500 116.883 4.617 18812 2046 1 4 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.127 0.113 18812 2047 1 4 . 1 1 95 95 LEU C C 95 179.000 179.000 178.233 0.767 18812 2048 1 4 . 1 1 95 95 LEU CA C 95 58.100 58.100 57.806 0.294 18812 2049 1 4 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.505 1.295 18812 2050 1 4 . 1 1 95 95 LEU H H 95 8.350 8.350 8.012 0.338 18812 2051 1 4 . 1 1 96 96 ALA N N 96 121.900 121.900 122.184 -0.284 18812 2052 1 4 . 1 1 96 96 ALA HA H 96 4.320 4.320 3.705 0.615 18812 2053 1 4 . 1 1 96 96 ALA C C 96 182.200 182.200 179.591 2.609 18812 2054 1 4 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.339 0.761 18812 2055 1 4 . 1 1 96 96 ALA CB C 96 18.000 18.000 18.177 -0.177 18812 2056 1 4 . 1 1 96 96 ALA H H 96 8.740 8.740 7.955 0.784 18812 2057 1 4 . 1 1 97 97 ALA N N 97 121.400 121.400 120.122 1.278 18812 2058 1 4 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.024 0.206 18812 2059 1 4 . 1 1 97 97 ALA C C 97 179.200 179.200 179.407 -0.207 18812 2060 1 4 . 1 1 97 97 ALA CA C 97 54.600 54.600 53.854 0.746 18812 2061 1 4 . 1 1 97 97 ALA CB C 97 18.000 18.000 18.509 -0.509 18812 2062 1 4 . 1 1 97 97 ALA H H 97 8.190 8.190 8.000 0.190 18812 2063 1 4 . 1 1 98 98 GLY N N 98 103.500 103.500 105.317 -1.817 18812 2064 1 4 . 1 1 98 98 GLY C C 98 173.700 173.700 175.040 -1.340 18812 2065 1 4 . 1 1 98 98 GLY CA C 98 44.800 44.800 45.718 -0.918 18812 2066 1 4 . 1 1 98 98 GLY H H 98 7.710 7.710 7.813 -0.103 18812 2067 1 4 . 1 1 99 99 GLY N N 99 107.600 107.600 106.619 0.981 18812 2068 1 4 . 1 1 99 99 GLY CA C 99 45.200 45.200 45.113 0.087 18812 2069 1 4 . 1 1 99 99 GLY H H 99 7.710 7.710 7.998 -0.288 18812 2070 1 4 . 1 1 100 100 TRP N N 100 123.600 123.600 121.669 1.931 18812 2071 1 4 . 1 1 100 100 TRP CB C 100 52.300 52.300 28.745 23.555 18812 2072 1 4 . 1 1 100 100 TRP H H 100 7.820 7.820 7.940 -0.120 18812 2073 1 4 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.771 -0.841 18812 2074 1 4 . 1 1 101 101 PRO C C 101 175.600 175.600 175.677 -0.077 18812 2075 1 4 . 1 1 101 101 PRO CA C 101 62.600 62.600 62.319 0.280 18812 2076 1 4 . 1 1 101 101 PRO CB C 101 34.200 34.200 33.767 0.434 18812 2077 1 4 . 1 1 102 102 LEU N N 102 122.800 122.800 121.431 1.369 18812 2078 1 4 . 1 1 102 102 LEU H H 102 8.470 8.470 8.495 -0.025 18812 2079 1 4 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.303 0.357 18812 2080 1 4 . 1 1 103 103 ALA C C 103 177.100 177.100 176.175 0.925 18812 2081 1 4 . 1 1 103 103 ALA CA C 103 51.500 51.500 52.225 -0.725 18812 2082 1 4 . 1 1 103 103 ALA CB C 103 21.700 21.700 19.546 2.154 18812 2083 1 4 . 1 1 104 104 GLY N N 104 108.500 108.500 107.974 0.526 18812 2084 1 4 . 1 1 104 104 GLY C C 104 173.900 173.900 174.786 -0.886 18812 2085 1 4 . 1 1 104 104 GLY CA C 104 45.900 45.900 45.537 0.363 18812 2086 1 4 . 1 1 104 104 GLY H H 104 8.700 8.700 8.356 0.344 18812 2087 1 4 . 1 1 105 105 VAL N N 105 116.700 116.700 116.843 -0.143 18812 2088 1 4 . 1 1 105 105 VAL HA H 105 4.220 4.220 3.864 0.356 18812 2089 1 4 . 1 1 105 105 VAL C C 105 174.700 174.700 175.673 -0.973 18812 2090 1 4 . 1 1 105 105 VAL CA C 105 61.000 61.000 63.827 -2.827 18812 2091 1 4 . 1 1 105 105 VAL CB C 105 33.100 33.100 31.558 1.542 18812 2092 1 4 . 1 1 105 105 VAL H H 105 7.660 7.660 7.683 -0.023 18812 2093 1 4 . 1 1 106 106 ASP N N 106 125.100 125.100 120.703 4.397 18812 2094 1 4 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.793 -0.123 18812 2095 1 4 . 1 1 106 106 ASP C C 106 176.500 176.500 175.524 0.976 18812 2096 1 4 . 1 1 106 106 ASP CA C 106 54.000 54.000 54.469 -0.470 18812 2097 1 4 . 1 1 106 106 ASP CB C 106 41.300 41.300 40.173 1.127 18812 2098 1 4 . 1 1 106 106 ASP H H 106 8.600 8.600 8.363 0.237 18812 2099 1 4 . 1 1 107 107 SER N N 107 117.400 117.400 118.896 -1.496 18812 2100 1 4 . 1 1 107 107 SER HA H 107 4.320 4.320 4.618 -0.298 18812 2101 1 4 . 1 1 107 107 SER C C 107 175.400 175.400 175.702 -0.302 18812 2102 1 4 . 1 1 107 107 SER CA C 107 59.500 59.500 59.125 0.375 18812 2103 1 4 . 1 1 107 107 SER CB C 107 63.200 63.200 64.544 -1.344 18812 2104 1 4 . 1 1 107 107 SER H H 107 8.560 8.560 8.292 0.268 18812 2105 1 4 . 1 1 108 108 THR N N 108 115.100 115.100 115.067 0.033 18812 2106 1 4 . 1 1 108 108 THR HA H 108 4.260 4.260 4.401 -0.141 18812 2107 1 4 . 1 1 108 108 THR C C 108 174.800 174.800 173.709 1.091 18812 2108 1 4 . 1 1 108 108 THR CA C 108 63.000 63.000 62.901 0.099 18812 2109 1 4 . 1 1 108 108 THR CB C 108 69.300 69.300 68.896 0.404 18812 2110 1 4 . 1 1 108 108 THR H H 108 8.230 8.230 8.447 -0.217 18812 2111 1 4 . 1 1 109 109 ALA N N 109 125.000 125.000 123.915 1.085 18812 2112 1 4 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.479 -0.119 18812 2113 1 4 . 1 1 109 109 ALA C C 109 177.500 177.500 175.104 2.396 18812 2114 1 4 . 1 1 109 109 ALA CA C 109 52.500 52.500 51.440 1.060 18812 2115 1 4 . 1 1 109 109 ALA CB C 109 19.100 19.100 19.016 0.084 18812 2116 1 4 . 1 1 109 109 ALA H H 109 8.020 8.020 7.999 0.021 18812 2117 1 4 . 1 1 110 110 LEU N N 110 119.400 119.400 120.115 -0.715 18812 2118 1 4 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.860 -0.510 18812 2119 1 4 . 1 1 110 110 LEU C C 110 176.800 176.800 175.804 0.996 18812 2120 1 4 . 1 1 110 110 LEU CA C 110 55.000 55.000 54.768 0.232 18812 2121 1 4 . 1 1 110 110 LEU CB C 110 42.000 42.000 42.490 -0.490 18812 2122 1 4 . 1 1 110 110 LEU H H 110 7.880 7.880 7.879 0.001 18812 2123 1 4 . 1 1 111 111 ASN N N 111 118.700 118.700 121.786 -3.086 18812 2124 1 4 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.765 -0.035 18812 2125 1 4 . 1 1 111 111 ASN C C 111 173.600 173.600 175.869 -2.269 18812 2126 1 4 . 1 1 111 111 ASN CA C 111 52.900 52.900 53.800 -0.900 18812 2127 1 4 . 1 1 111 111 ASN CB C 111 39.000 39.000 40.524 -1.524 18812 2128 1 4 . 1 1 111 111 ASN H H 111 8.230 8.230 9.215 -0.985 18812 2129 1 5 . 1 1 10 10 GLY C C 10 174.100 174.100 173.557 0.543 18812 2130 1 5 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.477 -0.177 18812 2131 1 5 . 1 1 10 10 GLY H H 10 8.500 8.500 8.610 -0.110 18812 2132 1 5 . 1 1 11 11 THR N N 11 113.700 113.700 115.518 -1.818 18812 2133 1 5 . 1 1 11 11 THR HA H 11 4.350 4.350 4.463 -0.113 18812 2134 1 5 . 1 1 11 11 THR C C 11 174.700 174.700 173.607 1.093 18812 2135 1 5 . 1 1 11 11 THR CA C 11 62.000 62.000 62.140 -0.140 18812 2136 1 5 . 1 1 11 11 THR CB C 11 69.800 69.800 70.525 -0.725 18812 2137 1 5 . 1 1 11 11 THR H H 11 8.100 8.100 8.230 -0.130 18812 2138 1 5 . 1 1 12 12 LEU N N 12 124.100 124.100 125.467 -1.367 18812 2139 1 5 . 1 1 12 12 LEU C C 12 177.600 177.600 175.954 1.646 18812 2140 1 5 . 1 1 12 12 LEU CA C 12 55.400 55.400 53.988 1.412 18812 2141 1 5 . 1 1 12 12 LEU CB C 12 42.000 42.000 44.167 -2.167 18812 2142 1 5 . 1 1 12 12 LEU H H 12 8.380 8.380 8.266 0.114 18812 2143 1 5 . 1 1 13 13 GLU N N 13 121.500 121.500 123.431 -1.931 18812 2144 1 5 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.516 -0.296 18812 2145 1 5 . 1 1 13 13 GLU C C 13 176.300 176.300 175.169 1.131 18812 2146 1 5 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.556 1.344 18812 2147 1 5 . 1 1 13 13 GLU CB C 13 29.600 29.600 31.175 -1.575 18812 2148 1 5 . 1 1 13 13 GLU H H 13 8.440 8.440 8.492 -0.052 18812 2149 1 5 . 1 1 14 14 ALA N N 14 124.300 124.300 125.452 -1.152 18812 2150 1 5 . 1 1 14 14 ALA CA C 14 52.600 52.600 51.420 1.179 18812 2151 1 5 . 1 1 14 14 ALA CB C 14 19.000 19.000 19.039 -0.039 18812 2152 1 5 . 1 1 14 14 ALA H H 14 8.280 8.280 8.229 0.051 18812 2153 1 5 . 1 1 15 15 GLN N N 15 118.700 118.700 123.457 -4.757 18812 2154 1 5 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.295 0.105 18812 2155 1 5 . 1 1 15 15 GLN C C 15 176.300 176.300 175.822 0.478 18812 2156 1 5 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.434 0.366 18812 2157 1 5 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.587 0.713 18812 2158 1 5 . 1 1 15 15 GLN H H 15 8.360 8.360 8.481 -0.121 18812 2159 1 5 . 1 1 16 16 THR N N 16 114.800 114.800 122.393 -7.593 18812 2160 1 5 . 1 1 16 16 THR C C 16 174.400 174.400 174.378 0.022 18812 2161 1 5 . 1 1 16 16 THR CA C 16 62.000 62.000 62.971 -0.972 18812 2162 1 5 . 1 1 16 16 THR CB C 16 69.700 69.700 69.225 0.475 18812 2163 1 5 . 1 1 16 16 THR H H 16 8.200 8.200 8.393 -0.193 18812 2164 1 5 . 1 1 17 17 GLN N N 17 122.200 122.200 127.222 -5.022 18812 2165 1 5 . 1 1 17 17 GLN C C 17 175.900 175.900 176.100 -0.200 18812 2166 1 5 . 1 1 17 17 GLN CA C 17 55.500 55.500 54.999 0.501 18812 2167 1 5 . 1 1 17 17 GLN CB C 17 29.600 29.600 29.228 0.372 18812 2168 1 5 . 1 1 17 17 GLN H H 17 8.430 8.430 8.586 -0.156 18812 2169 1 5 . 1 1 18 18 GLY N N 18 110.100 110.100 107.041 3.059 18812 2170 1 5 . 1 1 18 18 GLY CA C 18 44.500 44.500 43.047 1.454 18812 2171 1 5 . 1 1 18 18 GLY H H 18 8.360 8.360 8.389 -0.029 18812 2172 1 5 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.480 -0.020 18812 2173 1 5 . 1 1 19 19 PRO C C 19 177.700 177.700 176.269 1.431 18812 2174 1 5 . 1 1 19 19 PRO CA C 19 63.600 63.600 62.822 0.778 18812 2175 1 5 . 1 1 19 19 PRO CB C 19 31.900 31.900 31.773 0.127 18812 2176 1 5 . 1 1 20 20 GLY N N 20 109.600 109.600 108.688 0.912 18812 2177 1 5 . 1 1 20 20 GLY C C 20 174.100 174.100 173.645 0.455 18812 2178 1 5 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.103 0.097 18812 2179 1 5 . 1 1 20 20 GLY H H 20 8.630 8.630 7.864 0.766 18812 2180 1 5 . 1 1 21 21 SER N N 21 115.300 115.300 115.606 -0.306 18812 2181 1 5 . 1 1 21 21 SER HA H 21 4.460 4.460 4.184 0.276 18812 2182 1 5 . 1 1 21 21 SER C C 21 174.100 174.100 172.799 1.301 18812 2183 1 5 . 1 1 21 21 SER CA C 21 58.300 58.300 58.128 0.172 18812 2184 1 5 . 1 1 21 21 SER CB C 21 63.900 63.900 62.205 1.695 18812 2185 1 5 . 1 1 21 21 SER H H 21 8.150 8.150 8.166 -0.016 18812 2186 1 5 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.377 0.063 18812 2187 1 5 . 1 1 22 22 PRO C C 22 176.800 176.800 175.770 1.030 18812 2188 1 5 . 1 1 22 22 PRO CA C 22 63.100 63.100 63.340 -0.240 18812 2189 1 5 . 1 1 22 22 PRO CB C 22 32.100 32.100 31.166 0.934 18812 2190 1 5 . 1 1 23 23 GLU N N 23 120.900 120.900 123.301 -2.401 18812 2191 1 5 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.440 -0.160 18812 2192 1 5 . 1 1 23 23 GLU C C 23 177.000 177.000 177.059 -0.059 18812 2193 1 5 . 1 1 23 23 GLU CA C 23 56.600 56.600 56.131 0.469 18812 2194 1 5 . 1 1 23 23 GLU CB C 23 30.400 30.400 31.331 -0.931 18812 2195 1 5 . 1 1 23 23 GLU H H 23 8.630 8.630 8.238 0.392 18812 2196 1 5 . 1 1 24 24 GLY N N 24 109.800 109.800 111.636 -1.836 18812 2197 1 5 . 1 1 24 24 GLY C C 24 173.600 173.600 173.653 -0.053 18812 2198 1 5 . 1 1 24 24 GLY CA C 24 45.100 45.100 45.673 -0.573 18812 2199 1 5 . 1 1 24 24 GLY H H 24 8.450 8.450 8.974 -0.524 18812 2200 1 5 . 1 1 25 25 VAL N N 25 120.600 120.600 116.260 4.340 18812 2201 1 5 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.580 -0.120 18812 2202 1 5 . 1 1 25 25 VAL CA C 25 59.700 59.700 58.033 1.667 18812 2203 1 5 . 1 1 25 25 VAL CB C 25 32.600 32.600 33.969 -1.369 18812 2204 1 5 . 1 1 25 25 VAL H H 25 7.990 7.990 7.408 0.582 18812 2205 1 5 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.373 0.147 18812 2206 1 5 . 1 1 27 27 PRO C C 27 177.200 177.200 176.238 0.962 18812 2207 1 5 . 1 1 27 27 PRO CA C 27 63.100 63.100 63.339 -0.239 18812 2208 1 5 . 1 1 27 27 PRO CB C 27 32.000 32.000 31.465 0.535 18812 2209 1 5 . 1 1 28 28 THR N N 28 113.000 113.000 116.597 -3.597 18812 2210 1 5 . 1 1 28 28 THR HA H 28 4.270 4.270 4.308 -0.038 18812 2211 1 5 . 1 1 28 28 THR C C 28 174.400 174.400 175.179 -0.779 18812 2212 1 5 . 1 1 28 28 THR CA C 28 62.000 62.000 61.737 0.263 18812 2213 1 5 . 1 1 28 28 THR CB C 28 69.700 69.700 69.962 -0.262 18812 2214 1 5 . 1 1 28 28 THR H H 28 8.160 8.160 8.132 0.028 18812 2215 1 5 . 1 1 29 29 ASP N N 29 122.100 122.100 124.238 -2.138 18812 2216 1 5 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.482 0.098 18812 2217 1 5 . 1 1 29 29 ASP CA C 29 54.300 54.300 55.012 -0.712 18812 2218 1 5 . 1 1 29 29 ASP CB C 29 40.900 40.900 41.317 -0.417 18812 2219 1 5 . 1 1 29 29 ASP H H 29 8.290 8.290 8.698 -0.408 18812 2220 1 5 . 1 1 30 30 ARG N N 30 120.300 120.300 118.485 1.815 18812 2221 1 5 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.362 -0.172 18812 2222 1 5 . 1 1 30 30 ARG C C 30 175.600 175.600 175.226 0.374 18812 2223 1 5 . 1 1 30 30 ARG CA C 30 56.200 56.200 55.028 1.172 18812 2224 1 5 . 1 1 30 30 ARG CB C 30 30.800 30.800 31.863 -1.063 18812 2225 1 5 . 1 1 30 30 ARG H H 30 8.070 8.070 7.666 0.404 18812 2226 1 5 . 1 1 31 31 PHE N N 31 120.500 120.500 119.533 0.967 18812 2227 1 5 . 1 1 31 31 PHE CB C 31 38.800 38.800 38.275 0.525 18812 2228 1 5 . 1 1 31 31 PHE H H 31 8.240 8.240 8.492 -0.252 18812 2229 1 5 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.253 0.187 18812 2230 1 5 . 1 1 32 32 PRO C C 32 177.200 177.200 176.419 0.781 18812 2231 1 5 . 1 1 32 32 PRO CA C 32 63.400 63.400 64.191 -0.791 18812 2232 1 5 . 1 1 32 32 PRO CB C 32 31.700 31.700 32.092 -0.392 18812 2233 1 5 . 1 1 33 33 LEU N N 33 121.000 121.000 119.241 1.759 18812 2234 1 5 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.418 -0.088 18812 2235 1 5 . 1 1 33 33 LEU CA C 33 55.600 55.600 54.454 1.146 18812 2236 1 5 . 1 1 33 33 LEU CB C 33 42.100 42.100 42.398 -0.298 18812 2237 1 5 . 1 1 33 33 LEU H H 33 8.290 8.290 7.656 0.634 18812 2238 1 5 . 1 1 34 34 LEU N N 34 122.100 122.100 119.135 2.965 18812 2239 1 5 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.771 -0.461 18812 2240 1 5 . 1 1 34 34 LEU C C 34 177.300 177.300 176.396 0.904 18812 2241 1 5 . 1 1 34 34 LEU CA C 34 55.200 55.200 54.912 0.288 18812 2242 1 5 . 1 1 34 34 LEU CB C 34 41.900 41.900 42.707 -0.807 18812 2243 1 5 . 1 1 34 34 LEU H H 34 8.110 8.110 8.379 -0.269 18812 2244 1 5 . 1 1 35 35 ALA N N 35 123.400 123.400 122.218 1.182 18812 2245 1 5 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.533 -0.253 18812 2246 1 5 . 1 1 35 35 ALA C C 35 177.600 177.600 176.423 1.177 18812 2247 1 5 . 1 1 35 35 ALA CA C 35 52.700 52.700 51.815 0.886 18812 2248 1 5 . 1 1 35 35 ALA CB C 35 18.800 18.800 20.456 -1.656 18812 2249 1 5 . 1 1 35 35 ALA H H 35 8.140 8.140 7.741 0.399 18812 2250 1 5 . 1 1 36 36 LEU N N 36 120.000 120.000 122.178 -2.178 18812 2251 1 5 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.414 -0.154 18812 2252 1 5 . 1 1 36 36 LEU CA C 36 55.500 55.500 56.103 -0.603 18812 2253 1 5 . 1 1 36 36 LEU CB C 36 42.000 42.000 41.901 0.099 18812 2254 1 5 . 1 1 36 36 LEU H H 36 7.990 7.990 8.468 -0.478 18812 2255 1 5 . 1 1 37 37 LEU N N 37 122.700 122.700 121.062 1.638 18812 2256 1 5 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.210 0.170 18812 2257 1 5 . 1 1 37 37 LEU C C 37 177.100 177.100 176.846 0.254 18812 2258 1 5 . 1 1 37 37 LEU CA C 37 55.000 55.000 55.443 -0.443 18812 2259 1 5 . 1 1 37 37 LEU CB C 37 42.100 42.100 41.030 1.070 18812 2260 1 5 . 1 1 37 37 LEU H H 37 8.190 8.190 8.037 0.153 18812 2261 1 5 . 1 1 38 38 ARG N N 38 121.600 121.600 124.833 -3.233 18812 2262 1 5 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.721 -0.251 18812 2263 1 5 . 1 1 38 38 ARG C C 38 176.200 176.200 175.267 0.933 18812 2264 1 5 . 1 1 38 38 ARG CA C 38 55.100 55.100 54.166 0.934 18812 2265 1 5 . 1 1 38 38 ARG CB C 38 31.200 31.200 32.445 -1.245 18812 2266 1 5 . 1 1 38 38 ARG H H 38 8.040 8.040 8.107 -0.067 18812 2267 1 5 . 1 1 39 39 ARG N N 39 123.600 123.600 119.370 4.230 18812 2268 1 5 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.437 -0.067 18812 2269 1 5 . 1 1 39 39 ARG C C 39 175.500 175.500 176.047 -0.547 18812 2270 1 5 . 1 1 39 39 ARG CA C 39 56.700 56.700 58.092 -1.392 18812 2271 1 5 . 1 1 39 39 ARG CB C 39 31.200 31.200 30.960 0.239 18812 2272 1 5 . 1 1 39 39 ARG H H 39 8.840 8.840 8.503 0.337 18812 2273 1 5 . 1 1 40 40 THR N N 40 113.900 113.900 112.172 1.728 18812 2274 1 5 . 1 1 40 40 THR HA H 40 4.770 4.770 4.328 0.442 18812 2275 1 5 . 1 1 40 40 THR C C 40 175.300 175.300 174.075 1.225 18812 2276 1 5 . 1 1 40 40 THR CA C 40 59.500 59.500 61.934 -2.434 18812 2277 1 5 . 1 1 40 40 THR CB C 40 71.700 71.700 69.520 2.180 18812 2278 1 5 . 1 1 40 40 THR H H 40 8.150 8.150 7.591 0.559 18812 2279 1 5 . 1 1 41 41 LEU N N 41 123.100 123.100 127.184 -4.084 18812 2280 1 5 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.622 -0.152 18812 2281 1 5 . 1 1 41 41 LEU C C 41 179.700 179.700 176.785 2.915 18812 2282 1 5 . 1 1 41 41 LEU CA C 41 54.900 54.900 54.029 0.871 18812 2283 1 5 . 1 1 41 41 LEU CB C 41 43.000 43.000 41.592 1.408 18812 2284 1 5 . 1 1 41 41 LEU H H 41 9.480 9.480 8.792 0.688 18812 2285 1 5 . 1 1 42 42 THR N N 42 115.100 115.100 120.067 -4.967 18812 2286 1 5 . 1 1 42 42 THR HA H 42 4.580 4.580 4.188 0.392 18812 2287 1 5 . 1 1 42 42 THR C C 42 175.400 175.400 175.610 -0.210 18812 2288 1 5 . 1 1 42 42 THR CA C 42 60.900 60.900 61.529 -0.629 18812 2289 1 5 . 1 1 42 42 THR CB C 42 70.600 70.600 70.604 -0.004 18812 2290 1 5 . 1 1 42 42 THR H H 42 8.790 8.790 8.247 0.543 18812 2291 1 5 . 1 1 43 43 GLU N N 43 121.400 121.400 121.871 -0.471 18812 2292 1 5 . 1 1 43 43 GLU HA H 43 4.020 4.020 4.005 0.015 18812 2293 1 5 . 1 1 43 43 GLU C C 43 179.100 179.100 178.239 0.861 18812 2294 1 5 . 1 1 43 43 GLU CA C 43 59.700 59.700 59.984 -0.284 18812 2295 1 5 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.552 -0.652 18812 2296 1 5 . 1 1 43 43 GLU H H 43 9.020 9.020 8.998 0.022 18812 2297 1 5 . 1 1 44 44 GLU N N 44 118.300 118.300 118.292 0.008 18812 2298 1 5 . 1 1 44 44 GLU HA H 44 4.020 4.020 4.024 -0.004 18812 2299 1 5 . 1 1 44 44 GLU C C 44 179.700 179.700 179.005 0.695 18812 2300 1 5 . 1 1 44 44 GLU CA C 44 60.200 60.200 60.076 0.124 18812 2301 1 5 . 1 1 44 44 GLU CB C 44 29.000 29.000 29.007 -0.007 18812 2302 1 5 . 1 1 44 44 GLU H H 44 8.810 8.810 8.146 0.664 18812 2303 1 5 . 1 1 45 45 GLN N N 45 119.300 119.300 118.539 0.761 18812 2304 1 5 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.310 -0.090 18812 2305 1 5 . 1 1 45 45 GLN C C 45 178.500 178.500 178.874 -0.374 18812 2306 1 5 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.628 -0.328 18812 2307 1 5 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.014 1.186 18812 2308 1 5 . 1 1 45 45 GLN H H 45 7.800 7.800 7.757 0.043 18812 2309 1 5 . 1 1 46 46 VAL N N 46 121.000 121.000 120.914 0.086 18812 2310 1 5 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.614 -0.214 18812 2311 1 5 . 1 1 46 46 VAL C C 46 177.500 177.500 177.889 -0.389 18812 2312 1 5 . 1 1 46 46 VAL CA C 46 67.600 67.600 67.150 0.450 18812 2313 1 5 . 1 1 46 46 VAL CB C 46 31.300 31.300 31.586 -0.286 18812 2314 1 5 . 1 1 46 46 VAL H H 46 8.420 8.420 8.523 -0.103 18812 2315 1 5 . 1 1 47 47 GLN N N 47 115.900 115.900 117.918 -2.018 18812 2316 1 5 . 1 1 47 47 GLN HA H 47 3.890 3.890 3.981 -0.091 18812 2317 1 5 . 1 1 47 47 GLN C C 47 178.500 178.500 178.150 0.350 18812 2318 1 5 . 1 1 47 47 GLN CA C 47 58.800 58.800 58.801 -0.001 18812 2319 1 5 . 1 1 47 47 GLN CB C 47 27.700 27.700 28.184 -0.484 18812 2320 1 5 . 1 1 47 47 GLN H H 47 7.470 7.470 8.304 -0.834 18812 2321 1 5 . 1 1 48 48 GLU N N 48 121.400 121.400 121.502 -0.102 18812 2322 1 5 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.081 0.039 18812 2323 1 5 . 1 1 48 48 GLU C C 48 178.500 178.500 178.799 -0.299 18812 2324 1 5 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.305 -0.005 18812 2325 1 5 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.404 0.396 18812 2326 1 5 . 1 1 48 48 GLU H H 48 7.940 7.940 8.250 -0.310 18812 2327 1 5 . 1 1 49 49 VAL N N 49 120.300 120.300 121.423 -1.123 18812 2328 1 5 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.728 -0.138 18812 2329 1 5 . 1 1 49 49 VAL CA C 49 67.200 67.200 67.370 -0.170 18812 2330 1 5 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.733 -0.233 18812 2331 1 5 . 1 1 49 49 VAL H H 49 8.580 8.580 8.084 0.496 18812 2332 1 5 . 1 1 50 50 VAL N N 50 118.700 118.700 118.904 -0.204 18812 2333 1 5 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.493 -0.273 18812 2334 1 5 . 1 1 50 50 VAL C C 50 178.600 178.600 177.735 0.865 18812 2335 1 5 . 1 1 50 50 VAL CA C 50 67.500 67.500 66.611 0.889 18812 2336 1 5 . 1 1 50 50 VAL CB C 50 31.400 31.400 31.030 0.370 18812 2337 1 5 . 1 1 50 50 VAL H H 50 8.350 8.350 8.124 0.226 18812 2338 1 5 . 1 1 51 51 ALA N N 51 123.200 123.200 122.637 0.563 18812 2339 1 5 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.083 -0.253 18812 2340 1 5 . 1 1 51 51 ALA C C 51 180.100 180.100 179.235 0.865 18812 2341 1 5 . 1 1 51 51 ALA CA C 51 55.300 55.300 55.151 0.149 18812 2342 1 5 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.244 -0.544 18812 2343 1 5 . 1 1 51 51 ALA H H 51 8.320 8.320 8.013 0.307 18812 2344 1 5 . 1 1 52 52 LYS N N 52 117.200 117.200 116.632 0.568 18812 2345 1 5 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.578 -0.458 18812 2346 1 5 . 1 1 52 52 LYS C C 52 180.200 180.200 179.464 0.736 18812 2347 1 5 . 1 1 52 52 LYS CA C 52 59.200 59.200 57.775 1.425 18812 2348 1 5 . 1 1 52 52 LYS CB C 52 32.700 32.700 33.053 -0.353 18812 2349 1 5 . 1 1 52 52 LYS H H 52 8.170 8.170 7.964 0.206 18812 2350 1 5 . 1 1 53 53 LEU N N 53 118.600 118.600 122.332 -3.732 18812 2351 1 5 . 1 1 53 53 LEU HA H 53 3.390 3.390 3.546 -0.156 18812 2352 1 5 . 1 1 53 53 LEU C C 53 176.300 176.300 178.301 -2.001 18812 2353 1 5 . 1 1 53 53 LEU CA C 53 56.300 56.300 57.406 -1.106 18812 2354 1 5 . 1 1 53 53 LEU CB C 53 44.300 44.300 41.040 3.260 18812 2355 1 5 . 1 1 53 53 LEU H H 53 8.170 8.170 8.472 -0.302 18812 2356 1 5 . 1 1 54 54 THR N N 54 103.000 103.000 112.117 -9.117 18812 2357 1 5 . 1 1 54 54 THR HA H 54 3.490 3.490 4.729 -1.239 18812 2358 1 5 . 1 1 54 54 THR C C 54 173.600 173.600 174.239 -0.639 18812 2359 1 5 . 1 1 54 54 THR CA C 54 60.800 60.800 62.561 -1.761 18812 2360 1 5 . 1 1 54 54 THR CB C 54 69.700 69.700 69.184 0.515 18812 2361 1 5 . 1 1 54 54 THR H H 54 6.990 6.990 7.916 -0.926 18812 2362 1 5 . 1 1 55 55 ASP N N 55 126.400 126.400 123.632 2.768 18812 2363 1 5 . 1 1 55 55 ASP HA H 55 4.630 4.630 4.986 -0.356 18812 2364 1 5 . 1 1 55 55 ASP CA C 55 52.600 52.600 51.550 1.050 18812 2365 1 5 . 1 1 55 55 ASP CB C 55 42.200 42.200 41.562 0.638 18812 2366 1 5 . 1 1 55 55 ASP H H 55 6.900 6.900 7.719 -0.819 18812 2367 1 5 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.207 0.133 18812 2368 1 5 . 1 1 56 56 PRO C C 56 178.500 178.500 178.671 -0.171 18812 2369 1 5 . 1 1 56 56 PRO CA C 56 65.100 65.100 65.066 0.034 18812 2370 1 5 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.135 -0.035 18812 2371 1 5 . 1 1 57 57 GLU N N 57 115.700 115.700 118.272 -2.572 18812 2372 1 5 . 1 1 57 57 GLU C C 57 176.300 176.300 178.568 -2.268 18812 2373 1 5 . 1 1 57 57 GLU CA C 57 59.600 59.600 59.050 0.550 18812 2374 1 5 . 1 1 57 57 GLU CB C 57 29.400 29.400 29.523 -0.123 18812 2375 1 5 . 1 1 57 57 GLU H H 57 8.640 8.640 8.777 -0.137 18812 2376 1 5 . 1 1 58 58 SER N N 58 115.000 115.000 116.222 -1.222 18812 2377 1 5 . 1 1 58 58 SER HA H 58 4.260 4.260 4.232 0.028 18812 2378 1 5 . 1 1 58 58 SER C C 58 177.400 177.400 176.862 0.538 18812 2379 1 5 . 1 1 58 58 SER CA C 58 62.900 62.900 61.575 1.325 18812 2380 1 5 . 1 1 58 58 SER CB C 58 69.300 69.300 63.377 5.923 18812 2381 1 5 . 1 1 58 58 SER H H 58 8.180 8.180 7.934 0.246 18812 2382 1 5 . 1 1 60 60 ALA N N 60 123.000 123.000 122.568 0.432 18812 2383 1 5 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.078 0.552 18812 2384 1 5 . 1 1 60 60 ALA C C 60 180.600 180.600 178.785 1.815 18812 2385 1 5 . 1 1 60 60 ALA CA C 60 53.600 53.600 55.014 -1.414 18812 2386 1 5 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.346 0.854 18812 2387 1 5 . 1 1 60 60 ALA H H 60 8.020 8.020 7.856 0.164 18812 2388 1 5 . 1 1 61 61 GLN N N 61 114.000 114.000 117.176 -3.176 18812 2389 1 5 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.233 -0.213 18812 2390 1 5 . 1 1 61 61 GLN C C 61 176.900 176.900 177.783 -0.883 18812 2391 1 5 . 1 1 61 61 GLN CA C 61 54.900 54.900 57.322 -2.422 18812 2392 1 5 . 1 1 61 61 GLN CB C 61 28.500 28.500 29.200 -0.700 18812 2393 1 5 . 1 1 61 61 GLN H H 61 7.500 7.500 7.574 -0.074 18812 2394 1 5 . 1 1 62 62 ILE N N 62 123.900 123.900 120.854 3.046 18812 2395 1 5 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.787 -0.007 18812 2396 1 5 . 1 1 62 62 ILE C C 62 176.800 176.800 177.614 -0.814 18812 2397 1 5 . 1 1 62 62 ILE CA C 62 65.900 65.900 64.193 1.707 18812 2398 1 5 . 1 1 62 62 ILE CB C 62 37.700 37.700 38.548 -0.848 18812 2399 1 5 . 1 1 62 62 ILE H H 62 7.240 7.240 7.744 -0.504 18812 2400 1 5 . 1 1 63 63 ASP N N 63 114.100 114.100 117.714 -3.614 18812 2401 1 5 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.725 0.085 18812 2402 1 5 . 1 1 63 63 ASP C C 63 177.500 177.500 177.289 0.211 18812 2403 1 5 . 1 1 63 63 ASP CA C 63 51.700 51.700 53.923 -2.223 18812 2404 1 5 . 1 1 63 63 ASP CB C 63 40.300 40.300 42.380 -2.080 18812 2405 1 5 . 1 1 63 63 ASP H H 63 7.860 7.860 7.994 -0.134 18812 2406 1 5 . 1 1 64 64 GLY N N 64 104.800 104.800 106.660 -1.860 18812 2407 1 5 . 1 1 64 64 GLY C C 64 173.400 173.400 173.934 -0.534 18812 2408 1 5 . 1 1 64 64 GLY CA C 64 45.900 45.900 45.969 -0.069 18812 2409 1 5 . 1 1 64 64 GLY H H 64 7.860 7.860 8.071 -0.211 18812 2410 1 5 . 1 1 65 65 VAL N N 65 117.700 117.700 117.886 -0.186 18812 2411 1 5 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.320 0.180 18812 2412 1 5 . 1 1 65 65 VAL C C 65 173.300 173.300 174.564 -1.264 18812 2413 1 5 . 1 1 65 65 VAL CA C 65 60.100 60.100 61.325 -1.226 18812 2414 1 5 . 1 1 65 65 VAL CB C 65 36.100 36.100 35.919 0.180 18812 2415 1 5 . 1 1 65 65 VAL H H 65 7.550 7.550 7.298 0.252 18812 2416 1 5 . 1 1 66 66 VAL N N 66 129.500 129.500 126.123 3.377 18812 2417 1 5 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.534 0.196 18812 2418 1 5 . 1 1 66 66 VAL C C 66 174.300 174.300 174.567 -0.267 18812 2419 1 5 . 1 1 66 66 VAL CA C 66 61.500 61.500 61.253 0.247 18812 2420 1 5 . 1 1 66 66 VAL CB C 66 31.800 31.800 31.453 0.347 18812 2421 1 5 . 1 1 66 66 VAL H H 66 8.540 8.540 8.524 0.016 18812 2422 1 5 . 1 1 67 67 SER N N 67 123.500 123.500 123.506 -0.006 18812 2423 1 5 . 1 1 67 67 SER HA H 67 5.510 5.510 4.812 0.698 18812 2424 1 5 . 1 1 67 67 SER CA C 67 55.700 55.700 57.103 -1.403 18812 2425 1 5 . 1 1 67 67 SER CB C 67 66.100 66.100 65.717 0.383 18812 2426 1 5 . 1 1 67 67 SER H H 67 9.370 9.370 8.117 1.253 18812 2427 1 5 . 1 1 68 68 LYS C C 68 177.100 177.100 177.426 -0.326 18812 2428 1 5 . 1 1 69 69 ASP N N 69 114.800 114.800 116.059 -1.259 18812 2429 1 5 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.425 0.025 18812 2430 1 5 . 1 1 69 69 ASP C C 69 178.800 178.800 177.766 1.034 18812 2431 1 5 . 1 1 69 69 ASP CA C 69 56.900 56.900 56.352 0.548 18812 2432 1 5 . 1 1 69 69 ASP CB C 69 40.400 40.400 39.740 0.660 18812 2433 1 5 . 1 1 69 69 ASP H H 69 8.420 8.420 8.528 -0.108 18812 2434 1 5 . 1 1 70 70 GLU N N 70 120.300 120.300 119.746 0.554 18812 2435 1 5 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.112 0.038 18812 2436 1 5 . 1 1 70 70 GLU C C 70 178.000 178.000 178.729 -0.729 18812 2437 1 5 . 1 1 70 70 GLU CA C 70 59.200 59.200 59.158 0.042 18812 2438 1 5 . 1 1 70 70 GLU CB C 70 28.600 28.600 29.183 -0.583 18812 2439 1 5 . 1 1 70 70 GLU H H 70 7.600 7.600 8.413 -0.813 18812 2440 1 5 . 1 1 71 71 ILE N N 71 119.100 119.100 120.999 -1.899 18812 2441 1 5 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.479 -0.049 18812 2442 1 5 . 1 1 71 71 ILE C C 71 177.300 177.300 178.029 -0.729 18812 2443 1 5 . 1 1 71 71 ILE CA C 71 67.300 67.300 65.496 1.804 18812 2444 1 5 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.732 0.068 18812 2445 1 5 . 1 1 71 71 ILE H H 71 8.050 8.050 7.336 0.714 18812 2446 1 5 . 1 1 72 72 GLU N N 72 116.200 116.200 119.266 -3.066 18812 2447 1 5 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.909 -0.259 18812 2448 1 5 . 1 1 72 72 GLU C C 72 178.000 178.000 179.105 -1.105 18812 2449 1 5 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.777 1.223 18812 2450 1 5 . 1 1 72 72 GLU CB C 72 30.200 30.200 29.154 1.046 18812 2451 1 5 . 1 1 72 72 GLU H H 72 8.460 8.460 7.994 0.466 18812 2452 1 5 . 1 1 73 73 LYS N N 73 118.600 118.600 119.314 -0.714 18812 2453 1 5 . 1 1 73 73 LYS C C 73 179.000 179.000 179.032 -0.032 18812 2454 1 5 . 1 1 73 73 LYS CA C 73 59.400 59.400 59.296 0.104 18812 2455 1 5 . 1 1 73 73 LYS CB C 73 32.600 32.600 32.428 0.172 18812 2456 1 5 . 1 1 73 73 LYS H H 73 8.020 8.020 7.477 0.543 18812 2457 1 5 . 1 1 74 74 PHE N N 74 118.500 118.500 119.970 -1.470 18812 2458 1 5 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.194 0.126 18812 2459 1 5 . 1 1 74 74 PHE C C 74 179.400 179.400 177.884 1.516 18812 2460 1 5 . 1 1 74 74 PHE CA C 74 61.300 61.300 61.899 -0.599 18812 2461 1 5 . 1 1 74 74 PHE CB C 74 38.300 38.300 38.917 -0.617 18812 2462 1 5 . 1 1 74 74 PHE H H 74 8.870 8.870 8.559 0.311 18812 2463 1 5 . 1 1 75 75 ILE N N 75 119.000 119.000 119.090 -0.090 18812 2464 1 5 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.585 0.185 18812 2465 1 5 . 1 1 75 75 ILE C C 75 177.900 177.900 178.315 -0.415 18812 2466 1 5 . 1 1 75 75 ILE CA C 75 66.800 66.800 65.275 1.525 18812 2467 1 5 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.678 0.821 18812 2468 1 5 . 1 1 75 75 ILE H H 75 8.570 8.570 8.308 0.262 18812 2469 1 5 . 1 1 76 76 ALA N N 76 122.200 122.200 121.584 0.616 18812 2470 1 5 . 1 1 76 76 ALA HA H 76 4.570 4.570 3.932 0.638 18812 2471 1 5 . 1 1 76 76 ALA C C 76 181.000 181.000 179.210 1.790 18812 2472 1 5 . 1 1 76 76 ALA CA C 76 54.600 54.600 54.762 -0.162 18812 2473 1 5 . 1 1 76 76 ALA CB C 76 18.400 18.400 17.943 0.457 18812 2474 1 5 . 1 1 76 76 ALA H H 76 8.230 8.230 8.182 0.048 18812 2475 1 5 . 1 1 77 77 ASP N N 77 117.200 117.200 118.712 -1.512 18812 2476 1 5 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.404 0.036 18812 2477 1 5 . 1 1 77 77 ASP C C 77 177.200 177.200 177.617 -0.417 18812 2478 1 5 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.437 0.263 18812 2479 1 5 . 1 1 77 77 ASP CB C 77 41.100 41.100 41.151 -0.051 18812 2480 1 5 . 1 1 77 77 ASP H H 77 7.900 7.900 7.764 0.136 18812 2481 1 5 . 1 1 78 78 VAL N N 78 118.100 118.100 118.888 -0.788 18812 2482 1 5 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.149 -0.179 18812 2483 1 5 . 1 1 78 78 VAL C C 78 177.800 177.800 174.812 2.988 18812 2484 1 5 . 1 1 78 78 VAL CA C 78 64.800 64.800 62.149 2.651 18812 2485 1 5 . 1 1 78 78 VAL CB C 78 32.700 32.700 30.414 2.286 18812 2486 1 5 . 1 1 78 78 VAL H H 78 7.730 7.730 7.618 0.112 18812 2487 1 5 . 1 1 79 79 THR N N 79 109.800 109.800 110.752 -0.952 18812 2488 1 5 . 1 1 79 79 THR HA H 79 4.100 4.100 3.973 0.127 18812 2489 1 5 . 1 1 79 79 THR C C 79 175.700 175.700 175.058 0.642 18812 2490 1 5 . 1 1 79 79 THR CA C 79 69.400 69.400 64.055 5.345 18812 2491 1 5 . 1 1 79 79 THR CB C 79 63.100 63.100 68.006 -4.906 18812 2492 1 5 . 1 1 79 79 THR H H 79 8.830 8.830 7.464 1.366 18812 2493 1 5 . 1 1 80 80 LYS N N 80 115.700 115.700 120.896 -5.196 18812 2494 1 5 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.384 -0.374 18812 2495 1 5 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.389 -1.689 18812 2496 1 5 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.780 -4.380 18812 2497 1 5 . 1 1 80 80 LYS H H 80 8.440 8.440 7.847 0.593 18812 2498 1 5 . 1 1 81 81 ASP N N 81 119.600 119.600 117.763 1.837 18812 2499 1 5 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.245 0.605 18812 2500 1 5 . 1 1 81 81 ASP C C 81 174.400 174.400 175.176 -0.776 18812 2501 1 5 . 1 1 81 81 ASP CA C 81 51.200 51.200 57.087 -5.887 18812 2502 1 5 . 1 1 81 81 ASP CB C 81 44.400 44.400 39.751 4.649 18812 2503 1 5 . 1 1 81 81 ASP H H 81 8.140 8.140 7.926 0.214 18812 2504 1 5 . 1 1 82 82 GLU N N 82 120.500 120.500 121.027 -0.527 18812 2505 1 5 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.710 -0.260 18812 2506 1 5 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.128 1.072 18812 2507 1 5 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.742 -0.842 18812 2508 1 5 . 1 1 82 82 GLU H H 82 8.810 8.810 8.207 0.603 18812 2509 1 5 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.694 -0.044 18812 2510 1 5 . 1 1 83 83 PRO C C 83 176.900 176.900 176.367 0.533 18812 2511 1 5 . 1 1 83 83 PRO CA C 83 62.400 62.400 62.587 -0.187 18812 2512 1 5 . 1 1 83 83 PRO CB C 83 32.600 32.600 32.292 0.308 18812 2513 1 5 . 1 1 84 84 THR N N 84 115.300 115.300 117.651 -2.351 18812 2514 1 5 . 1 1 84 84 THR HA H 84 4.590 4.590 4.488 0.102 18812 2515 1 5 . 1 1 84 84 THR C C 84 175.000 175.000 176.050 -1.050 18812 2516 1 5 . 1 1 84 84 THR CA C 84 59.800 59.800 59.455 0.345 18812 2517 1 5 . 1 1 84 84 THR CB C 84 71.700 71.700 70.882 0.818 18812 2518 1 5 . 1 1 84 84 THR H H 84 9.550 9.550 8.296 1.254 18812 2519 1 5 . 1 1 85 85 ALA N N 85 124.400 124.400 124.710 -0.310 18812 2520 1 5 . 1 1 85 85 ALA HA H 85 4.060 4.060 4.057 0.003 18812 2521 1 5 . 1 1 85 85 ALA C C 85 180.900 180.900 179.435 1.465 18812 2522 1 5 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.308 -0.008 18812 2523 1 5 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.544 -0.544 18812 2524 1 5 . 1 1 85 85 ALA H H 85 8.970 8.970 8.852 0.118 18812 2525 1 5 . 1 1 86 86 GLN N N 86 116.500 116.500 118.156 -1.656 18812 2526 1 5 . 1 1 86 86 GLN HA H 86 4.120 4.120 4.002 0.118 18812 2527 1 5 . 1 1 86 86 GLN CA C 86 58.900 58.900 58.801 0.099 18812 2528 1 5 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.199 -0.099 18812 2529 1 5 . 1 1 86 86 GLN H H 86 8.680 8.680 7.987 0.693 18812 2530 1 5 . 1 1 87 87 ASP N N 87 122.300 122.300 120.273 2.027 18812 2531 1 5 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.392 0.208 18812 2532 1 5 . 1 1 87 87 ASP C C 87 178.200 178.200 178.588 -0.388 18812 2533 1 5 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.562 0.238 18812 2534 1 5 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.525 -0.825 18812 2535 1 5 . 1 1 87 87 ASP H H 87 7.820 7.820 7.676 0.144 18812 2536 1 5 . 1 1 88 88 ILE N N 88 120.900 120.900 119.817 1.083 18812 2537 1 5 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.700 -0.220 18812 2538 1 5 . 1 1 88 88 ILE C C 88 177.800 177.800 178.179 -0.379 18812 2539 1 5 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.510 1.290 18812 2540 1 5 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.739 0.561 18812 2541 1 5 . 1 1 88 88 ILE H H 88 8.160 8.160 8.154 0.006 18812 2542 1 5 . 1 1 89 89 SER N N 89 113.200 113.200 115.593 -2.393 18812 2543 1 5 . 1 1 89 89 SER HA H 89 4.240 4.240 4.058 0.182 18812 2544 1 5 . 1 1 89 89 SER C C 89 177.200 177.200 176.775 0.425 18812 2545 1 5 . 1 1 89 89 SER CA C 89 61.700 61.700 61.790 -0.090 18812 2546 1 5 . 1 1 89 89 SER CB C 89 62.700 62.700 62.868 -0.168 18812 2547 1 5 . 1 1 89 89 SER H H 89 7.970 7.970 8.241 -0.271 18812 2548 1 5 . 1 1 90 90 ARG N N 90 123.100 123.100 121.848 1.252 18812 2549 1 5 . 1 1 90 90 ARG HA H 90 4.110 4.110 3.954 0.156 18812 2550 1 5 . 1 1 90 90 ARG CA C 90 59.900 59.900 59.511 0.389 18812 2551 1 5 . 1 1 90 90 ARG CB C 90 31.700 31.700 30.195 1.505 18812 2552 1 5 . 1 1 90 90 ARG H H 90 8.450 8.450 8.005 0.445 18812 2553 1 5 . 1 1 91 91 VAL N N 91 119.200 119.200 119.441 -0.241 18812 2554 1 5 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.662 -0.232 18812 2555 1 5 . 1 1 91 91 VAL C C 91 177.300 177.300 177.899 -0.599 18812 2556 1 5 . 1 1 91 91 VAL CA C 91 66.800 66.800 66.150 0.651 18812 2557 1 5 . 1 1 91 91 VAL CB C 91 31.700 31.700 30.969 0.731 18812 2558 1 5 . 1 1 91 91 VAL H H 91 8.140 8.140 8.253 -0.113 18812 2559 1 5 . 1 1 92 92 ALA N N 92 121.100 121.100 121.581 -0.481 18812 2560 1 5 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.894 0.066 18812 2561 1 5 . 1 1 92 92 ALA C C 92 179.200 179.200 180.041 -0.841 18812 2562 1 5 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.321 0.579 18812 2563 1 5 . 1 1 92 92 ALA CB C 92 18.400 18.400 18.026 0.374 18812 2564 1 5 . 1 1 92 92 ALA H H 92 9.020 9.020 8.404 0.616 18812 2565 1 5 . 1 1 93 93 SER N N 93 112.100 112.100 114.231 -2.131 18812 2566 1 5 . 1 1 93 93 SER HA H 93 4.240 4.240 4.135 0.105 18812 2567 1 5 . 1 1 93 93 SER C C 93 177.300 177.300 176.571 0.729 18812 2568 1 5 . 1 1 93 93 SER CA C 93 62.000 62.000 61.833 0.168 18812 2569 1 5 . 1 1 93 93 SER CB C 93 62.700 62.700 62.755 -0.056 18812 2570 1 5 . 1 1 93 93 SER H H 93 8.730 8.730 8.135 0.595 18812 2571 1 5 . 1 1 94 94 ARG N N 94 122.500 122.500 121.721 0.779 18812 2572 1 5 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.154 0.106 18812 2573 1 5 . 1 1 94 94 ARG C C 94 179.900 179.900 178.830 1.070 18812 2574 1 5 . 1 1 94 94 ARG CA C 94 57.800 57.800 57.469 0.331 18812 2575 1 5 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.704 -0.504 18812 2576 1 5 . 1 1 94 94 ARG H H 94 7.520 7.520 7.922 -0.402 18812 2577 1 5 . 1 1 95 95 LEU N N 95 121.500 121.500 116.914 4.586 18812 2578 1 5 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.064 0.176 18812 2579 1 5 . 1 1 95 95 LEU C C 95 179.000 179.000 178.490 0.510 18812 2580 1 5 . 1 1 95 95 LEU CA C 95 58.100 58.100 57.767 0.333 18812 2581 1 5 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.378 1.422 18812 2582 1 5 . 1 1 95 95 LEU H H 95 8.350 8.350 8.081 0.269 18812 2583 1 5 . 1 1 96 96 ALA N N 96 121.900 121.900 121.411 0.489 18812 2584 1 5 . 1 1 96 96 ALA HA H 96 4.320 4.320 3.857 0.463 18812 2585 1 5 . 1 1 96 96 ALA C C 96 182.200 182.200 179.199 3.001 18812 2586 1 5 . 1 1 96 96 ALA CA C 96 55.100 55.100 55.028 0.072 18812 2587 1 5 . 1 1 96 96 ALA CB C 96 18.000 18.000 17.798 0.202 18812 2588 1 5 . 1 1 96 96 ALA H H 96 8.740 8.740 8.152 0.588 18812 2589 1 5 . 1 1 97 97 ALA N N 97 121.400 121.400 119.085 2.315 18812 2590 1 5 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.291 -0.061 18812 2591 1 5 . 1 1 97 97 ALA C C 97 179.200 179.200 179.041 0.159 18812 2592 1 5 . 1 1 97 97 ALA CA C 97 54.600 54.600 53.213 1.387 18812 2593 1 5 . 1 1 97 97 ALA CB C 97 18.000 18.000 18.789 -0.789 18812 2594 1 5 . 1 1 97 97 ALA H H 97 8.190 8.190 7.522 0.668 18812 2595 1 5 . 1 1 98 98 GLY N N 98 103.500 103.500 106.315 -2.815 18812 2596 1 5 . 1 1 98 98 GLY C C 98 173.700 173.700 175.144 -1.444 18812 2597 1 5 . 1 1 98 98 GLY CA C 98 44.800 44.800 45.931 -1.131 18812 2598 1 5 . 1 1 98 98 GLY H H 98 7.710 7.710 7.683 0.027 18812 2599 1 5 . 1 1 99 99 GLY N N 99 107.600 107.600 107.179 0.421 18812 2600 1 5 . 1 1 99 99 GLY CA C 99 45.200 45.200 45.183 0.017 18812 2601 1 5 . 1 1 99 99 GLY H H 99 7.710 7.710 7.877 -0.167 18812 2602 1 5 . 1 1 100 100 TRP N N 100 123.600 123.600 122.054 1.546 18812 2603 1 5 . 1 1 100 100 TRP CB C 100 52.300 52.300 28.597 23.703 18812 2604 1 5 . 1 1 100 100 TRP H H 100 7.820 7.820 8.134 -0.314 18812 2605 1 5 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.612 -0.682 18812 2606 1 5 . 1 1 101 101 PRO C C 101 175.600 175.600 175.573 0.027 18812 2607 1 5 . 1 1 101 101 PRO CA C 101 62.600 62.600 62.409 0.191 18812 2608 1 5 . 1 1 101 101 PRO CB C 101 34.200 34.200 32.796 1.404 18812 2609 1 5 . 1 1 102 102 LEU N N 102 122.800 122.800 121.762 1.038 18812 2610 1 5 . 1 1 102 102 LEU H H 102 8.470 8.470 8.178 0.292 18812 2611 1 5 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.171 0.489 18812 2612 1 5 . 1 1 103 103 ALA C C 103 177.100 177.100 177.673 -0.573 18812 2613 1 5 . 1 1 103 103 ALA CA C 103 51.500 51.500 52.770 -1.270 18812 2614 1 5 . 1 1 103 103 ALA CB C 103 21.700 21.700 19.671 2.029 18812 2615 1 5 . 1 1 104 104 GLY N N 104 108.500 108.500 109.269 -0.769 18812 2616 1 5 . 1 1 104 104 GLY C C 104 173.900 173.900 173.994 -0.094 18812 2617 1 5 . 1 1 104 104 GLY CA C 104 45.900 45.900 45.551 0.349 18812 2618 1 5 . 1 1 104 104 GLY H H 104 8.700 8.700 8.804 -0.104 18812 2619 1 5 . 1 1 105 105 VAL N N 105 116.700 116.700 120.386 -3.686 18812 2620 1 5 . 1 1 105 105 VAL HA H 105 4.220 4.220 4.326 -0.106 18812 2621 1 5 . 1 1 105 105 VAL C C 105 174.700 174.700 175.132 -0.432 18812 2622 1 5 . 1 1 105 105 VAL CA C 105 61.000 61.000 60.927 0.073 18812 2623 1 5 . 1 1 105 105 VAL CB C 105 33.100 33.100 32.483 0.617 18812 2624 1 5 . 1 1 105 105 VAL H H 105 7.660 7.660 7.891 -0.231 18812 2625 1 5 . 1 1 106 106 ASP N N 106 125.100 125.100 119.480 5.620 18812 2626 1 5 . 1 1 106 106 ASP HA H 106 4.670 4.670 5.010 -0.340 18812 2627 1 5 . 1 1 106 106 ASP C C 106 176.500 176.500 176.228 0.272 18812 2628 1 5 . 1 1 106 106 ASP CA C 106 54.000 54.000 53.639 0.361 18812 2629 1 5 . 1 1 106 106 ASP CB C 106 41.300 41.300 43.798 -2.498 18812 2630 1 5 . 1 1 106 106 ASP H H 106 8.600 8.600 8.331 0.269 18812 2631 1 5 . 1 1 107 107 SER N N 107 117.400 117.400 117.529 -0.129 18812 2632 1 5 . 1 1 107 107 SER HA H 107 4.320 4.320 4.272 0.048 18812 2633 1 5 . 1 1 107 107 SER C C 107 175.400 175.400 176.351 -0.951 18812 2634 1 5 . 1 1 107 107 SER CA C 107 59.500 59.500 60.624 -1.124 18812 2635 1 5 . 1 1 107 107 SER CB C 107 63.200 63.200 63.188 0.012 18812 2636 1 5 . 1 1 107 107 SER H H 107 8.560 8.560 8.586 -0.026 18812 2637 1 5 . 1 1 108 108 THR N N 108 115.100 115.100 117.856 -2.756 18812 2638 1 5 . 1 1 108 108 THR HA H 108 4.260 4.260 4.129 0.131 18812 2639 1 5 . 1 1 108 108 THR C C 108 174.800 174.800 176.125 -1.325 18812 2640 1 5 . 1 1 108 108 THR CA C 108 63.000 63.000 64.762 -1.762 18812 2641 1 5 . 1 1 108 108 THR CB C 108 69.300 69.300 68.608 0.692 18812 2642 1 5 . 1 1 108 108 THR H H 108 8.230 8.230 8.242 -0.012 18812 2643 1 5 . 1 1 109 109 ALA N N 109 125.000 125.000 120.483 4.517 18812 2644 1 5 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.316 0.044 18812 2645 1 5 . 1 1 109 109 ALA C C 109 177.500 177.500 177.477 0.023 18812 2646 1 5 . 1 1 109 109 ALA CA C 109 52.500 52.500 53.486 -0.986 18812 2647 1 5 . 1 1 109 109 ALA CB C 109 19.100 19.100 18.490 0.610 18812 2648 1 5 . 1 1 109 109 ALA H H 109 8.020 8.020 8.336 -0.316 18812 2649 1 5 . 1 1 110 110 LEU N N 110 119.400 119.400 116.946 2.454 18812 2650 1 5 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.508 -0.158 18812 2651 1 5 . 1 1 110 110 LEU C C 110 176.800 176.800 175.114 1.686 18812 2652 1 5 . 1 1 110 110 LEU CA C 110 55.000 55.000 54.182 0.818 18812 2653 1 5 . 1 1 110 110 LEU CB C 110 42.000 42.000 42.673 -0.673 18812 2654 1 5 . 1 1 110 110 LEU H H 110 7.880 7.880 7.574 0.306 18812 2655 1 5 . 1 1 111 111 ASN N N 111 118.700 118.700 118.429 0.271 18812 2656 1 5 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.766 -0.036 18812 2657 1 5 . 1 1 111 111 ASN C C 111 173.600 173.600 174.165 -0.565 18812 2658 1 5 . 1 1 111 111 ASN CA C 111 52.900 52.900 52.102 0.798 18812 2659 1 5 . 1 1 111 111 ASN CB C 111 39.000 39.000 39.736 -0.736 18812 2660 1 5 . 1 1 111 111 ASN H H 111 8.230 8.230 7.455 0.775 18812 2661 1 6 . 1 1 10 10 GLY C C 10 174.100 174.100 173.679 0.421 18812 2662 1 6 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.965 0.335 18812 2663 1 6 . 1 1 10 10 GLY H H 10 8.500 8.500 7.803 0.697 18812 2664 1 6 . 1 1 11 11 THR N N 11 113.700 113.700 114.675 -0.975 18812 2665 1 6 . 1 1 11 11 THR HA H 11 4.350 4.350 4.374 -0.024 18812 2666 1 6 . 1 1 11 11 THR C C 11 174.700 174.700 175.116 -0.416 18812 2667 1 6 . 1 1 11 11 THR CA C 11 62.000 62.000 61.825 0.174 18812 2668 1 6 . 1 1 11 11 THR CB C 11 69.800 69.800 69.253 0.547 18812 2669 1 6 . 1 1 11 11 THR H H 11 8.100 8.100 7.917 0.183 18812 2670 1 6 . 1 1 12 12 LEU N N 12 124.100 124.100 125.194 -1.094 18812 2671 1 6 . 1 1 12 12 LEU C C 12 177.600 177.600 175.964 1.636 18812 2672 1 6 . 1 1 12 12 LEU CA C 12 55.400 55.400 55.022 0.378 18812 2673 1 6 . 1 1 12 12 LEU CB C 12 42.000 42.000 41.450 0.550 18812 2674 1 6 . 1 1 12 12 LEU H H 12 8.380 8.380 7.720 0.660 18812 2675 1 6 . 1 1 13 13 GLU N N 13 121.500 121.500 126.580 -5.080 18812 2676 1 6 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.494 -0.274 18812 2677 1 6 . 1 1 13 13 GLU C C 13 176.300 176.300 175.520 0.780 18812 2678 1 6 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.818 0.082 18812 2679 1 6 . 1 1 13 13 GLU CB C 13 29.600 29.600 30.292 -0.692 18812 2680 1 6 . 1 1 13 13 GLU H H 13 8.440 8.440 8.490 -0.050 18812 2681 1 6 . 1 1 14 14 ALA N N 14 124.300 124.300 124.637 -0.337 18812 2682 1 6 . 1 1 14 14 ALA CA C 14 52.600 52.600 52.129 0.471 18812 2683 1 6 . 1 1 14 14 ALA CB C 14 19.000 19.000 19.625 -0.625 18812 2684 1 6 . 1 1 14 14 ALA H H 14 8.280 8.280 8.158 0.122 18812 2685 1 6 . 1 1 15 15 GLN N N 15 118.700 118.700 121.619 -2.919 18812 2686 1 6 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.323 0.077 18812 2687 1 6 . 1 1 15 15 GLN C C 15 176.300 176.300 175.561 0.739 18812 2688 1 6 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.390 0.410 18812 2689 1 6 . 1 1 15 15 GLN CB C 15 29.300 29.300 27.821 1.479 18812 2690 1 6 . 1 1 15 15 GLN H H 15 8.360 8.360 8.100 0.260 18812 2691 1 6 . 1 1 16 16 THR N N 16 114.800 114.800 117.037 -2.237 18812 2692 1 6 . 1 1 16 16 THR C C 16 174.400 174.400 174.984 -0.584 18812 2693 1 6 . 1 1 16 16 THR CA C 16 62.000 62.000 61.788 0.212 18812 2694 1 6 . 1 1 16 16 THR CB C 16 69.700 69.700 69.566 0.134 18812 2695 1 6 . 1 1 16 16 THR H H 16 8.200 8.200 8.461 -0.261 18812 2696 1 6 . 1 1 17 17 GLN N N 17 122.200 122.200 125.830 -3.630 18812 2697 1 6 . 1 1 17 17 GLN C C 17 175.900 175.900 175.556 0.344 18812 2698 1 6 . 1 1 17 17 GLN CA C 17 55.500 55.500 57.170 -1.670 18812 2699 1 6 . 1 1 17 17 GLN CB C 17 29.600 29.600 29.288 0.312 18812 2700 1 6 . 1 1 17 17 GLN H H 17 8.430 8.430 8.772 -0.342 18812 2701 1 6 . 1 1 18 18 GLY N N 18 110.100 110.100 104.430 5.670 18812 2702 1 6 . 1 1 18 18 GLY CA C 18 44.500 44.500 44.106 0.394 18812 2703 1 6 . 1 1 18 18 GLY H H 18 8.360 8.360 7.684 0.676 18812 2704 1 6 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.400 0.060 18812 2705 1 6 . 1 1 19 19 PRO C C 19 177.700 177.700 177.436 0.264 18812 2706 1 6 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.371 0.229 18812 2707 1 6 . 1 1 19 19 PRO CB C 19 31.900 31.900 31.114 0.786 18812 2708 1 6 . 1 1 20 20 GLY N N 20 109.600 109.600 114.127 -4.527 18812 2709 1 6 . 1 1 20 20 GLY C C 20 174.100 174.100 174.079 0.021 18812 2710 1 6 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.541 -0.341 18812 2711 1 6 . 1 1 20 20 GLY H H 20 8.630 8.630 8.625 0.005 18812 2712 1 6 . 1 1 21 21 SER N N 21 115.300 115.300 118.418 -3.118 18812 2713 1 6 . 1 1 21 21 SER HA H 21 4.460 4.460 4.755 -0.295 18812 2714 1 6 . 1 1 21 21 SER C C 21 174.100 174.100 172.088 2.012 18812 2715 1 6 . 1 1 21 21 SER CA C 21 58.300 58.300 57.222 1.078 18812 2716 1 6 . 1 1 21 21 SER CB C 21 63.900 63.900 64.498 -0.598 18812 2717 1 6 . 1 1 21 21 SER H H 21 8.150 8.150 8.193 -0.043 18812 2718 1 6 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.667 -0.227 18812 2719 1 6 . 1 1 22 22 PRO C C 22 176.800 176.800 175.804 0.996 18812 2720 1 6 . 1 1 22 22 PRO CA C 22 63.100 63.100 62.832 0.268 18812 2721 1 6 . 1 1 22 22 PRO CB C 22 32.100 32.100 31.473 0.627 18812 2722 1 6 . 1 1 23 23 GLU N N 23 120.900 120.900 123.285 -2.385 18812 2723 1 6 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.436 -0.156 18812 2724 1 6 . 1 1 23 23 GLU C C 23 177.000 177.000 177.491 -0.491 18812 2725 1 6 . 1 1 23 23 GLU CA C 23 56.600 56.600 55.300 1.300 18812 2726 1 6 . 1 1 23 23 GLU CB C 23 30.400 30.400 30.349 0.050 18812 2727 1 6 . 1 1 23 23 GLU H H 23 8.630 8.630 8.010 0.620 18812 2728 1 6 . 1 1 24 24 GLY N N 24 109.800 109.800 108.266 1.534 18812 2729 1 6 . 1 1 24 24 GLY C C 24 173.600 173.600 173.973 -0.373 18812 2730 1 6 . 1 1 24 24 GLY CA C 24 45.100 45.100 45.904 -0.805 18812 2731 1 6 . 1 1 24 24 GLY H H 24 8.450 8.450 8.707 -0.257 18812 2732 1 6 . 1 1 25 25 VAL N N 25 120.600 120.600 117.729 2.871 18812 2733 1 6 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.558 -0.098 18812 2734 1 6 . 1 1 25 25 VAL CA C 25 59.700 59.700 58.600 1.100 18812 2735 1 6 . 1 1 25 25 VAL CB C 25 32.600 32.600 33.097 -0.497 18812 2736 1 6 . 1 1 25 25 VAL H H 25 7.990 7.990 7.504 0.486 18812 2737 1 6 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.404 0.116 18812 2738 1 6 . 1 1 27 27 PRO C C 27 177.200 177.200 176.772 0.428 18812 2739 1 6 . 1 1 27 27 PRO CA C 27 63.100 63.100 62.882 0.218 18812 2740 1 6 . 1 1 27 27 PRO CB C 27 32.000 32.000 30.807 1.193 18812 2741 1 6 . 1 1 28 28 THR N N 28 113.000 113.000 115.820 -2.820 18812 2742 1 6 . 1 1 28 28 THR HA H 28 4.270 4.270 4.433 -0.163 18812 2743 1 6 . 1 1 28 28 THR C C 28 174.400 174.400 175.937 -1.537 18812 2744 1 6 . 1 1 28 28 THR CA C 28 62.000 62.000 60.541 1.459 18812 2745 1 6 . 1 1 28 28 THR CB C 28 69.700 69.700 69.872 -0.172 18812 2746 1 6 . 1 1 28 28 THR H H 28 8.160 8.160 7.844 0.316 18812 2747 1 6 . 1 1 29 29 ASP N N 29 122.100 122.100 120.277 1.823 18812 2748 1 6 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.622 -0.042 18812 2749 1 6 . 1 1 29 29 ASP CA C 29 54.300 54.300 54.748 -0.448 18812 2750 1 6 . 1 1 29 29 ASP CB C 29 40.900 40.900 39.604 1.296 18812 2751 1 6 . 1 1 29 29 ASP H H 29 8.290 8.290 8.621 -0.331 18812 2752 1 6 . 1 1 30 30 ARG N N 30 120.300 120.300 118.582 1.718 18812 2753 1 6 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.373 -0.183 18812 2754 1 6 . 1 1 30 30 ARG C C 30 175.600 175.600 174.868 0.732 18812 2755 1 6 . 1 1 30 30 ARG CA C 30 56.200 56.200 54.931 1.269 18812 2756 1 6 . 1 1 30 30 ARG CB C 30 30.800 30.800 32.617 -1.817 18812 2757 1 6 . 1 1 30 30 ARG H H 30 8.070 8.070 7.443 0.627 18812 2758 1 6 . 1 1 31 31 PHE N N 31 120.500 120.500 120.513 -0.013 18812 2759 1 6 . 1 1 31 31 PHE CB C 31 38.800 38.800 39.324 -0.524 18812 2760 1 6 . 1 1 31 31 PHE H H 31 8.240 8.240 8.232 0.008 18812 2761 1 6 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.466 -0.026 18812 2762 1 6 . 1 1 32 32 PRO C C 32 177.200 177.200 175.288 1.912 18812 2763 1 6 . 1 1 32 32 PRO CA C 32 63.400 63.400 63.190 0.210 18812 2764 1 6 . 1 1 32 32 PRO CB C 32 31.700 31.700 31.739 -0.039 18812 2765 1 6 . 1 1 33 33 LEU N N 33 121.000 121.000 115.916 5.084 18812 2766 1 6 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.682 -0.352 18812 2767 1 6 . 1 1 33 33 LEU CA C 33 55.600 55.600 54.400 1.200 18812 2768 1 6 . 1 1 33 33 LEU CB C 33 42.100 42.100 43.804 -1.704 18812 2769 1 6 . 1 1 33 33 LEU H H 33 8.290 8.290 7.459 0.831 18812 2770 1 6 . 1 1 34 34 LEU N N 34 122.100 122.100 122.268 -0.168 18812 2771 1 6 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.597 -0.287 18812 2772 1 6 . 1 1 34 34 LEU C C 34 177.300 177.300 178.693 -1.393 18812 2773 1 6 . 1 1 34 34 LEU CA C 34 55.200 55.200 55.873 -0.673 18812 2774 1 6 . 1 1 34 34 LEU CB C 34 41.900 41.900 42.166 -0.266 18812 2775 1 6 . 1 1 34 34 LEU H H 34 8.110 8.110 8.540 -0.430 18812 2776 1 6 . 1 1 35 35 ALA N N 35 123.400 123.400 123.183 0.217 18812 2777 1 6 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.410 -0.130 18812 2778 1 6 . 1 1 35 35 ALA C C 35 177.600 177.600 177.281 0.319 18812 2779 1 6 . 1 1 35 35 ALA CA C 35 52.700 52.700 52.076 0.624 18812 2780 1 6 . 1 1 35 35 ALA CB C 35 18.800 18.800 16.758 2.042 18812 2781 1 6 . 1 1 35 35 ALA H H 35 8.140 8.140 8.508 -0.368 18812 2782 1 6 . 1 1 36 36 LEU N N 36 120.000 120.000 120.639 -0.639 18812 2783 1 6 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.292 -0.032 18812 2784 1 6 . 1 1 36 36 LEU CA C 36 55.500 55.500 55.765 -0.265 18812 2785 1 6 . 1 1 36 36 LEU CB C 36 42.000 42.000 42.331 -0.331 18812 2786 1 6 . 1 1 36 36 LEU H H 36 7.990 7.990 7.884 0.106 18812 2787 1 6 . 1 1 37 37 LEU N N 37 122.700 122.700 121.077 1.623 18812 2788 1 6 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.235 0.145 18812 2789 1 6 . 1 1 37 37 LEU C C 37 177.100 177.100 176.416 0.684 18812 2790 1 6 . 1 1 37 37 LEU CA C 37 55.000 55.000 54.795 0.205 18812 2791 1 6 . 1 1 37 37 LEU CB C 37 42.100 42.100 40.005 2.095 18812 2792 1 6 . 1 1 37 37 LEU H H 37 8.190 8.190 7.821 0.369 18812 2793 1 6 . 1 1 38 38 ARG N N 38 121.600 121.600 123.306 -1.706 18812 2794 1 6 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.553 -0.083 18812 2795 1 6 . 1 1 38 38 ARG C C 38 176.200 176.200 175.216 0.984 18812 2796 1 6 . 1 1 38 38 ARG CA C 38 55.100 55.100 54.035 1.065 18812 2797 1 6 . 1 1 38 38 ARG CB C 38 31.200 31.200 28.551 2.649 18812 2798 1 6 . 1 1 38 38 ARG H H 38 8.040 8.040 8.251 -0.211 18812 2799 1 6 . 1 1 39 39 ARG N N 39 123.600 123.600 125.514 -1.914 18812 2800 1 6 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.311 0.059 18812 2801 1 6 . 1 1 39 39 ARG C C 39 175.500 175.500 175.243 0.257 18812 2802 1 6 . 1 1 39 39 ARG CA C 39 56.700 56.700 56.976 -0.276 18812 2803 1 6 . 1 1 39 39 ARG CB C 39 31.200 31.200 29.100 2.100 18812 2804 1 6 . 1 1 39 39 ARG H H 39 8.840 8.840 8.441 0.399 18812 2805 1 6 . 1 1 40 40 THR N N 40 113.900 113.900 115.064 -1.164 18812 2806 1 6 . 1 1 40 40 THR HA H 40 4.770 4.770 4.432 0.338 18812 2807 1 6 . 1 1 40 40 THR C C 40 175.300 175.300 173.231 2.069 18812 2808 1 6 . 1 1 40 40 THR CA C 40 59.500 59.500 61.678 -2.178 18812 2809 1 6 . 1 1 40 40 THR CB C 40 71.700 71.700 70.598 1.102 18812 2810 1 6 . 1 1 40 40 THR H H 40 8.150 8.150 8.272 -0.122 18812 2811 1 6 . 1 1 41 41 LEU N N 41 123.100 123.100 128.707 -5.607 18812 2812 1 6 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.522 -0.052 18812 2813 1 6 . 1 1 41 41 LEU C C 41 179.700 179.700 176.237 3.463 18812 2814 1 6 . 1 1 41 41 LEU CA C 41 54.900 54.900 54.297 0.603 18812 2815 1 6 . 1 1 41 41 LEU CB C 41 43.000 43.000 40.455 2.545 18812 2816 1 6 . 1 1 41 41 LEU H H 41 9.480 9.480 9.048 0.432 18812 2817 1 6 . 1 1 42 42 THR N N 42 115.100 115.100 117.009 -1.909 18812 2818 1 6 . 1 1 42 42 THR HA H 42 4.580 4.580 4.249 0.331 18812 2819 1 6 . 1 1 42 42 THR C C 42 175.400 175.400 175.683 -0.283 18812 2820 1 6 . 1 1 42 42 THR CA C 42 60.900 60.900 61.236 -0.336 18812 2821 1 6 . 1 1 42 42 THR CB C 42 70.600 70.600 70.938 -0.338 18812 2822 1 6 . 1 1 42 42 THR H H 42 8.790 8.790 7.915 0.875 18812 2823 1 6 . 1 1 43 43 GLU N N 43 121.400 121.400 123.589 -2.189 18812 2824 1 6 . 1 1 43 43 GLU HA H 43 4.020 4.020 3.979 0.041 18812 2825 1 6 . 1 1 43 43 GLU C C 43 179.100 179.100 178.434 0.666 18812 2826 1 6 . 1 1 43 43 GLU CA C 43 59.700 59.700 60.718 -1.018 18812 2827 1 6 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.295 -0.395 18812 2828 1 6 . 1 1 43 43 GLU H H 43 9.020 9.020 9.101 -0.081 18812 2829 1 6 . 1 1 44 44 GLU N N 44 118.300 118.300 118.769 -0.469 18812 2830 1 6 . 1 1 44 44 GLU HA H 44 4.020 4.020 3.931 0.089 18812 2831 1 6 . 1 1 44 44 GLU C C 44 179.700 179.700 178.900 0.800 18812 2832 1 6 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.376 0.825 18812 2833 1 6 . 1 1 44 44 GLU CB C 44 29.000 29.000 29.286 -0.286 18812 2834 1 6 . 1 1 44 44 GLU H H 44 8.810 8.810 8.143 0.667 18812 2835 1 6 . 1 1 45 45 GLN N N 45 119.300 119.300 118.088 1.212 18812 2836 1 6 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.159 0.061 18812 2837 1 6 . 1 1 45 45 GLN C C 45 178.500 178.500 178.717 -0.217 18812 2838 1 6 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.194 0.106 18812 2839 1 6 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.291 0.909 18812 2840 1 6 . 1 1 45 45 GLN H H 45 7.800 7.800 7.865 -0.065 18812 2841 1 6 . 1 1 46 46 VAL N N 46 121.000 121.000 121.207 -0.207 18812 2842 1 6 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.607 -0.207 18812 2843 1 6 . 1 1 46 46 VAL C C 46 177.500 177.500 178.163 -0.663 18812 2844 1 6 . 1 1 46 46 VAL CA C 46 67.600 67.600 67.021 0.579 18812 2845 1 6 . 1 1 46 46 VAL CB C 46 31.300 31.300 31.220 0.080 18812 2846 1 6 . 1 1 46 46 VAL H H 46 8.420 8.420 8.223 0.197 18812 2847 1 6 . 1 1 47 47 GLN N N 47 115.900 115.900 117.991 -2.091 18812 2848 1 6 . 1 1 47 47 GLN HA H 47 3.890 3.890 3.919 -0.029 18812 2849 1 6 . 1 1 47 47 GLN C C 47 178.500 178.500 178.250 0.250 18812 2850 1 6 . 1 1 47 47 GLN CA C 47 58.800 58.800 59.016 -0.216 18812 2851 1 6 . 1 1 47 47 GLN CB C 47 27.700 27.700 28.363 -0.663 18812 2852 1 6 . 1 1 47 47 GLN H H 47 7.470 7.470 8.447 -0.977 18812 2853 1 6 . 1 1 48 48 GLU N N 48 121.400 121.400 121.307 0.093 18812 2854 1 6 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.043 0.077 18812 2855 1 6 . 1 1 48 48 GLU C C 48 178.500 178.500 178.813 -0.313 18812 2856 1 6 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.561 -0.261 18812 2857 1 6 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.402 0.398 18812 2858 1 6 . 1 1 48 48 GLU H H 48 7.940 7.940 8.071 -0.131 18812 2859 1 6 . 1 1 49 49 VAL N N 49 120.300 120.300 119.826 0.474 18812 2860 1 6 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.639 -0.049 18812 2861 1 6 . 1 1 49 49 VAL CA C 49 67.200 67.200 66.578 0.622 18812 2862 1 6 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.919 -0.419 18812 2863 1 6 . 1 1 49 49 VAL H H 49 8.580 8.580 8.078 0.502 18812 2864 1 6 . 1 1 50 50 VAL N N 50 118.700 118.700 115.921 2.779 18812 2865 1 6 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.602 -0.382 18812 2866 1 6 . 1 1 50 50 VAL C C 50 178.600 178.600 177.475 1.125 18812 2867 1 6 . 1 1 50 50 VAL CA C 50 67.500 67.500 65.738 1.762 18812 2868 1 6 . 1 1 50 50 VAL CB C 50 31.400 31.400 30.954 0.446 18812 2869 1 6 . 1 1 50 50 VAL H H 50 8.350 8.350 8.136 0.214 18812 2870 1 6 . 1 1 51 51 ALA N N 51 123.200 123.200 124.016 -0.816 18812 2871 1 6 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.051 -0.221 18812 2872 1 6 . 1 1 51 51 ALA C C 51 180.100 180.100 179.558 0.542 18812 2873 1 6 . 1 1 51 51 ALA CA C 51 55.300 55.300 54.976 0.324 18812 2874 1 6 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.757 -1.057 18812 2875 1 6 . 1 1 51 51 ALA H H 51 8.320 8.320 8.049 0.271 18812 2876 1 6 . 1 1 52 52 LYS N N 52 117.200 117.200 119.231 -2.031 18812 2877 1 6 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.408 -0.288 18812 2878 1 6 . 1 1 52 52 LYS C C 52 180.200 180.200 179.508 0.692 18812 2879 1 6 . 1 1 52 52 LYS CA C 52 59.200 59.200 58.560 0.639 18812 2880 1 6 . 1 1 52 52 LYS CB C 52 32.700 32.700 32.356 0.344 18812 2881 1 6 . 1 1 52 52 LYS H H 52 8.170 8.170 8.042 0.128 18812 2882 1 6 . 1 1 53 53 LEU N N 53 118.600 118.600 119.118 -0.518 18812 2883 1 6 . 1 1 53 53 LEU HA H 53 3.390 3.390 3.431 -0.041 18812 2884 1 6 . 1 1 53 53 LEU C C 53 176.300 176.300 177.729 -1.429 18812 2885 1 6 . 1 1 53 53 LEU CA C 53 56.300 56.300 57.273 -0.973 18812 2886 1 6 . 1 1 53 53 LEU CB C 53 44.300 44.300 41.770 2.530 18812 2887 1 6 . 1 1 53 53 LEU H H 53 8.170 8.170 8.110 0.060 18812 2888 1 6 . 1 1 54 54 THR N N 54 103.000 103.000 106.613 -3.613 18812 2889 1 6 . 1 1 54 54 THR HA H 54 3.490 3.490 4.259 -0.769 18812 2890 1 6 . 1 1 54 54 THR C C 54 173.600 173.600 174.460 -0.860 18812 2891 1 6 . 1 1 54 54 THR CA C 54 60.800 60.800 61.770 -0.970 18812 2892 1 6 . 1 1 54 54 THR CB C 54 69.700 69.700 68.427 1.273 18812 2893 1 6 . 1 1 54 54 THR H H 54 6.990 6.990 7.320 -0.330 18812 2894 1 6 . 1 1 55 55 ASP N N 55 126.400 126.400 124.724 1.676 18812 2895 1 6 . 1 1 55 55 ASP HA H 55 4.630 4.630 4.837 -0.207 18812 2896 1 6 . 1 1 55 55 ASP CA C 55 52.600 52.600 52.506 0.094 18812 2897 1 6 . 1 1 55 55 ASP CB C 55 42.200 42.200 42.009 0.191 18812 2898 1 6 . 1 1 55 55 ASP H H 55 6.900 6.900 7.572 -0.672 18812 2899 1 6 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.189 0.151 18812 2900 1 6 . 1 1 56 56 PRO C C 56 178.500 178.500 178.616 -0.116 18812 2901 1 6 . 1 1 56 56 PRO CA C 56 65.100 65.100 65.793 -0.693 18812 2902 1 6 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.139 -0.039 18812 2903 1 6 . 1 1 57 57 GLU N N 57 115.700 115.700 117.997 -2.297 18812 2904 1 6 . 1 1 57 57 GLU C C 57 176.300 176.300 178.638 -2.338 18812 2905 1 6 . 1 1 57 57 GLU CA C 57 59.600 59.600 58.631 0.969 18812 2906 1 6 . 1 1 57 57 GLU CB C 57 29.400 29.400 29.346 0.054 18812 2907 1 6 . 1 1 57 57 GLU H H 57 8.640 8.640 8.509 0.131 18812 2908 1 6 . 1 1 58 58 SER N N 58 115.000 115.000 115.011 -0.011 18812 2909 1 6 . 1 1 58 58 SER HA H 58 4.260 4.260 4.254 0.006 18812 2910 1 6 . 1 1 58 58 SER C C 58 177.400 177.400 176.581 0.819 18812 2911 1 6 . 1 1 58 58 SER CA C 58 62.900 62.900 61.448 1.452 18812 2912 1 6 . 1 1 58 58 SER CB C 58 69.300 69.300 63.049 6.251 18812 2913 1 6 . 1 1 58 58 SER H H 58 8.180 8.180 8.369 -0.189 18812 2914 1 6 . 1 1 60 60 ALA N N 60 123.000 123.000 125.195 -2.195 18812 2915 1 6 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.129 0.501 18812 2916 1 6 . 1 1 60 60 ALA C C 60 180.600 180.600 179.259 1.341 18812 2917 1 6 . 1 1 60 60 ALA CA C 60 53.600 53.600 54.559 -0.959 18812 2918 1 6 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.160 1.040 18812 2919 1 6 . 1 1 60 60 ALA H H 60 8.020 8.020 7.873 0.147 18812 2920 1 6 . 1 1 61 61 GLN N N 61 114.000 114.000 118.301 -4.301 18812 2921 1 6 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.128 -0.108 18812 2922 1 6 . 1 1 61 61 GLN C C 61 176.900 176.900 177.716 -0.816 18812 2923 1 6 . 1 1 61 61 GLN CA C 61 54.900 54.900 57.772 -2.872 18812 2924 1 6 . 1 1 61 61 GLN CB C 61 28.500 28.500 28.436 0.064 18812 2925 1 6 . 1 1 61 61 GLN H H 61 7.500 7.500 8.062 -0.562 18812 2926 1 6 . 1 1 62 62 ILE N N 62 123.900 123.900 119.993 3.907 18812 2927 1 6 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.790 -0.010 18812 2928 1 6 . 1 1 62 62 ILE C C 62 176.800 176.800 177.543 -0.743 18812 2929 1 6 . 1 1 62 62 ILE CA C 62 65.900 65.900 63.974 1.926 18812 2930 1 6 . 1 1 62 62 ILE CB C 62 37.700 37.700 38.195 -0.495 18812 2931 1 6 . 1 1 62 62 ILE H H 62 7.240 7.240 7.732 -0.492 18812 2932 1 6 . 1 1 63 63 ASP N N 63 114.100 114.100 115.674 -1.574 18812 2933 1 6 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.750 0.060 18812 2934 1 6 . 1 1 63 63 ASP C C 63 177.500 177.500 176.893 0.607 18812 2935 1 6 . 1 1 63 63 ASP CA C 63 51.700 51.700 53.732 -2.032 18812 2936 1 6 . 1 1 63 63 ASP CB C 63 40.300 40.300 41.995 -1.695 18812 2937 1 6 . 1 1 63 63 ASP H H 63 7.860 7.860 8.298 -0.438 18812 2938 1 6 . 1 1 64 64 GLY N N 64 104.800 104.800 108.039 -3.239 18812 2939 1 6 . 1 1 64 64 GLY C C 64 173.400 173.400 173.583 -0.183 18812 2940 1 6 . 1 1 64 64 GLY CA C 64 45.900 45.900 46.035 -0.135 18812 2941 1 6 . 1 1 64 64 GLY H H 64 7.860 7.860 8.366 -0.506 18812 2942 1 6 . 1 1 65 65 VAL N N 65 117.700 117.700 113.962 3.738 18812 2943 1 6 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.576 -0.076 18812 2944 1 6 . 1 1 65 65 VAL C C 65 173.300 173.300 174.477 -1.177 18812 2945 1 6 . 1 1 65 65 VAL CA C 65 60.100 60.100 59.603 0.497 18812 2946 1 6 . 1 1 65 65 VAL CB C 65 36.100 36.100 35.115 0.985 18812 2947 1 6 . 1 1 65 65 VAL H H 65 7.550 7.550 7.405 0.145 18812 2948 1 6 . 1 1 66 66 VAL N N 66 129.500 129.500 123.779 5.721 18812 2949 1 6 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.648 0.082 18812 2950 1 6 . 1 1 66 66 VAL C C 66 174.300 174.300 174.586 -0.286 18812 2951 1 6 . 1 1 66 66 VAL CA C 66 61.500 61.500 61.471 0.028 18812 2952 1 6 . 1 1 66 66 VAL CB C 66 31.800 31.800 31.792 0.008 18812 2953 1 6 . 1 1 66 66 VAL H H 66 8.540 8.540 8.419 0.121 18812 2954 1 6 . 1 1 67 67 SER N N 67 123.500 123.500 124.411 -0.911 18812 2955 1 6 . 1 1 67 67 SER HA H 67 5.510 5.510 4.875 0.635 18812 2956 1 6 . 1 1 67 67 SER CA C 67 55.700 55.700 56.959 -1.259 18812 2957 1 6 . 1 1 67 67 SER CB C 67 66.100 66.100 66.082 0.018 18812 2958 1 6 . 1 1 67 67 SER H H 67 9.370 9.370 8.007 1.363 18812 2959 1 6 . 1 1 68 68 LYS C C 68 177.100 177.100 177.376 -0.276 18812 2960 1 6 . 1 1 69 69 ASP N N 69 114.800 114.800 117.341 -2.541 18812 2961 1 6 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.546 -0.096 18812 2962 1 6 . 1 1 69 69 ASP C C 69 178.800 178.800 177.858 0.942 18812 2963 1 6 . 1 1 69 69 ASP CA C 69 56.900 56.900 56.504 0.396 18812 2964 1 6 . 1 1 69 69 ASP CB C 69 40.400 40.400 39.898 0.503 18812 2965 1 6 . 1 1 69 69 ASP H H 69 8.420 8.420 8.552 -0.132 18812 2966 1 6 . 1 1 70 70 GLU N N 70 120.300 120.300 120.216 0.084 18812 2967 1 6 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.102 0.048 18812 2968 1 6 . 1 1 70 70 GLU C C 70 178.000 178.000 178.874 -0.874 18812 2969 1 6 . 1 1 70 70 GLU CA C 70 59.200 59.200 59.325 -0.125 18812 2970 1 6 . 1 1 70 70 GLU CB C 70 28.600 28.600 29.189 -0.589 18812 2971 1 6 . 1 1 70 70 GLU H H 70 7.600 7.600 8.598 -0.998 18812 2972 1 6 . 1 1 71 71 ILE N N 71 119.100 119.100 120.743 -1.643 18812 2973 1 6 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.717 -0.287 18812 2974 1 6 . 1 1 71 71 ILE C C 71 177.300 177.300 178.158 -0.858 18812 2975 1 6 . 1 1 71 71 ILE CA C 71 67.300 67.300 65.660 1.640 18812 2976 1 6 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.705 0.095 18812 2977 1 6 . 1 1 71 71 ILE H H 71 8.050 8.050 7.496 0.554 18812 2978 1 6 . 1 1 72 72 GLU N N 72 116.200 116.200 119.886 -3.686 18812 2979 1 6 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.900 -0.250 18812 2980 1 6 . 1 1 72 72 GLU C C 72 178.000 178.000 179.064 -1.064 18812 2981 1 6 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.657 1.343 18812 2982 1 6 . 1 1 72 72 GLU CB C 72 30.200 30.200 29.063 1.137 18812 2983 1 6 . 1 1 72 72 GLU H H 72 8.460 8.460 7.823 0.637 18812 2984 1 6 . 1 1 73 73 LYS N N 73 118.600 118.600 119.480 -0.880 18812 2985 1 6 . 1 1 73 73 LYS C C 73 179.000 179.000 179.323 -0.323 18812 2986 1 6 . 1 1 73 73 LYS CA C 73 59.400 59.400 58.809 0.591 18812 2987 1 6 . 1 1 73 73 LYS CB C 73 32.600 32.600 31.938 0.662 18812 2988 1 6 . 1 1 73 73 LYS H H 73 8.020 8.020 8.105 -0.085 18812 2989 1 6 . 1 1 74 74 PHE N N 74 118.500 118.500 118.196 0.304 18812 2990 1 6 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.288 0.032 18812 2991 1 6 . 1 1 74 74 PHE C C 74 179.400 179.400 178.225 1.175 18812 2992 1 6 . 1 1 74 74 PHE CA C 74 61.300 61.300 61.348 -0.048 18812 2993 1 6 . 1 1 74 74 PHE CB C 74 38.300 38.300 38.927 -0.627 18812 2994 1 6 . 1 1 74 74 PHE H H 74 8.870 8.870 8.176 0.694 18812 2995 1 6 . 1 1 75 75 ILE N N 75 119.000 119.000 120.456 -1.456 18812 2996 1 6 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.568 0.202 18812 2997 1 6 . 1 1 75 75 ILE C C 75 177.900 177.900 178.308 -0.408 18812 2998 1 6 . 1 1 75 75 ILE CA C 75 66.800 66.800 65.367 1.433 18812 2999 1 6 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.603 0.897 18812 3000 1 6 . 1 1 75 75 ILE H H 75 8.570 8.570 8.215 0.355 18812 3001 1 6 . 1 1 76 76 ALA N N 76 122.200 122.200 121.602 0.598 18812 3002 1 6 . 1 1 76 76 ALA HA H 76 4.570 4.570 3.986 0.584 18812 3003 1 6 . 1 1 76 76 ALA C C 76 181.000 181.000 179.234 1.766 18812 3004 1 6 . 1 1 76 76 ALA CA C 76 54.600 54.600 55.020 -0.420 18812 3005 1 6 . 1 1 76 76 ALA CB C 76 18.400 18.400 17.941 0.459 18812 3006 1 6 . 1 1 76 76 ALA H H 76 8.230 8.230 8.268 -0.038 18812 3007 1 6 . 1 1 77 77 ASP N N 77 117.200 117.200 117.909 -0.709 18812 3008 1 6 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.399 0.041 18812 3009 1 6 . 1 1 77 77 ASP C C 77 177.200 177.200 177.267 -0.067 18812 3010 1 6 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.268 0.432 18812 3011 1 6 . 1 1 77 77 ASP CB C 77 41.100 41.100 41.041 0.059 18812 3012 1 6 . 1 1 77 77 ASP H H 77 7.900 7.900 7.798 0.102 18812 3013 1 6 . 1 1 78 78 VAL N N 78 118.100 118.100 117.902 0.198 18812 3014 1 6 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.165 -0.195 18812 3015 1 6 . 1 1 78 78 VAL C C 78 177.800 177.800 175.132 2.668 18812 3016 1 6 . 1 1 78 78 VAL CA C 78 64.800 64.800 61.876 2.924 18812 3017 1 6 . 1 1 78 78 VAL CB C 78 32.700 32.700 31.047 1.653 18812 3018 1 6 . 1 1 78 78 VAL H H 78 7.730 7.730 7.590 0.140 18812 3019 1 6 . 1 1 79 79 THR N N 79 109.800 109.800 111.355 -1.555 18812 3020 1 6 . 1 1 79 79 THR HA H 79 4.100 4.100 3.943 0.157 18812 3021 1 6 . 1 1 79 79 THR C C 79 175.700 175.700 174.012 1.688 18812 3022 1 6 . 1 1 79 79 THR CA C 79 69.400 69.400 64.105 5.295 18812 3023 1 6 . 1 1 79 79 THR CB C 79 63.100 63.100 67.272 -4.172 18812 3024 1 6 . 1 1 79 79 THR H H 79 8.830 8.830 7.746 1.084 18812 3025 1 6 . 1 1 80 80 LYS N N 80 115.700 115.700 119.140 -3.440 18812 3026 1 6 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.079 -0.069 18812 3027 1 6 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.417 -1.718 18812 3028 1 6 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.927 -4.527 18812 3029 1 6 . 1 1 80 80 LYS H H 80 8.440 8.440 7.532 0.908 18812 3030 1 6 . 1 1 81 81 ASP N N 81 119.600 119.600 116.610 2.990 18812 3031 1 6 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.316 0.534 18812 3032 1 6 . 1 1 81 81 ASP C C 81 174.400 174.400 175.567 -1.167 18812 3033 1 6 . 1 1 81 81 ASP CA C 81 51.200 51.200 56.820 -5.620 18812 3034 1 6 . 1 1 81 81 ASP CB C 81 44.400 44.400 40.240 4.160 18812 3035 1 6 . 1 1 81 81 ASP H H 81 8.140 8.140 8.275 -0.135 18812 3036 1 6 . 1 1 82 82 GLU N N 82 120.500 120.500 120.024 0.476 18812 3037 1 6 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.771 -0.321 18812 3038 1 6 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.127 1.073 18812 3039 1 6 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.107 -0.207 18812 3040 1 6 . 1 1 82 82 GLU H H 82 8.810 8.810 7.941 0.869 18812 3041 1 6 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.552 0.098 18812 3042 1 6 . 1 1 83 83 PRO C C 83 176.900 176.900 176.447 0.453 18812 3043 1 6 . 1 1 83 83 PRO CA C 83 62.400 62.400 62.163 0.237 18812 3044 1 6 . 1 1 83 83 PRO CB C 83 32.600 32.600 30.925 1.675 18812 3045 1 6 . 1 1 84 84 THR N N 84 115.300 115.300 116.378 -1.078 18812 3046 1 6 . 1 1 84 84 THR HA H 84 4.590 4.590 4.396 0.194 18812 3047 1 6 . 1 1 84 84 THR C C 84 175.000 175.000 175.740 -0.740 18812 3048 1 6 . 1 1 84 84 THR CA C 84 59.800 59.800 59.611 0.189 18812 3049 1 6 . 1 1 84 84 THR CB C 84 71.700 71.700 70.726 0.974 18812 3050 1 6 . 1 1 84 84 THR H H 84 9.550 9.550 8.504 1.046 18812 3051 1 6 . 1 1 85 85 ALA N N 85 124.400 124.400 124.250 0.150 18812 3052 1 6 . 1 1 85 85 ALA HA H 85 4.060 4.060 4.048 0.012 18812 3053 1 6 . 1 1 85 85 ALA C C 85 180.900 180.900 179.582 1.318 18812 3054 1 6 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.434 -0.134 18812 3055 1 6 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.522 -0.522 18812 3056 1 6 . 1 1 85 85 ALA H H 85 8.970 8.970 8.801 0.169 18812 3057 1 6 . 1 1 86 86 GLN N N 86 116.500 116.500 118.199 -1.699 18812 3058 1 6 . 1 1 86 86 GLN HA H 86 4.120 4.120 3.996 0.124 18812 3059 1 6 . 1 1 86 86 GLN CA C 86 58.900 58.900 59.638 -0.738 18812 3060 1 6 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.162 -0.062 18812 3061 1 6 . 1 1 86 86 GLN H H 86 8.680 8.680 8.324 0.356 18812 3062 1 6 . 1 1 87 87 ASP N N 87 122.300 122.300 120.070 2.230 18812 3063 1 6 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.369 0.231 18812 3064 1 6 . 1 1 87 87 ASP C C 87 178.200 178.200 178.923 -0.723 18812 3065 1 6 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.677 0.123 18812 3066 1 6 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.479 -0.779 18812 3067 1 6 . 1 1 87 87 ASP H H 87 7.820 7.820 7.654 0.166 18812 3068 1 6 . 1 1 88 88 ILE N N 88 120.900 120.900 120.105 0.795 18812 3069 1 6 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.653 -0.173 18812 3070 1 6 . 1 1 88 88 ILE C C 88 177.800 177.800 178.283 -0.483 18812 3071 1 6 . 1 1 88 88 ILE CA C 88 65.800 65.800 65.341 0.459 18812 3072 1 6 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.825 0.474 18812 3073 1 6 . 1 1 88 88 ILE H H 88 8.160 8.160 8.300 -0.140 18812 3074 1 6 . 1 1 89 89 SER N N 89 113.200 113.200 115.508 -2.308 18812 3075 1 6 . 1 1 89 89 SER HA H 89 4.240 4.240 4.169 0.071 18812 3076 1 6 . 1 1 89 89 SER C C 89 177.200 177.200 176.738 0.462 18812 3077 1 6 . 1 1 89 89 SER CA C 89 61.700 61.700 61.608 0.092 18812 3078 1 6 . 1 1 89 89 SER CB C 89 62.700 62.700 62.792 -0.092 18812 3079 1 6 . 1 1 89 89 SER H H 89 7.970 7.970 8.328 -0.358 18812 3080 1 6 . 1 1 90 90 ARG N N 90 123.100 123.100 121.301 1.799 18812 3081 1 6 . 1 1 90 90 ARG HA H 90 4.110 4.110 3.988 0.122 18812 3082 1 6 . 1 1 90 90 ARG CA C 90 59.900 59.900 59.542 0.358 18812 3083 1 6 . 1 1 90 90 ARG CB C 90 31.700 31.700 30.245 1.454 18812 3084 1 6 . 1 1 90 90 ARG H H 90 8.450 8.450 8.071 0.379 18812 3085 1 6 . 1 1 91 91 VAL N N 91 119.200 119.200 119.893 -0.693 18812 3086 1 6 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.614 -0.184 18812 3087 1 6 . 1 1 91 91 VAL C C 91 177.300 177.300 177.914 -0.614 18812 3088 1 6 . 1 1 91 91 VAL CA C 91 66.800 66.800 66.451 0.349 18812 3089 1 6 . 1 1 91 91 VAL CB C 91 31.700 31.700 31.569 0.131 18812 3090 1 6 . 1 1 91 91 VAL H H 91 8.140 8.140 8.308 -0.168 18812 3091 1 6 . 1 1 92 92 ALA N N 92 121.100 121.100 121.357 -0.257 18812 3092 1 6 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.955 0.005 18812 3093 1 6 . 1 1 92 92 ALA C C 92 179.200 179.200 179.812 -0.612 18812 3094 1 6 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.414 0.485 18812 3095 1 6 . 1 1 92 92 ALA CB C 92 18.400 18.400 18.046 0.354 18812 3096 1 6 . 1 1 92 92 ALA H H 92 9.020 9.020 8.556 0.464 18812 3097 1 6 . 1 1 93 93 SER N N 93 112.100 112.100 114.729 -2.629 18812 3098 1 6 . 1 1 93 93 SER HA H 93 4.240 4.240 4.200 0.040 18812 3099 1 6 . 1 1 93 93 SER C C 93 177.300 177.300 177.003 0.297 18812 3100 1 6 . 1 1 93 93 SER CA C 93 62.000 62.000 62.230 -0.230 18812 3101 1 6 . 1 1 93 93 SER CB C 93 62.700 62.700 62.885 -0.185 18812 3102 1 6 . 1 1 93 93 SER H H 93 8.730 8.730 8.127 0.603 18812 3103 1 6 . 1 1 94 94 ARG N N 94 122.500 122.500 121.693 0.807 18812 3104 1 6 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.094 0.166 18812 3105 1 6 . 1 1 94 94 ARG C C 94 179.900 179.900 178.834 1.066 18812 3106 1 6 . 1 1 94 94 ARG CA C 94 57.800 57.800 58.136 -0.337 18812 3107 1 6 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.576 -0.376 18812 3108 1 6 . 1 1 94 94 ARG H H 94 7.520 7.520 8.072 -0.552 18812 3109 1 6 . 1 1 95 95 LEU N N 95 121.500 121.500 116.921 4.579 18812 3110 1 6 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.231 0.009 18812 3111 1 6 . 1 1 95 95 LEU C C 95 179.000 179.000 178.852 0.148 18812 3112 1 6 . 1 1 95 95 LEU CA C 95 58.100 58.100 57.807 0.293 18812 3113 1 6 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.942 0.858 18812 3114 1 6 . 1 1 95 95 LEU H H 95 8.350 8.350 8.093 0.257 18812 3115 1 6 . 1 1 96 96 ALA N N 96 121.900 121.900 121.165 0.735 18812 3116 1 6 . 1 1 96 96 ALA HA H 96 4.320 4.320 4.170 0.150 18812 3117 1 6 . 1 1 96 96 ALA C C 96 182.200 182.200 179.603 2.597 18812 3118 1 6 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.384 0.716 18812 3119 1 6 . 1 1 96 96 ALA CB C 96 18.000 18.000 18.288 -0.288 18812 3120 1 6 . 1 1 96 96 ALA H H 96 8.740 8.740 8.294 0.446 18812 3121 1 6 . 1 1 97 97 ALA N N 97 121.400 121.400 120.616 0.784 18812 3122 1 6 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.136 0.094 18812 3123 1 6 . 1 1 97 97 ALA C C 97 179.200 179.200 178.672 0.528 18812 3124 1 6 . 1 1 97 97 ALA CA C 97 54.600 54.600 53.361 1.239 18812 3125 1 6 . 1 1 97 97 ALA CB C 97 18.000 18.000 18.595 -0.595 18812 3126 1 6 . 1 1 97 97 ALA H H 97 8.190 8.190 7.962 0.228 18812 3127 1 6 . 1 1 98 98 GLY N N 98 103.500 103.500 106.393 -2.893 18812 3128 1 6 . 1 1 98 98 GLY C C 98 173.700 173.700 175.041 -1.341 18812 3129 1 6 . 1 1 98 98 GLY CA C 98 44.800 44.800 44.735 0.065 18812 3130 1 6 . 1 1 98 98 GLY H H 98 7.710 7.710 7.610 0.100 18812 3131 1 6 . 1 1 99 99 GLY N N 99 107.600 107.600 109.633 -2.033 18812 3132 1 6 . 1 1 99 99 GLY CA C 99 45.200 45.200 44.861 0.339 18812 3133 1 6 . 1 1 99 99 GLY H H 99 7.710 7.710 7.394 0.316 18812 3134 1 6 . 1 1 100 100 TRP N N 100 123.600 123.600 127.923 -4.323 18812 3135 1 6 . 1 1 100 100 TRP CB C 100 52.300 52.300 28.156 24.144 18812 3136 1 6 . 1 1 100 100 TRP H H 100 7.820 7.820 7.984 -0.164 18812 3137 1 6 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.191 -0.261 18812 3138 1 6 . 1 1 101 101 PRO C C 101 175.600 175.600 175.538 0.062 18812 3139 1 6 . 1 1 101 101 PRO CA C 101 62.600 62.600 63.835 -1.235 18812 3140 1 6 . 1 1 101 101 PRO CB C 101 34.200 34.200 31.154 3.046 18812 3141 1 6 . 1 1 102 102 LEU N N 102 122.800 122.800 120.839 1.961 18812 3142 1 6 . 1 1 102 102 LEU H H 102 8.470 8.470 7.604 0.866 18812 3143 1 6 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.644 0.016 18812 3144 1 6 . 1 1 103 103 ALA C C 103 177.100 177.100 177.359 -0.259 18812 3145 1 6 . 1 1 103 103 ALA CA C 103 51.500 51.500 51.863 -0.363 18812 3146 1 6 . 1 1 103 103 ALA CB C 103 21.700 21.700 20.485 1.215 18812 3147 1 6 . 1 1 104 104 GLY N N 104 108.500 108.500 110.827 -2.327 18812 3148 1 6 . 1 1 104 104 GLY C C 104 173.900 173.900 173.770 0.130 18812 3149 1 6 . 1 1 104 104 GLY CA C 104 45.900 45.900 44.762 1.138 18812 3150 1 6 . 1 1 104 104 GLY H H 104 8.700 8.700 8.371 0.329 18812 3151 1 6 . 1 1 105 105 VAL N N 105 116.700 116.700 117.644 -0.944 18812 3152 1 6 . 1 1 105 105 VAL HA H 105 4.220 4.220 3.955 0.265 18812 3153 1 6 . 1 1 105 105 VAL C C 105 174.700 174.700 175.548 -0.848 18812 3154 1 6 . 1 1 105 105 VAL CA C 105 61.000 61.000 61.476 -0.476 18812 3155 1 6 . 1 1 105 105 VAL CB C 105 33.100 33.100 31.200 1.900 18812 3156 1 6 . 1 1 105 105 VAL H H 105 7.660 7.660 7.708 -0.048 18812 3157 1 6 . 1 1 106 106 ASP N N 106 125.100 125.100 130.409 -5.309 18812 3158 1 6 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.604 0.066 18812 3159 1 6 . 1 1 106 106 ASP C C 106 176.500 176.500 175.487 1.013 18812 3160 1 6 . 1 1 106 106 ASP CA C 106 54.000 54.000 54.908 -0.909 18812 3161 1 6 . 1 1 106 106 ASP CB C 106 41.300 41.300 40.332 0.968 18812 3162 1 6 . 1 1 106 106 ASP H H 106 8.600 8.600 8.390 0.210 18812 3163 1 6 . 1 1 107 107 SER N N 107 117.400 117.400 118.118 -0.718 18812 3164 1 6 . 1 1 107 107 SER HA H 107 4.320 4.320 4.368 -0.048 18812 3165 1 6 . 1 1 107 107 SER C C 107 175.400 175.400 176.585 -1.185 18812 3166 1 6 . 1 1 107 107 SER CA C 107 59.500 59.500 60.277 -0.777 18812 3167 1 6 . 1 1 107 107 SER CB C 107 63.200 63.200 63.642 -0.442 18812 3168 1 6 . 1 1 107 107 SER H H 107 8.560 8.560 8.184 0.376 18812 3169 1 6 . 1 1 108 108 THR N N 108 115.100 115.100 117.406 -2.306 18812 3170 1 6 . 1 1 108 108 THR HA H 108 4.260 4.260 4.114 0.146 18812 3171 1 6 . 1 1 108 108 THR C C 108 174.800 174.800 174.674 0.126 18812 3172 1 6 . 1 1 108 108 THR CA C 108 63.000 63.000 63.920 -0.920 18812 3173 1 6 . 1 1 108 108 THR CB C 108 69.300 69.300 68.885 0.415 18812 3174 1 6 . 1 1 108 108 THR H H 108 8.230 8.230 8.488 -0.258 18812 3175 1 6 . 1 1 109 109 ALA N N 109 125.000 125.000 120.038 4.962 18812 3176 1 6 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.420 -0.060 18812 3177 1 6 . 1 1 109 109 ALA C C 109 177.500 177.500 178.179 -0.679 18812 3178 1 6 . 1 1 109 109 ALA CA C 109 52.500 52.500 51.809 0.691 18812 3179 1 6 . 1 1 109 109 ALA CB C 109 19.100 19.100 18.424 0.676 18812 3180 1 6 . 1 1 109 109 ALA H H 109 8.020 8.020 7.818 0.202 18812 3181 1 6 . 1 1 110 110 LEU N N 110 119.400 119.400 119.161 0.239 18812 3182 1 6 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.123 0.227 18812 3183 1 6 . 1 1 110 110 LEU C C 110 176.800 176.800 176.450 0.350 18812 3184 1 6 . 1 1 110 110 LEU CA C 110 55.000 55.000 56.393 -1.393 18812 3185 1 6 . 1 1 110 110 LEU CB C 110 42.000 42.000 41.673 0.327 18812 3186 1 6 . 1 1 110 110 LEU H H 110 7.880 7.880 7.124 0.756 18812 3187 1 6 . 1 1 111 111 ASN N N 111 118.700 118.700 117.426 1.274 18812 3188 1 6 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.746 -0.016 18812 3189 1 6 . 1 1 111 111 ASN C C 111 173.600 173.600 173.806 -0.206 18812 3190 1 6 . 1 1 111 111 ASN CA C 111 52.900 52.900 52.503 0.397 18812 3191 1 6 . 1 1 111 111 ASN CB C 111 39.000 39.000 38.457 0.543 18812 3192 1 6 . 1 1 111 111 ASN H H 111 8.230 8.230 7.707 0.523 18812 3193 1 7 . 1 1 10 10 GLY C C 10 174.100 174.100 174.669 -0.569 18812 3194 1 7 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.107 1.193 18812 3195 1 7 . 1 1 10 10 GLY H H 10 8.500 8.500 8.248 0.252 18812 3196 1 7 . 1 1 11 11 THR N N 11 113.700 113.700 112.076 1.624 18812 3197 1 7 . 1 1 11 11 THR HA H 11 4.350 4.350 4.175 0.175 18812 3198 1 7 . 1 1 11 11 THR C C 11 174.700 174.700 173.807 0.893 18812 3199 1 7 . 1 1 11 11 THR CA C 11 62.000 62.000 63.165 -1.165 18812 3200 1 7 . 1 1 11 11 THR CB C 11 69.800 69.800 68.734 1.067 18812 3201 1 7 . 1 1 11 11 THR H H 11 8.100 8.100 8.400 -0.300 18812 3202 1 7 . 1 1 12 12 LEU N N 12 124.100 124.100 122.757 1.343 18812 3203 1 7 . 1 1 12 12 LEU C C 12 177.600 177.600 176.451 1.149 18812 3204 1 7 . 1 1 12 12 LEU CA C 12 55.400 55.400 54.348 1.052 18812 3205 1 7 . 1 1 12 12 LEU CB C 12 42.000 42.000 43.097 -1.097 18812 3206 1 7 . 1 1 12 12 LEU H H 12 8.380 8.380 7.727 0.653 18812 3207 1 7 . 1 1 13 13 GLU N N 13 121.500 121.500 125.858 -4.358 18812 3208 1 7 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.524 -0.304 18812 3209 1 7 . 1 1 13 13 GLU C C 13 176.300 176.300 175.430 0.870 18812 3210 1 7 . 1 1 13 13 GLU CA C 13 56.900 56.900 54.855 2.045 18812 3211 1 7 . 1 1 13 13 GLU CB C 13 29.600 29.600 30.902 -1.302 18812 3212 1 7 . 1 1 13 13 GLU H H 13 8.440 8.440 8.353 0.087 18812 3213 1 7 . 1 1 14 14 ALA N N 14 124.300 124.300 122.286 2.014 18812 3214 1 7 . 1 1 14 14 ALA CA C 14 52.600 52.600 51.867 0.733 18812 3215 1 7 . 1 1 14 14 ALA CB C 14 19.000 19.000 19.503 -0.503 18812 3216 1 7 . 1 1 14 14 ALA H H 14 8.280 8.280 8.249 0.031 18812 3217 1 7 . 1 1 15 15 GLN N N 15 118.700 118.700 121.309 -2.609 18812 3218 1 7 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.160 0.240 18812 3219 1 7 . 1 1 15 15 GLN C C 15 176.300 176.300 176.414 -0.114 18812 3220 1 7 . 1 1 15 15 GLN CA C 15 55.800 55.800 57.521 -1.721 18812 3221 1 7 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.827 0.473 18812 3222 1 7 . 1 1 15 15 GLN H H 15 8.360 8.360 8.665 -0.305 18812 3223 1 7 . 1 1 16 16 THR N N 16 114.800 114.800 117.285 -2.485 18812 3224 1 7 . 1 1 16 16 THR C C 16 174.400 174.400 173.917 0.483 18812 3225 1 7 . 1 1 16 16 THR CA C 16 62.000 62.000 62.787 -0.787 18812 3226 1 7 . 1 1 16 16 THR CB C 16 69.700 69.700 67.457 2.243 18812 3227 1 7 . 1 1 16 16 THR H H 16 8.200 8.200 8.227 -0.027 18812 3228 1 7 . 1 1 17 17 GLN N N 17 122.200 122.200 124.619 -2.419 18812 3229 1 7 . 1 1 17 17 GLN C C 17 175.900 175.900 175.863 0.037 18812 3230 1 7 . 1 1 17 17 GLN CA C 17 55.500 55.500 56.278 -0.778 18812 3231 1 7 . 1 1 17 17 GLN CB C 17 29.600 29.600 28.253 1.347 18812 3232 1 7 . 1 1 17 17 GLN H H 17 8.430 8.430 8.275 0.155 18812 3233 1 7 . 1 1 18 18 GLY N N 18 110.100 110.100 112.643 -2.543 18812 3234 1 7 . 1 1 18 18 GLY CA C 18 44.500 44.500 44.843 -0.343 18812 3235 1 7 . 1 1 18 18 GLY H H 18 8.360 8.360 7.777 0.583 18812 3236 1 7 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.489 -0.029 18812 3237 1 7 . 1 1 19 19 PRO C C 19 177.700 177.700 177.047 0.653 18812 3238 1 7 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.061 0.539 18812 3239 1 7 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.109 -0.209 18812 3240 1 7 . 1 1 20 20 GLY N N 20 109.600 109.600 112.145 -2.545 18812 3241 1 7 . 1 1 20 20 GLY C C 20 174.100 174.100 173.677 0.423 18812 3242 1 7 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.469 -0.269 18812 3243 1 7 . 1 1 20 20 GLY H H 20 8.630 8.630 8.788 -0.158 18812 3244 1 7 . 1 1 21 21 SER N N 21 115.300 115.300 116.025 -0.725 18812 3245 1 7 . 1 1 21 21 SER HA H 21 4.460 4.460 4.746 -0.286 18812 3246 1 7 . 1 1 21 21 SER C C 21 174.100 174.100 172.826 1.274 18812 3247 1 7 . 1 1 21 21 SER CA C 21 58.300 58.300 58.975 -0.675 18812 3248 1 7 . 1 1 21 21 SER CB C 21 63.900 63.900 63.221 0.679 18812 3249 1 7 . 1 1 21 21 SER H H 21 8.150 8.150 8.427 -0.277 18812 3250 1 7 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.554 -0.114 18812 3251 1 7 . 1 1 22 22 PRO C C 22 176.800 176.800 175.715 1.085 18812 3252 1 7 . 1 1 22 22 PRO CA C 22 63.100 63.100 62.879 0.221 18812 3253 1 7 . 1 1 22 22 PRO CB C 22 32.100 32.100 30.327 1.773 18812 3254 1 7 . 1 1 23 23 GLU N N 23 120.900 120.900 122.840 -1.940 18812 3255 1 7 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.311 -0.031 18812 3256 1 7 . 1 1 23 23 GLU C C 23 177.000 177.000 177.407 -0.407 18812 3257 1 7 . 1 1 23 23 GLU CA C 23 56.600 56.600 56.638 -0.038 18812 3258 1 7 . 1 1 23 23 GLU CB C 23 30.400 30.400 30.416 -0.016 18812 3259 1 7 . 1 1 23 23 GLU H H 23 8.630 8.630 8.194 0.436 18812 3260 1 7 . 1 1 24 24 GLY N N 24 109.800 109.800 110.144 -0.344 18812 3261 1 7 . 1 1 24 24 GLY C C 24 173.600 173.600 174.100 -0.500 18812 3262 1 7 . 1 1 24 24 GLY CA C 24 45.100 45.100 45.129 -0.029 18812 3263 1 7 . 1 1 24 24 GLY H H 24 8.450 8.450 8.796 -0.346 18812 3264 1 7 . 1 1 25 25 VAL N N 25 120.600 120.600 117.682 2.918 18812 3265 1 7 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.654 -0.194 18812 3266 1 7 . 1 1 25 25 VAL CA C 25 59.700 59.700 59.144 0.556 18812 3267 1 7 . 1 1 25 25 VAL CB C 25 32.600 32.600 32.894 -0.294 18812 3268 1 7 . 1 1 25 25 VAL H H 25 7.990 7.990 7.608 0.382 18812 3269 1 7 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.373 0.147 18812 3270 1 7 . 1 1 27 27 PRO C C 27 177.200 177.200 176.142 1.058 18812 3271 1 7 . 1 1 27 27 PRO CA C 27 63.100 63.100 63.379 -0.279 18812 3272 1 7 . 1 1 27 27 PRO CB C 27 32.000 32.000 31.392 0.608 18812 3273 1 7 . 1 1 28 28 THR N N 28 113.000 113.000 116.453 -3.453 18812 3274 1 7 . 1 1 28 28 THR HA H 28 4.270 4.270 4.407 -0.137 18812 3275 1 7 . 1 1 28 28 THR C C 28 174.400 174.400 175.450 -1.050 18812 3276 1 7 . 1 1 28 28 THR CA C 28 62.000 62.000 60.906 1.094 18812 3277 1 7 . 1 1 28 28 THR CB C 28 69.700 69.700 70.040 -0.340 18812 3278 1 7 . 1 1 28 28 THR H H 28 8.160 8.160 7.861 0.299 18812 3279 1 7 . 1 1 29 29 ASP N N 29 122.100 122.100 120.732 1.368 18812 3280 1 7 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.495 0.085 18812 3281 1 7 . 1 1 29 29 ASP CA C 29 54.300 54.300 55.824 -1.524 18812 3282 1 7 . 1 1 29 29 ASP CB C 29 40.900 40.900 41.135 -0.235 18812 3283 1 7 . 1 1 29 29 ASP H H 29 8.290 8.290 8.631 -0.341 18812 3284 1 7 . 1 1 30 30 ARG N N 30 120.300 120.300 119.087 1.213 18812 3285 1 7 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.291 -0.101 18812 3286 1 7 . 1 1 30 30 ARG C C 30 175.600 175.600 175.618 -0.018 18812 3287 1 7 . 1 1 30 30 ARG CA C 30 56.200 56.200 54.337 1.863 18812 3288 1 7 . 1 1 30 30 ARG CB C 30 30.800 30.800 30.955 -0.155 18812 3289 1 7 . 1 1 30 30 ARG H H 30 8.070 8.070 7.633 0.437 18812 3290 1 7 . 1 1 31 31 PHE N N 31 120.500 120.500 120.891 -0.391 18812 3291 1 7 . 1 1 31 31 PHE CB C 31 38.800 38.800 38.566 0.234 18812 3292 1 7 . 1 1 31 31 PHE H H 31 8.240 8.240 8.281 -0.041 18812 3293 1 7 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.376 0.064 18812 3294 1 7 . 1 1 32 32 PRO C C 32 177.200 177.200 175.628 1.572 18812 3295 1 7 . 1 1 32 32 PRO CA C 32 63.400 63.400 63.421 -0.021 18812 3296 1 7 . 1 1 32 32 PRO CB C 32 31.700 31.700 31.871 -0.171 18812 3297 1 7 . 1 1 33 33 LEU N N 33 121.000 121.000 121.564 -0.564 18812 3298 1 7 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.376 -0.046 18812 3299 1 7 . 1 1 33 33 LEU CA C 33 55.600 55.600 54.272 1.328 18812 3300 1 7 . 1 1 33 33 LEU CB C 33 42.100 42.100 42.238 -0.138 18812 3301 1 7 . 1 1 33 33 LEU H H 33 8.290 8.290 7.634 0.656 18812 3302 1 7 . 1 1 34 34 LEU N N 34 122.100 122.100 124.320 -2.220 18812 3303 1 7 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.447 -0.137 18812 3304 1 7 . 1 1 34 34 LEU C C 34 177.300 177.300 177.096 0.204 18812 3305 1 7 . 1 1 34 34 LEU CA C 34 55.200 55.200 54.039 1.161 18812 3306 1 7 . 1 1 34 34 LEU CB C 34 41.900 41.900 40.314 1.586 18812 3307 1 7 . 1 1 34 34 LEU H H 34 8.110 8.110 8.847 -0.737 18812 3308 1 7 . 1 1 35 35 ALA N N 35 123.400 123.400 121.540 1.860 18812 3309 1 7 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.322 -0.042 18812 3310 1 7 . 1 1 35 35 ALA C C 35 177.600 177.600 177.467 0.133 18812 3311 1 7 . 1 1 35 35 ALA CA C 35 52.700 52.700 52.018 0.682 18812 3312 1 7 . 1 1 35 35 ALA CB C 35 18.800 18.800 18.932 -0.132 18812 3313 1 7 . 1 1 35 35 ALA H H 35 8.140 8.140 7.752 0.388 18812 3314 1 7 . 1 1 36 36 LEU N N 36 120.000 120.000 120.085 -0.085 18812 3315 1 7 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.506 -0.246 18812 3316 1 7 . 1 1 36 36 LEU CA C 36 55.500 55.500 54.070 1.430 18812 3317 1 7 . 1 1 36 36 LEU CB C 36 42.000 42.000 43.594 -1.594 18812 3318 1 7 . 1 1 36 36 LEU H H 36 7.990 7.990 7.544 0.446 18812 3319 1 7 . 1 1 37 37 LEU N N 37 122.700 122.700 125.146 -2.446 18812 3320 1 7 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.202 0.178 18812 3321 1 7 . 1 1 37 37 LEU C C 37 177.100 177.100 176.880 0.220 18812 3322 1 7 . 1 1 37 37 LEU CA C 37 55.000 55.000 56.118 -1.119 18812 3323 1 7 . 1 1 37 37 LEU CB C 37 42.100 42.100 40.328 1.772 18812 3324 1 7 . 1 1 37 37 LEU H H 37 8.190 8.190 8.509 -0.319 18812 3325 1 7 . 1 1 38 38 ARG N N 38 121.600 121.600 124.545 -2.945 18812 3326 1 7 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.813 -0.343 18812 3327 1 7 . 1 1 38 38 ARG C C 38 176.200 176.200 175.706 0.494 18812 3328 1 7 . 1 1 38 38 ARG CA C 38 55.100 55.100 54.061 1.039 18812 3329 1 7 . 1 1 38 38 ARG CB C 38 31.200 31.200 31.806 -0.606 18812 3330 1 7 . 1 1 38 38 ARG H H 38 8.040 8.040 7.820 0.220 18812 3331 1 7 . 1 1 39 39 ARG N N 39 123.600 123.600 117.966 5.634 18812 3332 1 7 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.348 0.022 18812 3333 1 7 . 1 1 39 39 ARG C C 39 175.500 175.500 177.161 -1.661 18812 3334 1 7 . 1 1 39 39 ARG CA C 39 56.700 56.700 57.249 -0.549 18812 3335 1 7 . 1 1 39 39 ARG CB C 39 31.200 31.200 30.723 0.477 18812 3336 1 7 . 1 1 39 39 ARG H H 39 8.840 8.840 8.374 0.466 18812 3337 1 7 . 1 1 40 40 THR N N 40 113.900 113.900 112.675 1.225 18812 3338 1 7 . 1 1 40 40 THR HA H 40 4.770 4.770 4.213 0.557 18812 3339 1 7 . 1 1 40 40 THR C C 40 175.300 175.300 173.926 1.374 18812 3340 1 7 . 1 1 40 40 THR CA C 40 59.500 59.500 62.131 -2.631 18812 3341 1 7 . 1 1 40 40 THR CB C 40 71.700 71.700 68.894 2.806 18812 3342 1 7 . 1 1 40 40 THR H H 40 8.150 8.150 7.792 0.358 18812 3343 1 7 . 1 1 41 41 LEU N N 41 123.100 123.100 129.151 -6.051 18812 3344 1 7 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.403 0.067 18812 3345 1 7 . 1 1 41 41 LEU C C 41 179.700 179.700 177.146 2.554 18812 3346 1 7 . 1 1 41 41 LEU CA C 41 54.900 54.900 54.225 0.675 18812 3347 1 7 . 1 1 41 41 LEU CB C 41 43.000 43.000 40.863 2.137 18812 3348 1 7 . 1 1 41 41 LEU H H 41 9.480 9.480 8.605 0.875 18812 3349 1 7 . 1 1 42 42 THR N N 42 115.100 115.100 118.749 -3.649 18812 3350 1 7 . 1 1 42 42 THR HA H 42 4.580 4.580 4.176 0.404 18812 3351 1 7 . 1 1 42 42 THR C C 42 175.400 175.400 175.284 0.116 18812 3352 1 7 . 1 1 42 42 THR CA C 42 60.900 60.900 62.440 -1.540 18812 3353 1 7 . 1 1 42 42 THR CB C 42 70.600 70.600 70.804 -0.204 18812 3354 1 7 . 1 1 42 42 THR H H 42 8.790 8.790 7.773 1.017 18812 3355 1 7 . 1 1 43 43 GLU N N 43 121.400 121.400 125.527 -4.127 18812 3356 1 7 . 1 1 43 43 GLU HA H 43 4.020 4.020 3.963 0.057 18812 3357 1 7 . 1 1 43 43 GLU C C 43 179.100 179.100 178.249 0.851 18812 3358 1 7 . 1 1 43 43 GLU CA C 43 59.700 59.700 60.187 -0.487 18812 3359 1 7 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.695 -0.795 18812 3360 1 7 . 1 1 43 43 GLU H H 43 9.020 9.020 8.364 0.656 18812 3361 1 7 . 1 1 44 44 GLU N N 44 118.300 118.300 117.793 0.507 18812 3362 1 7 . 1 1 44 44 GLU HA H 44 4.020 4.020 3.941 0.079 18812 3363 1 7 . 1 1 44 44 GLU C C 44 179.700 179.700 178.945 0.755 18812 3364 1 7 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.444 0.756 18812 3365 1 7 . 1 1 44 44 GLU CB C 44 29.000 29.000 29.085 -0.085 18812 3366 1 7 . 1 1 44 44 GLU H H 44 8.810 8.810 8.736 0.074 18812 3367 1 7 . 1 1 45 45 GLN N N 45 119.300 119.300 118.606 0.694 18812 3368 1 7 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.279 -0.059 18812 3369 1 7 . 1 1 45 45 GLN C C 45 178.500 178.500 178.824 -0.324 18812 3370 1 7 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.528 -0.228 18812 3371 1 7 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.628 0.572 18812 3372 1 7 . 1 1 45 45 GLN H H 45 7.800 7.800 7.716 0.084 18812 3373 1 7 . 1 1 46 46 VAL N N 46 121.000 121.000 120.652 0.348 18812 3374 1 7 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.561 -0.161 18812 3375 1 7 . 1 1 46 46 VAL C C 46 177.500 177.500 178.253 -0.753 18812 3376 1 7 . 1 1 46 46 VAL CA C 46 67.600 67.600 66.692 0.909 18812 3377 1 7 . 1 1 46 46 VAL CB C 46 31.300 31.300 31.304 -0.004 18812 3378 1 7 . 1 1 46 46 VAL H H 46 8.420 8.420 8.187 0.233 18812 3379 1 7 . 1 1 47 47 GLN N N 47 115.900 115.900 118.152 -2.252 18812 3380 1 7 . 1 1 47 47 GLN HA H 47 3.890 3.890 3.984 -0.094 18812 3381 1 7 . 1 1 47 47 GLN C C 47 178.500 178.500 178.505 -0.005 18812 3382 1 7 . 1 1 47 47 GLN CA C 47 58.800 58.800 59.191 -0.391 18812 3383 1 7 . 1 1 47 47 GLN CB C 47 27.700 27.700 28.486 -0.786 18812 3384 1 7 . 1 1 47 47 GLN H H 47 7.470 7.470 8.517 -1.047 18812 3385 1 7 . 1 1 48 48 GLU N N 48 121.400 121.400 121.156 0.244 18812 3386 1 7 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.084 0.036 18812 3387 1 7 . 1 1 48 48 GLU C C 48 178.500 178.500 178.910 -0.410 18812 3388 1 7 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.545 -0.245 18812 3389 1 7 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.230 0.570 18812 3390 1 7 . 1 1 48 48 GLU H H 48 7.940 7.940 8.131 -0.191 18812 3391 1 7 . 1 1 49 49 VAL N N 49 120.300 120.300 120.496 -0.196 18812 3392 1 7 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.719 -0.129 18812 3393 1 7 . 1 1 49 49 VAL CA C 49 67.200 67.200 66.683 0.517 18812 3394 1 7 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.881 -0.381 18812 3395 1 7 . 1 1 49 49 VAL H H 49 8.580 8.580 8.205 0.375 18812 3396 1 7 . 1 1 50 50 VAL N N 50 118.700 118.700 116.132 2.568 18812 3397 1 7 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.638 -0.418 18812 3398 1 7 . 1 1 50 50 VAL C C 50 178.600 178.600 177.477 1.123 18812 3399 1 7 . 1 1 50 50 VAL CA C 50 67.500 67.500 66.148 1.352 18812 3400 1 7 . 1 1 50 50 VAL CB C 50 31.400 31.400 31.260 0.140 18812 3401 1 7 . 1 1 50 50 VAL H H 50 8.350 8.350 8.149 0.201 18812 3402 1 7 . 1 1 51 51 ALA N N 51 123.200 123.200 123.561 -0.361 18812 3403 1 7 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.130 -0.300 18812 3404 1 7 . 1 1 51 51 ALA C C 51 180.100 180.100 179.150 0.950 18812 3405 1 7 . 1 1 51 51 ALA CA C 51 55.300 55.300 54.872 0.428 18812 3406 1 7 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.733 -1.033 18812 3407 1 7 . 1 1 51 51 ALA H H 51 8.320 8.320 8.253 0.067 18812 3408 1 7 . 1 1 52 52 LYS N N 52 117.200 117.200 117.893 -0.693 18812 3409 1 7 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.273 -0.153 18812 3410 1 7 . 1 1 52 52 LYS C C 52 180.200 180.200 178.995 1.205 18812 3411 1 7 . 1 1 52 52 LYS CA C 52 59.200 59.200 58.671 0.529 18812 3412 1 7 . 1 1 52 52 LYS CB C 52 32.700 32.700 33.042 -0.342 18812 3413 1 7 . 1 1 52 52 LYS H H 52 8.170 8.170 7.943 0.227 18812 3414 1 7 . 1 1 53 53 LEU N N 53 118.600 118.600 121.485 -2.885 18812 3415 1 7 . 1 1 53 53 LEU HA H 53 3.390 3.390 3.355 0.035 18812 3416 1 7 . 1 1 53 53 LEU C C 53 176.300 176.300 177.541 -1.241 18812 3417 1 7 . 1 1 53 53 LEU CA C 53 56.300 56.300 57.185 -0.885 18812 3418 1 7 . 1 1 53 53 LEU CB C 53 44.300 44.300 41.094 3.205 18812 3419 1 7 . 1 1 53 53 LEU H H 53 8.170 8.170 8.485 -0.315 18812 3420 1 7 . 1 1 54 54 THR N N 54 103.000 103.000 108.982 -5.982 18812 3421 1 7 . 1 1 54 54 THR HA H 54 3.490 3.490 4.129 -0.639 18812 3422 1 7 . 1 1 54 54 THR C C 54 173.600 173.600 175.363 -1.763 18812 3423 1 7 . 1 1 54 54 THR CA C 54 60.800 60.800 63.184 -2.385 18812 3424 1 7 . 1 1 54 54 THR CB C 54 69.700 69.700 68.339 1.361 18812 3425 1 7 . 1 1 54 54 THR H H 54 6.990 6.990 7.885 -0.895 18812 3426 1 7 . 1 1 55 55 ASP N N 55 126.400 126.400 123.258 3.142 18812 3427 1 7 . 1 1 55 55 ASP HA H 55 4.630 4.630 4.977 -0.347 18812 3428 1 7 . 1 1 55 55 ASP CA C 55 52.600 52.600 51.069 1.531 18812 3429 1 7 . 1 1 55 55 ASP CB C 55 42.200 42.200 42.718 -0.518 18812 3430 1 7 . 1 1 55 55 ASP H H 55 6.900 6.900 7.713 -0.813 18812 3431 1 7 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.351 -0.011 18812 3432 1 7 . 1 1 56 56 PRO C C 56 178.500 178.500 178.085 0.415 18812 3433 1 7 . 1 1 56 56 PRO CA C 56 65.100 65.100 64.212 0.888 18812 3434 1 7 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.278 -0.178 18812 3435 1 7 . 1 1 57 57 GLU N N 57 115.700 115.700 120.269 -4.569 18812 3436 1 7 . 1 1 57 57 GLU C C 57 176.300 176.300 178.266 -1.966 18812 3437 1 7 . 1 1 57 57 GLU CA C 57 59.600 59.600 59.498 0.102 18812 3438 1 7 . 1 1 57 57 GLU CB C 57 29.400 29.400 29.651 -0.251 18812 3439 1 7 . 1 1 57 57 GLU H H 57 8.640 8.640 8.225 0.415 18812 3440 1 7 . 1 1 58 58 SER N N 58 115.000 115.000 115.572 -0.572 18812 3441 1 7 . 1 1 58 58 SER HA H 58 4.260 4.260 4.252 0.008 18812 3442 1 7 . 1 1 58 58 SER C C 58 177.400 177.400 177.173 0.227 18812 3443 1 7 . 1 1 58 58 SER CA C 58 62.900 62.900 62.006 0.894 18812 3444 1 7 . 1 1 58 58 SER CB C 58 69.300 69.300 63.316 5.984 18812 3445 1 7 . 1 1 58 58 SER H H 58 8.180 8.180 8.823 -0.643 18812 3446 1 7 . 1 1 60 60 ALA N N 60 123.000 123.000 123.825 -0.825 18812 3447 1 7 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.123 0.507 18812 3448 1 7 . 1 1 60 60 ALA C C 60 180.600 180.600 179.411 1.189 18812 3449 1 7 . 1 1 60 60 ALA CA C 60 53.600 53.600 54.555 -0.955 18812 3450 1 7 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.340 0.860 18812 3451 1 7 . 1 1 60 60 ALA H H 60 8.020 8.020 7.524 0.496 18812 3452 1 7 . 1 1 61 61 GLN N N 61 114.000 114.000 118.511 -4.511 18812 3453 1 7 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.121 -0.101 18812 3454 1 7 . 1 1 61 61 GLN C C 61 176.900 176.900 177.855 -0.955 18812 3455 1 7 . 1 1 61 61 GLN CA C 61 54.900 54.900 57.923 -3.023 18812 3456 1 7 . 1 1 61 61 GLN CB C 61 28.500 28.500 28.313 0.187 18812 3457 1 7 . 1 1 61 61 GLN H H 61 7.500 7.500 7.672 -0.172 18812 3458 1 7 . 1 1 62 62 ILE N N 62 123.900 123.900 120.153 3.747 18812 3459 1 7 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.861 -0.081 18812 3460 1 7 . 1 1 62 62 ILE C C 62 176.800 176.800 177.539 -0.739 18812 3461 1 7 . 1 1 62 62 ILE CA C 62 65.900 65.900 63.841 2.059 18812 3462 1 7 . 1 1 62 62 ILE CB C 62 37.700 37.700 37.671 0.029 18812 3463 1 7 . 1 1 62 62 ILE H H 62 7.240 7.240 7.770 -0.530 18812 3464 1 7 . 1 1 63 63 ASP N N 63 114.100 114.100 117.248 -3.148 18812 3465 1 7 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.751 0.059 18812 3466 1 7 . 1 1 63 63 ASP C C 63 177.500 177.500 176.970 0.530 18812 3467 1 7 . 1 1 63 63 ASP CA C 63 51.700 51.700 54.263 -2.563 18812 3468 1 7 . 1 1 63 63 ASP CB C 63 40.300 40.300 42.533 -2.233 18812 3469 1 7 . 1 1 63 63 ASP H H 63 7.860 7.860 7.964 -0.104 18812 3470 1 7 . 1 1 64 64 GLY N N 64 104.800 104.800 107.428 -2.628 18812 3471 1 7 . 1 1 64 64 GLY C C 64 173.400 173.400 174.106 -0.706 18812 3472 1 7 . 1 1 64 64 GLY CA C 64 45.900 45.900 46.193 -0.293 18812 3473 1 7 . 1 1 64 64 GLY H H 64 7.860 7.860 8.261 -0.401 18812 3474 1 7 . 1 1 65 65 VAL N N 65 117.700 117.700 120.474 -2.774 18812 3475 1 7 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.274 0.227 18812 3476 1 7 . 1 1 65 65 VAL C C 65 173.300 173.300 174.985 -1.685 18812 3477 1 7 . 1 1 65 65 VAL CA C 65 60.100 60.100 61.459 -1.359 18812 3478 1 7 . 1 1 65 65 VAL CB C 65 36.100 36.100 34.837 1.263 18812 3479 1 7 . 1 1 65 65 VAL H H 65 7.550 7.550 7.527 0.023 18812 3480 1 7 . 1 1 66 66 VAL N N 66 129.500 129.500 127.863 1.637 18812 3481 1 7 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.237 0.493 18812 3482 1 7 . 1 1 66 66 VAL C C 66 174.300 174.300 175.204 -0.904 18812 3483 1 7 . 1 1 66 66 VAL CA C 66 61.500 61.500 62.452 -0.952 18812 3484 1 7 . 1 1 66 66 VAL CB C 66 31.800 31.800 31.452 0.348 18812 3485 1 7 . 1 1 66 66 VAL H H 66 8.540 8.540 8.570 -0.030 18812 3486 1 7 . 1 1 67 67 SER N N 67 123.500 123.500 124.676 -1.176 18812 3487 1 7 . 1 1 67 67 SER HA H 67 5.510 5.510 4.785 0.725 18812 3488 1 7 . 1 1 67 67 SER CA C 67 55.700 55.700 56.919 -1.219 18812 3489 1 7 . 1 1 67 67 SER CB C 67 66.100 66.100 66.528 -0.428 18812 3490 1 7 . 1 1 67 67 SER H H 67 9.370 9.370 8.030 1.340 18812 3491 1 7 . 1 1 68 68 LYS C C 68 177.100 177.100 177.866 -0.766 18812 3492 1 7 . 1 1 69 69 ASP N N 69 114.800 114.800 117.420 -2.620 18812 3493 1 7 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.516 -0.066 18812 3494 1 7 . 1 1 69 69 ASP C C 69 178.800 178.800 177.956 0.844 18812 3495 1 7 . 1 1 69 69 ASP CA C 69 56.900 56.900 56.627 0.273 18812 3496 1 7 . 1 1 69 69 ASP CB C 69 40.400 40.400 39.874 0.526 18812 3497 1 7 . 1 1 69 69 ASP H H 69 8.420 8.420 8.691 -0.271 18812 3498 1 7 . 1 1 70 70 GLU N N 70 120.300 120.300 119.626 0.674 18812 3499 1 7 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.070 0.080 18812 3500 1 7 . 1 1 70 70 GLU C C 70 178.000 178.000 178.527 -0.527 18812 3501 1 7 . 1 1 70 70 GLU CA C 70 59.200 59.200 58.972 0.228 18812 3502 1 7 . 1 1 70 70 GLU CB C 70 28.600 28.600 29.180 -0.580 18812 3503 1 7 . 1 1 70 70 GLU H H 70 7.600 7.600 8.075 -0.475 18812 3504 1 7 . 1 1 71 71 ILE N N 71 119.100 119.100 120.785 -1.685 18812 3505 1 7 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.623 -0.193 18812 3506 1 7 . 1 1 71 71 ILE C C 71 177.300 177.300 178.217 -0.917 18812 3507 1 7 . 1 1 71 71 ILE CA C 71 67.300 67.300 65.451 1.849 18812 3508 1 7 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.559 0.241 18812 3509 1 7 . 1 1 71 71 ILE H H 71 8.050 8.050 8.156 -0.106 18812 3510 1 7 . 1 1 72 72 GLU N N 72 116.200 116.200 119.644 -3.444 18812 3511 1 7 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.925 -0.275 18812 3512 1 7 . 1 1 72 72 GLU C C 72 178.000 178.000 179.068 -1.068 18812 3513 1 7 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.793 1.207 18812 3514 1 7 . 1 1 72 72 GLU CB C 72 30.200 30.200 29.074 1.126 18812 3515 1 7 . 1 1 72 72 GLU H H 72 8.460 8.460 7.903 0.557 18812 3516 1 7 . 1 1 73 73 LYS N N 73 118.600 118.600 120.270 -1.670 18812 3517 1 7 . 1 1 73 73 LYS C C 73 179.000 179.000 179.428 -0.428 18812 3518 1 7 . 1 1 73 73 LYS CA C 73 59.400 59.400 58.991 0.409 18812 3519 1 7 . 1 1 73 73 LYS CB C 73 32.600 32.600 32.091 0.509 18812 3520 1 7 . 1 1 73 73 LYS H H 73 8.020 8.020 7.746 0.274 18812 3521 1 7 . 1 1 74 74 PHE N N 74 118.500 118.500 118.738 -0.238 18812 3522 1 7 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.304 0.016 18812 3523 1 7 . 1 1 74 74 PHE C C 74 179.400 179.400 178.169 1.231 18812 3524 1 7 . 1 1 74 74 PHE CA C 74 61.300 61.300 61.200 0.100 18812 3525 1 7 . 1 1 74 74 PHE CB C 74 38.300 38.300 38.952 -0.652 18812 3526 1 7 . 1 1 74 74 PHE H H 74 8.870 8.870 8.351 0.519 18812 3527 1 7 . 1 1 75 75 ILE N N 75 119.000 119.000 119.909 -0.909 18812 3528 1 7 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.651 0.119 18812 3529 1 7 . 1 1 75 75 ILE C C 75 177.900 177.900 178.316 -0.416 18812 3530 1 7 . 1 1 75 75 ILE CA C 75 66.800 66.800 65.160 1.640 18812 3531 1 7 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.701 0.799 18812 3532 1 7 . 1 1 75 75 ILE H H 75 8.570 8.570 8.365 0.205 18812 3533 1 7 . 1 1 76 76 ALA N N 76 122.200 122.200 121.922 0.278 18812 3534 1 7 . 1 1 76 76 ALA HA H 76 4.570 4.570 3.948 0.622 18812 3535 1 7 . 1 1 76 76 ALA C C 76 181.000 181.000 179.267 1.733 18812 3536 1 7 . 1 1 76 76 ALA CA C 76 54.600 54.600 55.159 -0.559 18812 3537 1 7 . 1 1 76 76 ALA CB C 76 18.400 18.400 17.877 0.523 18812 3538 1 7 . 1 1 76 76 ALA H H 76 8.230 8.230 8.358 -0.128 18812 3539 1 7 . 1 1 77 77 ASP N N 77 117.200 117.200 117.799 -0.599 18812 3540 1 7 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.404 0.036 18812 3541 1 7 . 1 1 77 77 ASP C C 77 177.200 177.200 177.339 -0.139 18812 3542 1 7 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.333 0.367 18812 3543 1 7 . 1 1 77 77 ASP CB C 77 41.100 41.100 41.096 0.004 18812 3544 1 7 . 1 1 77 77 ASP H H 77 7.900 7.900 7.709 0.191 18812 3545 1 7 . 1 1 78 78 VAL N N 78 118.100 118.100 118.554 -0.454 18812 3546 1 7 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.147 -0.177 18812 3547 1 7 . 1 1 78 78 VAL C C 78 177.800 177.800 175.381 2.419 18812 3548 1 7 . 1 1 78 78 VAL CA C 78 64.800 64.800 61.961 2.839 18812 3549 1 7 . 1 1 78 78 VAL CB C 78 32.700 32.700 30.480 2.220 18812 3550 1 7 . 1 1 78 78 VAL H H 78 7.730 7.730 7.655 0.075 18812 3551 1 7 . 1 1 79 79 THR N N 79 109.800 109.800 111.037 -1.237 18812 3552 1 7 . 1 1 79 79 THR HA H 79 4.100 4.100 3.884 0.216 18812 3553 1 7 . 1 1 79 79 THR C C 79 175.700 175.700 174.815 0.885 18812 3554 1 7 . 1 1 79 79 THR CA C 79 69.400 69.400 64.397 5.003 18812 3555 1 7 . 1 1 79 79 THR CB C 79 63.100 63.100 67.249 -4.149 18812 3556 1 7 . 1 1 79 79 THR H H 79 8.830 8.830 7.714 1.116 18812 3557 1 7 . 1 1 80 80 LYS N N 80 115.700 115.700 120.838 -5.138 18812 3558 1 7 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.280 -0.270 18812 3559 1 7 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.285 -1.585 18812 3560 1 7 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.794 -4.394 18812 3561 1 7 . 1 1 80 80 LYS H H 80 8.440 8.440 7.572 0.868 18812 3562 1 7 . 1 1 81 81 ASP N N 81 119.600 119.600 117.368 2.232 18812 3563 1 7 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.311 0.539 18812 3564 1 7 . 1 1 81 81 ASP C C 81 174.400 174.400 175.403 -1.003 18812 3565 1 7 . 1 1 81 81 ASP CA C 81 51.200 51.200 56.981 -5.781 18812 3566 1 7 . 1 1 81 81 ASP CB C 81 44.400 44.400 39.890 4.510 18812 3567 1 7 . 1 1 81 81 ASP H H 81 8.140 8.140 7.985 0.155 18812 3568 1 7 . 1 1 82 82 GLU N N 82 120.500 120.500 122.154 -1.654 18812 3569 1 7 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.772 -0.322 18812 3570 1 7 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.374 0.826 18812 3571 1 7 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.888 -0.988 18812 3572 1 7 . 1 1 82 82 GLU H H 82 8.810 8.810 8.000 0.810 18812 3573 1 7 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.628 0.022 18812 3574 1 7 . 1 1 83 83 PRO C C 83 176.900 176.900 176.312 0.588 18812 3575 1 7 . 1 1 83 83 PRO CA C 83 62.400 62.400 63.013 -0.613 18812 3576 1 7 . 1 1 83 83 PRO CB C 83 32.600 32.600 31.247 1.353 18812 3577 1 7 . 1 1 84 84 THR N N 84 115.300 115.300 118.516 -3.216 18812 3578 1 7 . 1 1 84 84 THR HA H 84 4.590 4.590 4.363 0.227 18812 3579 1 7 . 1 1 84 84 THR C C 84 175.000 175.000 176.041 -1.041 18812 3580 1 7 . 1 1 84 84 THR CA C 84 59.800 59.800 59.349 0.451 18812 3581 1 7 . 1 1 84 84 THR CB C 84 71.700 71.700 70.492 1.208 18812 3582 1 7 . 1 1 84 84 THR H H 84 9.550 9.550 8.918 0.632 18812 3583 1 7 . 1 1 85 85 ALA N N 85 124.400 124.400 126.168 -1.768 18812 3584 1 7 . 1 1 85 85 ALA HA H 85 4.060 4.060 4.030 0.030 18812 3585 1 7 . 1 1 85 85 ALA C C 85 180.900 180.900 179.458 1.442 18812 3586 1 7 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.462 -0.162 18812 3587 1 7 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.512 -0.512 18812 3588 1 7 . 1 1 85 85 ALA H H 85 8.970 8.970 8.874 0.096 18812 3589 1 7 . 1 1 86 86 GLN N N 86 116.500 116.500 118.121 -1.621 18812 3590 1 7 . 1 1 86 86 GLN HA H 86 4.120 4.120 3.975 0.145 18812 3591 1 7 . 1 1 86 86 GLN CA C 86 58.900 58.900 59.375 -0.475 18812 3592 1 7 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.347 -0.247 18812 3593 1 7 . 1 1 86 86 GLN H H 86 8.680 8.680 8.123 0.557 18812 3594 1 7 . 1 1 87 87 ASP N N 87 122.300 122.300 120.347 1.953 18812 3595 1 7 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.387 0.213 18812 3596 1 7 . 1 1 87 87 ASP C C 87 178.200 178.200 178.765 -0.565 18812 3597 1 7 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.384 0.416 18812 3598 1 7 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.384 -0.684 18812 3599 1 7 . 1 1 87 87 ASP H H 87 7.820 7.820 7.600 0.220 18812 3600 1 7 . 1 1 88 88 ILE N N 88 120.900 120.900 119.692 1.208 18812 3601 1 7 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.685 -0.205 18812 3602 1 7 . 1 1 88 88 ILE C C 88 177.800 177.800 178.063 -0.263 18812 3603 1 7 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.689 1.111 18812 3604 1 7 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.688 0.612 18812 3605 1 7 . 1 1 88 88 ILE H H 88 8.160 8.160 8.265 -0.105 18812 3606 1 7 . 1 1 89 89 SER N N 89 113.200 113.200 115.672 -2.472 18812 3607 1 7 . 1 1 89 89 SER HA H 89 4.240 4.240 4.097 0.143 18812 3608 1 7 . 1 1 89 89 SER C C 89 177.200 177.200 176.743 0.457 18812 3609 1 7 . 1 1 89 89 SER CA C 89 61.700 61.700 62.169 -0.469 18812 3610 1 7 . 1 1 89 89 SER CB C 89 62.700 62.700 63.012 -0.312 18812 3611 1 7 . 1 1 89 89 SER H H 89 7.970 7.970 8.273 -0.303 18812 3612 1 7 . 1 1 90 90 ARG N N 90 123.100 123.100 121.437 1.663 18812 3613 1 7 . 1 1 90 90 ARG HA H 90 4.110 4.110 3.978 0.133 18812 3614 1 7 . 1 1 90 90 ARG CA C 90 59.900 59.900 59.485 0.415 18812 3615 1 7 . 1 1 90 90 ARG CB C 90 31.700 31.700 30.292 1.408 18812 3616 1 7 . 1 1 90 90 ARG H H 90 8.450 8.450 7.987 0.463 18812 3617 1 7 . 1 1 91 91 VAL N N 91 119.200 119.200 120.058 -0.858 18812 3618 1 7 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.613 -0.183 18812 3619 1 7 . 1 1 91 91 VAL C C 91 177.300 177.300 177.889 -0.589 18812 3620 1 7 . 1 1 91 91 VAL CA C 91 66.800 66.800 66.972 -0.172 18812 3621 1 7 . 1 1 91 91 VAL CB C 91 31.700 31.700 31.490 0.210 18812 3622 1 7 . 1 1 91 91 VAL H H 91 8.140 8.140 8.292 -0.152 18812 3623 1 7 . 1 1 92 92 ALA N N 92 121.100 121.100 120.534 0.566 18812 3624 1 7 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.957 0.003 18812 3625 1 7 . 1 1 92 92 ALA C C 92 179.200 179.200 179.953 -0.753 18812 3626 1 7 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.284 0.616 18812 3627 1 7 . 1 1 92 92 ALA CB C 92 18.400 18.400 17.892 0.508 18812 3628 1 7 . 1 1 92 92 ALA H H 92 9.020 9.020 8.389 0.631 18812 3629 1 7 . 1 1 93 93 SER N N 93 112.100 112.100 114.404 -2.304 18812 3630 1 7 . 1 1 93 93 SER HA H 93 4.240 4.240 4.173 0.067 18812 3631 1 7 . 1 1 93 93 SER C C 93 177.300 177.300 176.914 0.386 18812 3632 1 7 . 1 1 93 93 SER CA C 93 62.000 62.000 61.490 0.510 18812 3633 1 7 . 1 1 93 93 SER CB C 93 62.700 62.700 62.937 -0.237 18812 3634 1 7 . 1 1 93 93 SER H H 93 8.730 8.730 7.971 0.759 18812 3635 1 7 . 1 1 94 94 ARG N N 94 122.500 122.500 120.934 1.566 18812 3636 1 7 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.004 0.256 18812 3637 1 7 . 1 1 94 94 ARG C C 94 179.900 179.900 179.081 0.819 18812 3638 1 7 . 1 1 94 94 ARG CA C 94 57.800 57.800 58.179 -0.379 18812 3639 1 7 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.669 -0.469 18812 3640 1 7 . 1 1 94 94 ARG H H 94 7.520 7.520 7.999 -0.479 18812 3641 1 7 . 1 1 95 95 LEU N N 95 121.500 121.500 116.626 4.874 18812 3642 1 7 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.099 0.141 18812 3643 1 7 . 1 1 95 95 LEU C C 95 179.000 179.000 178.636 0.364 18812 3644 1 7 . 1 1 95 95 LEU CA C 95 58.100 58.100 57.544 0.556 18812 3645 1 7 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.688 1.112 18812 3646 1 7 . 1 1 95 95 LEU H H 95 8.350 8.350 8.071 0.279 18812 3647 1 7 . 1 1 96 96 ALA N N 96 121.900 121.900 121.811 0.089 18812 3648 1 7 . 1 1 96 96 ALA HA H 96 4.320 4.320 3.936 0.384 18812 3649 1 7 . 1 1 96 96 ALA C C 96 182.200 182.200 179.780 2.420 18812 3650 1 7 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.786 0.314 18812 3651 1 7 . 1 1 96 96 ALA CB C 96 18.000 18.000 17.954 0.046 18812 3652 1 7 . 1 1 96 96 ALA H H 96 8.740 8.740 8.062 0.678 18812 3653 1 7 . 1 1 97 97 ALA N N 97 121.400 121.400 119.174 2.226 18812 3654 1 7 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.050 0.180 18812 3655 1 7 . 1 1 97 97 ALA C C 97 179.200 179.200 178.413 0.787 18812 3656 1 7 . 1 1 97 97 ALA CA C 97 54.600 54.600 53.096 1.504 18812 3657 1 7 . 1 1 97 97 ALA CB C 97 18.000 18.000 18.746 -0.746 18812 3658 1 7 . 1 1 97 97 ALA H H 97 8.190 8.190 7.553 0.637 18812 3659 1 7 . 1 1 98 98 GLY N N 98 103.500 103.500 105.043 -1.543 18812 3660 1 7 . 1 1 98 98 GLY C C 98 173.700 173.700 174.900 -1.200 18812 3661 1 7 . 1 1 98 98 GLY CA C 98 44.800 44.800 44.637 0.163 18812 3662 1 7 . 1 1 98 98 GLY H H 98 7.710 7.710 7.746 -0.036 18812 3663 1 7 . 1 1 99 99 GLY N N 99 107.600 107.600 109.662 -2.062 18812 3664 1 7 . 1 1 99 99 GLY CA C 99 45.200 45.200 43.692 1.508 18812 3665 1 7 . 1 1 99 99 GLY H H 99 7.710 7.710 7.217 0.493 18812 3666 1 7 . 1 1 100 100 TRP N N 100 123.600 123.600 123.889 -0.289 18812 3667 1 7 . 1 1 100 100 TRP CB C 100 52.300 52.300 28.649 23.651 18812 3668 1 7 . 1 1 100 100 TRP H H 100 7.820 7.820 7.973 -0.153 18812 3669 1 7 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.490 -0.560 18812 3670 1 7 . 1 1 101 101 PRO C C 101 175.600 175.600 175.684 -0.084 18812 3671 1 7 . 1 1 101 101 PRO CA C 101 62.600 62.600 63.246 -0.646 18812 3672 1 7 . 1 1 101 101 PRO CB C 101 34.200 34.200 32.671 1.529 18812 3673 1 7 . 1 1 102 102 LEU N N 102 122.800 122.800 120.079 2.721 18812 3674 1 7 . 1 1 102 102 LEU H H 102 8.470 8.470 7.660 0.810 18812 3675 1 7 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.746 -0.086 18812 3676 1 7 . 1 1 103 103 ALA C C 103 177.100 177.100 176.535 0.565 18812 3677 1 7 . 1 1 103 103 ALA CA C 103 51.500 51.500 52.132 -0.632 18812 3678 1 7 . 1 1 103 103 ALA CB C 103 21.700 21.700 20.101 1.599 18812 3679 1 7 . 1 1 104 104 GLY N N 104 108.500 108.500 111.601 -3.101 18812 3680 1 7 . 1 1 104 104 GLY C C 104 173.900 173.900 174.075 -0.175 18812 3681 1 7 . 1 1 104 104 GLY CA C 104 45.900 45.900 45.361 0.539 18812 3682 1 7 . 1 1 104 104 GLY H H 104 8.700 8.700 8.356 0.344 18812 3683 1 7 . 1 1 105 105 VAL N N 105 116.700 116.700 120.760 -4.060 18812 3684 1 7 . 1 1 105 105 VAL HA H 105 4.220 4.220 4.087 0.133 18812 3685 1 7 . 1 1 105 105 VAL C C 105 174.700 174.700 174.232 0.468 18812 3686 1 7 . 1 1 105 105 VAL CA C 105 61.000 61.000 62.857 -1.857 18812 3687 1 7 . 1 1 105 105 VAL CB C 105 33.100 33.100 32.297 0.803 18812 3688 1 7 . 1 1 105 105 VAL H H 105 7.660 7.660 8.029 -0.369 18812 3689 1 7 . 1 1 106 106 ASP N N 106 125.100 125.100 123.408 1.692 18812 3690 1 7 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.912 -0.242 18812 3691 1 7 . 1 1 106 106 ASP C C 106 176.500 176.500 174.917 1.583 18812 3692 1 7 . 1 1 106 106 ASP CA C 106 54.000 54.000 53.272 0.728 18812 3693 1 7 . 1 1 106 106 ASP CB C 106 41.300 41.300 42.789 -1.489 18812 3694 1 7 . 1 1 106 106 ASP H H 106 8.600 8.600 8.167 0.433 18812 3695 1 7 . 1 1 107 107 SER N N 107 117.400 117.400 116.128 1.272 18812 3696 1 7 . 1 1 107 107 SER HA H 107 4.320 4.320 4.581 -0.261 18812 3697 1 7 . 1 1 107 107 SER C C 107 175.400 175.400 175.997 -0.597 18812 3698 1 7 . 1 1 107 107 SER CA C 107 59.500 59.500 59.862 -0.362 18812 3699 1 7 . 1 1 107 107 SER CB C 107 63.200 63.200 64.004 -0.804 18812 3700 1 7 . 1 1 107 107 SER H H 107 8.560 8.560 8.554 0.006 18812 3701 1 7 . 1 1 108 108 THR N N 108 115.100 115.100 118.410 -3.310 18812 3702 1 7 . 1 1 108 108 THR HA H 108 4.260 4.260 4.114 0.146 18812 3703 1 7 . 1 1 108 108 THR C C 108 174.800 174.800 176.420 -1.620 18812 3704 1 7 . 1 1 108 108 THR CA C 108 63.000 63.000 64.920 -1.920 18812 3705 1 7 . 1 1 108 108 THR CB C 108 69.300 69.300 68.486 0.814 18812 3706 1 7 . 1 1 108 108 THR H H 108 8.230 8.230 7.709 0.521 18812 3707 1 7 . 1 1 109 109 ALA N N 109 125.000 125.000 122.684 2.316 18812 3708 1 7 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.331 0.029 18812 3709 1 7 . 1 1 109 109 ALA C C 109 177.500 177.500 177.642 -0.142 18812 3710 1 7 . 1 1 109 109 ALA CA C 109 52.500 52.500 53.153 -0.653 18812 3711 1 7 . 1 1 109 109 ALA CB C 109 19.100 19.100 18.399 0.701 18812 3712 1 7 . 1 1 109 109 ALA H H 109 8.020 8.020 8.474 -0.454 18812 3713 1 7 . 1 1 110 110 LEU N N 110 119.400 119.400 117.865 1.535 18812 3714 1 7 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.610 -0.260 18812 3715 1 7 . 1 1 110 110 LEU C C 110 176.800 176.800 175.844 0.956 18812 3716 1 7 . 1 1 110 110 LEU CA C 110 55.000 55.000 54.745 0.255 18812 3717 1 7 . 1 1 110 110 LEU CB C 110 42.000 42.000 42.382 -0.382 18812 3718 1 7 . 1 1 110 110 LEU H H 110 7.880 7.880 7.381 0.499 18812 3719 1 7 . 1 1 111 111 ASN N N 111 118.700 118.700 118.312 0.388 18812 3720 1 7 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.813 -0.083 18812 3721 1 7 . 1 1 111 111 ASN C C 111 173.600 173.600 173.453 0.147 18812 3722 1 7 . 1 1 111 111 ASN CA C 111 52.900 52.900 52.962 -0.062 18812 3723 1 7 . 1 1 111 111 ASN CB C 111 39.000 39.000 39.706 -0.706 18812 3724 1 7 . 1 1 111 111 ASN H H 111 8.230 8.230 7.480 0.750 18812 3725 1 8 . 1 1 10 10 GLY C C 10 174.100 174.100 172.832 1.268 18812 3726 1 8 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.179 0.121 18812 3727 1 8 . 1 1 10 10 GLY H H 10 8.500 8.500 8.736 -0.236 18812 3728 1 8 . 1 1 11 11 THR N N 11 113.700 113.700 119.054 -5.354 18812 3729 1 8 . 1 1 11 11 THR HA H 11 4.350 4.350 4.367 -0.017 18812 3730 1 8 . 1 1 11 11 THR C C 11 174.700 174.700 173.543 1.157 18812 3731 1 8 . 1 1 11 11 THR CA C 11 62.000 62.000 62.747 -0.747 18812 3732 1 8 . 1 1 11 11 THR CB C 11 69.800 69.800 69.262 0.538 18812 3733 1 8 . 1 1 11 11 THR H H 11 8.100 8.100 7.972 0.128 18812 3734 1 8 . 1 1 12 12 LEU N N 12 124.100 124.100 127.920 -3.820 18812 3735 1 8 . 1 1 12 12 LEU C C 12 177.600 177.600 176.203 1.397 18812 3736 1 8 . 1 1 12 12 LEU CA C 12 55.400 55.400 54.565 0.835 18812 3737 1 8 . 1 1 12 12 LEU CB C 12 42.000 42.000 41.601 0.399 18812 3738 1 8 . 1 1 12 12 LEU H H 12 8.380 8.380 8.453 -0.073 18812 3739 1 8 . 1 1 13 13 GLU N N 13 121.500 121.500 125.477 -3.977 18812 3740 1 8 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.551 -0.331 18812 3741 1 8 . 1 1 13 13 GLU C C 13 176.300 176.300 175.386 0.914 18812 3742 1 8 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.023 0.878 18812 3743 1 8 . 1 1 13 13 GLU CB C 13 29.600 29.600 29.909 -0.309 18812 3744 1 8 . 1 1 13 13 GLU H H 13 8.440 8.440 8.655 -0.215 18812 3745 1 8 . 1 1 14 14 ALA N N 14 124.300 124.300 128.052 -3.752 18812 3746 1 8 . 1 1 14 14 ALA CA C 14 52.600 52.600 52.264 0.336 18812 3747 1 8 . 1 1 14 14 ALA CB C 14 19.000 19.000 20.650 -1.650 18812 3748 1 8 . 1 1 14 14 ALA H H 14 8.280 8.280 8.355 -0.075 18812 3749 1 8 . 1 1 15 15 GLN N N 15 118.700 118.700 120.750 -2.050 18812 3750 1 8 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.384 0.016 18812 3751 1 8 . 1 1 15 15 GLN C C 15 176.300 176.300 174.512 1.788 18812 3752 1 8 . 1 1 15 15 GLN CA C 15 55.800 55.800 56.013 -0.213 18812 3753 1 8 . 1 1 15 15 GLN CB C 15 29.300 29.300 31.383 -2.083 18812 3754 1 8 . 1 1 15 15 GLN H H 15 8.360 8.360 8.398 -0.038 18812 3755 1 8 . 1 1 16 16 THR N N 16 114.800 114.800 113.006 1.794 18812 3756 1 8 . 1 1 16 16 THR C C 16 174.400 174.400 173.905 0.495 18812 3757 1 8 . 1 1 16 16 THR CA C 16 62.000 62.000 63.547 -1.546 18812 3758 1 8 . 1 1 16 16 THR CB C 16 69.700 69.700 68.360 1.340 18812 3759 1 8 . 1 1 16 16 THR H H 16 8.200 8.200 8.621 -0.421 18812 3760 1 8 . 1 1 17 17 GLN N N 17 122.200 122.200 119.050 3.150 18812 3761 1 8 . 1 1 17 17 GLN C C 17 175.900 175.900 175.690 0.210 18812 3762 1 8 . 1 1 17 17 GLN CA C 17 55.500 55.500 55.153 0.347 18812 3763 1 8 . 1 1 17 17 GLN CB C 17 29.600 29.600 29.942 -0.342 18812 3764 1 8 . 1 1 17 17 GLN H H 17 8.430 8.430 7.623 0.807 18812 3765 1 8 . 1 1 18 18 GLY N N 18 110.100 110.100 106.335 3.765 18812 3766 1 8 . 1 1 18 18 GLY CA C 18 44.500 44.500 44.123 0.377 18812 3767 1 8 . 1 1 18 18 GLY H H 18 8.360 8.360 8.330 0.030 18812 3768 1 8 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.401 0.059 18812 3769 1 8 . 1 1 19 19 PRO C C 19 177.700 177.700 176.688 1.012 18812 3770 1 8 . 1 1 19 19 PRO CA C 19 63.600 63.600 62.500 1.100 18812 3771 1 8 . 1 1 19 19 PRO CB C 19 31.900 31.900 30.124 1.776 18812 3772 1 8 . 1 1 20 20 GLY N N 20 109.600 109.600 112.450 -2.850 18812 3773 1 8 . 1 1 20 20 GLY C C 20 174.100 174.100 174.562 -0.462 18812 3774 1 8 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.273 -0.073 18812 3775 1 8 . 1 1 20 20 GLY H H 20 8.630 8.630 8.204 0.426 18812 3776 1 8 . 1 1 21 21 SER N N 21 115.300 115.300 114.834 0.466 18812 3777 1 8 . 1 1 21 21 SER HA H 21 4.460 4.460 4.254 0.206 18812 3778 1 8 . 1 1 21 21 SER C C 21 174.100 174.100 173.146 0.954 18812 3779 1 8 . 1 1 21 21 SER CA C 21 58.300 58.300 58.394 -0.094 18812 3780 1 8 . 1 1 21 21 SER CB C 21 63.900 63.900 63.008 0.892 18812 3781 1 8 . 1 1 21 21 SER H H 21 8.150 8.150 7.994 0.156 18812 3782 1 8 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.604 -0.164 18812 3783 1 8 . 1 1 22 22 PRO C C 22 176.800 176.800 176.339 0.461 18812 3784 1 8 . 1 1 22 22 PRO CA C 22 63.100 63.100 62.577 0.523 18812 3785 1 8 . 1 1 22 22 PRO CB C 22 32.100 32.100 32.500 -0.400 18812 3786 1 8 . 1 1 23 23 GLU N N 23 120.900 120.900 119.627 1.273 18812 3787 1 8 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.310 -0.030 18812 3788 1 8 . 1 1 23 23 GLU C C 23 177.000 177.000 177.595 -0.595 18812 3789 1 8 . 1 1 23 23 GLU CA C 23 56.600 56.600 56.891 -0.291 18812 3790 1 8 . 1 1 23 23 GLU CB C 23 30.400 30.400 30.123 0.277 18812 3791 1 8 . 1 1 23 23 GLU H H 23 8.630 8.630 8.548 0.082 18812 3792 1 8 . 1 1 24 24 GLY N N 24 109.800 109.800 109.953 -0.153 18812 3793 1 8 . 1 1 24 24 GLY C C 24 173.600 173.600 173.845 -0.245 18812 3794 1 8 . 1 1 24 24 GLY CA C 24 45.100 45.100 45.643 -0.543 18812 3795 1 8 . 1 1 24 24 GLY H H 24 8.450 8.450 8.840 -0.390 18812 3796 1 8 . 1 1 25 25 VAL N N 25 120.600 120.600 115.219 5.381 18812 3797 1 8 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.743 -0.283 18812 3798 1 8 . 1 1 25 25 VAL CA C 25 59.700 59.700 58.047 1.653 18812 3799 1 8 . 1 1 25 25 VAL CB C 25 32.600 32.600 32.844 -0.244 18812 3800 1 8 . 1 1 25 25 VAL H H 25 7.990 7.990 7.426 0.564 18812 3801 1 8 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.297 0.223 18812 3802 1 8 . 1 1 27 27 PRO C C 27 177.200 177.200 176.169 1.031 18812 3803 1 8 . 1 1 27 27 PRO CA C 27 63.100 63.100 63.072 0.028 18812 3804 1 8 . 1 1 27 27 PRO CB C 27 32.000 32.000 30.932 1.068 18812 3805 1 8 . 1 1 28 28 THR N N 28 113.000 113.000 118.566 -5.566 18812 3806 1 8 . 1 1 28 28 THR HA H 28 4.270 4.270 4.068 0.202 18812 3807 1 8 . 1 1 28 28 THR C C 28 174.400 174.400 174.241 0.159 18812 3808 1 8 . 1 1 28 28 THR CA C 28 62.000 62.000 63.430 -1.430 18812 3809 1 8 . 1 1 28 28 THR CB C 28 69.700 69.700 69.483 0.217 18812 3810 1 8 . 1 1 28 28 THR H H 28 8.160 8.160 7.868 0.292 18812 3811 1 8 . 1 1 29 29 ASP N N 29 122.100 122.100 125.006 -2.906 18812 3812 1 8 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.353 0.227 18812 3813 1 8 . 1 1 29 29 ASP CA C 29 54.300 54.300 57.135 -2.835 18812 3814 1 8 . 1 1 29 29 ASP CB C 29 40.900 40.900 41.380 -0.480 18812 3815 1 8 . 1 1 29 29 ASP H H 29 8.290 8.290 8.835 -0.545 18812 3816 1 8 . 1 1 30 30 ARG N N 30 120.300 120.300 118.109 2.191 18812 3817 1 8 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.480 -0.290 18812 3818 1 8 . 1 1 30 30 ARG C C 30 175.600 175.600 176.423 -0.823 18812 3819 1 8 . 1 1 30 30 ARG CA C 30 56.200 56.200 54.639 1.561 18812 3820 1 8 . 1 1 30 30 ARG CB C 30 30.800 30.800 31.483 -0.683 18812 3821 1 8 . 1 1 30 30 ARG H H 30 8.070 8.070 8.107 -0.037 18812 3822 1 8 . 1 1 31 31 PHE N N 31 120.500 120.500 118.333 2.167 18812 3823 1 8 . 1 1 31 31 PHE CB C 31 38.800 38.800 38.527 0.273 18812 3824 1 8 . 1 1 31 31 PHE H H 31 8.240 8.240 8.575 -0.335 18812 3825 1 8 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.272 0.168 18812 3826 1 8 . 1 1 32 32 PRO C C 32 177.200 177.200 176.112 1.088 18812 3827 1 8 . 1 1 32 32 PRO CA C 32 63.400 63.400 63.961 -0.561 18812 3828 1 8 . 1 1 32 32 PRO CB C 32 31.700 31.700 31.896 -0.196 18812 3829 1 8 . 1 1 33 33 LEU N N 33 121.000 121.000 120.695 0.305 18812 3830 1 8 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.459 -0.129 18812 3831 1 8 . 1 1 33 33 LEU CA C 33 55.600 55.600 54.291 1.309 18812 3832 1 8 . 1 1 33 33 LEU CB C 33 42.100 42.100 42.669 -0.569 18812 3833 1 8 . 1 1 33 33 LEU H H 33 8.290 8.290 7.656 0.634 18812 3834 1 8 . 1 1 34 34 LEU N N 34 122.100 122.100 118.018 4.082 18812 3835 1 8 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.032 0.278 18812 3836 1 8 . 1 1 34 34 LEU C C 34 177.300 177.300 177.062 0.238 18812 3837 1 8 . 1 1 34 34 LEU CA C 34 55.200 55.200 55.730 -0.530 18812 3838 1 8 . 1 1 34 34 LEU CB C 34 41.900 41.900 39.156 2.744 18812 3839 1 8 . 1 1 34 34 LEU H H 34 8.110 8.110 8.558 -0.448 18812 3840 1 8 . 1 1 35 35 ALA N N 35 123.400 123.400 121.716 1.684 18812 3841 1 8 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.200 0.080 18812 3842 1 8 . 1 1 35 35 ALA C C 35 177.600 177.600 176.638 0.962 18812 3843 1 8 . 1 1 35 35 ALA CA C 35 52.700 52.700 53.134 -0.434 18812 3844 1 8 . 1 1 35 35 ALA CB C 35 18.800 18.800 19.518 -0.718 18812 3845 1 8 . 1 1 35 35 ALA H H 35 8.140 8.140 8.125 0.015 18812 3846 1 8 . 1 1 36 36 LEU N N 36 120.000 120.000 115.847 4.153 18812 3847 1 8 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.680 -0.420 18812 3848 1 8 . 1 1 36 36 LEU CA C 36 55.500 55.500 54.135 1.365 18812 3849 1 8 . 1 1 36 36 LEU CB C 36 42.000 42.000 42.544 -0.544 18812 3850 1 8 . 1 1 36 36 LEU H H 36 7.990 7.990 7.344 0.646 18812 3851 1 8 . 1 1 37 37 LEU N N 37 122.700 122.700 122.726 -0.026 18812 3852 1 8 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.676 -0.296 18812 3853 1 8 . 1 1 37 37 LEU C C 37 177.100 177.100 176.501 0.599 18812 3854 1 8 . 1 1 37 37 LEU CA C 37 55.000 55.000 54.829 0.171 18812 3855 1 8 . 1 1 37 37 LEU CB C 37 42.100 42.100 41.476 0.624 18812 3856 1 8 . 1 1 37 37 LEU H H 37 8.190 8.190 8.737 -0.547 18812 3857 1 8 . 1 1 38 38 ARG N N 38 121.600 121.600 120.005 1.595 18812 3858 1 8 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.656 -0.186 18812 3859 1 8 . 1 1 38 38 ARG C C 38 176.200 176.200 175.717 0.483 18812 3860 1 8 . 1 1 38 38 ARG CA C 38 55.100 55.100 54.754 0.346 18812 3861 1 8 . 1 1 38 38 ARG CB C 38 31.200 31.200 32.343 -1.143 18812 3862 1 8 . 1 1 38 38 ARG H H 38 8.040 8.040 7.721 0.319 18812 3863 1 8 . 1 1 39 39 ARG N N 39 123.600 123.600 121.334 2.266 18812 3864 1 8 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.458 -0.088 18812 3865 1 8 . 1 1 39 39 ARG C C 39 175.500 175.500 174.883 0.617 18812 3866 1 8 . 1 1 39 39 ARG CA C 39 56.700 56.700 56.397 0.303 18812 3867 1 8 . 1 1 39 39 ARG CB C 39 31.200 31.200 27.946 3.254 18812 3868 1 8 . 1 1 39 39 ARG H H 39 8.840 8.840 8.753 0.087 18812 3869 1 8 . 1 1 40 40 THR N N 40 113.900 113.900 113.025 0.875 18812 3870 1 8 . 1 1 40 40 THR HA H 40 4.770 4.770 4.621 0.149 18812 3871 1 8 . 1 1 40 40 THR C C 40 175.300 175.300 172.803 2.497 18812 3872 1 8 . 1 1 40 40 THR CA C 40 59.500 59.500 60.346 -0.847 18812 3873 1 8 . 1 1 40 40 THR CB C 40 71.700 71.700 71.155 0.545 18812 3874 1 8 . 1 1 40 40 THR H H 40 8.150 8.150 7.751 0.399 18812 3875 1 8 . 1 1 41 41 LEU N N 41 123.100 123.100 124.707 -1.607 18812 3876 1 8 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.635 -0.165 18812 3877 1 8 . 1 1 41 41 LEU C C 41 179.700 179.700 176.925 2.775 18812 3878 1 8 . 1 1 41 41 LEU CA C 41 54.900 54.900 54.081 0.819 18812 3879 1 8 . 1 1 41 41 LEU CB C 41 43.000 43.000 42.153 0.847 18812 3880 1 8 . 1 1 41 41 LEU H H 41 9.480 9.480 8.648 0.832 18812 3881 1 8 . 1 1 42 42 THR N N 42 115.100 115.100 119.820 -4.720 18812 3882 1 8 . 1 1 42 42 THR HA H 42 4.580 4.580 4.346 0.234 18812 3883 1 8 . 1 1 42 42 THR C C 42 175.400 175.400 175.498 -0.098 18812 3884 1 8 . 1 1 42 42 THR CA C 42 60.900 60.900 61.135 -0.234 18812 3885 1 8 . 1 1 42 42 THR CB C 42 70.600 70.600 70.606 -0.006 18812 3886 1 8 . 1 1 42 42 THR H H 42 8.790 8.790 8.444 0.346 18812 3887 1 8 . 1 1 43 43 GLU N N 43 121.400 121.400 125.071 -3.671 18812 3888 1 8 . 1 1 43 43 GLU HA H 43 4.020 4.020 4.011 0.009 18812 3889 1 8 . 1 1 43 43 GLU C C 43 179.100 179.100 178.629 0.471 18812 3890 1 8 . 1 1 43 43 GLU CA C 43 59.700 59.700 60.245 -0.545 18812 3891 1 8 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.531 -0.631 18812 3892 1 8 . 1 1 43 43 GLU H H 43 9.020 9.020 8.966 0.054 18812 3893 1 8 . 1 1 44 44 GLU N N 44 118.300 118.300 118.524 -0.224 18812 3894 1 8 . 1 1 44 44 GLU HA H 44 4.020 4.020 4.005 0.015 18812 3895 1 8 . 1 1 44 44 GLU C C 44 179.700 179.700 179.211 0.489 18812 3896 1 8 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.761 0.438 18812 3897 1 8 . 1 1 44 44 GLU CB C 44 29.000 29.000 28.921 0.080 18812 3898 1 8 . 1 1 44 44 GLU H H 44 8.810 8.810 8.605 0.205 18812 3899 1 8 . 1 1 45 45 GLN N N 45 119.300 119.300 118.448 0.852 18812 3900 1 8 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.130 0.090 18812 3901 1 8 . 1 1 45 45 GLN C C 45 178.500 178.500 178.563 -0.063 18812 3902 1 8 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.504 -0.204 18812 3903 1 8 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.636 0.565 18812 3904 1 8 . 1 1 45 45 GLN H H 45 7.800 7.800 7.780 0.020 18812 3905 1 8 . 1 1 46 46 VAL N N 46 121.000 121.000 121.589 -0.589 18812 3906 1 8 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.573 -0.173 18812 3907 1 8 . 1 1 46 46 VAL C C 46 177.500 177.500 178.276 -0.776 18812 3908 1 8 . 1 1 46 46 VAL CA C 46 67.600 67.600 66.782 0.817 18812 3909 1 8 . 1 1 46 46 VAL CB C 46 31.300 31.300 31.449 -0.149 18812 3910 1 8 . 1 1 46 46 VAL H H 46 8.420 8.420 8.159 0.261 18812 3911 1 8 . 1 1 47 47 GLN N N 47 115.900 115.900 117.286 -1.386 18812 3912 1 8 . 1 1 47 47 GLN HA H 47 3.890 3.890 3.981 -0.091 18812 3913 1 8 . 1 1 47 47 GLN C C 47 178.500 178.500 178.536 -0.036 18812 3914 1 8 . 1 1 47 47 GLN CA C 47 58.800 58.800 58.416 0.384 18812 3915 1 8 . 1 1 47 47 GLN CB C 47 27.700 27.700 27.814 -0.114 18812 3916 1 8 . 1 1 47 47 GLN H H 47 7.470 7.470 8.674 -1.204 18812 3917 1 8 . 1 1 48 48 GLU N N 48 121.400 121.400 121.463 -0.063 18812 3918 1 8 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.032 0.088 18812 3919 1 8 . 1 1 48 48 GLU C C 48 178.500 178.500 178.947 -0.447 18812 3920 1 8 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.732 -0.432 18812 3921 1 8 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.368 0.432 18812 3922 1 8 . 1 1 48 48 GLU H H 48 7.940 7.940 8.135 -0.195 18812 3923 1 8 . 1 1 49 49 VAL N N 49 120.300 120.300 120.336 -0.036 18812 3924 1 8 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.767 -0.177 18812 3925 1 8 . 1 1 49 49 VAL CA C 49 67.200 67.200 67.219 -0.019 18812 3926 1 8 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.654 -0.154 18812 3927 1 8 . 1 1 49 49 VAL H H 49 8.580 8.580 8.146 0.434 18812 3928 1 8 . 1 1 50 50 VAL N N 50 118.700 118.700 120.204 -1.504 18812 3929 1 8 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.627 -0.407 18812 3930 1 8 . 1 1 50 50 VAL C C 50 178.600 178.600 177.684 0.916 18812 3931 1 8 . 1 1 50 50 VAL CA C 50 67.500 67.500 66.709 0.791 18812 3932 1 8 . 1 1 50 50 VAL CB C 50 31.400 31.400 31.015 0.386 18812 3933 1 8 . 1 1 50 50 VAL H H 50 8.350 8.350 8.076 0.274 18812 3934 1 8 . 1 1 51 51 ALA N N 51 123.200 123.200 121.755 1.445 18812 3935 1 8 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.147 -0.317 18812 3936 1 8 . 1 1 51 51 ALA C C 51 180.100 180.100 179.018 1.082 18812 3937 1 8 . 1 1 51 51 ALA CA C 51 55.300 55.300 54.953 0.347 18812 3938 1 8 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.421 -0.721 18812 3939 1 8 . 1 1 51 51 ALA H H 51 8.320 8.320 7.894 0.426 18812 3940 1 8 . 1 1 52 52 LYS N N 52 117.200 117.200 119.504 -2.304 18812 3941 1 8 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.239 -0.119 18812 3942 1 8 . 1 1 52 52 LYS C C 52 180.200 180.200 178.819 1.381 18812 3943 1 8 . 1 1 52 52 LYS CA C 52 59.200 59.200 59.024 0.176 18812 3944 1 8 . 1 1 52 52 LYS CB C 52 32.700 32.700 33.088 -0.388 18812 3945 1 8 . 1 1 52 52 LYS H H 52 8.170 8.170 7.957 0.213 18812 3946 1 8 . 1 1 53 53 LEU N N 53 118.600 118.600 118.374 0.226 18812 3947 1 8 . 1 1 53 53 LEU HA H 53 3.390 3.390 3.794 -0.404 18812 3948 1 8 . 1 1 53 53 LEU C C 53 176.300 176.300 177.894 -1.594 18812 3949 1 8 . 1 1 53 53 LEU CA C 53 56.300 56.300 56.991 -0.691 18812 3950 1 8 . 1 1 53 53 LEU CB C 53 44.300 44.300 41.758 2.542 18812 3951 1 8 . 1 1 53 53 LEU H H 53 8.170 8.170 8.298 -0.128 18812 3952 1 8 . 1 1 54 54 THR N N 54 103.000 103.000 111.374 -8.374 18812 3953 1 8 . 1 1 54 54 THR HA H 54 3.490 3.490 4.257 -0.767 18812 3954 1 8 . 1 1 54 54 THR C C 54 173.600 173.600 174.956 -1.356 18812 3955 1 8 . 1 1 54 54 THR CA C 54 60.800 60.800 63.053 -2.253 18812 3956 1 8 . 1 1 54 54 THR CB C 54 69.700 69.700 68.651 1.049 18812 3957 1 8 . 1 1 54 54 THR H H 54 6.990 6.990 7.393 -0.403 18812 3958 1 8 . 1 1 55 55 ASP N N 55 126.400 126.400 122.534 3.866 18812 3959 1 8 . 1 1 55 55 ASP HA H 55 4.630 4.630 5.158 -0.528 18812 3960 1 8 . 1 1 55 55 ASP CA C 55 52.600 52.600 51.917 0.683 18812 3961 1 8 . 1 1 55 55 ASP CB C 55 42.200 42.200 41.716 0.484 18812 3962 1 8 . 1 1 55 55 ASP H H 55 6.900 6.900 7.745 -0.845 18812 3963 1 8 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.380 -0.040 18812 3964 1 8 . 1 1 56 56 PRO C C 56 178.500 178.500 178.134 0.366 18812 3965 1 8 . 1 1 56 56 PRO CA C 56 65.100 65.100 64.233 0.868 18812 3966 1 8 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.198 -0.098 18812 3967 1 8 . 1 1 57 57 GLU N N 57 115.700 115.700 119.265 -3.565 18812 3968 1 8 . 1 1 57 57 GLU C C 57 176.300 176.300 177.894 -1.594 18812 3969 1 8 . 1 1 57 57 GLU CA C 57 59.600 59.600 59.481 0.119 18812 3970 1 8 . 1 1 57 57 GLU CB C 57 29.400 29.400 28.568 0.832 18812 3971 1 8 . 1 1 57 57 GLU H H 57 8.640 8.640 8.610 0.030 18812 3972 1 8 . 1 1 58 58 SER N N 58 115.000 115.000 113.694 1.306 18812 3973 1 8 . 1 1 58 58 SER HA H 58 4.260 4.260 4.286 -0.026 18812 3974 1 8 . 1 1 58 58 SER C C 58 177.400 177.400 176.388 1.012 18812 3975 1 8 . 1 1 58 58 SER CA C 58 62.900 62.900 60.997 1.903 18812 3976 1 8 . 1 1 58 58 SER CB C 58 69.300 69.300 63.342 5.958 18812 3977 1 8 . 1 1 58 58 SER H H 58 8.180 8.180 7.768 0.412 18812 3978 1 8 . 1 1 60 60 ALA N N 60 123.000 123.000 122.000 1.000 18812 3979 1 8 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.384 0.246 18812 3980 1 8 . 1 1 60 60 ALA C C 60 180.600 180.600 178.521 2.079 18812 3981 1 8 . 1 1 60 60 ALA CA C 60 53.600 53.600 54.381 -0.781 18812 3982 1 8 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.458 0.742 18812 3983 1 8 . 1 1 60 60 ALA H H 60 8.020 8.020 8.401 -0.381 18812 3984 1 8 . 1 1 61 61 GLN N N 61 114.000 114.000 117.759 -3.759 18812 3985 1 8 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.310 -0.290 18812 3986 1 8 . 1 1 61 61 GLN C C 61 176.900 176.900 177.490 -0.590 18812 3987 1 8 . 1 1 61 61 GLN CA C 61 54.900 54.900 57.021 -2.121 18812 3988 1 8 . 1 1 61 61 GLN CB C 61 28.500 28.500 29.717 -1.217 18812 3989 1 8 . 1 1 61 61 GLN H H 61 7.500 7.500 7.970 -0.470 18812 3990 1 8 . 1 1 62 62 ILE N N 62 123.900 123.900 120.122 3.778 18812 3991 1 8 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.845 -0.065 18812 3992 1 8 . 1 1 62 62 ILE C C 62 176.800 176.800 177.468 -0.668 18812 3993 1 8 . 1 1 62 62 ILE CA C 62 65.900 65.900 64.512 1.388 18812 3994 1 8 . 1 1 62 62 ILE CB C 62 37.700 37.700 38.788 -1.088 18812 3995 1 8 . 1 1 62 62 ILE H H 62 7.240 7.240 8.040 -0.800 18812 3996 1 8 . 1 1 63 63 ASP N N 63 114.100 114.100 116.768 -2.668 18812 3997 1 8 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.774 0.036 18812 3998 1 8 . 1 1 63 63 ASP C C 63 177.500 177.500 176.698 0.802 18812 3999 1 8 . 1 1 63 63 ASP CA C 63 51.700 51.700 54.305 -2.605 18812 4000 1 8 . 1 1 63 63 ASP CB C 63 40.300 40.300 43.169 -2.869 18812 4001 1 8 . 1 1 63 63 ASP H H 63 7.860 7.860 8.224 -0.364 18812 4002 1 8 . 1 1 64 64 GLY N N 64 104.800 104.800 107.534 -2.734 18812 4003 1 8 . 1 1 64 64 GLY C C 64 173.400 173.400 174.093 -0.693 18812 4004 1 8 . 1 1 64 64 GLY CA C 64 45.900 45.900 46.246 -0.346 18812 4005 1 8 . 1 1 64 64 GLY H H 64 7.860 7.860 8.085 -0.225 18812 4006 1 8 . 1 1 65 65 VAL N N 65 117.700 117.700 114.778 2.922 18812 4007 1 8 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.531 -0.031 18812 4008 1 8 . 1 1 65 65 VAL C C 65 173.300 173.300 173.953 -0.653 18812 4009 1 8 . 1 1 65 65 VAL CA C 65 60.100 60.100 60.081 0.019 18812 4010 1 8 . 1 1 65 65 VAL CB C 65 36.100 36.100 34.775 1.325 18812 4011 1 8 . 1 1 65 65 VAL H H 65 7.550 7.550 7.230 0.320 18812 4012 1 8 . 1 1 66 66 VAL N N 66 129.500 129.500 121.526 7.974 18812 4013 1 8 . 1 1 66 66 VAL HA H 66 4.730 4.730 5.053 -0.323 18812 4014 1 8 . 1 1 66 66 VAL C C 66 174.300 174.300 174.466 -0.166 18812 4015 1 8 . 1 1 66 66 VAL CA C 66 61.500 61.500 61.281 0.219 18812 4016 1 8 . 1 1 66 66 VAL CB C 66 31.800 31.800 33.364 -1.564 18812 4017 1 8 . 1 1 66 66 VAL H H 66 8.540 8.540 8.304 0.236 18812 4018 1 8 . 1 1 67 67 SER N N 67 123.500 123.500 122.990 0.510 18812 4019 1 8 . 1 1 67 67 SER HA H 67 5.510 5.510 4.899 0.611 18812 4020 1 8 . 1 1 67 67 SER CA C 67 55.700 55.700 56.811 -1.111 18812 4021 1 8 . 1 1 67 67 SER CB C 67 66.100 66.100 65.694 0.406 18812 4022 1 8 . 1 1 67 67 SER H H 67 9.370 9.370 8.153 1.217 18812 4023 1 8 . 1 1 68 68 LYS C C 68 177.100 177.100 177.716 -0.616 18812 4024 1 8 . 1 1 69 69 ASP N N 69 114.800 114.800 116.066 -1.266 18812 4025 1 8 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.607 -0.157 18812 4026 1 8 . 1 1 69 69 ASP C C 69 178.800 178.800 178.068 0.732 18812 4027 1 8 . 1 1 69 69 ASP CA C 69 56.900 56.900 56.585 0.315 18812 4028 1 8 . 1 1 69 69 ASP CB C 69 40.400 40.400 39.974 0.426 18812 4029 1 8 . 1 1 69 69 ASP H H 69 8.420 8.420 8.555 -0.135 18812 4030 1 8 . 1 1 70 70 GLU N N 70 120.300 120.300 119.482 0.818 18812 4031 1 8 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.227 -0.077 18812 4032 1 8 . 1 1 70 70 GLU C C 70 178.000 178.000 178.639 -0.639 18812 4033 1 8 . 1 1 70 70 GLU CA C 70 59.200 59.200 59.042 0.158 18812 4034 1 8 . 1 1 70 70 GLU CB C 70 28.600 28.600 29.156 -0.556 18812 4035 1 8 . 1 1 70 70 GLU H H 70 7.600 7.600 7.988 -0.388 18812 4036 1 8 . 1 1 71 71 ILE N N 71 119.100 119.100 121.599 -2.499 18812 4037 1 8 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.507 -0.077 18812 4038 1 8 . 1 1 71 71 ILE C C 71 177.300 177.300 178.103 -0.803 18812 4039 1 8 . 1 1 71 71 ILE CA C 71 67.300 67.300 65.191 2.110 18812 4040 1 8 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.689 0.111 18812 4041 1 8 . 1 1 71 71 ILE H H 71 8.050 8.050 7.395 0.655 18812 4042 1 8 . 1 1 72 72 GLU N N 72 116.200 116.200 119.164 -2.964 18812 4043 1 8 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.910 -0.260 18812 4044 1 8 . 1 1 72 72 GLU C C 72 178.000 178.000 179.126 -1.126 18812 4045 1 8 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.871 1.129 18812 4046 1 8 . 1 1 72 72 GLU CB C 72 30.200 30.200 29.150 1.050 18812 4047 1 8 . 1 1 72 72 GLU H H 72 8.460 8.460 7.909 0.551 18812 4048 1 8 . 1 1 73 73 LYS N N 73 118.600 118.600 119.518 -0.918 18812 4049 1 8 . 1 1 73 73 LYS C C 73 179.000 179.000 179.168 -0.168 18812 4050 1 8 . 1 1 73 73 LYS CA C 73 59.400 59.400 59.465 -0.065 18812 4051 1 8 . 1 1 73 73 LYS CB C 73 32.600 32.600 32.488 0.112 18812 4052 1 8 . 1 1 73 73 LYS H H 73 8.020 8.020 7.477 0.543 18812 4053 1 8 . 1 1 74 74 PHE N N 74 118.500 118.500 118.726 -0.226 18812 4054 1 8 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.287 0.033 18812 4055 1 8 . 1 1 74 74 PHE C C 74 179.400 179.400 177.898 1.502 18812 4056 1 8 . 1 1 74 74 PHE CA C 74 61.300 61.300 61.183 0.117 18812 4057 1 8 . 1 1 74 74 PHE CB C 74 38.300 38.300 38.846 -0.546 18812 4058 1 8 . 1 1 74 74 PHE H H 74 8.870 8.870 8.422 0.448 18812 4059 1 8 . 1 1 75 75 ILE N N 75 119.000 119.000 119.587 -0.587 18812 4060 1 8 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.605 0.165 18812 4061 1 8 . 1 1 75 75 ILE C C 75 177.900 177.900 178.255 -0.355 18812 4062 1 8 . 1 1 75 75 ILE CA C 75 66.800 66.800 65.225 1.575 18812 4063 1 8 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.783 0.717 18812 4064 1 8 . 1 1 75 75 ILE H H 75 8.570 8.570 8.380 0.190 18812 4065 1 8 . 1 1 76 76 ALA N N 76 122.200 122.200 121.539 0.661 18812 4066 1 8 . 1 1 76 76 ALA HA H 76 4.570 4.570 3.952 0.618 18812 4067 1 8 . 1 1 76 76 ALA C C 76 181.000 181.000 179.429 1.571 18812 4068 1 8 . 1 1 76 76 ALA CA C 76 54.600 54.600 55.136 -0.536 18812 4069 1 8 . 1 1 76 76 ALA CB C 76 18.400 18.400 17.767 0.633 18812 4070 1 8 . 1 1 76 76 ALA H H 76 8.230 8.230 8.257 -0.027 18812 4071 1 8 . 1 1 77 77 ASP N N 77 117.200 117.200 118.635 -1.435 18812 4072 1 8 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.396 0.044 18812 4073 1 8 . 1 1 77 77 ASP C C 77 177.200 177.200 177.482 -0.282 18812 4074 1 8 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.731 -0.031 18812 4075 1 8 . 1 1 77 77 ASP CB C 77 41.100 41.100 41.098 0.002 18812 4076 1 8 . 1 1 77 77 ASP H H 77 7.900 7.900 7.698 0.202 18812 4077 1 8 . 1 1 78 78 VAL N N 78 118.100 118.100 118.048 0.052 18812 4078 1 8 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.016 -0.046 18812 4079 1 8 . 1 1 78 78 VAL C C 78 177.800 177.800 174.774 3.026 18812 4080 1 8 . 1 1 78 78 VAL CA C 78 64.800 64.800 62.553 2.247 18812 4081 1 8 . 1 1 78 78 VAL CB C 78 32.700 32.700 30.194 2.506 18812 4082 1 8 . 1 1 78 78 VAL H H 78 7.730 7.730 7.604 0.126 18812 4083 1 8 . 1 1 79 79 THR N N 79 109.800 109.800 111.120 -1.320 18812 4084 1 8 . 1 1 79 79 THR HA H 79 4.100 4.100 3.909 0.191 18812 4085 1 8 . 1 1 79 79 THR C C 79 175.700 175.700 174.632 1.068 18812 4086 1 8 . 1 1 79 79 THR CA C 79 69.400 69.400 64.234 5.166 18812 4087 1 8 . 1 1 79 79 THR CB C 79 63.100 63.100 67.698 -4.598 18812 4088 1 8 . 1 1 79 79 THR H H 79 8.830 8.830 7.518 1.312 18812 4089 1 8 . 1 1 80 80 LYS N N 80 115.700 115.700 120.388 -4.688 18812 4090 1 8 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.174 -0.164 18812 4091 1 8 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.560 -1.860 18812 4092 1 8 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.680 -4.280 18812 4093 1 8 . 1 1 80 80 LYS H H 80 8.440 8.440 7.572 0.868 18812 4094 1 8 . 1 1 81 81 ASP N N 81 119.600 119.600 117.239 2.361 18812 4095 1 8 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.276 0.574 18812 4096 1 8 . 1 1 81 81 ASP C C 81 174.400 174.400 175.271 -0.871 18812 4097 1 8 . 1 1 81 81 ASP CA C 81 51.200 51.200 57.056 -5.856 18812 4098 1 8 . 1 1 81 81 ASP CB C 81 44.400 44.400 40.111 4.289 18812 4099 1 8 . 1 1 81 81 ASP H H 81 8.140 8.140 7.900 0.240 18812 4100 1 8 . 1 1 82 82 GLU N N 82 120.500 120.500 121.419 -0.919 18812 4101 1 8 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.791 -0.341 18812 4102 1 8 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.551 0.649 18812 4103 1 8 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.518 -0.618 18812 4104 1 8 . 1 1 82 82 GLU H H 82 8.810 8.810 8.330 0.480 18812 4105 1 8 . 1 1 83 83 PRO HA H 83 4.650 4.650 5.090 -0.440 18812 4106 1 8 . 1 1 83 83 PRO C C 83 176.900 176.900 176.378 0.522 18812 4107 1 8 . 1 1 83 83 PRO CA C 83 62.400 62.400 61.942 0.458 18812 4108 1 8 . 1 1 83 83 PRO CB C 83 32.600 32.600 31.503 1.097 18812 4109 1 8 . 1 1 84 84 THR N N 84 115.300 115.300 119.173 -3.873 18812 4110 1 8 . 1 1 84 84 THR HA H 84 4.590 4.590 4.497 0.093 18812 4111 1 8 . 1 1 84 84 THR C C 84 175.000 175.000 176.139 -1.139 18812 4112 1 8 . 1 1 84 84 THR CA C 84 59.800 59.800 59.894 -0.094 18812 4113 1 8 . 1 1 84 84 THR CB C 84 71.700 71.700 71.088 0.612 18812 4114 1 8 . 1 1 84 84 THR H H 84 9.550 9.550 8.941 0.609 18812 4115 1 8 . 1 1 85 85 ALA N N 85 124.400 124.400 125.719 -1.319 18812 4116 1 8 . 1 1 85 85 ALA HA H 85 4.060 4.060 3.972 0.088 18812 4117 1 8 . 1 1 85 85 ALA C C 85 180.900 180.900 179.193 1.707 18812 4118 1 8 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.696 -0.396 18812 4119 1 8 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.466 -0.466 18812 4120 1 8 . 1 1 85 85 ALA H H 85 8.970 8.970 8.924 0.046 18812 4121 1 8 . 1 1 86 86 GLN N N 86 116.500 116.500 118.206 -1.706 18812 4122 1 8 . 1 1 86 86 GLN HA H 86 4.120 4.120 3.979 0.141 18812 4123 1 8 . 1 1 86 86 GLN CA C 86 58.900 58.900 59.355 -0.454 18812 4124 1 8 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.285 -0.184 18812 4125 1 8 . 1 1 86 86 GLN H H 86 8.680 8.680 8.270 0.410 18812 4126 1 8 . 1 1 87 87 ASP N N 87 122.300 122.300 120.322 1.978 18812 4127 1 8 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.408 0.192 18812 4128 1 8 . 1 1 87 87 ASP C C 87 178.200 178.200 178.809 -0.609 18812 4129 1 8 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.220 0.580 18812 4130 1 8 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.431 -0.730 18812 4131 1 8 . 1 1 87 87 ASP H H 87 7.820 7.820 7.658 0.162 18812 4132 1 8 . 1 1 88 88 ILE N N 88 120.900 120.900 119.870 1.030 18812 4133 1 8 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.683 -0.203 18812 4134 1 8 . 1 1 88 88 ILE C C 88 177.800 177.800 178.089 -0.289 18812 4135 1 8 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.756 1.044 18812 4136 1 8 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.560 0.740 18812 4137 1 8 . 1 1 88 88 ILE H H 88 8.160 8.160 8.270 -0.110 18812 4138 1 8 . 1 1 89 89 SER N N 89 113.200 113.200 115.567 -2.367 18812 4139 1 8 . 1 1 89 89 SER HA H 89 4.240 4.240 4.113 0.127 18812 4140 1 8 . 1 1 89 89 SER C C 89 177.200 177.200 176.794 0.406 18812 4141 1 8 . 1 1 89 89 SER CA C 89 61.700 61.700 61.873 -0.173 18812 4142 1 8 . 1 1 89 89 SER CB C 89 62.700 62.700 62.992 -0.292 18812 4143 1 8 . 1 1 89 89 SER H H 89 7.970 7.970 8.246 -0.276 18812 4144 1 8 . 1 1 90 90 ARG N N 90 123.100 123.100 121.382 1.718 18812 4145 1 8 . 1 1 90 90 ARG HA H 90 4.110 4.110 4.036 0.074 18812 4146 1 8 . 1 1 90 90 ARG CA C 90 59.900 59.900 59.186 0.714 18812 4147 1 8 . 1 1 90 90 ARG CB C 90 31.700 31.700 29.954 1.746 18812 4148 1 8 . 1 1 90 90 ARG H H 90 8.450 8.450 7.999 0.451 18812 4149 1 8 . 1 1 91 91 VAL N N 91 119.200 119.200 119.875 -0.675 18812 4150 1 8 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.578 -0.148 18812 4151 1 8 . 1 1 91 91 VAL C C 91 177.300 177.300 177.852 -0.552 18812 4152 1 8 . 1 1 91 91 VAL CA C 91 66.800 66.800 67.322 -0.521 18812 4153 1 8 . 1 1 91 91 VAL CB C 91 31.700 31.700 31.573 0.127 18812 4154 1 8 . 1 1 91 91 VAL H H 91 8.140 8.140 8.219 -0.079 18812 4155 1 8 . 1 1 92 92 ALA N N 92 121.100 121.100 120.759 0.341 18812 4156 1 8 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.955 0.005 18812 4157 1 8 . 1 1 92 92 ALA C C 92 179.200 179.200 179.870 -0.670 18812 4158 1 8 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.351 0.549 18812 4159 1 8 . 1 1 92 92 ALA CB C 92 18.400 18.400 17.897 0.503 18812 4160 1 8 . 1 1 92 92 ALA H H 92 9.020 9.020 8.383 0.638 18812 4161 1 8 . 1 1 93 93 SER N N 93 112.100 112.100 113.951 -1.851 18812 4162 1 8 . 1 1 93 93 SER HA H 93 4.240 4.240 4.199 0.041 18812 4163 1 8 . 1 1 93 93 SER C C 93 177.300 177.300 176.920 0.380 18812 4164 1 8 . 1 1 93 93 SER CA C 93 62.000 62.000 61.194 0.806 18812 4165 1 8 . 1 1 93 93 SER CB C 93 62.700 62.700 62.914 -0.214 18812 4166 1 8 . 1 1 93 93 SER H H 93 8.730 8.730 8.001 0.729 18812 4167 1 8 . 1 1 94 94 ARG N N 94 122.500 122.500 121.253 1.247 18812 4168 1 8 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.079 0.181 18812 4169 1 8 . 1 1 94 94 ARG C C 94 179.900 179.900 178.961 0.939 18812 4170 1 8 . 1 1 94 94 ARG CA C 94 57.800 57.800 58.036 -0.236 18812 4171 1 8 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.664 -0.464 18812 4172 1 8 . 1 1 94 94 ARG H H 94 7.520 7.520 8.008 -0.488 18812 4173 1 8 . 1 1 95 95 LEU N N 95 121.500 121.500 117.078 4.422 18812 4174 1 8 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.137 0.103 18812 4175 1 8 . 1 1 95 95 LEU C C 95 179.000 179.000 178.528 0.472 18812 4176 1 8 . 1 1 95 95 LEU CA C 95 58.100 58.100 57.796 0.304 18812 4177 1 8 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.817 0.983 18812 4178 1 8 . 1 1 95 95 LEU H H 95 8.350 8.350 8.037 0.313 18812 4179 1 8 . 1 1 96 96 ALA N N 96 121.900 121.900 120.998 0.902 18812 4180 1 8 . 1 1 96 96 ALA HA H 96 4.320 4.320 4.113 0.207 18812 4181 1 8 . 1 1 96 96 ALA C C 96 182.200 182.200 179.214 2.986 18812 4182 1 8 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.364 0.736 18812 4183 1 8 . 1 1 96 96 ALA CB C 96 18.000 18.000 18.478 -0.478 18812 4184 1 8 . 1 1 96 96 ALA H H 96 8.740 8.740 8.078 0.662 18812 4185 1 8 . 1 1 97 97 ALA N N 97 121.400 121.400 120.287 1.113 18812 4186 1 8 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.211 0.019 18812 4187 1 8 . 1 1 97 97 ALA C C 97 179.200 179.200 179.333 -0.133 18812 4188 1 8 . 1 1 97 97 ALA CA C 97 54.600 54.600 53.420 1.180 18812 4189 1 8 . 1 1 97 97 ALA CB C 97 18.000 18.000 18.633 -0.633 18812 4190 1 8 . 1 1 97 97 ALA H H 97 8.190 8.190 7.842 0.348 18812 4191 1 8 . 1 1 98 98 GLY N N 98 103.500 103.500 108.044 -4.544 18812 4192 1 8 . 1 1 98 98 GLY C C 98 173.700 173.700 174.188 -0.488 18812 4193 1 8 . 1 1 98 98 GLY CA C 98 44.800 44.800 44.259 0.541 18812 4194 1 8 . 1 1 98 98 GLY H H 98 7.710 7.710 7.857 -0.147 18812 4195 1 8 . 1 1 99 99 GLY N N 99 107.600 107.600 108.821 -1.221 18812 4196 1 8 . 1 1 99 99 GLY CA C 99 45.200 45.200 44.143 1.057 18812 4197 1 8 . 1 1 99 99 GLY H H 99 7.710 7.710 7.262 0.448 18812 4198 1 8 . 1 1 100 100 TRP N N 100 123.600 123.600 126.961 -3.361 18812 4199 1 8 . 1 1 100 100 TRP CB C 100 52.300 52.300 28.324 23.976 18812 4200 1 8 . 1 1 100 100 TRP H H 100 7.820 7.820 7.921 -0.101 18812 4201 1 8 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.258 -0.328 18812 4202 1 8 . 1 1 101 101 PRO C C 101 175.600 175.600 175.949 -0.349 18812 4203 1 8 . 1 1 101 101 PRO CA C 101 62.600 62.600 63.973 -1.373 18812 4204 1 8 . 1 1 101 101 PRO CB C 101 34.200 34.200 31.260 2.940 18812 4205 1 8 . 1 1 102 102 LEU N N 102 122.800 122.800 121.808 0.992 18812 4206 1 8 . 1 1 102 102 LEU H H 102 8.470 8.470 7.755 0.715 18812 4207 1 8 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.548 0.112 18812 4208 1 8 . 1 1 103 103 ALA C C 103 177.100 177.100 177.195 -0.095 18812 4209 1 8 . 1 1 103 103 ALA CA C 103 51.500 51.500 51.913 -0.413 18812 4210 1 8 . 1 1 103 103 ALA CB C 103 21.700 21.700 18.250 3.450 18812 4211 1 8 . 1 1 104 104 GLY N N 104 108.500 108.500 110.422 -1.922 18812 4212 1 8 . 1 1 104 104 GLY C C 104 173.900 173.900 173.610 0.290 18812 4213 1 8 . 1 1 104 104 GLY CA C 104 45.900 45.900 45.422 0.478 18812 4214 1 8 . 1 1 104 104 GLY H H 104 8.700 8.700 8.455 0.245 18812 4215 1 8 . 1 1 105 105 VAL N N 105 116.700 116.700 119.404 -2.704 18812 4216 1 8 . 1 1 105 105 VAL HA H 105 4.220 4.220 4.208 0.012 18812 4217 1 8 . 1 1 105 105 VAL C C 105 174.700 174.700 173.823 0.877 18812 4218 1 8 . 1 1 105 105 VAL CA C 105 61.000 61.000 61.630 -0.630 18812 4219 1 8 . 1 1 105 105 VAL CB C 105 33.100 33.100 34.297 -1.198 18812 4220 1 8 . 1 1 105 105 VAL H H 105 7.660 7.660 7.717 -0.057 18812 4221 1 8 . 1 1 106 106 ASP N N 106 125.100 125.100 126.706 -1.606 18812 4222 1 8 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.862 -0.192 18812 4223 1 8 . 1 1 106 106 ASP C C 106 176.500 176.500 177.150 -0.650 18812 4224 1 8 . 1 1 106 106 ASP CA C 106 54.000 54.000 53.998 0.002 18812 4225 1 8 . 1 1 106 106 ASP CB C 106 41.300 41.300 41.679 -0.379 18812 4226 1 8 . 1 1 106 106 ASP H H 106 8.600 8.600 8.460 0.140 18812 4227 1 8 . 1 1 107 107 SER N N 107 117.400 117.400 118.496 -1.096 18812 4228 1 8 . 1 1 107 107 SER HA H 107 4.320 4.320 4.203 0.117 18812 4229 1 8 . 1 1 107 107 SER C C 107 175.400 175.400 175.974 -0.574 18812 4230 1 8 . 1 1 107 107 SER CA C 107 59.500 59.500 61.354 -1.854 18812 4231 1 8 . 1 1 107 107 SER CB C 107 63.200 63.200 63.132 0.068 18812 4232 1 8 . 1 1 107 107 SER H H 107 8.560 8.560 8.837 -0.277 18812 4233 1 8 . 1 1 108 108 THR N N 108 115.100 115.100 118.904 -3.804 18812 4234 1 8 . 1 1 108 108 THR HA H 108 4.260 4.260 4.136 0.124 18812 4235 1 8 . 1 1 108 108 THR C C 108 174.800 174.800 175.433 -0.633 18812 4236 1 8 . 1 1 108 108 THR CA C 108 63.000 63.000 65.306 -2.306 18812 4237 1 8 . 1 1 108 108 THR CB C 108 69.300 69.300 68.322 0.978 18812 4238 1 8 . 1 1 108 108 THR H H 108 8.230 8.230 8.149 0.081 18812 4239 1 8 . 1 1 109 109 ALA N N 109 125.000 125.000 122.478 2.522 18812 4240 1 8 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.247 0.113 18812 4241 1 8 . 1 1 109 109 ALA C C 109 177.500 177.500 177.497 0.003 18812 4242 1 8 . 1 1 109 109 ALA CA C 109 52.500 52.500 52.996 -0.496 18812 4243 1 8 . 1 1 109 109 ALA CB C 109 19.100 19.100 18.361 0.739 18812 4244 1 8 . 1 1 109 109 ALA H H 109 8.020 8.020 7.673 0.346 18812 4245 1 8 . 1 1 110 110 LEU N N 110 119.400 119.400 116.597 2.803 18812 4246 1 8 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.332 0.018 18812 4247 1 8 . 1 1 110 110 LEU C C 110 176.800 176.800 175.826 0.974 18812 4248 1 8 . 1 1 110 110 LEU CA C 110 55.000 55.000 54.537 0.463 18812 4249 1 8 . 1 1 110 110 LEU CB C 110 42.000 42.000 41.396 0.604 18812 4250 1 8 . 1 1 110 110 LEU H H 110 7.880 7.880 7.295 0.585 18812 4251 1 8 . 1 1 111 111 ASN N N 111 118.700 118.700 117.714 0.986 18812 4252 1 8 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.746 -0.016 18812 4253 1 8 . 1 1 111 111 ASN C C 111 173.600 173.600 173.582 0.018 18812 4254 1 8 . 1 1 111 111 ASN CA C 111 52.900 52.900 52.576 0.324 18812 4255 1 8 . 1 1 111 111 ASN CB C 111 39.000 39.000 39.983 -0.983 18812 4256 1 8 . 1 1 111 111 ASN H H 111 8.230 8.230 7.446 0.784 18812 4257 1 9 . 1 1 10 10 GLY C C 10 174.100 174.100 172.858 1.242 18812 4258 1 9 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.173 0.126 18812 4259 1 9 . 1 1 10 10 GLY H H 10 8.500 8.500 8.318 0.182 18812 4260 1 9 . 1 1 11 11 THR N N 11 113.700 113.700 112.997 0.703 18812 4261 1 9 . 1 1 11 11 THR HA H 11 4.350 4.350 5.002 -0.652 18812 4262 1 9 . 1 1 11 11 THR C C 11 174.700 174.700 172.677 2.023 18812 4263 1 9 . 1 1 11 11 THR CA C 11 62.000 62.000 61.758 0.242 18812 4264 1 9 . 1 1 11 11 THR CB C 11 69.800 69.800 70.252 -0.452 18812 4265 1 9 . 1 1 11 11 THR H H 11 8.100 8.100 8.644 -0.544 18812 4266 1 9 . 1 1 12 12 LEU N N 12 124.100 124.100 120.919 3.181 18812 4267 1 9 . 1 1 12 12 LEU C C 12 177.600 177.600 175.759 1.841 18812 4268 1 9 . 1 1 12 12 LEU CA C 12 55.400 55.400 54.178 1.222 18812 4269 1 9 . 1 1 12 12 LEU CB C 12 42.000 42.000 44.391 -2.391 18812 4270 1 9 . 1 1 12 12 LEU H H 12 8.380 8.380 8.775 -0.395 18812 4271 1 9 . 1 1 13 13 GLU N N 13 121.500 121.500 119.932 1.568 18812 4272 1 9 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.327 -0.107 18812 4273 1 9 . 1 1 13 13 GLU C C 13 176.300 176.300 176.337 -0.037 18812 4274 1 9 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.175 0.725 18812 4275 1 9 . 1 1 13 13 GLU CB C 13 29.600 29.600 30.543 -0.943 18812 4276 1 9 . 1 1 13 13 GLU H H 13 8.440 8.440 8.647 -0.207 18812 4277 1 9 . 1 1 14 14 ALA N N 14 124.300 124.300 123.524 0.776 18812 4278 1 9 . 1 1 14 14 ALA CA C 14 52.600 52.600 52.943 -0.343 18812 4279 1 9 . 1 1 14 14 ALA CB C 14 19.000 19.000 17.834 1.166 18812 4280 1 9 . 1 1 14 14 ALA H H 14 8.280 8.280 8.233 0.047 18812 4281 1 9 . 1 1 15 15 GLN N N 15 118.700 118.700 122.927 -4.227 18812 4282 1 9 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.356 0.044 18812 4283 1 9 . 1 1 15 15 GLN C C 15 176.300 176.300 174.995 1.305 18812 4284 1 9 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.603 0.197 18812 4285 1 9 . 1 1 15 15 GLN CB C 15 29.300 29.300 29.783 -0.483 18812 4286 1 9 . 1 1 15 15 GLN H H 15 8.360 8.360 8.739 -0.379 18812 4287 1 9 . 1 1 16 16 THR N N 16 114.800 114.800 116.226 -1.426 18812 4288 1 9 . 1 1 16 16 THR C C 16 174.400 174.400 174.500 -0.100 18812 4289 1 9 . 1 1 16 16 THR CA C 16 62.000 62.000 62.744 -0.744 18812 4290 1 9 . 1 1 16 16 THR CB C 16 69.700 69.700 69.323 0.377 18812 4291 1 9 . 1 1 16 16 THR H H 16 8.200 8.200 7.804 0.396 18812 4292 1 9 . 1 1 17 17 GLN N N 17 122.200 122.200 126.522 -4.322 18812 4293 1 9 . 1 1 17 17 GLN C C 17 175.900 175.900 175.232 0.668 18812 4294 1 9 . 1 1 17 17 GLN CA C 17 55.500 55.500 55.131 0.369 18812 4295 1 9 . 1 1 17 17 GLN CB C 17 29.600 29.600 29.333 0.267 18812 4296 1 9 . 1 1 17 17 GLN H H 17 8.430 8.430 8.455 -0.025 18812 4297 1 9 . 1 1 18 18 GLY N N 18 110.100 110.100 113.844 -3.744 18812 4298 1 9 . 1 1 18 18 GLY CA C 18 44.500 44.500 44.587 -0.087 18812 4299 1 9 . 1 1 18 18 GLY H H 18 8.360 8.360 8.068 0.292 18812 4300 1 9 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.430 0.030 18812 4301 1 9 . 1 1 19 19 PRO C C 19 177.700 177.700 177.515 0.185 18812 4302 1 9 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.794 -0.194 18812 4303 1 9 . 1 1 19 19 PRO CB C 19 31.900 31.900 31.882 0.018 18812 4304 1 9 . 1 1 20 20 GLY N N 20 109.600 109.600 106.111 3.489 18812 4305 1 9 . 1 1 20 20 GLY C C 20 174.100 174.100 175.430 -1.330 18812 4306 1 9 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.715 -0.515 18812 4307 1 9 . 1 1 20 20 GLY H H 20 8.630 8.630 8.648 -0.018 18812 4308 1 9 . 1 1 21 21 SER N N 21 115.300 115.300 116.450 -1.150 18812 4309 1 9 . 1 1 21 21 SER HA H 21 4.460 4.460 4.542 -0.082 18812 4310 1 9 . 1 1 21 21 SER C C 21 174.100 174.100 173.989 0.111 18812 4311 1 9 . 1 1 21 21 SER CA C 21 58.300 58.300 59.166 -0.866 18812 4312 1 9 . 1 1 21 21 SER CB C 21 63.900 63.900 62.498 1.402 18812 4313 1 9 . 1 1 21 21 SER H H 21 8.150 8.150 8.444 -0.294 18812 4314 1 9 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.686 -0.246 18812 4315 1 9 . 1 1 22 22 PRO C C 22 176.800 176.800 175.583 1.217 18812 4316 1 9 . 1 1 22 22 PRO CA C 22 63.100 63.100 61.916 1.184 18812 4317 1 9 . 1 1 22 22 PRO CB C 22 32.100 32.100 30.336 1.764 18812 4318 1 9 . 1 1 23 23 GLU N N 23 120.900 120.900 120.167 0.733 18812 4319 1 9 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.350 -0.070 18812 4320 1 9 . 1 1 23 23 GLU C C 23 177.000 177.000 177.632 -0.632 18812 4321 1 9 . 1 1 23 23 GLU CA C 23 56.600 56.600 55.661 0.939 18812 4322 1 9 . 1 1 23 23 GLU CB C 23 30.400 30.400 29.721 0.679 18812 4323 1 9 . 1 1 23 23 GLU H H 23 8.630 8.630 7.724 0.906 18812 4324 1 9 . 1 1 24 24 GLY N N 24 109.800 109.800 109.421 0.379 18812 4325 1 9 . 1 1 24 24 GLY C C 24 173.600 173.600 174.041 -0.441 18812 4326 1 9 . 1 1 24 24 GLY CA C 24 45.100 45.100 45.166 -0.066 18812 4327 1 9 . 1 1 24 24 GLY H H 24 8.450 8.450 8.807 -0.357 18812 4328 1 9 . 1 1 25 25 VAL N N 25 120.600 120.600 118.711 1.889 18812 4329 1 9 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.553 -0.093 18812 4330 1 9 . 1 1 25 25 VAL CA C 25 59.700 59.700 58.996 0.704 18812 4331 1 9 . 1 1 25 25 VAL CB C 25 32.600 32.600 32.696 -0.096 18812 4332 1 9 . 1 1 25 25 VAL H H 25 7.990 7.990 7.386 0.604 18812 4333 1 9 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.398 0.122 18812 4334 1 9 . 1 1 27 27 PRO C C 27 177.200 177.200 176.675 0.525 18812 4335 1 9 . 1 1 27 27 PRO CA C 27 63.100 63.100 63.657 -0.557 18812 4336 1 9 . 1 1 27 27 PRO CB C 27 32.000 32.000 31.991 0.009 18812 4337 1 9 . 1 1 28 28 THR N N 28 113.000 113.000 114.658 -1.658 18812 4338 1 9 . 1 1 28 28 THR HA H 28 4.270 4.270 4.308 -0.038 18812 4339 1 9 . 1 1 28 28 THR C C 28 174.400 174.400 175.289 -0.889 18812 4340 1 9 . 1 1 28 28 THR CA C 28 62.000 62.000 61.363 0.637 18812 4341 1 9 . 1 1 28 28 THR CB C 28 69.700 69.700 69.607 0.093 18812 4342 1 9 . 1 1 28 28 THR H H 28 8.160 8.160 8.189 -0.029 18812 4343 1 9 . 1 1 29 29 ASP N N 29 122.100 122.100 124.912 -2.812 18812 4344 1 9 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.333 0.247 18812 4345 1 9 . 1 1 29 29 ASP CA C 29 54.300 54.300 55.190 -0.890 18812 4346 1 9 . 1 1 29 29 ASP CB C 29 40.900 40.900 40.797 0.103 18812 4347 1 9 . 1 1 29 29 ASP H H 29 8.290 8.290 8.722 -0.432 18812 4348 1 9 . 1 1 30 30 ARG N N 30 120.300 120.300 120.250 0.050 18812 4349 1 9 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.145 0.045 18812 4350 1 9 . 1 1 30 30 ARG C C 30 175.600 175.600 176.522 -0.922 18812 4351 1 9 . 1 1 30 30 ARG CA C 30 56.200 56.200 55.603 0.597 18812 4352 1 9 . 1 1 30 30 ARG CB C 30 30.800 30.800 30.591 0.209 18812 4353 1 9 . 1 1 30 30 ARG H H 30 8.070 8.070 7.653 0.417 18812 4354 1 9 . 1 1 31 31 PHE N N 31 120.500 120.500 118.924 1.576 18812 4355 1 9 . 1 1 31 31 PHE CB C 31 38.800 38.800 38.527 0.273 18812 4356 1 9 . 1 1 31 31 PHE H H 31 8.240 8.240 8.408 -0.168 18812 4357 1 9 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.501 -0.061 18812 4358 1 9 . 1 1 32 32 PRO C C 32 177.200 177.200 175.384 1.816 18812 4359 1 9 . 1 1 32 32 PRO CA C 32 63.400 63.400 62.894 0.506 18812 4360 1 9 . 1 1 32 32 PRO CB C 32 31.700 31.700 30.883 0.817 18812 4361 1 9 . 1 1 33 33 LEU N N 33 121.000 121.000 120.565 0.435 18812 4362 1 9 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.621 -0.291 18812 4363 1 9 . 1 1 33 33 LEU CA C 33 55.600 55.600 53.890 1.710 18812 4364 1 9 . 1 1 33 33 LEU CB C 33 42.100 42.100 44.518 -2.418 18812 4365 1 9 . 1 1 33 33 LEU H H 33 8.290 8.290 7.585 0.705 18812 4366 1 9 . 1 1 34 34 LEU N N 34 122.100 122.100 122.096 0.004 18812 4367 1 9 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.506 -0.196 18812 4368 1 9 . 1 1 34 34 LEU C C 34 177.300 177.300 177.826 -0.526 18812 4369 1 9 . 1 1 34 34 LEU CA C 34 55.200 55.200 54.245 0.956 18812 4370 1 9 . 1 1 34 34 LEU CB C 34 41.900 41.900 41.825 0.075 18812 4371 1 9 . 1 1 34 34 LEU H H 34 8.110 8.110 8.540 -0.430 18812 4372 1 9 . 1 1 35 35 ALA N N 35 123.400 123.400 122.268 1.132 18812 4373 1 9 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.282 -0.002 18812 4374 1 9 . 1 1 35 35 ALA C C 35 177.600 177.600 177.112 0.488 18812 4375 1 9 . 1 1 35 35 ALA CA C 35 52.700 52.700 52.562 0.138 18812 4376 1 9 . 1 1 35 35 ALA CB C 35 18.800 18.800 17.270 1.530 18812 4377 1 9 . 1 1 35 35 ALA H H 35 8.140 8.140 8.353 -0.213 18812 4378 1 9 . 1 1 36 36 LEU N N 36 120.000 120.000 122.123 -2.123 18812 4379 1 9 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.652 -0.392 18812 4380 1 9 . 1 1 36 36 LEU CA C 36 55.500 55.500 55.355 0.145 18812 4381 1 9 . 1 1 36 36 LEU CB C 36 42.000 42.000 43.152 -1.152 18812 4382 1 9 . 1 1 36 36 LEU H H 36 7.990 7.990 8.184 -0.194 18812 4383 1 9 . 1 1 37 37 LEU N N 37 122.700 122.700 120.250 2.450 18812 4384 1 9 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.613 -0.233 18812 4385 1 9 . 1 1 37 37 LEU C C 37 177.100 177.100 175.335 1.765 18812 4386 1 9 . 1 1 37 37 LEU CA C 37 55.000 55.000 55.314 -0.314 18812 4387 1 9 . 1 1 37 37 LEU CB C 37 42.100 42.100 42.971 -0.871 18812 4388 1 9 . 1 1 37 37 LEU H H 37 8.190 8.190 8.141 0.049 18812 4389 1 9 . 1 1 38 38 ARG N N 38 121.600 121.600 124.672 -3.072 18812 4390 1 9 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.719 -0.249 18812 4391 1 9 . 1 1 38 38 ARG C C 38 176.200 176.200 175.671 0.529 18812 4392 1 9 . 1 1 38 38 ARG CA C 38 55.100 55.100 54.693 0.407 18812 4393 1 9 . 1 1 38 38 ARG CB C 38 31.200 31.200 32.235 -1.035 18812 4394 1 9 . 1 1 38 38 ARG H H 38 8.040 8.040 8.156 -0.116 18812 4395 1 9 . 1 1 39 39 ARG N N 39 123.600 123.600 119.327 4.273 18812 4396 1 9 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.303 0.067 18812 4397 1 9 . 1 1 39 39 ARG C C 39 175.500 175.500 176.678 -1.178 18812 4398 1 9 . 1 1 39 39 ARG CA C 39 56.700 56.700 57.214 -0.513 18812 4399 1 9 . 1 1 39 39 ARG CB C 39 31.200 31.200 30.788 0.412 18812 4400 1 9 . 1 1 39 39 ARG H H 39 8.840 8.840 8.444 0.396 18812 4401 1 9 . 1 1 40 40 THR N N 40 113.900 113.900 114.220 -0.320 18812 4402 1 9 . 1 1 40 40 THR HA H 40 4.770 4.770 4.281 0.489 18812 4403 1 9 . 1 1 40 40 THR C C 40 175.300 175.300 174.038 1.262 18812 4404 1 9 . 1 1 40 40 THR CA C 40 59.500 59.500 62.151 -2.651 18812 4405 1 9 . 1 1 40 40 THR CB C 40 71.700 71.700 69.630 2.070 18812 4406 1 9 . 1 1 40 40 THR H H 40 8.150 8.150 7.654 0.496 18812 4407 1 9 . 1 1 41 41 LEU N N 41 123.100 123.100 127.306 -4.206 18812 4408 1 9 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.616 -0.146 18812 4409 1 9 . 1 1 41 41 LEU C C 41 179.700 179.700 176.660 3.040 18812 4410 1 9 . 1 1 41 41 LEU CA C 41 54.900 54.900 53.913 0.987 18812 4411 1 9 . 1 1 41 41 LEU CB C 41 43.000 43.000 41.396 1.604 18812 4412 1 9 . 1 1 41 41 LEU H H 41 9.480 9.480 8.733 0.747 18812 4413 1 9 . 1 1 42 42 THR N N 42 115.100 115.100 118.447 -3.347 18812 4414 1 9 . 1 1 42 42 THR HA H 42 4.580 4.580 4.237 0.343 18812 4415 1 9 . 1 1 42 42 THR C C 42 175.400 175.400 175.662 -0.262 18812 4416 1 9 . 1 1 42 42 THR CA C 42 60.900 60.900 61.470 -0.570 18812 4417 1 9 . 1 1 42 42 THR CB C 42 70.600 70.600 71.018 -0.418 18812 4418 1 9 . 1 1 42 42 THR H H 42 8.790 8.790 8.173 0.617 18812 4419 1 9 . 1 1 43 43 GLU N N 43 121.400 121.400 123.527 -2.127 18812 4420 1 9 . 1 1 43 43 GLU HA H 43 4.020 4.020 3.985 0.035 18812 4421 1 9 . 1 1 43 43 GLU C C 43 179.100 179.100 178.277 0.823 18812 4422 1 9 . 1 1 43 43 GLU CA C 43 59.700 59.700 59.955 -0.255 18812 4423 1 9 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.603 -0.703 18812 4424 1 9 . 1 1 43 43 GLU H H 43 9.020 9.020 9.012 0.008 18812 4425 1 9 . 1 1 44 44 GLU N N 44 118.300 118.300 118.560 -0.260 18812 4426 1 9 . 1 1 44 44 GLU HA H 44 4.020 4.020 4.001 0.019 18812 4427 1 9 . 1 1 44 44 GLU C C 44 179.700 179.700 179.070 0.630 18812 4428 1 9 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.214 0.986 18812 4429 1 9 . 1 1 44 44 GLU CB C 44 29.000 29.000 29.307 -0.307 18812 4430 1 9 . 1 1 44 44 GLU H H 44 8.810 8.810 7.981 0.829 18812 4431 1 9 . 1 1 45 45 GLN N N 45 119.300 119.300 118.380 0.920 18812 4432 1 9 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.125 0.096 18812 4433 1 9 . 1 1 45 45 GLN C C 45 178.500 178.500 178.665 -0.165 18812 4434 1 9 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.480 -0.180 18812 4435 1 9 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.251 0.949 18812 4436 1 9 . 1 1 45 45 GLN H H 45 7.800 7.800 7.742 0.058 18812 4437 1 9 . 1 1 46 46 VAL N N 46 121.000 121.000 121.235 -0.235 18812 4438 1 9 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.658 -0.258 18812 4439 1 9 . 1 1 46 46 VAL C C 46 177.500 177.500 178.343 -0.843 18812 4440 1 9 . 1 1 46 46 VAL CA C 46 67.600 67.600 67.034 0.566 18812 4441 1 9 . 1 1 46 46 VAL CB C 46 31.300 31.300 31.182 0.118 18812 4442 1 9 . 1 1 46 46 VAL H H 46 8.420 8.420 8.333 0.087 18812 4443 1 9 . 1 1 47 47 GLN N N 47 115.900 115.900 117.729 -1.829 18812 4444 1 9 . 1 1 47 47 GLN HA H 47 3.890 3.890 3.972 -0.082 18812 4445 1 9 . 1 1 47 47 GLN C C 47 178.500 178.500 178.431 0.069 18812 4446 1 9 . 1 1 47 47 GLN CA C 47 58.800 58.800 58.577 0.223 18812 4447 1 9 . 1 1 47 47 GLN CB C 47 27.700 27.700 28.049 -0.349 18812 4448 1 9 . 1 1 47 47 GLN H H 47 7.470 7.470 8.481 -1.011 18812 4449 1 9 . 1 1 48 48 GLU N N 48 121.400 121.400 121.210 0.190 18812 4450 1 9 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.056 0.064 18812 4451 1 9 . 1 1 48 48 GLU C C 48 178.500 178.500 178.776 -0.276 18812 4452 1 9 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.690 -0.390 18812 4453 1 9 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.412 0.388 18812 4454 1 9 . 1 1 48 48 GLU H H 48 7.940 7.940 8.041 -0.101 18812 4455 1 9 . 1 1 49 49 VAL N N 49 120.300 120.300 120.065 0.235 18812 4456 1 9 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.806 -0.216 18812 4457 1 9 . 1 1 49 49 VAL CA C 49 67.200 67.200 67.263 -0.063 18812 4458 1 9 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.648 -0.148 18812 4459 1 9 . 1 1 49 49 VAL H H 49 8.580 8.580 8.325 0.255 18812 4460 1 9 . 1 1 50 50 VAL N N 50 118.700 118.700 117.479 1.221 18812 4461 1 9 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.748 -0.528 18812 4462 1 9 . 1 1 50 50 VAL C C 50 178.600 178.600 177.584 1.016 18812 4463 1 9 . 1 1 50 50 VAL CA C 50 67.500 67.500 65.573 1.927 18812 4464 1 9 . 1 1 50 50 VAL CB C 50 31.400 31.400 30.465 0.935 18812 4465 1 9 . 1 1 50 50 VAL H H 50 8.350 8.350 8.141 0.209 18812 4466 1 9 . 1 1 51 51 ALA N N 51 123.200 123.200 123.449 -0.249 18812 4467 1 9 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.071 -0.241 18812 4468 1 9 . 1 1 51 51 ALA C C 51 180.100 180.100 179.023 1.077 18812 4469 1 9 . 1 1 51 51 ALA CA C 51 55.300 55.300 54.980 0.320 18812 4470 1 9 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.330 -0.630 18812 4471 1 9 . 1 1 51 51 ALA H H 51 8.320 8.320 7.827 0.493 18812 4472 1 9 . 1 1 52 52 LYS N N 52 117.200 117.200 118.158 -0.958 18812 4473 1 9 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.323 -0.203 18812 4474 1 9 . 1 1 52 52 LYS C C 52 180.200 180.200 179.199 1.001 18812 4475 1 9 . 1 1 52 52 LYS CA C 52 59.200 59.200 58.305 0.895 18812 4476 1 9 . 1 1 52 52 LYS CB C 52 32.700 32.700 33.285 -0.585 18812 4477 1 9 . 1 1 52 52 LYS H H 52 8.170 8.170 7.851 0.319 18812 4478 1 9 . 1 1 53 53 LEU N N 53 118.600 118.600 121.206 -2.606 18812 4479 1 9 . 1 1 53 53 LEU HA H 53 3.390 3.390 3.468 -0.078 18812 4480 1 9 . 1 1 53 53 LEU C C 53 176.300 176.300 177.637 -1.337 18812 4481 1 9 . 1 1 53 53 LEU CA C 53 56.300 56.300 57.346 -1.046 18812 4482 1 9 . 1 1 53 53 LEU CB C 53 44.300 44.300 41.063 3.237 18812 4483 1 9 . 1 1 53 53 LEU H H 53 8.170 8.170 8.383 -0.213 18812 4484 1 9 . 1 1 54 54 THR N N 54 103.000 103.000 110.849 -7.849 18812 4485 1 9 . 1 1 54 54 THR HA H 54 3.490 3.490 4.196 -0.706 18812 4486 1 9 . 1 1 54 54 THR C C 54 173.600 173.600 174.273 -0.673 18812 4487 1 9 . 1 1 54 54 THR CA C 54 60.800 60.800 62.967 -2.167 18812 4488 1 9 . 1 1 54 54 THR CB C 54 69.700 69.700 68.855 0.845 18812 4489 1 9 . 1 1 54 54 THR H H 54 6.990 6.990 7.671 -0.681 18812 4490 1 9 . 1 1 55 55 ASP N N 55 126.400 126.400 122.131 4.269 18812 4491 1 9 . 1 1 55 55 ASP HA H 55 4.630 4.630 4.995 -0.365 18812 4492 1 9 . 1 1 55 55 ASP CA C 55 52.600 52.600 50.528 2.072 18812 4493 1 9 . 1 1 55 55 ASP CB C 55 42.200 42.200 42.177 0.023 18812 4494 1 9 . 1 1 55 55 ASP H H 55 6.900 6.900 7.703 -0.803 18812 4495 1 9 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.386 -0.046 18812 4496 1 9 . 1 1 56 56 PRO C C 56 178.500 178.500 177.459 1.041 18812 4497 1 9 . 1 1 56 56 PRO CA C 56 65.100 65.100 64.187 0.913 18812 4498 1 9 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.133 -0.033 18812 4499 1 9 . 1 1 57 57 GLU N N 57 115.700 115.700 118.340 -2.640 18812 4500 1 9 . 1 1 57 57 GLU C C 57 176.300 176.300 177.955 -1.655 18812 4501 1 9 . 1 1 57 57 GLU CA C 57 59.600 59.600 58.145 1.455 18812 4502 1 9 . 1 1 57 57 GLU CB C 57 29.400 29.400 29.374 0.026 18812 4503 1 9 . 1 1 57 57 GLU H H 57 8.640 8.640 8.276 0.364 18812 4504 1 9 . 1 1 58 58 SER N N 58 115.000 115.000 115.470 -0.470 18812 4505 1 9 . 1 1 58 58 SER HA H 58 4.260 4.260 4.295 -0.035 18812 4506 1 9 . 1 1 58 58 SER C C 58 177.400 177.400 176.959 0.441 18812 4507 1 9 . 1 1 58 58 SER CA C 58 62.900 62.900 61.857 1.043 18812 4508 1 9 . 1 1 58 58 SER CB C 58 69.300 69.300 62.825 6.474 18812 4509 1 9 . 1 1 58 58 SER H H 58 8.180 8.180 8.179 0.001 18812 4510 1 9 . 1 1 60 60 ALA N N 60 123.000 123.000 123.199 -0.199 18812 4511 1 9 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.308 0.322 18812 4512 1 9 . 1 1 60 60 ALA C C 60 180.600 180.600 179.305 1.295 18812 4513 1 9 . 1 1 60 60 ALA CA C 60 53.600 53.600 54.872 -1.272 18812 4514 1 9 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.440 0.760 18812 4515 1 9 . 1 1 60 60 ALA H H 60 8.020 8.020 7.546 0.474 18812 4516 1 9 . 1 1 61 61 GLN N N 61 114.000 114.000 116.196 -2.196 18812 4517 1 9 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.191 -0.171 18812 4518 1 9 . 1 1 61 61 GLN C C 61 176.900 176.900 177.533 -0.633 18812 4519 1 9 . 1 1 61 61 GLN CA C 61 54.900 54.900 57.526 -2.626 18812 4520 1 9 . 1 1 61 61 GLN CB C 61 28.500 28.500 28.542 -0.042 18812 4521 1 9 . 1 1 61 61 GLN H H 61 7.500 7.500 7.839 -0.339 18812 4522 1 9 . 1 1 62 62 ILE N N 62 123.900 123.900 119.888 4.012 18812 4523 1 9 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.785 -0.005 18812 4524 1 9 . 1 1 62 62 ILE C C 62 176.800 176.800 177.278 -0.478 18812 4525 1 9 . 1 1 62 62 ILE CA C 62 65.900 65.900 63.843 2.057 18812 4526 1 9 . 1 1 62 62 ILE CB C 62 37.700 37.700 38.458 -0.758 18812 4527 1 9 . 1 1 62 62 ILE H H 62 7.240 7.240 7.333 -0.093 18812 4528 1 9 . 1 1 63 63 ASP N N 63 114.100 114.100 116.329 -2.229 18812 4529 1 9 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.729 0.081 18812 4530 1 9 . 1 1 63 63 ASP C C 63 177.500 177.500 176.718 0.782 18812 4531 1 9 . 1 1 63 63 ASP CA C 63 51.700 51.700 53.561 -1.861 18812 4532 1 9 . 1 1 63 63 ASP CB C 63 40.300 40.300 43.963 -3.663 18812 4533 1 9 . 1 1 63 63 ASP H H 63 7.860 7.860 7.785 0.075 18812 4534 1 9 . 1 1 64 64 GLY N N 64 104.800 104.800 107.807 -3.007 18812 4535 1 9 . 1 1 64 64 GLY C C 64 173.400 173.400 173.928 -0.528 18812 4536 1 9 . 1 1 64 64 GLY CA C 64 45.900 45.900 45.481 0.419 18812 4537 1 9 . 1 1 64 64 GLY H H 64 7.860 7.860 8.048 -0.188 18812 4538 1 9 . 1 1 65 65 VAL N N 65 117.700 117.700 115.319 2.381 18812 4539 1 9 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.713 -0.213 18812 4540 1 9 . 1 1 65 65 VAL C C 65 173.300 173.300 174.076 -0.776 18812 4541 1 9 . 1 1 65 65 VAL CA C 65 60.100 60.100 59.887 0.213 18812 4542 1 9 . 1 1 65 65 VAL CB C 65 36.100 36.100 35.058 1.042 18812 4543 1 9 . 1 1 65 65 VAL H H 65 7.550 7.550 7.636 -0.086 18812 4544 1 9 . 1 1 66 66 VAL N N 66 129.500 129.500 122.317 7.183 18812 4545 1 9 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.870 -0.140 18812 4546 1 9 . 1 1 66 66 VAL C C 66 174.300 174.300 174.353 -0.053 18812 4547 1 9 . 1 1 66 66 VAL CA C 66 61.500 61.500 61.447 0.053 18812 4548 1 9 . 1 1 66 66 VAL CB C 66 31.800 31.800 33.333 -1.533 18812 4549 1 9 . 1 1 66 66 VAL H H 66 8.540 8.540 8.347 0.193 18812 4550 1 9 . 1 1 67 67 SER N N 67 123.500 123.500 123.571 -0.071 18812 4551 1 9 . 1 1 67 67 SER HA H 67 5.510 5.510 4.921 0.589 18812 4552 1 9 . 1 1 67 67 SER CA C 67 55.700 55.700 57.029 -1.329 18812 4553 1 9 . 1 1 67 67 SER CB C 67 66.100 66.100 65.447 0.653 18812 4554 1 9 . 1 1 67 67 SER H H 67 9.370 9.370 8.420 0.950 18812 4555 1 9 . 1 1 68 68 LYS C C 68 177.100 177.100 178.145 -1.045 18812 4556 1 9 . 1 1 69 69 ASP N N 69 114.800 114.800 118.175 -3.375 18812 4557 1 9 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.452 -0.002 18812 4558 1 9 . 1 1 69 69 ASP C C 69 178.800 178.800 177.694 1.106 18812 4559 1 9 . 1 1 69 69 ASP CA C 69 56.900 56.900 57.086 -0.186 18812 4560 1 9 . 1 1 69 69 ASP CB C 69 40.400 40.400 40.047 0.353 18812 4561 1 9 . 1 1 69 69 ASP H H 69 8.420 8.420 8.640 -0.220 18812 4562 1 9 . 1 1 70 70 GLU N N 70 120.300 120.300 119.949 0.351 18812 4563 1 9 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.121 0.029 18812 4564 1 9 . 1 1 70 70 GLU C C 70 178.000 178.000 178.176 -0.176 18812 4565 1 9 . 1 1 70 70 GLU CA C 70 59.200 59.200 59.104 0.096 18812 4566 1 9 . 1 1 70 70 GLU CB C 70 28.600 28.600 29.184 -0.584 18812 4567 1 9 . 1 1 70 70 GLU H H 70 7.600 7.600 7.756 -0.156 18812 4568 1 9 . 1 1 71 71 ILE N N 71 119.100 119.100 121.313 -2.213 18812 4569 1 9 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.530 -0.100 18812 4570 1 9 . 1 1 71 71 ILE C C 71 177.300 177.300 178.114 -0.814 18812 4571 1 9 . 1 1 71 71 ILE CA C 71 67.300 67.300 65.430 1.870 18812 4572 1 9 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.529 0.271 18812 4573 1 9 . 1 1 71 71 ILE H H 71 8.050 8.050 7.498 0.552 18812 4574 1 9 . 1 1 72 72 GLU N N 72 116.200 116.200 118.630 -2.430 18812 4575 1 9 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.906 -0.256 18812 4576 1 9 . 1 1 72 72 GLU C C 72 178.000 178.000 178.888 -0.888 18812 4577 1 9 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.552 1.448 18812 4578 1 9 . 1 1 72 72 GLU CB C 72 30.200 30.200 29.053 1.147 18812 4579 1 9 . 1 1 72 72 GLU H H 72 8.460 8.460 8.140 0.320 18812 4580 1 9 . 1 1 73 73 LYS N N 73 118.600 118.600 120.937 -2.337 18812 4581 1 9 . 1 1 73 73 LYS C C 73 179.000 179.000 178.899 0.101 18812 4582 1 9 . 1 1 73 73 LYS CA C 73 59.400 59.400 58.883 0.517 18812 4583 1 9 . 1 1 73 73 LYS CB C 73 32.600 32.600 32.034 0.566 18812 4584 1 9 . 1 1 73 73 LYS H H 73 8.020 8.020 7.579 0.441 18812 4585 1 9 . 1 1 74 74 PHE N N 74 118.500 118.500 117.622 0.878 18812 4586 1 9 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.303 0.017 18812 4587 1 9 . 1 1 74 74 PHE C C 74 179.400 179.400 178.186 1.214 18812 4588 1 9 . 1 1 74 74 PHE CA C 74 61.300 61.300 61.160 0.140 18812 4589 1 9 . 1 1 74 74 PHE CB C 74 38.300 38.300 38.860 -0.560 18812 4590 1 9 . 1 1 74 74 PHE H H 74 8.870 8.870 8.578 0.292 18812 4591 1 9 . 1 1 75 75 ILE N N 75 119.000 119.000 119.811 -0.811 18812 4592 1 9 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.614 0.156 18812 4593 1 9 . 1 1 75 75 ILE C C 75 177.900 177.900 178.254 -0.354 18812 4594 1 9 . 1 1 75 75 ILE CA C 75 66.800 66.800 65.170 1.630 18812 4595 1 9 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.776 0.724 18812 4596 1 9 . 1 1 75 75 ILE H H 75 8.570 8.570 8.193 0.377 18812 4597 1 9 . 1 1 76 76 ALA N N 76 122.200 122.200 121.949 0.251 18812 4598 1 9 . 1 1 76 76 ALA HA H 76 4.570 4.570 4.016 0.554 18812 4599 1 9 . 1 1 76 76 ALA C C 76 181.000 181.000 178.999 2.001 18812 4600 1 9 . 1 1 76 76 ALA CA C 76 54.600 54.600 54.713 -0.113 18812 4601 1 9 . 1 1 76 76 ALA CB C 76 18.400 18.400 18.086 0.314 18812 4602 1 9 . 1 1 76 76 ALA H H 76 8.230 8.230 8.408 -0.178 18812 4603 1 9 . 1 1 77 77 ASP N N 77 117.200 117.200 118.182 -0.982 18812 4604 1 9 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.383 0.057 18812 4605 1 9 . 1 1 77 77 ASP C C 77 177.200 177.200 177.296 -0.096 18812 4606 1 9 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.350 0.350 18812 4607 1 9 . 1 1 77 77 ASP CB C 77 41.100 41.100 41.026 0.074 18812 4608 1 9 . 1 1 77 77 ASP H H 77 7.900 7.900 7.909 -0.009 18812 4609 1 9 . 1 1 78 78 VAL N N 78 118.100 118.100 118.606 -0.506 18812 4610 1 9 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.168 -0.198 18812 4611 1 9 . 1 1 78 78 VAL C C 78 177.800 177.800 175.230 2.570 18812 4612 1 9 . 1 1 78 78 VAL CA C 78 64.800 64.800 61.721 3.079 18812 4613 1 9 . 1 1 78 78 VAL CB C 78 32.700 32.700 30.495 2.205 18812 4614 1 9 . 1 1 78 78 VAL H H 78 7.730 7.730 7.653 0.077 18812 4615 1 9 . 1 1 79 79 THR N N 79 109.800 109.800 111.643 -1.843 18812 4616 1 9 . 1 1 79 79 THR HA H 79 4.100 4.100 3.865 0.235 18812 4617 1 9 . 1 1 79 79 THR C C 79 175.700 175.700 174.800 0.900 18812 4618 1 9 . 1 1 79 79 THR CA C 79 69.400 69.400 64.172 5.228 18812 4619 1 9 . 1 1 79 79 THR CB C 79 63.100 63.100 67.537 -4.437 18812 4620 1 9 . 1 1 79 79 THR H H 79 8.830 8.830 7.679 1.151 18812 4621 1 9 . 1 1 80 80 LYS N N 80 115.700 115.700 120.599 -4.899 18812 4622 1 9 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.267 -0.257 18812 4623 1 9 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.649 -1.949 18812 4624 1 9 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.735 -4.335 18812 4625 1 9 . 1 1 80 80 LYS H H 80 8.440 8.440 7.846 0.594 18812 4626 1 9 . 1 1 81 81 ASP N N 81 119.600 119.600 117.180 2.420 18812 4627 1 9 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.230 0.620 18812 4628 1 9 . 1 1 81 81 ASP C C 81 174.400 174.400 175.317 -0.917 18812 4629 1 9 . 1 1 81 81 ASP CA C 81 51.200 51.200 56.955 -5.755 18812 4630 1 9 . 1 1 81 81 ASP CB C 81 44.400 44.400 39.881 4.519 18812 4631 1 9 . 1 1 81 81 ASP H H 81 8.140 8.140 7.942 0.198 18812 4632 1 9 . 1 1 82 82 GLU N N 82 120.500 120.500 121.094 -0.594 18812 4633 1 9 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.668 -0.218 18812 4634 1 9 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.460 0.740 18812 4635 1 9 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.560 -0.660 18812 4636 1 9 . 1 1 82 82 GLU H H 82 8.810 8.810 8.045 0.765 18812 4637 1 9 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.511 0.139 18812 4638 1 9 . 1 1 83 83 PRO C C 83 176.900 176.900 176.141 0.759 18812 4639 1 9 . 1 1 83 83 PRO CA C 83 62.400 62.400 62.559 -0.159 18812 4640 1 9 . 1 1 83 83 PRO CB C 83 32.600 32.600 32.818 -0.218 18812 4641 1 9 . 1 1 84 84 THR N N 84 115.300 115.300 116.679 -1.379 18812 4642 1 9 . 1 1 84 84 THR HA H 84 4.590 4.590 4.518 0.072 18812 4643 1 9 . 1 1 84 84 THR C C 84 175.000 175.000 176.021 -1.021 18812 4644 1 9 . 1 1 84 84 THR CA C 84 59.800 59.800 59.062 0.738 18812 4645 1 9 . 1 1 84 84 THR CB C 84 71.700 71.700 71.518 0.182 18812 4646 1 9 . 1 1 84 84 THR H H 84 9.550 9.550 8.662 0.888 18812 4647 1 9 . 1 1 85 85 ALA N N 85 124.400 124.400 126.995 -2.595 18812 4648 1 9 . 1 1 85 85 ALA HA H 85 4.060 4.060 3.980 0.080 18812 4649 1 9 . 1 1 85 85 ALA C C 85 180.900 180.900 179.057 1.843 18812 4650 1 9 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.352 -0.052 18812 4651 1 9 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.469 -0.469 18812 4652 1 9 . 1 1 85 85 ALA H H 85 8.970 8.970 8.793 0.177 18812 4653 1 9 . 1 1 86 86 GLN N N 86 116.500 116.500 118.371 -1.871 18812 4654 1 9 . 1 1 86 86 GLN HA H 86 4.120 4.120 3.963 0.157 18812 4655 1 9 . 1 1 86 86 GLN CA C 86 58.900 58.900 59.366 -0.466 18812 4656 1 9 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.410 -0.310 18812 4657 1 9 . 1 1 86 86 GLN H H 86 8.680 8.680 7.858 0.822 18812 4658 1 9 . 1 1 87 87 ASP N N 87 122.300 122.300 120.221 2.079 18812 4659 1 9 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.395 0.205 18812 4660 1 9 . 1 1 87 87 ASP C C 87 178.200 178.200 178.738 -0.538 18812 4661 1 9 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.524 0.276 18812 4662 1 9 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.603 -0.903 18812 4663 1 9 . 1 1 87 87 ASP H H 87 7.820 7.820 7.738 0.082 18812 4664 1 9 . 1 1 88 88 ILE N N 88 120.900 120.900 119.939 0.961 18812 4665 1 9 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.719 -0.239 18812 4666 1 9 . 1 1 88 88 ILE C C 88 177.800 177.800 178.304 -0.504 18812 4667 1 9 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.861 0.939 18812 4668 1 9 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.779 0.520 18812 4669 1 9 . 1 1 88 88 ILE H H 88 8.160 8.160 8.189 -0.029 18812 4670 1 9 . 1 1 89 89 SER N N 89 113.200 113.200 115.296 -2.096 18812 4671 1 9 . 1 1 89 89 SER HA H 89 4.240 4.240 4.184 0.056 18812 4672 1 9 . 1 1 89 89 SER C C 89 177.200 177.200 176.747 0.453 18812 4673 1 9 . 1 1 89 89 SER CA C 89 61.700 61.700 61.735 -0.035 18812 4674 1 9 . 1 1 89 89 SER CB C 89 62.700 62.700 62.973 -0.273 18812 4675 1 9 . 1 1 89 89 SER H H 89 7.970 7.970 8.336 -0.366 18812 4676 1 9 . 1 1 90 90 ARG N N 90 123.100 123.100 121.837 1.263 18812 4677 1 9 . 1 1 90 90 ARG HA H 90 4.110 4.110 4.050 0.060 18812 4678 1 9 . 1 1 90 90 ARG CA C 90 59.900 59.900 58.934 0.966 18812 4679 1 9 . 1 1 90 90 ARG CB C 90 31.700 31.700 29.812 1.888 18812 4680 1 9 . 1 1 90 90 ARG H H 90 8.450 8.450 8.034 0.416 18812 4681 1 9 . 1 1 91 91 VAL N N 91 119.200 119.200 119.572 -0.372 18812 4682 1 9 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.562 -0.132 18812 4683 1 9 . 1 1 91 91 VAL C C 91 177.300 177.300 177.765 -0.465 18812 4684 1 9 . 1 1 91 91 VAL CA C 91 66.800 66.800 66.836 -0.036 18812 4685 1 9 . 1 1 91 91 VAL CB C 91 31.700 31.700 31.586 0.114 18812 4686 1 9 . 1 1 91 91 VAL H H 91 8.140 8.140 8.454 -0.314 18812 4687 1 9 . 1 1 92 92 ALA N N 92 121.100 121.100 121.187 -0.087 18812 4688 1 9 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.925 0.035 18812 4689 1 9 . 1 1 92 92 ALA C C 92 179.200 179.200 179.676 -0.476 18812 4690 1 9 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.346 0.554 18812 4691 1 9 . 1 1 92 92 ALA CB C 92 18.400 18.400 17.960 0.440 18812 4692 1 9 . 1 1 92 92 ALA H H 92 9.020 9.020 8.349 0.671 18812 4693 1 9 . 1 1 93 93 SER N N 93 112.100 112.100 114.091 -1.991 18812 4694 1 9 . 1 1 93 93 SER HA H 93 4.240 4.240 4.177 0.063 18812 4695 1 9 . 1 1 93 93 SER C C 93 177.300 177.300 176.917 0.383 18812 4696 1 9 . 1 1 93 93 SER CA C 93 62.000 62.000 61.401 0.599 18812 4697 1 9 . 1 1 93 93 SER CB C 93 62.700 62.700 63.067 -0.367 18812 4698 1 9 . 1 1 93 93 SER H H 93 8.730 8.730 8.101 0.629 18812 4699 1 9 . 1 1 94 94 ARG N N 94 122.500 122.500 121.367 1.133 18812 4700 1 9 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.060 0.200 18812 4701 1 9 . 1 1 94 94 ARG C C 94 179.900 179.900 178.914 0.986 18812 4702 1 9 . 1 1 94 94 ARG CA C 94 57.800 57.800 57.777 0.023 18812 4703 1 9 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.539 -0.339 18812 4704 1 9 . 1 1 94 94 ARG H H 94 7.520 7.520 7.964 -0.444 18812 4705 1 9 . 1 1 95 95 LEU N N 95 121.500 121.500 116.921 4.579 18812 4706 1 9 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.218 0.022 18812 4707 1 9 . 1 1 95 95 LEU C C 95 179.000 179.000 178.566 0.434 18812 4708 1 9 . 1 1 95 95 LEU CA C 95 58.100 58.100 57.770 0.330 18812 4709 1 9 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.881 0.919 18812 4710 1 9 . 1 1 95 95 LEU H H 95 8.350 8.350 8.060 0.290 18812 4711 1 9 . 1 1 96 96 ALA N N 96 121.900 121.900 120.799 1.101 18812 4712 1 9 . 1 1 96 96 ALA HA H 96 4.320 4.320 4.149 0.171 18812 4713 1 9 . 1 1 96 96 ALA C C 96 182.200 182.200 179.677 2.523 18812 4714 1 9 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.392 0.708 18812 4715 1 9 . 1 1 96 96 ALA CB C 96 18.000 18.000 18.322 -0.322 18812 4716 1 9 . 1 1 96 96 ALA H H 96 8.740 8.740 8.285 0.455 18812 4717 1 9 . 1 1 97 97 ALA N N 97 121.400 121.400 120.540 0.860 18812 4718 1 9 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.149 0.081 18812 4719 1 9 . 1 1 97 97 ALA C C 97 179.200 179.200 178.567 0.633 18812 4720 1 9 . 1 1 97 97 ALA CA C 97 54.600 54.600 53.393 1.207 18812 4721 1 9 . 1 1 97 97 ALA CB C 97 18.000 18.000 18.670 -0.670 18812 4722 1 9 . 1 1 97 97 ALA H H 97 8.190 8.190 7.800 0.390 18812 4723 1 9 . 1 1 98 98 GLY N N 98 103.500 103.500 106.427 -2.927 18812 4724 1 9 . 1 1 98 98 GLY C C 98 173.700 173.700 174.790 -1.090 18812 4725 1 9 . 1 1 98 98 GLY CA C 98 44.800 44.800 44.482 0.318 18812 4726 1 9 . 1 1 98 98 GLY H H 98 7.710 7.710 7.549 0.161 18812 4727 1 9 . 1 1 99 99 GLY N N 99 107.600 107.600 109.314 -1.714 18812 4728 1 9 . 1 1 99 99 GLY CA C 99 45.200 45.200 44.690 0.510 18812 4729 1 9 . 1 1 99 99 GLY H H 99 7.710 7.710 7.361 0.349 18812 4730 1 9 . 1 1 100 100 TRP N N 100 123.600 123.600 127.219 -3.619 18812 4731 1 9 . 1 1 100 100 TRP CB C 100 52.300 52.300 28.075 24.225 18812 4732 1 9 . 1 1 100 100 TRP H H 100 7.820 7.820 8.350 -0.530 18812 4733 1 9 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.207 -0.277 18812 4734 1 9 . 1 1 101 101 PRO C C 101 175.600 175.600 175.567 0.033 18812 4735 1 9 . 1 1 101 101 PRO CA C 101 62.600 62.600 64.007 -1.407 18812 4736 1 9 . 1 1 101 101 PRO CB C 101 34.200 34.200 31.075 3.126 18812 4737 1 9 . 1 1 102 102 LEU N N 102 122.800 122.800 119.182 3.618 18812 4738 1 9 . 1 1 102 102 LEU H H 102 8.470 8.470 7.623 0.847 18812 4739 1 9 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.532 0.128 18812 4740 1 9 . 1 1 103 103 ALA C C 103 177.100 177.100 178.250 -1.150 18812 4741 1 9 . 1 1 103 103 ALA CA C 103 51.500 51.500 51.513 -0.013 18812 4742 1 9 . 1 1 103 103 ALA CB C 103 21.700 21.700 19.339 2.361 18812 4743 1 9 . 1 1 104 104 GLY N N 104 108.500 108.500 112.063 -3.563 18812 4744 1 9 . 1 1 104 104 GLY C C 104 173.900 173.900 174.550 -0.650 18812 4745 1 9 . 1 1 104 104 GLY CA C 104 45.900 45.900 45.145 0.755 18812 4746 1 9 . 1 1 104 104 GLY H H 104 8.700 8.700 8.954 -0.254 18812 4747 1 9 . 1 1 105 105 VAL N N 105 116.700 116.700 117.827 -1.127 18812 4748 1 9 . 1 1 105 105 VAL HA H 105 4.220 4.220 4.011 0.209 18812 4749 1 9 . 1 1 105 105 VAL C C 105 174.700 174.700 176.503 -1.803 18812 4750 1 9 . 1 1 105 105 VAL CA C 105 61.000 61.000 63.799 -2.799 18812 4751 1 9 . 1 1 105 105 VAL CB C 105 33.100 33.100 32.260 0.840 18812 4752 1 9 . 1 1 105 105 VAL H H 105 7.660 7.660 7.564 0.096 18812 4753 1 9 . 1 1 106 106 ASP N N 106 125.100 125.100 121.372 3.728 18812 4754 1 9 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.805 -0.135 18812 4755 1 9 . 1 1 106 106 ASP C C 106 176.500 176.500 176.149 0.351 18812 4756 1 9 . 1 1 106 106 ASP CA C 106 54.000 54.000 54.534 -0.534 18812 4757 1 9 . 1 1 106 106 ASP CB C 106 41.300 41.300 41.324 -0.024 18812 4758 1 9 . 1 1 106 106 ASP H H 106 8.600 8.600 8.265 0.335 18812 4759 1 9 . 1 1 107 107 SER N N 107 117.400 117.400 118.163 -0.763 18812 4760 1 9 . 1 1 107 107 SER HA H 107 4.320 4.320 4.437 -0.117 18812 4761 1 9 . 1 1 107 107 SER C C 107 175.400 175.400 176.146 -0.746 18812 4762 1 9 . 1 1 107 107 SER CA C 107 59.500 59.500 60.021 -0.521 18812 4763 1 9 . 1 1 107 107 SER CB C 107 63.200 63.200 64.118 -0.918 18812 4764 1 9 . 1 1 107 107 SER H H 107 8.560 8.560 8.703 -0.143 18812 4765 1 9 . 1 1 108 108 THR N N 108 115.100 115.100 119.409 -4.309 18812 4766 1 9 . 1 1 108 108 THR HA H 108 4.260 4.260 4.111 0.149 18812 4767 1 9 . 1 1 108 108 THR C C 108 174.800 174.800 174.399 0.401 18812 4768 1 9 . 1 1 108 108 THR CA C 108 63.000 63.000 64.858 -1.858 18812 4769 1 9 . 1 1 108 108 THR CB C 108 69.300 69.300 68.863 0.437 18812 4770 1 9 . 1 1 108 108 THR H H 108 8.230 8.230 8.366 -0.136 18812 4771 1 9 . 1 1 109 109 ALA N N 109 125.000 125.000 121.239 3.761 18812 4772 1 9 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.269 0.091 18812 4773 1 9 . 1 1 109 109 ALA C C 109 177.500 177.500 176.775 0.725 18812 4774 1 9 . 1 1 109 109 ALA CA C 109 52.500 52.500 52.378 0.122 18812 4775 1 9 . 1 1 109 109 ALA CB C 109 19.100 19.100 18.713 0.387 18812 4776 1 9 . 1 1 109 109 ALA H H 109 8.020 8.020 7.802 0.218 18812 4777 1 9 . 1 1 110 110 LEU N N 110 119.400 119.400 120.656 -1.256 18812 4778 1 9 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.476 -0.126 18812 4779 1 9 . 1 1 110 110 LEU C C 110 176.800 176.800 175.988 0.812 18812 4780 1 9 . 1 1 110 110 LEU CA C 110 55.000 55.000 54.196 0.804 18812 4781 1 9 . 1 1 110 110 LEU CB C 110 42.000 42.000 40.899 1.101 18812 4782 1 9 . 1 1 110 110 LEU H H 110 7.880 7.880 7.471 0.409 18812 4783 1 9 . 1 1 111 111 ASN N N 111 118.700 118.700 122.555 -3.855 18812 4784 1 9 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.604 0.126 18812 4785 1 9 . 1 1 111 111 ASN C C 111 173.600 173.600 174.705 -1.105 18812 4786 1 9 . 1 1 111 111 ASN CA C 111 52.900 52.900 53.756 -0.856 18812 4787 1 9 . 1 1 111 111 ASN CB C 111 39.000 39.000 39.615 -0.615 18812 4788 1 9 . 1 1 111 111 ASN H H 111 8.230 8.230 8.822 -0.592 18812 4789 1 10 . 1 1 10 10 GLY C C 10 174.100 174.100 173.988 0.112 18812 4790 1 10 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.421 0.879 18812 4791 1 10 . 1 1 10 10 GLY H H 10 8.500 8.500 8.481 0.019 18812 4792 1 10 . 1 1 11 11 THR N N 11 113.700 113.700 118.299 -4.599 18812 4793 1 10 . 1 1 11 11 THR HA H 11 4.350 4.350 4.360 -0.010 18812 4794 1 10 . 1 1 11 11 THR C C 11 174.700 174.700 174.573 0.127 18812 4795 1 10 . 1 1 11 11 THR CA C 11 62.000 62.000 61.447 0.553 18812 4796 1 10 . 1 1 11 11 THR CB C 11 69.800 69.800 69.616 0.184 18812 4797 1 10 . 1 1 11 11 THR H H 11 8.100 8.100 7.609 0.491 18812 4798 1 10 . 1 1 12 12 LEU N N 12 124.100 124.100 128.370 -4.270 18812 4799 1 10 . 1 1 12 12 LEU C C 12 177.600 177.600 176.868 0.732 18812 4800 1 10 . 1 1 12 12 LEU CA C 12 55.400 55.400 54.311 1.089 18812 4801 1 10 . 1 1 12 12 LEU CB C 12 42.000 42.000 42.535 -0.535 18812 4802 1 10 . 1 1 12 12 LEU H H 12 8.380 8.380 8.534 -0.154 18812 4803 1 10 . 1 1 13 13 GLU N N 13 121.500 121.500 125.618 -4.118 18812 4804 1 10 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.286 -0.066 18812 4805 1 10 . 1 1 13 13 GLU C C 13 176.300 176.300 176.085 0.215 18812 4806 1 10 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.373 0.527 18812 4807 1 10 . 1 1 13 13 GLU CB C 13 29.600 29.600 29.370 0.230 18812 4808 1 10 . 1 1 13 13 GLU H H 13 8.440 8.440 8.795 -0.355 18812 4809 1 10 . 1 1 14 14 ALA N N 14 124.300 124.300 129.604 -5.304 18812 4810 1 10 . 1 1 14 14 ALA CA C 14 52.600 52.600 51.428 1.172 18812 4811 1 10 . 1 1 14 14 ALA CB C 14 19.000 19.000 19.608 -0.608 18812 4812 1 10 . 1 1 14 14 ALA H H 14 8.280 8.280 8.529 -0.249 18812 4813 1 10 . 1 1 15 15 GLN N N 15 118.700 118.700 124.324 -5.624 18812 4814 1 10 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.085 0.315 18812 4815 1 10 . 1 1 15 15 GLN C C 15 176.300 176.300 177.261 -0.961 18812 4816 1 10 . 1 1 15 15 GLN CA C 15 55.800 55.800 58.447 -2.647 18812 4817 1 10 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.505 0.795 18812 4818 1 10 . 1 1 15 15 GLN H H 15 8.360 8.360 8.814 -0.454 18812 4819 1 10 . 1 1 16 16 THR N N 16 114.800 114.800 112.199 2.601 18812 4820 1 10 . 1 1 16 16 THR C C 16 174.400 174.400 175.385 -0.985 18812 4821 1 10 . 1 1 16 16 THR CA C 16 62.000 62.000 63.324 -1.324 18812 4822 1 10 . 1 1 16 16 THR CB C 16 69.700 69.700 67.802 1.898 18812 4823 1 10 . 1 1 16 16 THR H H 16 8.200 8.200 8.402 -0.202 18812 4824 1 10 . 1 1 17 17 GLN N N 17 122.200 122.200 120.171 2.029 18812 4825 1 10 . 1 1 17 17 GLN C C 17 175.900 175.900 176.340 -0.440 18812 4826 1 10 . 1 1 17 17 GLN CA C 17 55.500 55.500 56.418 -0.918 18812 4827 1 10 . 1 1 17 17 GLN CB C 17 29.600 29.600 29.241 0.359 18812 4828 1 10 . 1 1 17 17 GLN H H 17 8.430 8.430 7.352 1.078 18812 4829 1 10 . 1 1 18 18 GLY N N 18 110.100 110.100 107.086 3.014 18812 4830 1 10 . 1 1 18 18 GLY CA C 18 44.500 44.500 42.685 1.815 18812 4831 1 10 . 1 1 18 18 GLY H H 18 8.360 8.360 7.719 0.641 18812 4832 1 10 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.324 0.136 18812 4833 1 10 . 1 1 19 19 PRO C C 19 177.700 177.700 177.024 0.676 18812 4834 1 10 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.743 -0.143 18812 4835 1 10 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.494 -0.594 18812 4836 1 10 . 1 1 20 20 GLY N N 20 109.600 109.600 106.326 3.274 18812 4837 1 10 . 1 1 20 20 GLY C C 20 174.100 174.100 173.776 0.324 18812 4838 1 10 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.903 0.297 18812 4839 1 10 . 1 1 20 20 GLY H H 20 8.630 8.630 7.768 0.862 18812 4840 1 10 . 1 1 21 21 SER N N 21 115.300 115.300 116.133 -0.833 18812 4841 1 10 . 1 1 21 21 SER HA H 21 4.460 4.460 4.336 0.124 18812 4842 1 10 . 1 1 21 21 SER C C 21 174.100 174.100 172.341 1.759 18812 4843 1 10 . 1 1 21 21 SER CA C 21 58.300 58.300 57.939 0.361 18812 4844 1 10 . 1 1 21 21 SER CB C 21 63.900 63.900 64.008 -0.108 18812 4845 1 10 . 1 1 21 21 SER H H 21 8.150 8.150 8.428 -0.278 18812 4846 1 10 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.397 0.043 18812 4847 1 10 . 1 1 22 22 PRO C C 22 176.800 176.800 175.496 1.304 18812 4848 1 10 . 1 1 22 22 PRO CA C 22 63.100 63.100 63.288 -0.189 18812 4849 1 10 . 1 1 22 22 PRO CB C 22 32.100 32.100 30.705 1.395 18812 4850 1 10 . 1 1 23 23 GLU N N 23 120.900 120.900 123.809 -2.909 18812 4851 1 10 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.501 -0.221 18812 4852 1 10 . 1 1 23 23 GLU C C 23 177.000 177.000 176.727 0.273 18812 4853 1 10 . 1 1 23 23 GLU CA C 23 56.600 56.600 56.036 0.564 18812 4854 1 10 . 1 1 23 23 GLU CB C 23 30.400 30.400 31.802 -1.402 18812 4855 1 10 . 1 1 23 23 GLU H H 23 8.630 8.630 8.244 0.386 18812 4856 1 10 . 1 1 24 24 GLY N N 24 109.800 109.800 113.280 -3.480 18812 4857 1 10 . 1 1 24 24 GLY C C 24 173.600 173.600 174.220 -0.620 18812 4858 1 10 . 1 1 24 24 GLY CA C 24 45.100 45.100 45.615 -0.515 18812 4859 1 10 . 1 1 24 24 GLY H H 24 8.450 8.450 8.764 -0.314 18812 4860 1 10 . 1 1 25 25 VAL N N 25 120.600 120.600 119.719 0.881 18812 4861 1 10 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.493 -0.033 18812 4862 1 10 . 1 1 25 25 VAL CA C 25 59.700 59.700 58.942 0.758 18812 4863 1 10 . 1 1 25 25 VAL CB C 25 32.600 32.600 33.388 -0.788 18812 4864 1 10 . 1 1 25 25 VAL H H 25 7.990 7.990 7.580 0.410 18812 4865 1 10 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.333 0.187 18812 4866 1 10 . 1 1 27 27 PRO C C 27 177.200 177.200 176.161 1.039 18812 4867 1 10 . 1 1 27 27 PRO CA C 27 63.100 63.100 63.536 -0.436 18812 4868 1 10 . 1 1 27 27 PRO CB C 27 32.000 32.000 31.440 0.560 18812 4869 1 10 . 1 1 28 28 THR N N 28 113.000 113.000 119.800 -6.800 18812 4870 1 10 . 1 1 28 28 THR HA H 28 4.270 4.270 4.443 -0.173 18812 4871 1 10 . 1 1 28 28 THR C C 28 174.400 174.400 174.764 -0.364 18812 4872 1 10 . 1 1 28 28 THR CA C 28 62.000 62.000 60.856 1.144 18812 4873 1 10 . 1 1 28 28 THR CB C 28 69.700 69.700 71.173 -1.473 18812 4874 1 10 . 1 1 28 28 THR H H 28 8.160 8.160 7.983 0.177 18812 4875 1 10 . 1 1 29 29 ASP N N 29 122.100 122.100 121.893 0.207 18812 4876 1 10 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.092 0.488 18812 4877 1 10 . 1 1 29 29 ASP CA C 29 54.300 54.300 54.792 -0.492 18812 4878 1 10 . 1 1 29 29 ASP CB C 29 40.900 40.900 41.049 -0.149 18812 4879 1 10 . 1 1 29 29 ASP H H 29 8.290 8.290 8.456 -0.166 18812 4880 1 10 . 1 1 30 30 ARG N N 30 120.300 120.300 120.143 0.157 18812 4881 1 10 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.139 0.051 18812 4882 1 10 . 1 1 30 30 ARG C C 30 175.600 175.600 175.580 0.020 18812 4883 1 10 . 1 1 30 30 ARG CA C 30 56.200 56.200 55.893 0.307 18812 4884 1 10 . 1 1 30 30 ARG CB C 30 30.800 30.800 27.788 3.012 18812 4885 1 10 . 1 1 30 30 ARG H H 30 8.070 8.070 7.790 0.280 18812 4886 1 10 . 1 1 31 31 PHE N N 31 120.500 120.500 124.483 -3.983 18812 4887 1 10 . 1 1 31 31 PHE CB C 31 38.800 38.800 39.256 -0.456 18812 4888 1 10 . 1 1 31 31 PHE H H 31 8.240 8.240 7.784 0.456 18812 4889 1 10 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.424 0.016 18812 4890 1 10 . 1 1 32 32 PRO C C 32 177.200 177.200 175.484 1.716 18812 4891 1 10 . 1 1 32 32 PRO CA C 32 63.400 63.400 63.385 0.016 18812 4892 1 10 . 1 1 32 32 PRO CB C 32 31.700 31.700 31.643 0.057 18812 4893 1 10 . 1 1 33 33 LEU N N 33 121.000 121.000 121.140 -0.140 18812 4894 1 10 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.513 -0.183 18812 4895 1 10 . 1 1 33 33 LEU CA C 33 55.600 55.600 54.065 1.535 18812 4896 1 10 . 1 1 33 33 LEU CB C 33 42.100 42.100 41.969 0.130 18812 4897 1 10 . 1 1 33 33 LEU H H 33 8.290 8.290 7.650 0.640 18812 4898 1 10 . 1 1 34 34 LEU N N 34 122.100 122.100 123.356 -1.256 18812 4899 1 10 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.510 -0.200 18812 4900 1 10 . 1 1 34 34 LEU C C 34 177.300 177.300 177.832 -0.532 18812 4901 1 10 . 1 1 34 34 LEU CA C 34 55.200 55.200 54.768 0.432 18812 4902 1 10 . 1 1 34 34 LEU CB C 34 41.900 41.900 41.989 -0.089 18812 4903 1 10 . 1 1 34 34 LEU H H 34 8.110 8.110 8.584 -0.474 18812 4904 1 10 . 1 1 35 35 ALA N N 35 123.400 123.400 121.934 1.466 18812 4905 1 10 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.289 -0.009 18812 4906 1 10 . 1 1 35 35 ALA C C 35 177.600 177.600 178.300 -0.700 18812 4907 1 10 . 1 1 35 35 ALA CA C 35 52.700 52.700 51.896 0.804 18812 4908 1 10 . 1 1 35 35 ALA CB C 35 18.800 18.800 16.710 2.090 18812 4909 1 10 . 1 1 35 35 ALA H H 35 8.140 8.140 8.196 -0.056 18812 4910 1 10 . 1 1 36 36 LEU N N 36 120.000 120.000 120.150 -0.150 18812 4911 1 10 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.104 0.156 18812 4912 1 10 . 1 1 36 36 LEU CA C 36 55.500 55.500 56.995 -1.495 18812 4913 1 10 . 1 1 36 36 LEU CB C 36 42.000 42.000 42.336 -0.336 18812 4914 1 10 . 1 1 36 36 LEU H H 36 7.990 7.990 7.921 0.069 18812 4915 1 10 . 1 1 37 37 LEU N N 37 122.700 122.700 111.859 10.841 18812 4916 1 10 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.697 -0.317 18812 4917 1 10 . 1 1 37 37 LEU C C 37 177.100 177.100 175.252 1.848 18812 4918 1 10 . 1 1 37 37 LEU CA C 37 55.000 55.000 54.616 0.384 18812 4919 1 10 . 1 1 37 37 LEU CB C 37 42.100 42.100 43.680 -1.580 18812 4920 1 10 . 1 1 37 37 LEU H H 37 8.190 8.190 7.715 0.475 18812 4921 1 10 . 1 1 38 38 ARG N N 38 121.600 121.600 120.767 0.833 18812 4922 1 10 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.667 -0.197 18812 4923 1 10 . 1 1 38 38 ARG C C 38 176.200 176.200 175.421 0.779 18812 4924 1 10 . 1 1 38 38 ARG CA C 38 55.100 55.100 54.440 0.660 18812 4925 1 10 . 1 1 38 38 ARG CB C 38 31.200 31.200 32.288 -1.087 18812 4926 1 10 . 1 1 38 38 ARG H H 38 8.040 8.040 8.735 -0.695 18812 4927 1 10 . 1 1 39 39 ARG N N 39 123.600 123.600 118.779 4.821 18812 4928 1 10 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.265 0.105 18812 4929 1 10 . 1 1 39 39 ARG C C 39 175.500 175.500 176.974 -1.474 18812 4930 1 10 . 1 1 39 39 ARG CA C 39 56.700 56.700 57.615 -0.915 18812 4931 1 10 . 1 1 39 39 ARG CB C 39 31.200 31.200 30.730 0.470 18812 4932 1 10 . 1 1 39 39 ARG H H 39 8.840 8.840 8.384 0.456 18812 4933 1 10 . 1 1 40 40 THR N N 40 113.900 113.900 114.583 -0.683 18812 4934 1 10 . 1 1 40 40 THR HA H 40 4.770 4.770 4.329 0.441 18812 4935 1 10 . 1 1 40 40 THR C C 40 175.300 175.300 173.946 1.354 18812 4936 1 10 . 1 1 40 40 THR CA C 40 59.500 59.500 62.286 -2.786 18812 4937 1 10 . 1 1 40 40 THR CB C 40 71.700 71.700 69.723 1.977 18812 4938 1 10 . 1 1 40 40 THR H H 40 8.150 8.150 7.691 0.459 18812 4939 1 10 . 1 1 41 41 LEU N N 41 123.100 123.100 127.843 -4.743 18812 4940 1 10 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.619 -0.149 18812 4941 1 10 . 1 1 41 41 LEU C C 41 179.700 179.700 175.966 3.734 18812 4942 1 10 . 1 1 41 41 LEU CA C 41 54.900 54.900 54.090 0.810 18812 4943 1 10 . 1 1 41 41 LEU CB C 41 43.000 43.000 41.614 1.386 18812 4944 1 10 . 1 1 41 41 LEU H H 41 9.480 9.480 8.770 0.710 18812 4945 1 10 . 1 1 42 42 THR N N 42 115.100 115.100 117.866 -2.766 18812 4946 1 10 . 1 1 42 42 THR HA H 42 4.580 4.580 4.314 0.266 18812 4947 1 10 . 1 1 42 42 THR C C 42 175.400 175.400 175.641 -0.241 18812 4948 1 10 . 1 1 42 42 THR CA C 42 60.900 60.900 61.102 -0.202 18812 4949 1 10 . 1 1 42 42 THR CB C 42 70.600 70.600 71.090 -0.490 18812 4950 1 10 . 1 1 42 42 THR H H 42 8.790 8.790 8.122 0.668 18812 4951 1 10 . 1 1 43 43 GLU N N 43 121.400 121.400 122.622 -1.222 18812 4952 1 10 . 1 1 43 43 GLU HA H 43 4.020 4.020 3.975 0.045 18812 4953 1 10 . 1 1 43 43 GLU C C 43 179.100 179.100 178.321 0.779 18812 4954 1 10 . 1 1 43 43 GLU CA C 43 59.700 59.700 60.177 -0.477 18812 4955 1 10 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.560 -0.660 18812 4956 1 10 . 1 1 43 43 GLU H H 43 9.020 9.020 8.974 0.046 18812 4957 1 10 . 1 1 44 44 GLU N N 44 118.300 118.300 118.193 0.107 18812 4958 1 10 . 1 1 44 44 GLU HA H 44 4.020 4.020 3.978 0.042 18812 4959 1 10 . 1 1 44 44 GLU C C 44 179.700 179.700 179.226 0.474 18812 4960 1 10 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.500 0.700 18812 4961 1 10 . 1 1 44 44 GLU CB C 44 29.000 29.000 29.071 -0.071 18812 4962 1 10 . 1 1 44 44 GLU H H 44 8.810 8.810 8.544 0.266 18812 4963 1 10 . 1 1 45 45 GLN N N 45 119.300 119.300 118.300 1.000 18812 4964 1 10 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.129 0.091 18812 4965 1 10 . 1 1 45 45 GLN C C 45 178.500 178.500 178.837 -0.337 18812 4966 1 10 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.548 -0.248 18812 4967 1 10 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.439 0.761 18812 4968 1 10 . 1 1 45 45 GLN H H 45 7.800 7.800 7.598 0.202 18812 4969 1 10 . 1 1 46 46 VAL N N 46 121.000 121.000 121.273 -0.273 18812 4970 1 10 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.649 -0.249 18812 4971 1 10 . 1 1 46 46 VAL C C 46 177.500 177.500 178.337 -0.837 18812 4972 1 10 . 1 1 46 46 VAL CA C 46 67.600 67.600 67.036 0.564 18812 4973 1 10 . 1 1 46 46 VAL CB C 46 31.300 31.300 31.236 0.064 18812 4974 1 10 . 1 1 46 46 VAL H H 46 8.420 8.420 8.399 0.021 18812 4975 1 10 . 1 1 47 47 GLN N N 47 115.900 115.900 117.732 -1.832 18812 4976 1 10 . 1 1 47 47 GLN HA H 47 3.890 3.890 3.945 -0.055 18812 4977 1 10 . 1 1 47 47 GLN C C 47 178.500 178.500 178.448 0.052 18812 4978 1 10 . 1 1 47 47 GLN CA C 47 58.800 58.800 58.656 0.144 18812 4979 1 10 . 1 1 47 47 GLN CB C 47 27.700 27.700 28.004 -0.304 18812 4980 1 10 . 1 1 47 47 GLN H H 47 7.470 7.470 8.313 -0.843 18812 4981 1 10 . 1 1 48 48 GLU N N 48 121.400 121.400 120.941 0.459 18812 4982 1 10 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.050 0.070 18812 4983 1 10 . 1 1 48 48 GLU C C 48 178.500 178.500 178.817 -0.317 18812 4984 1 10 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.669 -0.369 18812 4985 1 10 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.378 0.422 18812 4986 1 10 . 1 1 48 48 GLU H H 48 7.940 7.940 8.046 -0.106 18812 4987 1 10 . 1 1 49 49 VAL N N 49 120.300 120.300 120.702 -0.402 18812 4988 1 10 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.767 -0.177 18812 4989 1 10 . 1 1 49 49 VAL CA C 49 67.200 67.200 67.142 0.057 18812 4990 1 10 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.642 -0.142 18812 4991 1 10 . 1 1 49 49 VAL H H 49 8.580 8.580 8.293 0.287 18812 4992 1 10 . 1 1 50 50 VAL N N 50 118.700 118.700 118.956 -0.256 18812 4993 1 10 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.601 -0.381 18812 4994 1 10 . 1 1 50 50 VAL C C 50 178.600 178.600 178.100 0.500 18812 4995 1 10 . 1 1 50 50 VAL CA C 50 67.500 67.500 65.666 1.833 18812 4996 1 10 . 1 1 50 50 VAL CB C 50 31.400 31.400 30.302 1.098 18812 4997 1 10 . 1 1 50 50 VAL H H 50 8.350 8.350 8.128 0.222 18812 4998 1 10 . 1 1 51 51 ALA N N 51 123.200 123.200 122.917 0.283 18812 4999 1 10 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.033 -0.203 18812 5000 1 10 . 1 1 51 51 ALA C C 51 180.100 180.100 178.670 1.430 18812 5001 1 10 . 1 1 51 51 ALA CA C 51 55.300 55.300 55.274 0.026 18812 5002 1 10 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.500 -0.800 18812 5003 1 10 . 1 1 51 51 ALA H H 51 8.320 8.320 8.034 0.286 18812 5004 1 10 . 1 1 52 52 LYS N N 52 117.200 117.200 116.483 0.717 18812 5005 1 10 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.502 -0.382 18812 5006 1 10 . 1 1 52 52 LYS C C 52 180.200 180.200 179.650 0.550 18812 5007 1 10 . 1 1 52 52 LYS CA C 52 59.200 59.200 58.299 0.901 18812 5008 1 10 . 1 1 52 52 LYS CB C 52 32.700 32.700 32.828 -0.128 18812 5009 1 10 . 1 1 52 52 LYS H H 52 8.170 8.170 7.854 0.316 18812 5010 1 10 . 1 1 53 53 LEU N N 53 118.600 118.600 121.031 -2.431 18812 5011 1 10 . 1 1 53 53 LEU HA H 53 3.390 3.390 3.109 0.281 18812 5012 1 10 . 1 1 53 53 LEU C C 53 176.300 176.300 177.611 -1.311 18812 5013 1 10 . 1 1 53 53 LEU CA C 53 56.300 56.300 57.295 -0.996 18812 5014 1 10 . 1 1 53 53 LEU CB C 53 44.300 44.300 41.179 3.121 18812 5015 1 10 . 1 1 53 53 LEU H H 53 8.170 8.170 8.414 -0.244 18812 5016 1 10 . 1 1 54 54 THR N N 54 103.000 103.000 112.111 -9.111 18812 5017 1 10 . 1 1 54 54 THR HA H 54 3.490 3.490 4.306 -0.816 18812 5018 1 10 . 1 1 54 54 THR C C 54 173.600 173.600 173.539 0.061 18812 5019 1 10 . 1 1 54 54 THR CA C 54 60.800 60.800 60.654 0.146 18812 5020 1 10 . 1 1 54 54 THR CB C 54 69.700 69.700 68.857 0.843 18812 5021 1 10 . 1 1 54 54 THR H H 54 6.990 6.990 7.537 -0.547 18812 5022 1 10 . 1 1 55 55 ASP N N 55 126.400 126.400 125.692 0.708 18812 5023 1 10 . 1 1 55 55 ASP HA H 55 4.630 4.630 4.755 -0.125 18812 5024 1 10 . 1 1 55 55 ASP CA C 55 52.600 52.600 54.686 -2.086 18812 5025 1 10 . 1 1 55 55 ASP CB C 55 42.200 42.200 41.161 1.038 18812 5026 1 10 . 1 1 55 55 ASP H H 55 6.900 6.900 7.659 -0.759 18812 5027 1 10 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.091 0.249 18812 5028 1 10 . 1 1 56 56 PRO C C 56 178.500 178.500 177.979 0.521 18812 5029 1 10 . 1 1 56 56 PRO CA C 56 65.100 65.100 65.729 -0.629 18812 5030 1 10 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.120 -0.020 18812 5031 1 10 . 1 1 57 57 GLU N N 57 115.700 115.700 115.245 0.455 18812 5032 1 10 . 1 1 57 57 GLU C C 57 176.300 176.300 178.235 -1.935 18812 5033 1 10 . 1 1 57 57 GLU CA C 57 59.600 59.600 57.213 2.387 18812 5034 1 10 . 1 1 57 57 GLU CB C 57 29.400 29.400 29.644 -0.244 18812 5035 1 10 . 1 1 57 57 GLU H H 57 8.640 8.640 8.367 0.273 18812 5036 1 10 . 1 1 58 58 SER N N 58 115.000 115.000 116.411 -1.411 18812 5037 1 10 . 1 1 58 58 SER HA H 58 4.260 4.260 4.446 -0.186 18812 5038 1 10 . 1 1 58 58 SER C C 58 177.400 177.400 176.466 0.934 18812 5039 1 10 . 1 1 58 58 SER CA C 58 62.900 62.900 61.096 1.804 18812 5040 1 10 . 1 1 58 58 SER CB C 58 69.300 69.300 62.771 6.529 18812 5041 1 10 . 1 1 58 58 SER H H 58 8.180 8.180 8.446 -0.266 18812 5042 1 10 . 1 1 60 60 ALA N N 60 123.000 123.000 123.957 -0.957 18812 5043 1 10 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.318 0.312 18812 5044 1 10 . 1 1 60 60 ALA C C 60 180.600 180.600 178.518 2.082 18812 5045 1 10 . 1 1 60 60 ALA CA C 60 53.600 53.600 53.504 0.096 18812 5046 1 10 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.796 0.405 18812 5047 1 10 . 1 1 60 60 ALA H H 60 8.020 8.020 7.871 0.149 18812 5048 1 10 . 1 1 61 61 GLN N N 61 114.000 114.000 119.116 -5.116 18812 5049 1 10 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.092 -0.072 18812 5050 1 10 . 1 1 61 61 GLN C C 61 176.900 176.900 177.843 -0.943 18812 5051 1 10 . 1 1 61 61 GLN CA C 61 54.900 54.900 58.406 -3.506 18812 5052 1 10 . 1 1 61 61 GLN CB C 61 28.500 28.500 28.584 -0.084 18812 5053 1 10 . 1 1 61 61 GLN H H 61 7.500 7.500 8.146 -0.646 18812 5054 1 10 . 1 1 62 62 ILE N N 62 123.900 123.900 119.182 4.718 18812 5055 1 10 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.793 -0.013 18812 5056 1 10 . 1 1 62 62 ILE C C 62 176.800 176.800 177.451 -0.651 18812 5057 1 10 . 1 1 62 62 ILE CA C 62 65.900 65.900 63.950 1.950 18812 5058 1 10 . 1 1 62 62 ILE CB C 62 37.700 37.700 38.050 -0.350 18812 5059 1 10 . 1 1 62 62 ILE H H 62 7.240 7.240 7.772 -0.532 18812 5060 1 10 . 1 1 63 63 ASP N N 63 114.100 114.100 117.441 -3.341 18812 5061 1 10 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.714 0.096 18812 5062 1 10 . 1 1 63 63 ASP C C 63 177.500 177.500 177.127 0.373 18812 5063 1 10 . 1 1 63 63 ASP CA C 63 51.700 51.700 54.225 -2.525 18812 5064 1 10 . 1 1 63 63 ASP CB C 63 40.300 40.300 42.464 -2.164 18812 5065 1 10 . 1 1 63 63 ASP H H 63 7.860 7.860 7.749 0.111 18812 5066 1 10 . 1 1 64 64 GLY N N 64 104.800 104.800 109.014 -4.214 18812 5067 1 10 . 1 1 64 64 GLY C C 64 173.400 173.400 173.549 -0.149 18812 5068 1 10 . 1 1 64 64 GLY CA C 64 45.900 45.900 45.887 0.013 18812 5069 1 10 . 1 1 64 64 GLY H H 64 7.860 7.860 7.981 -0.121 18812 5070 1 10 . 1 1 65 65 VAL N N 65 117.700 117.700 117.509 0.191 18812 5071 1 10 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.306 0.194 18812 5072 1 10 . 1 1 65 65 VAL C C 65 173.300 173.300 174.015 -0.715 18812 5073 1 10 . 1 1 65 65 VAL CA C 65 60.100 60.100 60.707 -0.607 18812 5074 1 10 . 1 1 65 65 VAL CB C 65 36.100 36.100 34.507 1.593 18812 5075 1 10 . 1 1 65 65 VAL H H 65 7.550 7.550 7.655 -0.105 18812 5076 1 10 . 1 1 66 66 VAL N N 66 129.500 129.500 124.727 4.773 18812 5077 1 10 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.516 0.214 18812 5078 1 10 . 1 1 66 66 VAL C C 66 174.300 174.300 174.877 -0.577 18812 5079 1 10 . 1 1 66 66 VAL CA C 66 61.500 61.500 61.699 -0.199 18812 5080 1 10 . 1 1 66 66 VAL CB C 66 31.800 31.800 32.122 -0.322 18812 5081 1 10 . 1 1 66 66 VAL H H 66 8.540 8.540 8.390 0.150 18812 5082 1 10 . 1 1 67 67 SER N N 67 123.500 123.500 124.012 -0.512 18812 5083 1 10 . 1 1 67 67 SER HA H 67 5.510 5.510 4.736 0.774 18812 5084 1 10 . 1 1 67 67 SER CA C 67 55.700 55.700 56.924 -1.224 18812 5085 1 10 . 1 1 67 67 SER CB C 67 66.100 66.100 65.943 0.157 18812 5086 1 10 . 1 1 67 67 SER H H 67 9.370 9.370 8.371 0.999 18812 5087 1 10 . 1 1 68 68 LYS C C 68 177.100 177.100 178.131 -1.031 18812 5088 1 10 . 1 1 69 69 ASP N N 69 114.800 114.800 118.330 -3.530 18812 5089 1 10 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.361 0.089 18812 5090 1 10 . 1 1 69 69 ASP C C 69 178.800 178.800 177.702 1.098 18812 5091 1 10 . 1 1 69 69 ASP CA C 69 56.900 56.900 56.713 0.187 18812 5092 1 10 . 1 1 69 69 ASP CB C 69 40.400 40.400 40.452 -0.052 18812 5093 1 10 . 1 1 69 69 ASP H H 69 8.420 8.420 8.667 -0.247 18812 5094 1 10 . 1 1 70 70 GLU N N 70 120.300 120.300 119.320 0.980 18812 5095 1 10 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.098 0.052 18812 5096 1 10 . 1 1 70 70 GLU C C 70 178.000 178.000 178.825 -0.825 18812 5097 1 10 . 1 1 70 70 GLU CA C 70 59.200 59.200 59.316 -0.116 18812 5098 1 10 . 1 1 70 70 GLU CB C 70 28.600 28.600 29.201 -0.601 18812 5099 1 10 . 1 1 70 70 GLU H H 70 7.600 7.600 8.183 -0.583 18812 5100 1 10 . 1 1 71 71 ILE N N 71 119.100 119.100 121.033 -1.933 18812 5101 1 10 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.669 -0.239 18812 5102 1 10 . 1 1 71 71 ILE C C 71 177.300 177.300 178.254 -0.954 18812 5103 1 10 . 1 1 71 71 ILE CA C 71 67.300 67.300 65.225 2.075 18812 5104 1 10 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.776 0.023 18812 5105 1 10 . 1 1 71 71 ILE H H 71 8.050 8.050 7.590 0.460 18812 5106 1 10 . 1 1 72 72 GLU N N 72 116.200 116.200 119.182 -2.982 18812 5107 1 10 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.892 -0.242 18812 5108 1 10 . 1 1 72 72 GLU C C 72 178.000 178.000 178.879 -0.879 18812 5109 1 10 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.741 1.259 18812 5110 1 10 . 1 1 72 72 GLU CB C 72 30.200 30.200 29.101 1.099 18812 5111 1 10 . 1 1 72 72 GLU H H 72 8.460 8.460 8.468 -0.008 18812 5112 1 10 . 1 1 73 73 LYS N N 73 118.600 118.600 120.461 -1.861 18812 5113 1 10 . 1 1 73 73 LYS C C 73 179.000 179.000 178.849 0.151 18812 5114 1 10 . 1 1 73 73 LYS CA C 73 59.400 59.400 59.526 -0.126 18812 5115 1 10 . 1 1 73 73 LYS CB C 73 32.600 32.600 32.422 0.178 18812 5116 1 10 . 1 1 73 73 LYS H H 73 8.020 8.020 8.308 -0.288 18812 5117 1 10 . 1 1 74 74 PHE N N 74 118.500 118.500 118.073 0.427 18812 5118 1 10 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.228 0.092 18812 5119 1 10 . 1 1 74 74 PHE C C 74 179.400 179.400 178.385 1.015 18812 5120 1 10 . 1 1 74 74 PHE CA C 74 61.300 61.300 61.653 -0.353 18812 5121 1 10 . 1 1 74 74 PHE CB C 74 38.300 38.300 38.944 -0.644 18812 5122 1 10 . 1 1 74 74 PHE H H 74 8.870 8.870 8.322 0.548 18812 5123 1 10 . 1 1 75 75 ILE N N 75 119.000 119.000 119.827 -0.827 18812 5124 1 10 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.593 0.177 18812 5125 1 10 . 1 1 75 75 ILE C C 75 177.900 177.900 178.319 -0.419 18812 5126 1 10 . 1 1 75 75 ILE CA C 75 66.800 66.800 65.231 1.569 18812 5127 1 10 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.666 0.834 18812 5128 1 10 . 1 1 75 75 ILE H H 75 8.570 8.570 8.363 0.207 18812 5129 1 10 . 1 1 76 76 ALA N N 76 122.200 122.200 122.168 0.032 18812 5130 1 10 . 1 1 76 76 ALA HA H 76 4.570 4.570 3.908 0.662 18812 5131 1 10 . 1 1 76 76 ALA C C 76 181.000 181.000 179.099 1.901 18812 5132 1 10 . 1 1 76 76 ALA CA C 76 54.600 54.600 54.914 -0.314 18812 5133 1 10 . 1 1 76 76 ALA CB C 76 18.400 18.400 18.088 0.312 18812 5134 1 10 . 1 1 76 76 ALA H H 76 8.230 8.230 8.262 -0.032 18812 5135 1 10 . 1 1 77 77 ASP N N 77 117.200 117.200 118.149 -0.949 18812 5136 1 10 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.389 0.051 18812 5137 1 10 . 1 1 77 77 ASP C C 77 177.200 177.200 177.744 -0.544 18812 5138 1 10 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.409 0.291 18812 5139 1 10 . 1 1 77 77 ASP CB C 77 41.100 41.100 41.080 0.020 18812 5140 1 10 . 1 1 77 77 ASP H H 77 7.900 7.900 7.879 0.021 18812 5141 1 10 . 1 1 78 78 VAL N N 78 118.100 118.100 119.096 -0.996 18812 5142 1 10 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.063 -0.093 18812 5143 1 10 . 1 1 78 78 VAL C C 78 177.800 177.800 174.661 3.139 18812 5144 1 10 . 1 1 78 78 VAL CA C 78 64.800 64.800 62.440 2.360 18812 5145 1 10 . 1 1 78 78 VAL CB C 78 32.700 32.700 30.845 1.855 18812 5146 1 10 . 1 1 78 78 VAL H H 78 7.730 7.730 7.565 0.165 18812 5147 1 10 . 1 1 79 79 THR N N 79 109.800 109.800 110.355 -0.555 18812 5148 1 10 . 1 1 79 79 THR HA H 79 4.100 4.100 3.977 0.123 18812 5149 1 10 . 1 1 79 79 THR C C 79 175.700 175.700 174.636 1.064 18812 5150 1 10 . 1 1 79 79 THR CA C 79 69.400 69.400 64.139 5.261 18812 5151 1 10 . 1 1 79 79 THR CB C 79 63.100 63.100 67.882 -4.782 18812 5152 1 10 . 1 1 79 79 THR H H 79 8.830 8.830 7.433 1.397 18812 5153 1 10 . 1 1 80 80 LYS N N 80 115.700 115.700 121.361 -5.661 18812 5154 1 10 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.442 -0.432 18812 5155 1 10 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.578 -1.878 18812 5156 1 10 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.885 -4.485 18812 5157 1 10 . 1 1 80 80 LYS H H 80 8.440 8.440 7.630 0.810 18812 5158 1 10 . 1 1 81 81 ASP N N 81 119.600 119.600 117.172 2.428 18812 5159 1 10 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.374 0.476 18812 5160 1 10 . 1 1 81 81 ASP C C 81 174.400 174.400 175.436 -1.036 18812 5161 1 10 . 1 1 81 81 ASP CA C 81 51.200 51.200 56.691 -5.491 18812 5162 1 10 . 1 1 81 81 ASP CB C 81 44.400 44.400 40.372 4.028 18812 5163 1 10 . 1 1 81 81 ASP H H 81 8.140 8.140 8.194 -0.054 18812 5164 1 10 . 1 1 82 82 GLU N N 82 120.500 120.500 119.673 0.827 18812 5165 1 10 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.820 -0.370 18812 5166 1 10 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.338 0.862 18812 5167 1 10 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.714 -0.814 18812 5168 1 10 . 1 1 82 82 GLU H H 82 8.810 8.810 7.976 0.834 18812 5169 1 10 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.728 -0.078 18812 5170 1 10 . 1 1 83 83 PRO C C 83 176.900 176.900 176.275 0.625 18812 5171 1 10 . 1 1 83 83 PRO CA C 83 62.400 62.400 62.162 0.238 18812 5172 1 10 . 1 1 83 83 PRO CB C 83 32.600 32.600 31.152 1.448 18812 5173 1 10 . 1 1 84 84 THR N N 84 115.300 115.300 117.624 -2.324 18812 5174 1 10 . 1 1 84 84 THR HA H 84 4.590 4.590 4.444 0.146 18812 5175 1 10 . 1 1 84 84 THR C C 84 175.000 175.000 175.481 -0.481 18812 5176 1 10 . 1 1 84 84 THR CA C 84 59.800 59.800 59.495 0.305 18812 5177 1 10 . 1 1 84 84 THR CB C 84 71.700 71.700 71.088 0.612 18812 5178 1 10 . 1 1 84 84 THR H H 84 9.550 9.550 8.829 0.721 18812 5179 1 10 . 1 1 85 85 ALA N N 85 124.400 124.400 124.985 -0.585 18812 5180 1 10 . 1 1 85 85 ALA HA H 85 4.060 4.060 4.050 0.010 18812 5181 1 10 . 1 1 85 85 ALA C C 85 180.900 180.900 179.476 1.424 18812 5182 1 10 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.538 -0.238 18812 5183 1 10 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.476 -0.476 18812 5184 1 10 . 1 1 85 85 ALA H H 85 8.970 8.970 8.771 0.199 18812 5185 1 10 . 1 1 86 86 GLN N N 86 116.500 116.500 118.337 -1.837 18812 5186 1 10 . 1 1 86 86 GLN HA H 86 4.120 4.120 3.977 0.143 18812 5187 1 10 . 1 1 86 86 GLN CA C 86 58.900 58.900 59.353 -0.453 18812 5188 1 10 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.306 -0.206 18812 5189 1 10 . 1 1 86 86 GLN H H 86 8.680 8.680 8.252 0.428 18812 5190 1 10 . 1 1 87 87 ASP N N 87 122.300 122.300 120.194 2.106 18812 5191 1 10 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.400 0.200 18812 5192 1 10 . 1 1 87 87 ASP C C 87 178.200 178.200 178.778 -0.578 18812 5193 1 10 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.526 0.274 18812 5194 1 10 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.701 -1.001 18812 5195 1 10 . 1 1 87 87 ASP H H 87 7.820 7.820 7.762 0.058 18812 5196 1 10 . 1 1 88 88 ILE N N 88 120.900 120.900 119.887 1.013 18812 5197 1 10 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.743 -0.263 18812 5198 1 10 . 1 1 88 88 ILE C C 88 177.800 177.800 178.158 -0.358 18812 5199 1 10 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.504 1.296 18812 5200 1 10 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.731 0.569 18812 5201 1 10 . 1 1 88 88 ILE H H 88 8.160 8.160 8.236 -0.076 18812 5202 1 10 . 1 1 89 89 SER N N 89 113.200 113.200 115.601 -2.401 18812 5203 1 10 . 1 1 89 89 SER HA H 89 4.240 4.240 4.091 0.149 18812 5204 1 10 . 1 1 89 89 SER C C 89 177.200 177.200 176.799 0.401 18812 5205 1 10 . 1 1 89 89 SER CA C 89 61.700 61.700 62.001 -0.301 18812 5206 1 10 . 1 1 89 89 SER CB C 89 62.700 62.700 62.874 -0.174 18812 5207 1 10 . 1 1 89 89 SER H H 89 7.970 7.970 8.290 -0.320 18812 5208 1 10 . 1 1 90 90 ARG N N 90 123.100 123.100 121.982 1.118 18812 5209 1 10 . 1 1 90 90 ARG HA H 90 4.110 4.110 4.052 0.058 18812 5210 1 10 . 1 1 90 90 ARG CA C 90 59.900 59.900 59.474 0.426 18812 5211 1 10 . 1 1 90 90 ARG CB C 90 31.700 31.700 30.315 1.385 18812 5212 1 10 . 1 1 90 90 ARG H H 90 8.450 8.450 8.004 0.446 18812 5213 1 10 . 1 1 91 91 VAL N N 91 119.200 119.200 119.830 -0.630 18812 5214 1 10 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.620 -0.190 18812 5215 1 10 . 1 1 91 91 VAL C C 91 177.300 177.300 177.839 -0.539 18812 5216 1 10 . 1 1 91 91 VAL CA C 91 66.800 66.800 66.506 0.294 18812 5217 1 10 . 1 1 91 91 VAL CB C 91 31.700 31.700 31.614 0.086 18812 5218 1 10 . 1 1 91 91 VAL H H 91 8.140 8.140 8.347 -0.207 18812 5219 1 10 . 1 1 92 92 ALA N N 92 121.100 121.100 120.897 0.203 18812 5220 1 10 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.970 -0.010 18812 5221 1 10 . 1 1 92 92 ALA C C 92 179.200 179.200 179.821 -0.621 18812 5222 1 10 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.465 0.435 18812 5223 1 10 . 1 1 92 92 ALA CB C 92 18.400 18.400 18.215 0.185 18812 5224 1 10 . 1 1 92 92 ALA H H 92 9.020 9.020 8.491 0.529 18812 5225 1 10 . 1 1 93 93 SER N N 93 112.100 112.100 113.981 -1.881 18812 5226 1 10 . 1 1 93 93 SER HA H 93 4.240 4.240 4.202 0.038 18812 5227 1 10 . 1 1 93 93 SER C C 93 177.300 177.300 177.044 0.256 18812 5228 1 10 . 1 1 93 93 SER CA C 93 62.000 62.000 61.604 0.396 18812 5229 1 10 . 1 1 93 93 SER CB C 93 62.700 62.700 63.028 -0.328 18812 5230 1 10 . 1 1 93 93 SER H H 93 8.730 8.730 8.223 0.507 18812 5231 1 10 . 1 1 94 94 ARG N N 94 122.500 122.500 122.972 -0.472 18812 5232 1 10 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.151 0.109 18812 5233 1 10 . 1 1 94 94 ARG C C 94 179.900 179.900 178.890 1.010 18812 5234 1 10 . 1 1 94 94 ARG CA C 94 57.800 57.800 58.040 -0.240 18812 5235 1 10 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.499 -0.299 18812 5236 1 10 . 1 1 94 94 ARG H H 94 7.520 7.520 8.159 -0.639 18812 5237 1 10 . 1 1 95 95 LEU N N 95 121.500 121.500 116.499 5.001 18812 5238 1 10 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.156 0.084 18812 5239 1 10 . 1 1 95 95 LEU C C 95 179.000 179.000 177.758 1.242 18812 5240 1 10 . 1 1 95 95 LEU CA C 95 58.100 58.100 57.779 0.321 18812 5241 1 10 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.777 1.023 18812 5242 1 10 . 1 1 95 95 LEU H H 95 8.350 8.350 8.053 0.297 18812 5243 1 10 . 1 1 96 96 ALA N N 96 121.900 121.900 120.435 1.465 18812 5244 1 10 . 1 1 96 96 ALA HA H 96 4.320 4.320 4.132 0.188 18812 5245 1 10 . 1 1 96 96 ALA C C 96 182.200 182.200 179.861 2.339 18812 5246 1 10 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.391 0.709 18812 5247 1 10 . 1 1 96 96 ALA CB C 96 18.000 18.000 18.796 -0.796 18812 5248 1 10 . 1 1 96 96 ALA H H 96 8.740 8.740 7.979 0.761 18812 5249 1 10 . 1 1 97 97 ALA N N 97 121.400 121.400 120.382 1.018 18812 5250 1 10 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.244 -0.014 18812 5251 1 10 . 1 1 97 97 ALA C C 97 179.200 179.200 178.647 0.553 18812 5252 1 10 . 1 1 97 97 ALA CA C 97 54.600 54.600 53.251 1.349 18812 5253 1 10 . 1 1 97 97 ALA CB C 97 18.000 18.000 18.675 -0.675 18812 5254 1 10 . 1 1 97 97 ALA H H 97 8.190 8.190 8.002 0.188 18812 5255 1 10 . 1 1 98 98 GLY N N 98 103.500 103.500 106.821 -3.321 18812 5256 1 10 . 1 1 98 98 GLY C C 98 173.700 173.700 174.606 -0.906 18812 5257 1 10 . 1 1 98 98 GLY CA C 98 44.800 44.800 44.271 0.529 18812 5258 1 10 . 1 1 98 98 GLY H H 98 7.710 7.710 7.785 -0.075 18812 5259 1 10 . 1 1 99 99 GLY N N 99 107.600 107.600 108.918 -1.318 18812 5260 1 10 . 1 1 99 99 GLY CA C 99 45.200 45.200 44.770 0.430 18812 5261 1 10 . 1 1 99 99 GLY H H 99 7.710 7.710 7.381 0.329 18812 5262 1 10 . 1 1 100 100 TRP N N 100 123.600 123.600 127.752 -4.152 18812 5263 1 10 . 1 1 100 100 TRP CB C 100 52.300 52.300 27.839 24.461 18812 5264 1 10 . 1 1 100 100 TRP H H 100 7.820 7.820 8.256 -0.436 18812 5265 1 10 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.134 -0.204 18812 5266 1 10 . 1 1 101 101 PRO C C 101 175.600 175.600 175.673 -0.073 18812 5267 1 10 . 1 1 101 101 PRO CA C 101 62.600 62.600 64.015 -1.415 18812 5268 1 10 . 1 1 101 101 PRO CB C 101 34.200 34.200 30.446 3.754 18812 5269 1 10 . 1 1 102 102 LEU N N 102 122.800 122.800 119.936 2.864 18812 5270 1 10 . 1 1 102 102 LEU H H 102 8.470 8.470 7.456 1.014 18812 5271 1 10 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.410 0.250 18812 5272 1 10 . 1 1 103 103 ALA C C 103 177.100 177.100 178.412 -1.312 18812 5273 1 10 . 1 1 103 103 ALA CA C 103 51.500 51.500 51.984 -0.485 18812 5274 1 10 . 1 1 103 103 ALA CB C 103 21.700 21.700 18.909 2.792 18812 5275 1 10 . 1 1 104 104 GLY N N 104 108.500 108.500 108.506 -0.006 18812 5276 1 10 . 1 1 104 104 GLY C C 104 173.900 173.900 174.280 -0.380 18812 5277 1 10 . 1 1 104 104 GLY CA C 104 45.900 45.900 44.493 1.407 18812 5278 1 10 . 1 1 104 104 GLY H H 104 8.700 8.700 8.425 0.275 18812 5279 1 10 . 1 1 105 105 VAL N N 105 116.700 116.700 119.349 -2.649 18812 5280 1 10 . 1 1 105 105 VAL HA H 105 4.220 4.220 3.972 0.248 18812 5281 1 10 . 1 1 105 105 VAL C C 105 174.700 174.700 175.164 -0.464 18812 5282 1 10 . 1 1 105 105 VAL CA C 105 61.000 61.000 61.969 -0.969 18812 5283 1 10 . 1 1 105 105 VAL CB C 105 33.100 33.100 30.364 2.736 18812 5284 1 10 . 1 1 105 105 VAL H H 105 7.660 7.660 7.593 0.067 18812 5285 1 10 . 1 1 106 106 ASP N N 106 125.100 125.100 126.228 -1.128 18812 5286 1 10 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.785 -0.115 18812 5287 1 10 . 1 1 106 106 ASP C C 106 176.500 176.500 177.651 -1.151 18812 5288 1 10 . 1 1 106 106 ASP CA C 106 54.000 54.000 53.071 0.929 18812 5289 1 10 . 1 1 106 106 ASP CB C 106 41.300 41.300 43.506 -2.206 18812 5290 1 10 . 1 1 106 106 ASP H H 106 8.600 8.600 7.897 0.703 18812 5291 1 10 . 1 1 107 107 SER N N 107 117.400 117.400 119.804 -2.404 18812 5292 1 10 . 1 1 107 107 SER HA H 107 4.320 4.320 4.199 0.121 18812 5293 1 10 . 1 1 107 107 SER C C 107 175.400 175.400 176.129 -0.729 18812 5294 1 10 . 1 1 107 107 SER CA C 107 59.500 59.500 60.953 -1.453 18812 5295 1 10 . 1 1 107 107 SER CB C 107 63.200 63.200 63.169 0.031 18812 5296 1 10 . 1 1 107 107 SER H H 107 8.560 8.560 8.683 -0.123 18812 5297 1 10 . 1 1 108 108 THR N N 108 115.100 115.100 114.318 0.782 18812 5298 1 10 . 1 1 108 108 THR HA H 108 4.260 4.260 4.201 0.059 18812 5299 1 10 . 1 1 108 108 THR C C 108 174.800 174.800 175.284 -0.484 18812 5300 1 10 . 1 1 108 108 THR CA C 108 63.000 63.000 64.059 -1.060 18812 5301 1 10 . 1 1 108 108 THR CB C 108 69.300 69.300 68.539 0.761 18812 5302 1 10 . 1 1 108 108 THR H H 108 8.230 8.230 8.359 -0.129 18812 5303 1 10 . 1 1 109 109 ALA N N 109 125.000 125.000 123.063 1.937 18812 5304 1 10 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.419 -0.059 18812 5305 1 10 . 1 1 109 109 ALA C C 109 177.500 177.500 176.749 0.751 18812 5306 1 10 . 1 1 109 109 ALA CA C 109 52.500 52.500 52.541 -0.041 18812 5307 1 10 . 1 1 109 109 ALA CB C 109 19.100 19.100 19.714 -0.614 18812 5308 1 10 . 1 1 109 109 ALA H H 109 8.020 8.020 7.671 0.349 18812 5309 1 10 . 1 1 110 110 LEU N N 110 119.400 119.400 120.228 -0.828 18812 5310 1 10 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.493 -0.143 18812 5311 1 10 . 1 1 110 110 LEU C C 110 176.800 176.800 175.954 0.846 18812 5312 1 10 . 1 1 110 110 LEU CA C 110 55.000 55.000 54.503 0.497 18812 5313 1 10 . 1 1 110 110 LEU CB C 110 42.000 42.000 41.015 0.985 18812 5314 1 10 . 1 1 110 110 LEU H H 110 7.880 7.880 7.388 0.492 18812 5315 1 10 . 1 1 111 111 ASN N N 111 118.700 118.700 122.415 -3.715 18812 5316 1 10 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.575 0.155 18812 5317 1 10 . 1 1 111 111 ASN C C 111 173.600 173.600 175.209 -1.609 18812 5318 1 10 . 1 1 111 111 ASN CA C 111 52.900 52.900 53.463 -0.563 18812 5319 1 10 . 1 1 111 111 ASN CB C 111 39.000 39.000 39.608 -0.608 18812 5320 1 10 . 1 1 111 111 ASN H H 111 8.230 8.230 8.710 -0.480 18812 5321 1 11 . 1 1 10 10 GLY C C 10 174.100 174.100 173.244 0.856 18812 5322 1 11 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.515 0.785 18812 5323 1 11 . 1 1 10 10 GLY H H 10 8.500 8.500 8.431 0.069 18812 5324 1 11 . 1 1 11 11 THR N N 11 113.700 113.700 114.915 -1.215 18812 5325 1 11 . 1 1 11 11 THR HA H 11 4.350 4.350 4.735 -0.385 18812 5326 1 11 . 1 1 11 11 THR C C 11 174.700 174.700 173.382 1.318 18812 5327 1 11 . 1 1 11 11 THR CA C 11 62.000 62.000 62.167 -0.167 18812 5328 1 11 . 1 1 11 11 THR CB C 11 69.800 69.800 69.675 0.125 18812 5329 1 11 . 1 1 11 11 THR H H 11 8.100 8.100 8.190 -0.090 18812 5330 1 11 . 1 1 12 12 LEU N N 12 124.100 124.100 122.501 1.599 18812 5331 1 11 . 1 1 12 12 LEU C C 12 177.600 177.600 175.100 2.500 18812 5332 1 11 . 1 1 12 12 LEU CA C 12 55.400 55.400 54.543 0.857 18812 5333 1 11 . 1 1 12 12 LEU CB C 12 42.000 42.000 43.751 -1.751 18812 5334 1 11 . 1 1 12 12 LEU H H 12 8.380 8.380 8.182 0.198 18812 5335 1 11 . 1 1 13 13 GLU N N 13 121.500 121.500 119.782 1.718 18812 5336 1 11 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.520 -0.300 18812 5337 1 11 . 1 1 13 13 GLU C C 13 176.300 176.300 174.890 1.410 18812 5338 1 11 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.278 0.623 18812 5339 1 11 . 1 1 13 13 GLU CB C 13 29.600 29.600 31.154 -1.554 18812 5340 1 11 . 1 1 13 13 GLU H H 13 8.440 8.440 8.769 -0.329 18812 5341 1 11 . 1 1 14 14 ALA N N 14 124.300 124.300 128.569 -4.269 18812 5342 1 11 . 1 1 14 14 ALA CA C 14 52.600 52.600 51.571 1.029 18812 5343 1 11 . 1 1 14 14 ALA CB C 14 19.000 19.000 18.881 0.119 18812 5344 1 11 . 1 1 14 14 ALA H H 14 8.280 8.280 8.512 -0.232 18812 5345 1 11 . 1 1 15 15 GLN N N 15 118.700 118.700 123.515 -4.815 18812 5346 1 11 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.484 -0.084 18812 5347 1 11 . 1 1 15 15 GLN C C 15 176.300 176.300 175.133 1.167 18812 5348 1 11 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.755 0.045 18812 5349 1 11 . 1 1 15 15 GLN CB C 15 29.300 29.300 29.558 -0.258 18812 5350 1 11 . 1 1 15 15 GLN H H 15 8.360 8.360 8.413 -0.053 18812 5351 1 11 . 1 1 16 16 THR N N 16 114.800 114.800 120.617 -5.817 18812 5352 1 11 . 1 1 16 16 THR C C 16 174.400 174.400 173.646 0.754 18812 5353 1 11 . 1 1 16 16 THR CA C 16 62.000 62.000 62.128 -0.128 18812 5354 1 11 . 1 1 16 16 THR CB C 16 69.700 69.700 69.892 -0.192 18812 5355 1 11 . 1 1 16 16 THR H H 16 8.200 8.200 8.416 -0.216 18812 5356 1 11 . 1 1 17 17 GLN N N 17 122.200 122.200 124.079 -1.879 18812 5357 1 11 . 1 1 17 17 GLN C C 17 175.900 175.900 175.294 0.606 18812 5358 1 11 . 1 1 17 17 GLN CA C 17 55.500 55.500 55.723 -0.223 18812 5359 1 11 . 1 1 17 17 GLN CB C 17 29.600 29.600 29.348 0.252 18812 5360 1 11 . 1 1 17 17 GLN H H 17 8.430 8.430 8.184 0.246 18812 5361 1 11 . 1 1 18 18 GLY N N 18 110.100 110.100 108.668 1.432 18812 5362 1 11 . 1 1 18 18 GLY CA C 18 44.500 44.500 43.768 0.732 18812 5363 1 11 . 1 1 18 18 GLY H H 18 8.360 8.360 8.394 -0.034 18812 5364 1 11 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.295 0.165 18812 5365 1 11 . 1 1 19 19 PRO C C 19 177.700 177.700 177.249 0.451 18812 5366 1 11 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.515 0.085 18812 5367 1 11 . 1 1 19 19 PRO CB C 19 31.900 31.900 30.909 0.991 18812 5368 1 11 . 1 1 20 20 GLY N N 20 109.600 109.600 112.850 -3.250 18812 5369 1 11 . 1 1 20 20 GLY C C 20 174.100 174.100 174.389 -0.289 18812 5370 1 11 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.206 -0.006 18812 5371 1 11 . 1 1 20 20 GLY H H 20 8.630 8.630 8.293 0.337 18812 5372 1 11 . 1 1 21 21 SER N N 21 115.300 115.300 114.069 1.231 18812 5373 1 11 . 1 1 21 21 SER HA H 21 4.460 4.460 4.184 0.276 18812 5374 1 11 . 1 1 21 21 SER C C 21 174.100 174.100 172.657 1.443 18812 5375 1 11 . 1 1 21 21 SER CA C 21 58.300 58.300 58.521 -0.221 18812 5376 1 11 . 1 1 21 21 SER CB C 21 63.900 63.900 62.731 1.169 18812 5377 1 11 . 1 1 21 21 SER H H 21 8.150 8.150 7.852 0.298 18812 5378 1 11 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.392 0.048 18812 5379 1 11 . 1 1 22 22 PRO C C 22 176.800 176.800 176.000 0.800 18812 5380 1 11 . 1 1 22 22 PRO CA C 22 63.100 63.100 63.151 -0.051 18812 5381 1 11 . 1 1 22 22 PRO CB C 22 32.100 32.100 31.074 1.026 18812 5382 1 11 . 1 1 23 23 GLU N N 23 120.900 120.900 122.425 -1.525 18812 5383 1 11 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.426 -0.146 18812 5384 1 11 . 1 1 23 23 GLU C C 23 177.000 177.000 176.777 0.223 18812 5385 1 11 . 1 1 23 23 GLU CA C 23 56.600 56.600 55.344 1.256 18812 5386 1 11 . 1 1 23 23 GLU CB C 23 30.400 30.400 30.619 -0.219 18812 5387 1 11 . 1 1 23 23 GLU H H 23 8.630 8.630 8.076 0.554 18812 5388 1 11 . 1 1 24 24 GLY N N 24 109.800 109.800 108.655 1.145 18812 5389 1 11 . 1 1 24 24 GLY C C 24 173.600 173.600 174.065 -0.465 18812 5390 1 11 . 1 1 24 24 GLY CA C 24 45.100 45.100 45.969 -0.869 18812 5391 1 11 . 1 1 24 24 GLY H H 24 8.450 8.450 8.725 -0.275 18812 5392 1 11 . 1 1 25 25 VAL N N 25 120.600 120.600 116.624 3.976 18812 5393 1 11 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.541 -0.081 18812 5394 1 11 . 1 1 25 25 VAL CA C 25 59.700 59.700 59.040 0.660 18812 5395 1 11 . 1 1 25 25 VAL CB C 25 32.600 32.600 32.348 0.252 18812 5396 1 11 . 1 1 25 25 VAL H H 25 7.990 7.990 7.563 0.427 18812 5397 1 11 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.382 0.138 18812 5398 1 11 . 1 1 27 27 PRO C C 27 177.200 177.200 176.330 0.870 18812 5399 1 11 . 1 1 27 27 PRO CA C 27 63.100 63.100 63.228 -0.128 18812 5400 1 11 . 1 1 27 27 PRO CB C 27 32.000 32.000 31.452 0.548 18812 5401 1 11 . 1 1 28 28 THR N N 28 113.000 113.000 116.284 -3.284 18812 5402 1 11 . 1 1 28 28 THR HA H 28 4.270 4.270 4.367 -0.097 18812 5403 1 11 . 1 1 28 28 THR C C 28 174.400 174.400 175.367 -0.967 18812 5404 1 11 . 1 1 28 28 THR CA C 28 62.000 62.000 61.225 0.775 18812 5405 1 11 . 1 1 28 28 THR CB C 28 69.700 69.700 69.937 -0.237 18812 5406 1 11 . 1 1 28 28 THR H H 28 8.160 8.160 7.978 0.182 18812 5407 1 11 . 1 1 29 29 ASP N N 29 122.100 122.100 121.863 0.237 18812 5408 1 11 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.437 0.143 18812 5409 1 11 . 1 1 29 29 ASP CA C 29 54.300 54.300 55.458 -1.158 18812 5410 1 11 . 1 1 29 29 ASP CB C 29 40.900 40.900 41.212 -0.312 18812 5411 1 11 . 1 1 29 29 ASP H H 29 8.290 8.290 8.658 -0.368 18812 5412 1 11 . 1 1 30 30 ARG N N 30 120.300 120.300 119.688 0.612 18812 5413 1 11 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.443 -0.253 18812 5414 1 11 . 1 1 30 30 ARG C C 30 175.600 175.600 175.335 0.265 18812 5415 1 11 . 1 1 30 30 ARG CA C 30 56.200 56.200 55.139 1.060 18812 5416 1 11 . 1 1 30 30 ARG CB C 30 30.800 30.800 31.018 -0.218 18812 5417 1 11 . 1 1 30 30 ARG H H 30 8.070 8.070 7.665 0.405 18812 5418 1 11 . 1 1 31 31 PHE N N 31 120.500 120.500 121.843 -1.343 18812 5419 1 11 . 1 1 31 31 PHE CB C 31 38.800 38.800 38.897 -0.097 18812 5420 1 11 . 1 1 31 31 PHE H H 31 8.240 8.240 8.678 -0.438 18812 5421 1 11 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.375 0.065 18812 5422 1 11 . 1 1 32 32 PRO C C 32 177.200 177.200 175.768 1.432 18812 5423 1 11 . 1 1 32 32 PRO CA C 32 63.400 63.400 63.699 -0.299 18812 5424 1 11 . 1 1 32 32 PRO CB C 32 31.700 31.700 31.730 -0.030 18812 5425 1 11 . 1 1 33 33 LEU N N 33 121.000 121.000 117.934 3.066 18812 5426 1 11 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.665 -0.335 18812 5427 1 11 . 1 1 33 33 LEU CA C 33 55.600 55.600 54.080 1.520 18812 5428 1 11 . 1 1 33 33 LEU CB C 33 42.100 42.100 42.711 -0.611 18812 5429 1 11 . 1 1 33 33 LEU H H 33 8.290 8.290 7.519 0.771 18812 5430 1 11 . 1 1 34 34 LEU N N 34 122.100 122.100 124.968 -2.868 18812 5431 1 11 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.666 -0.356 18812 5432 1 11 . 1 1 34 34 LEU C C 34 177.300 177.300 176.780 0.520 18812 5433 1 11 . 1 1 34 34 LEU CA C 34 55.200 55.200 54.120 1.079 18812 5434 1 11 . 1 1 34 34 LEU CB C 34 41.900 41.900 40.605 1.295 18812 5435 1 11 . 1 1 34 34 LEU H H 34 8.110 8.110 8.832 -0.722 18812 5436 1 11 . 1 1 35 35 ALA N N 35 123.400 123.400 127.413 -4.013 18812 5437 1 11 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.380 -0.100 18812 5438 1 11 . 1 1 35 35 ALA C C 35 177.600 177.600 177.908 -0.308 18812 5439 1 11 . 1 1 35 35 ALA CA C 35 52.700 52.700 52.627 0.073 18812 5440 1 11 . 1 1 35 35 ALA CB C 35 18.800 18.800 18.122 0.677 18812 5441 1 11 . 1 1 35 35 ALA H H 35 8.140 8.140 8.937 -0.797 18812 5442 1 11 . 1 1 36 36 LEU N N 36 120.000 120.000 119.115 0.885 18812 5443 1 11 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.222 0.038 18812 5444 1 11 . 1 1 36 36 LEU CA C 36 55.500 55.500 55.371 0.129 18812 5445 1 11 . 1 1 36 36 LEU CB C 36 42.000 42.000 41.878 0.122 18812 5446 1 11 . 1 1 36 36 LEU H H 36 7.990 7.990 8.028 -0.038 18812 5447 1 11 . 1 1 37 37 LEU N N 37 122.700 122.700 121.588 1.112 18812 5448 1 11 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.243 0.137 18812 5449 1 11 . 1 1 37 37 LEU C C 37 177.100 177.100 176.490 0.610 18812 5450 1 11 . 1 1 37 37 LEU CA C 37 55.000 55.000 55.042 -0.042 18812 5451 1 11 . 1 1 37 37 LEU CB C 37 42.100 42.100 40.331 1.769 18812 5452 1 11 . 1 1 37 37 LEU H H 37 8.190 8.190 7.433 0.757 18812 5453 1 11 . 1 1 38 38 ARG N N 38 121.600 121.600 124.893 -3.293 18812 5454 1 11 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.573 -0.103 18812 5455 1 11 . 1 1 38 38 ARG C C 38 176.200 176.200 174.979 1.221 18812 5456 1 11 . 1 1 38 38 ARG CA C 38 55.100 55.100 54.889 0.211 18812 5457 1 11 . 1 1 38 38 ARG CB C 38 31.200 31.200 29.755 1.445 18812 5458 1 11 . 1 1 38 38 ARG H H 38 8.040 8.040 8.098 -0.058 18812 5459 1 11 . 1 1 39 39 ARG N N 39 123.600 123.600 124.363 -0.763 18812 5460 1 11 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.591 -0.221 18812 5461 1 11 . 1 1 39 39 ARG C C 39 175.500 175.500 175.307 0.193 18812 5462 1 11 . 1 1 39 39 ARG CA C 39 56.700 56.700 55.674 1.026 18812 5463 1 11 . 1 1 39 39 ARG CB C 39 31.200 31.200 31.169 0.031 18812 5464 1 11 . 1 1 39 39 ARG H H 39 8.840 8.840 8.361 0.479 18812 5465 1 11 . 1 1 40 40 THR N N 40 113.900 113.900 113.983 -0.083 18812 5466 1 11 . 1 1 40 40 THR HA H 40 4.770 4.770 4.596 0.174 18812 5467 1 11 . 1 1 40 40 THR C C 40 175.300 175.300 174.213 1.087 18812 5468 1 11 . 1 1 40 40 THR CA C 40 59.500 59.500 61.473 -1.973 18812 5469 1 11 . 1 1 40 40 THR CB C 40 71.700 71.700 70.382 1.317 18812 5470 1 11 . 1 1 40 40 THR H H 40 8.150 8.150 8.491 -0.341 18812 5471 1 11 . 1 1 41 41 LEU N N 41 123.100 123.100 129.682 -6.582 18812 5472 1 11 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.618 -0.148 18812 5473 1 11 . 1 1 41 41 LEU C C 41 179.700 179.700 176.308 3.392 18812 5474 1 11 . 1 1 41 41 LEU CA C 41 54.900 54.900 53.815 1.085 18812 5475 1 11 . 1 1 41 41 LEU CB C 41 43.000 43.000 41.197 1.803 18812 5476 1 11 . 1 1 41 41 LEU H H 41 9.480 9.480 8.761 0.719 18812 5477 1 11 . 1 1 42 42 THR N N 42 115.100 115.100 116.815 -1.715 18812 5478 1 11 . 1 1 42 42 THR HA H 42 4.580 4.580 4.203 0.377 18812 5479 1 11 . 1 1 42 42 THR C C 42 175.400 175.400 175.490 -0.090 18812 5480 1 11 . 1 1 42 42 THR CA C 42 60.900 60.900 61.889 -0.989 18812 5481 1 11 . 1 1 42 42 THR CB C 42 70.600 70.600 70.309 0.291 18812 5482 1 11 . 1 1 42 42 THR H H 42 8.790 8.790 7.541 1.249 18812 5483 1 11 . 1 1 43 43 GLU N N 43 121.400 121.400 123.596 -2.196 18812 5484 1 11 . 1 1 43 43 GLU HA H 43 4.020 4.020 3.977 0.043 18812 5485 1 11 . 1 1 43 43 GLU C C 43 179.100 179.100 178.598 0.502 18812 5486 1 11 . 1 1 43 43 GLU CA C 43 59.700 59.700 60.590 -0.890 18812 5487 1 11 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.046 -0.146 18812 5488 1 11 . 1 1 43 43 GLU H H 43 9.020 9.020 8.942 0.078 18812 5489 1 11 . 1 1 44 44 GLU N N 44 118.300 118.300 119.161 -0.861 18812 5490 1 11 . 1 1 44 44 GLU HA H 44 4.020 4.020 3.993 0.027 18812 5491 1 11 . 1 1 44 44 GLU C C 44 179.700 179.700 179.272 0.428 18812 5492 1 11 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.366 0.834 18812 5493 1 11 . 1 1 44 44 GLU CB C 44 29.000 29.000 29.059 -0.059 18812 5494 1 11 . 1 1 44 44 GLU H H 44 8.810 8.810 8.257 0.553 18812 5495 1 11 . 1 1 45 45 GLN N N 45 119.300 119.300 118.252 1.048 18812 5496 1 11 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.133 0.087 18812 5497 1 11 . 1 1 45 45 GLN C C 45 178.500 178.500 178.795 -0.295 18812 5498 1 11 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.497 -0.197 18812 5499 1 11 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.619 0.581 18812 5500 1 11 . 1 1 45 45 GLN H H 45 7.800 7.800 7.783 0.017 18812 5501 1 11 . 1 1 46 46 VAL N N 46 121.000 121.000 121.592 -0.592 18812 5502 1 11 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.658 -0.258 18812 5503 1 11 . 1 1 46 46 VAL C C 46 177.500 177.500 178.287 -0.787 18812 5504 1 11 . 1 1 46 46 VAL CA C 46 67.600 67.600 67.066 0.534 18812 5505 1 11 . 1 1 46 46 VAL CB C 46 31.300 31.300 31.310 -0.010 18812 5506 1 11 . 1 1 46 46 VAL H H 46 8.420 8.420 8.407 0.013 18812 5507 1 11 . 1 1 47 47 GLN N N 47 115.900 115.900 117.628 -1.728 18812 5508 1 11 . 1 1 47 47 GLN HA H 47 3.890 3.890 3.952 -0.062 18812 5509 1 11 . 1 1 47 47 GLN C C 47 178.500 178.500 178.496 0.004 18812 5510 1 11 . 1 1 47 47 GLN CA C 47 58.800 58.800 58.530 0.270 18812 5511 1 11 . 1 1 47 47 GLN CB C 47 27.700 27.700 27.943 -0.243 18812 5512 1 11 . 1 1 47 47 GLN H H 47 7.470 7.470 8.653 -1.183 18812 5513 1 11 . 1 1 48 48 GLU N N 48 121.400 121.400 121.018 0.382 18812 5514 1 11 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.055 0.065 18812 5515 1 11 . 1 1 48 48 GLU C C 48 178.500 178.500 178.827 -0.327 18812 5516 1 11 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.625 -0.325 18812 5517 1 11 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.520 0.280 18812 5518 1 11 . 1 1 48 48 GLU H H 48 7.940 7.940 8.068 -0.128 18812 5519 1 11 . 1 1 49 49 VAL N N 49 120.300 120.300 119.636 0.664 18812 5520 1 11 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.714 -0.124 18812 5521 1 11 . 1 1 49 49 VAL CA C 49 67.200 67.200 66.612 0.588 18812 5522 1 11 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.164 0.336 18812 5523 1 11 . 1 1 49 49 VAL H H 49 8.580 8.580 8.249 0.331 18812 5524 1 11 . 1 1 50 50 VAL N N 50 118.700 118.700 118.024 0.676 18812 5525 1 11 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.750 -0.530 18812 5526 1 11 . 1 1 50 50 VAL C C 50 178.600 178.600 177.525 1.075 18812 5527 1 11 . 1 1 50 50 VAL CA C 50 67.500 67.500 65.626 1.874 18812 5528 1 11 . 1 1 50 50 VAL CB C 50 31.400 31.400 30.249 1.151 18812 5529 1 11 . 1 1 50 50 VAL H H 50 8.350 8.350 8.358 -0.008 18812 5530 1 11 . 1 1 51 51 ALA N N 51 123.200 123.200 122.721 0.479 18812 5531 1 11 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.018 -0.188 18812 5532 1 11 . 1 1 51 51 ALA C C 51 180.100 180.100 179.312 0.788 18812 5533 1 11 . 1 1 51 51 ALA CA C 51 55.300 55.300 55.028 0.272 18812 5534 1 11 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.434 -0.734 18812 5535 1 11 . 1 1 51 51 ALA H H 51 8.320 8.320 7.884 0.436 18812 5536 1 11 . 1 1 52 52 LYS N N 52 117.200 117.200 117.676 -0.476 18812 5537 1 11 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.118 0.002 18812 5538 1 11 . 1 1 52 52 LYS C C 52 180.200 180.200 178.585 1.615 18812 5539 1 11 . 1 1 52 52 LYS CA C 52 59.200 59.200 58.467 0.733 18812 5540 1 11 . 1 1 52 52 LYS CB C 52 32.700 32.700 32.490 0.210 18812 5541 1 11 . 1 1 52 52 LYS H H 52 8.170 8.170 7.786 0.384 18812 5542 1 11 . 1 1 53 53 LEU N N 53 118.600 118.600 118.560 0.040 18812 5543 1 11 . 1 1 53 53 LEU HA H 53 3.390 3.390 4.044 -0.654 18812 5544 1 11 . 1 1 53 53 LEU C C 53 176.300 176.300 178.411 -2.111 18812 5545 1 11 . 1 1 53 53 LEU CA C 53 56.300 56.300 56.384 -0.084 18812 5546 1 11 . 1 1 53 53 LEU CB C 53 44.300 44.300 40.675 3.625 18812 5547 1 11 . 1 1 53 53 LEU H H 53 8.170 8.170 8.263 -0.093 18812 5548 1 11 . 1 1 54 54 THR N N 54 103.000 103.000 112.544 -9.544 18812 5549 1 11 . 1 1 54 54 THR HA H 54 3.490 3.490 4.221 -0.732 18812 5550 1 11 . 1 1 54 54 THR C C 54 173.600 173.600 174.793 -1.193 18812 5551 1 11 . 1 1 54 54 THR CA C 54 60.800 60.800 63.648 -2.848 18812 5552 1 11 . 1 1 54 54 THR CB C 54 69.700 69.700 69.121 0.579 18812 5553 1 11 . 1 1 54 54 THR H H 54 6.990 6.990 7.728 -0.738 18812 5554 1 11 . 1 1 55 55 ASP N N 55 126.400 126.400 121.979 4.421 18812 5555 1 11 . 1 1 55 55 ASP HA H 55 4.630 4.630 5.100 -0.470 18812 5556 1 11 . 1 1 55 55 ASP CA C 55 52.600 52.600 51.824 0.776 18812 5557 1 11 . 1 1 55 55 ASP CB C 55 42.200 42.200 41.455 0.745 18812 5558 1 11 . 1 1 55 55 ASP H H 55 6.900 6.900 7.736 -0.836 18812 5559 1 11 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.304 0.036 18812 5560 1 11 . 1 1 56 56 PRO C C 56 178.500 178.500 178.176 0.324 18812 5561 1 11 . 1 1 56 56 PRO CA C 56 65.100 65.100 64.632 0.468 18812 5562 1 11 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.161 -0.061 18812 5563 1 11 . 1 1 57 57 GLU N N 57 115.700 115.700 117.375 -1.675 18812 5564 1 11 . 1 1 57 57 GLU C C 57 176.300 176.300 177.827 -1.527 18812 5565 1 11 . 1 1 57 57 GLU CA C 57 59.600 59.600 59.235 0.365 18812 5566 1 11 . 1 1 57 57 GLU CB C 57 29.400 29.400 29.108 0.292 18812 5567 1 11 . 1 1 57 57 GLU H H 57 8.640 8.640 8.618 0.022 18812 5568 1 11 . 1 1 58 58 SER N N 58 115.000 115.000 114.177 0.823 18812 5569 1 11 . 1 1 58 58 SER HA H 58 4.260 4.260 4.226 0.034 18812 5570 1 11 . 1 1 58 58 SER C C 58 177.400 177.400 176.592 0.808 18812 5571 1 11 . 1 1 58 58 SER CA C 58 62.900 62.900 61.009 1.891 18812 5572 1 11 . 1 1 58 58 SER CB C 58 69.300 69.300 63.156 6.144 18812 5573 1 11 . 1 1 58 58 SER H H 58 8.180 8.180 7.702 0.478 18812 5574 1 11 . 1 1 60 60 ALA N N 60 123.000 123.000 122.834 0.166 18812 5575 1 11 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.087 0.543 18812 5576 1 11 . 1 1 60 60 ALA C C 60 180.600 180.600 178.222 2.378 18812 5577 1 11 . 1 1 60 60 ALA CA C 60 53.600 53.600 54.843 -1.243 18812 5578 1 11 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.439 0.761 18812 5579 1 11 . 1 1 60 60 ALA H H 60 8.020 8.020 8.280 -0.260 18812 5580 1 11 . 1 1 61 61 GLN N N 61 114.000 114.000 116.543 -2.543 18812 5581 1 11 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.279 -0.259 18812 5582 1 11 . 1 1 61 61 GLN C C 61 176.900 176.900 177.541 -0.641 18812 5583 1 11 . 1 1 61 61 GLN CA C 61 54.900 54.900 56.858 -1.958 18812 5584 1 11 . 1 1 61 61 GLN CB C 61 28.500 28.500 29.781 -1.281 18812 5585 1 11 . 1 1 61 61 GLN H H 61 7.500 7.500 7.771 -0.271 18812 5586 1 11 . 1 1 62 62 ILE N N 62 123.900 123.900 120.286 3.614 18812 5587 1 11 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.851 -0.071 18812 5588 1 11 . 1 1 62 62 ILE C C 62 176.800 176.800 177.275 -0.475 18812 5589 1 11 . 1 1 62 62 ILE CA C 62 65.900 65.900 64.537 1.363 18812 5590 1 11 . 1 1 62 62 ILE CB C 62 37.700 37.700 38.748 -1.048 18812 5591 1 11 . 1 1 62 62 ILE H H 62 7.240 7.240 7.872 -0.632 18812 5592 1 11 . 1 1 63 63 ASP N N 63 114.100 114.100 117.759 -3.659 18812 5593 1 11 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.624 0.186 18812 5594 1 11 . 1 1 63 63 ASP C C 63 177.500 177.500 177.208 0.292 18812 5595 1 11 . 1 1 63 63 ASP CA C 63 51.700 51.700 54.221 -2.521 18812 5596 1 11 . 1 1 63 63 ASP CB C 63 40.300 40.300 42.623 -2.323 18812 5597 1 11 . 1 1 63 63 ASP H H 63 7.860 7.860 8.214 -0.354 18812 5598 1 11 . 1 1 64 64 GLY N N 64 104.800 104.800 107.396 -2.596 18812 5599 1 11 . 1 1 64 64 GLY C C 64 173.400 173.400 173.893 -0.493 18812 5600 1 11 . 1 1 64 64 GLY CA C 64 45.900 45.900 45.912 -0.012 18812 5601 1 11 . 1 1 64 64 GLY H H 64 7.860 7.860 7.767 0.093 18812 5602 1 11 . 1 1 65 65 VAL N N 65 117.700 117.700 113.789 3.911 18812 5603 1 11 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.435 0.065 18812 5604 1 11 . 1 1 65 65 VAL C C 65 173.300 173.300 174.799 -1.499 18812 5605 1 11 . 1 1 65 65 VAL CA C 65 60.100 60.100 60.449 -0.349 18812 5606 1 11 . 1 1 65 65 VAL CB C 65 36.100 36.100 34.718 1.382 18812 5607 1 11 . 1 1 65 65 VAL H H 65 7.550 7.550 7.130 0.420 18812 5608 1 11 . 1 1 66 66 VAL N N 66 129.500 129.500 125.708 3.792 18812 5609 1 11 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.424 0.306 18812 5610 1 11 . 1 1 66 66 VAL C C 66 174.300 174.300 175.290 -0.990 18812 5611 1 11 . 1 1 66 66 VAL CA C 66 61.500 61.500 62.292 -0.792 18812 5612 1 11 . 1 1 66 66 VAL CB C 66 31.800 31.800 31.663 0.137 18812 5613 1 11 . 1 1 66 66 VAL H H 66 8.540 8.540 8.321 0.219 18812 5614 1 11 . 1 1 67 67 SER N N 67 123.500 123.500 124.813 -1.313 18812 5615 1 11 . 1 1 67 67 SER HA H 67 5.510 5.510 4.788 0.722 18812 5616 1 11 . 1 1 67 67 SER CA C 67 55.700 55.700 57.177 -1.477 18812 5617 1 11 . 1 1 67 67 SER CB C 67 66.100 66.100 65.787 0.313 18812 5618 1 11 . 1 1 67 67 SER H H 67 9.370 9.370 8.524 0.846 18812 5619 1 11 . 1 1 68 68 LYS C C 68 177.100 177.100 177.733 -0.633 18812 5620 1 11 . 1 1 69 69 ASP N N 69 114.800 114.800 117.986 -3.186 18812 5621 1 11 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.492 -0.042 18812 5622 1 11 . 1 1 69 69 ASP C C 69 178.800 178.800 177.720 1.080 18812 5623 1 11 . 1 1 69 69 ASP CA C 69 56.900 56.900 56.704 0.196 18812 5624 1 11 . 1 1 69 69 ASP CB C 69 40.400 40.400 40.354 0.046 18812 5625 1 11 . 1 1 69 69 ASP H H 69 8.420 8.420 8.482 -0.062 18812 5626 1 11 . 1 1 70 70 GLU N N 70 120.300 120.300 119.641 0.659 18812 5627 1 11 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.152 -0.002 18812 5628 1 11 . 1 1 70 70 GLU C C 70 178.000 178.000 178.605 -0.605 18812 5629 1 11 . 1 1 70 70 GLU CA C 70 59.200 59.200 59.223 -0.023 18812 5630 1 11 . 1 1 70 70 GLU CB C 70 28.600 28.600 29.248 -0.648 18812 5631 1 11 . 1 1 70 70 GLU H H 70 7.600 7.600 8.365 -0.765 18812 5632 1 11 . 1 1 71 71 ILE N N 71 119.100 119.100 121.180 -2.080 18812 5633 1 11 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.686 -0.256 18812 5634 1 11 . 1 1 71 71 ILE C C 71 177.300 177.300 177.998 -0.698 18812 5635 1 11 . 1 1 71 71 ILE CA C 71 67.300 67.300 65.848 1.452 18812 5636 1 11 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.840 -0.041 18812 5637 1 11 . 1 1 71 71 ILE H H 71 8.050 8.050 7.434 0.616 18812 5638 1 11 . 1 1 72 72 GLU N N 72 116.200 116.200 118.660 -2.460 18812 5639 1 11 . 1 1 72 72 GLU HA H 72 3.650 3.650 4.006 -0.356 18812 5640 1 11 . 1 1 72 72 GLU C C 72 178.000 178.000 178.928 -0.928 18812 5641 1 11 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.085 1.915 18812 5642 1 11 . 1 1 72 72 GLU CB C 72 30.200 30.200 28.682 1.518 18812 5643 1 11 . 1 1 72 72 GLU H H 72 8.460 8.460 8.243 0.217 18812 5644 1 11 . 1 1 73 73 LYS N N 73 118.600 118.600 120.710 -2.110 18812 5645 1 11 . 1 1 73 73 LYS C C 73 179.000 179.000 178.796 0.204 18812 5646 1 11 . 1 1 73 73 LYS CA C 73 59.400 59.400 58.669 0.731 18812 5647 1 11 . 1 1 73 73 LYS CB C 73 32.600 32.600 32.009 0.591 18812 5648 1 11 . 1 1 73 73 LYS H H 73 8.020 8.020 7.691 0.329 18812 5649 1 11 . 1 1 74 74 PHE N N 74 118.500 118.500 118.898 -0.398 18812 5650 1 11 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.259 0.061 18812 5651 1 11 . 1 1 74 74 PHE C C 74 179.400 179.400 178.293 1.107 18812 5652 1 11 . 1 1 74 74 PHE CA C 74 61.300 61.300 61.693 -0.393 18812 5653 1 11 . 1 1 74 74 PHE CB C 74 38.300 38.300 39.018 -0.718 18812 5654 1 11 . 1 1 74 74 PHE H H 74 8.870 8.870 8.456 0.414 18812 5655 1 11 . 1 1 75 75 ILE N N 75 119.000 119.000 119.735 -0.735 18812 5656 1 11 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.602 0.168 18812 5657 1 11 . 1 1 75 75 ILE C C 75 177.900 177.900 177.991 -0.091 18812 5658 1 11 . 1 1 75 75 ILE CA C 75 66.800 66.800 64.884 1.916 18812 5659 1 11 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.550 0.950 18812 5660 1 11 . 1 1 75 75 ILE H H 75 8.570 8.570 8.310 0.260 18812 5661 1 11 . 1 1 76 76 ALA N N 76 122.200 122.200 122.009 0.191 18812 5662 1 11 . 1 1 76 76 ALA HA H 76 4.570 4.570 3.932 0.638 18812 5663 1 11 . 1 1 76 76 ALA C C 76 181.000 181.000 179.306 1.694 18812 5664 1 11 . 1 1 76 76 ALA CA C 76 54.600 54.600 55.182 -0.582 18812 5665 1 11 . 1 1 76 76 ALA CB C 76 18.400 18.400 17.857 0.543 18812 5666 1 11 . 1 1 76 76 ALA H H 76 8.230 8.230 8.222 0.008 18812 5667 1 11 . 1 1 77 77 ASP N N 77 117.200 117.200 117.918 -0.718 18812 5668 1 11 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.362 0.078 18812 5669 1 11 . 1 1 77 77 ASP C C 77 177.200 177.200 177.675 -0.475 18812 5670 1 11 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.791 -0.091 18812 5671 1 11 . 1 1 77 77 ASP CB C 77 41.100 41.100 41.034 0.066 18812 5672 1 11 . 1 1 77 77 ASP H H 77 7.900 7.900 7.807 0.093 18812 5673 1 11 . 1 1 78 78 VAL N N 78 118.100 118.100 117.726 0.374 18812 5674 1 11 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.029 -0.059 18812 5675 1 11 . 1 1 78 78 VAL C C 78 177.800 177.800 175.405 2.395 18812 5676 1 11 . 1 1 78 78 VAL CA C 78 64.800 64.800 62.486 2.314 18812 5677 1 11 . 1 1 78 78 VAL CB C 78 32.700 32.700 31.222 1.478 18812 5678 1 11 . 1 1 78 78 VAL H H 78 7.730 7.730 7.611 0.119 18812 5679 1 11 . 1 1 79 79 THR N N 79 109.800 109.800 111.706 -1.906 18812 5680 1 11 . 1 1 79 79 THR HA H 79 4.100 4.100 3.958 0.142 18812 5681 1 11 . 1 1 79 79 THR C C 79 175.700 175.700 174.627 1.073 18812 5682 1 11 . 1 1 79 79 THR CA C 79 69.400 69.400 64.077 5.323 18812 5683 1 11 . 1 1 79 79 THR CB C 79 63.100 63.100 67.312 -4.212 18812 5684 1 11 . 1 1 79 79 THR H H 79 8.830 8.830 7.837 0.993 18812 5685 1 11 . 1 1 80 80 LYS N N 80 115.700 115.700 120.781 -5.081 18812 5686 1 11 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.057 -0.047 18812 5687 1 11 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.440 -1.740 18812 5688 1 11 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.630 -4.230 18812 5689 1 11 . 1 1 80 80 LYS H H 80 8.440 8.440 7.765 0.675 18812 5690 1 11 . 1 1 81 81 ASP N N 81 119.600 119.600 117.618 1.982 18812 5691 1 11 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.282 0.568 18812 5692 1 11 . 1 1 81 81 ASP C C 81 174.400 174.400 175.199 -0.799 18812 5693 1 11 . 1 1 81 81 ASP CA C 81 51.200 51.200 56.936 -5.736 18812 5694 1 11 . 1 1 81 81 ASP CB C 81 44.400 44.400 39.723 4.677 18812 5695 1 11 . 1 1 81 81 ASP H H 81 8.140 8.140 7.910 0.230 18812 5696 1 11 . 1 1 82 82 GLU N N 82 120.500 120.500 122.156 -1.656 18812 5697 1 11 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.752 -0.302 18812 5698 1 11 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.740 0.460 18812 5699 1 11 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.690 -0.790 18812 5700 1 11 . 1 1 82 82 GLU H H 82 8.810 8.810 8.196 0.614 18812 5701 1 11 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.771 -0.121 18812 5702 1 11 . 1 1 83 83 PRO C C 83 176.900 176.900 176.391 0.509 18812 5703 1 11 . 1 1 83 83 PRO CA C 83 62.400 62.400 62.361 0.039 18812 5704 1 11 . 1 1 83 83 PRO CB C 83 32.600 32.600 31.096 1.504 18812 5705 1 11 . 1 1 84 84 THR N N 84 115.300 115.300 118.704 -3.404 18812 5706 1 11 . 1 1 84 84 THR HA H 84 4.590 4.590 4.351 0.239 18812 5707 1 11 . 1 1 84 84 THR C C 84 175.000 175.000 176.139 -1.139 18812 5708 1 11 . 1 1 84 84 THR CA C 84 59.800 59.800 60.193 -0.393 18812 5709 1 11 . 1 1 84 84 THR CB C 84 71.700 71.700 70.963 0.737 18812 5710 1 11 . 1 1 84 84 THR H H 84 9.550 9.550 8.670 0.880 18812 5711 1 11 . 1 1 85 85 ALA N N 85 124.400 124.400 125.816 -1.416 18812 5712 1 11 . 1 1 85 85 ALA HA H 85 4.060 4.060 3.988 0.072 18812 5713 1 11 . 1 1 85 85 ALA C C 85 180.900 180.900 179.171 1.729 18812 5714 1 11 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.572 -0.272 18812 5715 1 11 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.536 -0.536 18812 5716 1 11 . 1 1 85 85 ALA H H 85 8.970 8.970 8.865 0.105 18812 5717 1 11 . 1 1 86 86 GLN N N 86 116.500 116.500 118.081 -1.581 18812 5718 1 11 . 1 1 86 86 GLN HA H 86 4.120 4.120 3.990 0.130 18812 5719 1 11 . 1 1 86 86 GLN CA C 86 58.900 58.900 59.314 -0.414 18812 5720 1 11 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.409 -0.309 18812 5721 1 11 . 1 1 86 86 GLN H H 86 8.680 8.680 8.181 0.499 18812 5722 1 11 . 1 1 87 87 ASP N N 87 122.300 122.300 120.355 1.945 18812 5723 1 11 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.406 0.194 18812 5724 1 11 . 1 1 87 87 ASP C C 87 178.200 178.200 178.701 -0.501 18812 5725 1 11 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.512 0.288 18812 5726 1 11 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.633 -0.933 18812 5727 1 11 . 1 1 87 87 ASP H H 87 7.820 7.820 7.692 0.128 18812 5728 1 11 . 1 1 88 88 ILE N N 88 120.900 120.900 119.902 0.998 18812 5729 1 11 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.755 -0.275 18812 5730 1 11 . 1 1 88 88 ILE C C 88 177.800 177.800 178.192 -0.392 18812 5731 1 11 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.553 1.247 18812 5732 1 11 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.834 0.466 18812 5733 1 11 . 1 1 88 88 ILE H H 88 8.160 8.160 8.175 -0.015 18812 5734 1 11 . 1 1 89 89 SER N N 89 113.200 113.200 115.593 -2.393 18812 5735 1 11 . 1 1 89 89 SER HA H 89 4.240 4.240 4.108 0.132 18812 5736 1 11 . 1 1 89 89 SER C C 89 177.200 177.200 176.749 0.451 18812 5737 1 11 . 1 1 89 89 SER CA C 89 61.700 61.700 62.255 -0.555 18812 5738 1 11 . 1 1 89 89 SER CB C 89 62.700 62.700 62.997 -0.297 18812 5739 1 11 . 1 1 89 89 SER H H 89 7.970 7.970 8.365 -0.395 18812 5740 1 11 . 1 1 90 90 ARG N N 90 123.100 123.100 121.478 1.622 18812 5741 1 11 . 1 1 90 90 ARG HA H 90 4.110 4.110 3.993 0.117 18812 5742 1 11 . 1 1 90 90 ARG CA C 90 59.900 59.900 59.551 0.349 18812 5743 1 11 . 1 1 90 90 ARG CB C 90 31.700 31.700 30.314 1.386 18812 5744 1 11 . 1 1 90 90 ARG H H 90 8.450 8.450 8.049 0.401 18812 5745 1 11 . 1 1 91 91 VAL N N 91 119.200 119.200 119.734 -0.534 18812 5746 1 11 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.602 -0.172 18812 5747 1 11 . 1 1 91 91 VAL C C 91 177.300 177.300 177.793 -0.493 18812 5748 1 11 . 1 1 91 91 VAL CA C 91 66.800 66.800 66.606 0.194 18812 5749 1 11 . 1 1 91 91 VAL CB C 91 31.700 31.700 31.660 0.040 18812 5750 1 11 . 1 1 91 91 VAL H H 91 8.140 8.140 8.253 -0.113 18812 5751 1 11 . 1 1 92 92 ALA N N 92 121.100 121.100 121.188 -0.088 18812 5752 1 11 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.963 -0.003 18812 5753 1 11 . 1 1 92 92 ALA C C 92 179.200 179.200 179.725 -0.525 18812 5754 1 11 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.395 0.505 18812 5755 1 11 . 1 1 92 92 ALA CB C 92 18.400 18.400 17.991 0.409 18812 5756 1 11 . 1 1 92 92 ALA H H 92 9.020 9.020 8.417 0.603 18812 5757 1 11 . 1 1 93 93 SER N N 93 112.100 112.100 114.338 -2.238 18812 5758 1 11 . 1 1 93 93 SER HA H 93 4.240 4.240 4.205 0.035 18812 5759 1 11 . 1 1 93 93 SER C C 93 177.300 177.300 176.972 0.328 18812 5760 1 11 . 1 1 93 93 SER CA C 93 62.000 62.000 61.302 0.698 18812 5761 1 11 . 1 1 93 93 SER CB C 93 62.700 62.700 62.961 -0.261 18812 5762 1 11 . 1 1 93 93 SER H H 93 8.730 8.730 8.095 0.635 18812 5763 1 11 . 1 1 94 94 ARG N N 94 122.500 122.500 120.925 1.575 18812 5764 1 11 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.086 0.174 18812 5765 1 11 . 1 1 94 94 ARG C C 94 179.900 179.900 179.135 0.765 18812 5766 1 11 . 1 1 94 94 ARG CA C 94 57.800 57.800 58.172 -0.372 18812 5767 1 11 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.681 -0.481 18812 5768 1 11 . 1 1 94 94 ARG H H 94 7.520 7.520 8.028 -0.508 18812 5769 1 11 . 1 1 95 95 LEU N N 95 121.500 121.500 116.918 4.582 18812 5770 1 11 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.236 0.004 18812 5771 1 11 . 1 1 95 95 LEU C C 95 179.000 179.000 178.901 0.099 18812 5772 1 11 . 1 1 95 95 LEU CA C 95 58.100 58.100 57.852 0.248 18812 5773 1 11 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.728 1.072 18812 5774 1 11 . 1 1 95 95 LEU H H 95 8.350 8.350 8.121 0.229 18812 5775 1 11 . 1 1 96 96 ALA N N 96 121.900 121.900 122.026 -0.126 18812 5776 1 11 . 1 1 96 96 ALA HA H 96 4.320 4.320 4.050 0.270 18812 5777 1 11 . 1 1 96 96 ALA C C 96 182.200 182.200 178.656 3.544 18812 5778 1 11 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.880 0.220 18812 5779 1 11 . 1 1 96 96 ALA CB C 96 18.000 18.000 18.069 -0.069 18812 5780 1 11 . 1 1 96 96 ALA H H 96 8.740 8.740 8.273 0.467 18812 5781 1 11 . 1 1 97 97 ALA N N 97 121.400 121.400 119.582 1.818 18812 5782 1 11 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.238 -0.008 18812 5783 1 11 . 1 1 97 97 ALA C C 97 179.200 179.200 179.455 -0.255 18812 5784 1 11 . 1 1 97 97 ALA CA C 97 54.600 54.600 53.412 1.188 18812 5785 1 11 . 1 1 97 97 ALA CB C 97 18.000 18.000 18.877 -0.877 18812 5786 1 11 . 1 1 97 97 ALA H H 97 8.190 8.190 7.372 0.818 18812 5787 1 11 . 1 1 98 98 GLY N N 98 103.500 103.500 106.829 -3.329 18812 5788 1 11 . 1 1 98 98 GLY C C 98 173.700 173.700 175.138 -1.438 18812 5789 1 11 . 1 1 98 98 GLY CA C 98 44.800 44.800 45.992 -1.192 18812 5790 1 11 . 1 1 98 98 GLY H H 98 7.710 7.710 7.998 -0.288 18812 5791 1 11 . 1 1 99 99 GLY N N 99 107.600 107.600 108.634 -1.034 18812 5792 1 11 . 1 1 99 99 GLY CA C 99 45.200 45.200 43.339 1.861 18812 5793 1 11 . 1 1 99 99 GLY H H 99 7.710 7.710 7.485 0.225 18812 5794 1 11 . 1 1 100 100 TRP N N 100 123.600 123.600 121.945 1.655 18812 5795 1 11 . 1 1 100 100 TRP CB C 100 52.300 52.300 29.281 23.019 18812 5796 1 11 . 1 1 100 100 TRP H H 100 7.820 7.820 7.507 0.313 18812 5797 1 11 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.424 -0.494 18812 5798 1 11 . 1 1 101 101 PRO C C 101 175.600 175.600 176.284 -0.684 18812 5799 1 11 . 1 1 101 101 PRO CA C 101 62.600 62.600 64.068 -1.468 18812 5800 1 11 . 1 1 101 101 PRO CB C 101 34.200 34.200 32.089 2.111 18812 5801 1 11 . 1 1 102 102 LEU N N 102 122.800 122.800 121.394 1.406 18812 5802 1 11 . 1 1 102 102 LEU H H 102 8.470 8.470 7.927 0.543 18812 5803 1 11 . 1 1 103 103 ALA HA H 103 4.660 4.660 3.982 0.678 18812 5804 1 11 . 1 1 103 103 ALA C C 103 177.100 177.100 177.139 -0.039 18812 5805 1 11 . 1 1 103 103 ALA CA C 103 51.500 51.500 52.310 -0.810 18812 5806 1 11 . 1 1 103 103 ALA CB C 103 21.700 21.700 18.316 3.384 18812 5807 1 11 . 1 1 104 104 GLY N N 104 108.500 108.500 111.215 -2.715 18812 5808 1 11 . 1 1 104 104 GLY C C 104 173.900 173.900 173.183 0.717 18812 5809 1 11 . 1 1 104 104 GLY CA C 104 45.900 45.900 45.681 0.219 18812 5810 1 11 . 1 1 104 104 GLY H H 104 8.700 8.700 8.019 0.681 18812 5811 1 11 . 1 1 105 105 VAL N N 105 116.700 116.700 118.723 -2.023 18812 5812 1 11 . 1 1 105 105 VAL HA H 105 4.220 4.220 4.286 -0.066 18812 5813 1 11 . 1 1 105 105 VAL C C 105 174.700 174.700 175.002 -0.302 18812 5814 1 11 . 1 1 105 105 VAL CA C 105 61.000 61.000 59.674 1.326 18812 5815 1 11 . 1 1 105 105 VAL CB C 105 33.100 33.100 30.933 2.167 18812 5816 1 11 . 1 1 105 105 VAL H H 105 7.660 7.660 7.353 0.307 18812 5817 1 11 . 1 1 106 106 ASP N N 106 125.100 125.100 128.818 -3.718 18812 5818 1 11 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.460 0.210 18812 5819 1 11 . 1 1 106 106 ASP C C 106 176.500 176.500 176.020 0.480 18812 5820 1 11 . 1 1 106 106 ASP CA C 106 54.000 54.000 55.016 -1.016 18812 5821 1 11 . 1 1 106 106 ASP CB C 106 41.300 41.300 40.861 0.439 18812 5822 1 11 . 1 1 106 106 ASP H H 106 8.600 8.600 8.440 0.160 18812 5823 1 11 . 1 1 107 107 SER N N 107 117.400 117.400 118.809 -1.409 18812 5824 1 11 . 1 1 107 107 SER HA H 107 4.320 4.320 4.390 -0.070 18812 5825 1 11 . 1 1 107 107 SER C C 107 175.400 175.400 175.196 0.204 18812 5826 1 11 . 1 1 107 107 SER CA C 107 59.500 59.500 59.907 -0.407 18812 5827 1 11 . 1 1 107 107 SER CB C 107 63.200 63.200 63.352 -0.152 18812 5828 1 11 . 1 1 107 107 SER H H 107 8.560 8.560 8.612 -0.052 18812 5829 1 11 . 1 1 108 108 THR N N 108 115.100 115.100 113.944 1.156 18812 5830 1 11 . 1 1 108 108 THR HA H 108 4.260 4.260 4.340 -0.080 18812 5831 1 11 . 1 1 108 108 THR C C 108 174.800 174.800 175.486 -0.686 18812 5832 1 11 . 1 1 108 108 THR CA C 108 63.000 63.000 63.052 -0.052 18812 5833 1 11 . 1 1 108 108 THR CB C 108 69.300 69.300 69.171 0.129 18812 5834 1 11 . 1 1 108 108 THR H H 108 8.230 8.230 7.724 0.506 18812 5835 1 11 . 1 1 109 109 ALA N N 109 125.000 125.000 124.103 0.897 18812 5836 1 11 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.353 0.007 18812 5837 1 11 . 1 1 109 109 ALA C C 109 177.500 177.500 178.098 -0.598 18812 5838 1 11 . 1 1 109 109 ALA CA C 109 52.500 52.500 52.585 -0.085 18812 5839 1 11 . 1 1 109 109 ALA CB C 109 19.100 19.100 17.589 1.511 18812 5840 1 11 . 1 1 109 109 ALA H H 109 8.020 8.020 7.980 0.040 18812 5841 1 11 . 1 1 110 110 LEU N N 110 119.400 119.400 112.724 6.676 18812 5842 1 11 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.390 -0.040 18812 5843 1 11 . 1 1 110 110 LEU C C 110 176.800 176.800 175.917 0.883 18812 5844 1 11 . 1 1 110 110 LEU CA C 110 55.000 55.000 54.735 0.265 18812 5845 1 11 . 1 1 110 110 LEU CB C 110 42.000 42.000 41.422 0.578 18812 5846 1 11 . 1 1 110 110 LEU H H 110 7.880 7.880 7.495 0.385 18812 5847 1 11 . 1 1 111 111 ASN N N 111 118.700 118.700 118.396 0.304 18812 5848 1 11 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.768 -0.038 18812 5849 1 11 . 1 1 111 111 ASN C C 111 173.600 173.600 174.176 -0.576 18812 5850 1 11 . 1 1 111 111 ASN CA C 111 52.900 52.900 52.140 0.760 18812 5851 1 11 . 1 1 111 111 ASN CB C 111 39.000 39.000 39.408 -0.408 18812 5852 1 11 . 1 1 111 111 ASN H H 111 8.230 8.230 7.509 0.721 18812 5853 1 12 . 1 1 10 10 GLY C C 10 174.100 174.100 173.097 1.003 18812 5854 1 12 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.032 0.268 18812 5855 1 12 . 1 1 10 10 GLY H H 10 8.500 8.500 7.985 0.515 18812 5856 1 12 . 1 1 11 11 THR N N 11 113.700 113.700 112.709 0.991 18812 5857 1 12 . 1 1 11 11 THR HA H 11 4.350 4.350 4.512 -0.162 18812 5858 1 12 . 1 1 11 11 THR C C 11 174.700 174.700 174.111 0.589 18812 5859 1 12 . 1 1 11 11 THR CA C 11 62.000 62.000 61.647 0.353 18812 5860 1 12 . 1 1 11 11 THR CB C 11 69.800 69.800 69.592 0.208 18812 5861 1 12 . 1 1 11 11 THR H H 11 8.100 8.100 8.130 -0.030 18812 5862 1 12 . 1 1 12 12 LEU N N 12 124.100 124.100 123.171 0.929 18812 5863 1 12 . 1 1 12 12 LEU C C 12 177.600 177.600 177.489 0.111 18812 5864 1 12 . 1 1 12 12 LEU CA C 12 55.400 55.400 54.545 0.855 18812 5865 1 12 . 1 1 12 12 LEU CB C 12 42.000 42.000 43.940 -1.940 18812 5866 1 12 . 1 1 12 12 LEU H H 12 8.380 8.380 7.920 0.460 18812 5867 1 12 . 1 1 13 13 GLU N N 13 121.500 121.500 121.930 -0.430 18812 5868 1 12 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.328 -0.108 18812 5869 1 12 . 1 1 13 13 GLU C C 13 176.300 176.300 177.219 -0.919 18812 5870 1 12 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.767 0.133 18812 5871 1 12 . 1 1 13 13 GLU CB C 13 29.600 29.600 29.575 0.025 18812 5872 1 12 . 1 1 13 13 GLU H H 13 8.440 8.440 8.857 -0.417 18812 5873 1 12 . 1 1 14 14 ALA N N 14 124.300 124.300 123.218 1.082 18812 5874 1 12 . 1 1 14 14 ALA CA C 14 52.600 52.600 54.542 -1.942 18812 5875 1 12 . 1 1 14 14 ALA CB C 14 19.000 19.000 18.155 0.845 18812 5876 1 12 . 1 1 14 14 ALA H H 14 8.280 8.280 7.911 0.369 18812 5877 1 12 . 1 1 15 15 GLN N N 15 118.700 118.700 117.402 1.298 18812 5878 1 12 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.204 0.196 18812 5879 1 12 . 1 1 15 15 GLN C C 15 176.300 176.300 176.500 -0.200 18812 5880 1 12 . 1 1 15 15 GLN CA C 15 55.800 55.800 57.445 -1.645 18812 5881 1 12 . 1 1 15 15 GLN CB C 15 29.300 29.300 29.090 0.210 18812 5882 1 12 . 1 1 15 15 GLN H H 15 8.360 8.360 8.318 0.042 18812 5883 1 12 . 1 1 16 16 THR N N 16 114.800 114.800 118.021 -3.221 18812 5884 1 12 . 1 1 16 16 THR C C 16 174.400 174.400 173.716 0.684 18812 5885 1 12 . 1 1 16 16 THR CA C 16 62.000 62.000 62.910 -0.910 18812 5886 1 12 . 1 1 16 16 THR CB C 16 69.700 69.700 68.188 1.512 18812 5887 1 12 . 1 1 16 16 THR H H 16 8.200 8.200 7.700 0.500 18812 5888 1 12 . 1 1 17 17 GLN N N 17 122.200 122.200 127.893 -5.693 18812 5889 1 12 . 1 1 17 17 GLN C C 17 175.900 175.900 175.975 -0.075 18812 5890 1 12 . 1 1 17 17 GLN CA C 17 55.500 55.500 54.366 1.134 18812 5891 1 12 . 1 1 17 17 GLN CB C 17 29.600 29.600 28.827 0.773 18812 5892 1 12 . 1 1 17 17 GLN H H 17 8.430 8.430 7.964 0.466 18812 5893 1 12 . 1 1 18 18 GLY N N 18 110.100 110.100 113.737 -3.637 18812 5894 1 12 . 1 1 18 18 GLY CA C 18 44.500 44.500 44.435 0.065 18812 5895 1 12 . 1 1 18 18 GLY H H 18 8.360 8.360 8.029 0.331 18812 5896 1 12 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.432 0.028 18812 5897 1 12 . 1 1 19 19 PRO C C 19 177.700 177.700 176.638 1.062 18812 5898 1 12 . 1 1 19 19 PRO CA C 19 63.600 63.600 62.649 0.951 18812 5899 1 12 . 1 1 19 19 PRO CB C 19 31.900 31.900 30.356 1.544 18812 5900 1 12 . 1 1 20 20 GLY N N 20 109.600 109.600 108.727 0.873 18812 5901 1 12 . 1 1 20 20 GLY C C 20 174.100 174.100 174.369 -0.269 18812 5902 1 12 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.469 -0.269 18812 5903 1 12 . 1 1 20 20 GLY H H 20 8.630 8.630 8.020 0.610 18812 5904 1 12 . 1 1 21 21 SER N N 21 115.300 115.300 115.029 0.271 18812 5905 1 12 . 1 1 21 21 SER HA H 21 4.460 4.460 4.726 -0.266 18812 5906 1 12 . 1 1 21 21 SER C C 21 174.100 174.100 172.751 1.349 18812 5907 1 12 . 1 1 21 21 SER CA C 21 58.300 58.300 59.117 -0.817 18812 5908 1 12 . 1 1 21 21 SER CB C 21 63.900 63.900 63.260 0.640 18812 5909 1 12 . 1 1 21 21 SER H H 21 8.150 8.150 8.352 -0.202 18812 5910 1 12 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.722 -0.282 18812 5911 1 12 . 1 1 22 22 PRO C C 22 176.800 176.800 176.002 0.798 18812 5912 1 12 . 1 1 22 22 PRO CA C 22 63.100 63.100 62.985 0.115 18812 5913 1 12 . 1 1 22 22 PRO CB C 22 32.100 32.100 31.599 0.501 18812 5914 1 12 . 1 1 23 23 GLU N N 23 120.900 120.900 119.873 1.027 18812 5915 1 12 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.256 0.024 18812 5916 1 12 . 1 1 23 23 GLU C C 23 177.000 177.000 177.638 -0.638 18812 5917 1 12 . 1 1 23 23 GLU CA C 23 56.600 56.600 56.608 -0.009 18812 5918 1 12 . 1 1 23 23 GLU CB C 23 30.400 30.400 29.776 0.625 18812 5919 1 12 . 1 1 23 23 GLU H H 23 8.630 8.630 7.733 0.897 18812 5920 1 12 . 1 1 24 24 GLY N N 24 109.800 109.800 109.596 0.204 18812 5921 1 12 . 1 1 24 24 GLY C C 24 173.600 173.600 174.120 -0.520 18812 5922 1 12 . 1 1 24 24 GLY CA C 24 45.100 45.100 45.073 0.027 18812 5923 1 12 . 1 1 24 24 GLY H H 24 8.450 8.450 8.710 -0.260 18812 5924 1 12 . 1 1 25 25 VAL N N 25 120.600 120.600 120.072 0.528 18812 5925 1 12 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.572 -0.112 18812 5926 1 12 . 1 1 25 25 VAL CA C 25 59.700 59.700 58.723 0.977 18812 5927 1 12 . 1 1 25 25 VAL CB C 25 32.600 32.600 32.437 0.163 18812 5928 1 12 . 1 1 25 25 VAL H H 25 7.990 7.990 7.387 0.603 18812 5929 1 12 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.423 0.097 18812 5930 1 12 . 1 1 27 27 PRO C C 27 177.200 177.200 177.197 0.003 18812 5931 1 12 . 1 1 27 27 PRO CA C 27 63.100 63.100 63.301 -0.201 18812 5932 1 12 . 1 1 27 27 PRO CB C 27 32.000 32.000 31.780 0.220 18812 5933 1 12 . 1 1 28 28 THR N N 28 113.000 113.000 119.142 -6.142 18812 5934 1 12 . 1 1 28 28 THR HA H 28 4.270 4.270 4.361 -0.091 18812 5935 1 12 . 1 1 28 28 THR C C 28 174.400 174.400 175.095 -0.695 18812 5936 1 12 . 1 1 28 28 THR CA C 28 62.000 62.000 62.351 -0.351 18812 5937 1 12 . 1 1 28 28 THR CB C 28 69.700 69.700 69.715 -0.015 18812 5938 1 12 . 1 1 28 28 THR H H 28 8.160 8.160 7.998 0.162 18812 5939 1 12 . 1 1 29 29 ASP N N 29 122.100 122.100 122.815 -0.715 18812 5940 1 12 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.319 0.261 18812 5941 1 12 . 1 1 29 29 ASP CA C 29 54.300 54.300 55.634 -1.334 18812 5942 1 12 . 1 1 29 29 ASP CB C 29 40.900 40.900 40.833 0.067 18812 5943 1 12 . 1 1 29 29 ASP H H 29 8.290 8.290 8.574 -0.284 18812 5944 1 12 . 1 1 30 30 ARG N N 30 120.300 120.300 119.475 0.825 18812 5945 1 12 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.092 0.098 18812 5946 1 12 . 1 1 30 30 ARG C C 30 175.600 175.600 176.182 -0.582 18812 5947 1 12 . 1 1 30 30 ARG CA C 30 56.200 56.200 55.689 0.511 18812 5948 1 12 . 1 1 30 30 ARG CB C 30 30.800 30.800 30.603 0.197 18812 5949 1 12 . 1 1 30 30 ARG H H 30 8.070 8.070 7.680 0.390 18812 5950 1 12 . 1 1 31 31 PHE N N 31 120.500 120.500 120.765 -0.265 18812 5951 1 12 . 1 1 31 31 PHE CB C 31 38.800 38.800 38.375 0.425 18812 5952 1 12 . 1 1 31 31 PHE H H 31 8.240 8.240 8.314 -0.074 18812 5953 1 12 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.371 0.069 18812 5954 1 12 . 1 1 32 32 PRO C C 32 177.200 177.200 175.692 1.508 18812 5955 1 12 . 1 1 32 32 PRO CA C 32 63.400 63.400 64.009 -0.609 18812 5956 1 12 . 1 1 32 32 PRO CB C 32 31.700 31.700 32.069 -0.368 18812 5957 1 12 . 1 1 33 33 LEU N N 33 121.000 121.000 121.408 -0.408 18812 5958 1 12 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.558 -0.228 18812 5959 1 12 . 1 1 33 33 LEU CA C 33 55.600 55.600 54.325 1.275 18812 5960 1 12 . 1 1 33 33 LEU CB C 33 42.100 42.100 43.379 -1.279 18812 5961 1 12 . 1 1 33 33 LEU H H 33 8.290 8.290 7.576 0.714 18812 5962 1 12 . 1 1 34 34 LEU N N 34 122.100 122.100 120.565 1.535 18812 5963 1 12 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.725 -0.415 18812 5964 1 12 . 1 1 34 34 LEU C C 34 177.300 177.300 176.948 0.352 18812 5965 1 12 . 1 1 34 34 LEU CA C 34 55.200 55.200 54.261 0.939 18812 5966 1 12 . 1 1 34 34 LEU CB C 34 41.900 41.900 42.085 -0.185 18812 5967 1 12 . 1 1 34 34 LEU H H 34 8.110 8.110 8.330 -0.220 18812 5968 1 12 . 1 1 35 35 ALA N N 35 123.400 123.400 124.020 -0.620 18812 5969 1 12 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.629 -0.349 18812 5970 1 12 . 1 1 35 35 ALA C C 35 177.600 177.600 176.904 0.696 18812 5971 1 12 . 1 1 35 35 ALA CA C 35 52.700 52.700 51.357 1.343 18812 5972 1 12 . 1 1 35 35 ALA CB C 35 18.800 18.800 19.966 -1.166 18812 5973 1 12 . 1 1 35 35 ALA H H 35 8.140 8.140 7.641 0.499 18812 5974 1 12 . 1 1 36 36 LEU N N 36 120.000 120.000 124.871 -4.871 18812 5975 1 12 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.438 -0.178 18812 5976 1 12 . 1 1 36 36 LEU CA C 36 55.500 55.500 54.162 1.338 18812 5977 1 12 . 1 1 36 36 LEU CB C 36 42.000 42.000 41.646 0.354 18812 5978 1 12 . 1 1 36 36 LEU H H 36 7.990 7.990 8.467 -0.477 18812 5979 1 12 . 1 1 37 37 LEU N N 37 122.700 122.700 123.721 -1.021 18812 5980 1 12 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.464 -0.084 18812 5981 1 12 . 1 1 37 37 LEU C C 37 177.100 177.100 177.225 -0.125 18812 5982 1 12 . 1 1 37 37 LEU CA C 37 55.000 55.000 55.158 -0.158 18812 5983 1 12 . 1 1 37 37 LEU CB C 37 42.100 42.100 42.297 -0.197 18812 5984 1 12 . 1 1 37 37 LEU H H 37 8.190 8.190 8.243 -0.053 18812 5985 1 12 . 1 1 38 38 ARG N N 38 121.600 121.600 120.230 1.370 18812 5986 1 12 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.560 -0.090 18812 5987 1 12 . 1 1 38 38 ARG C C 38 176.200 176.200 176.916 -0.716 18812 5988 1 12 . 1 1 38 38 ARG CA C 38 55.100 55.100 55.063 0.037 18812 5989 1 12 . 1 1 38 38 ARG CB C 38 31.200 31.200 32.052 -0.852 18812 5990 1 12 . 1 1 38 38 ARG H H 38 8.040 8.040 8.462 -0.422 18812 5991 1 12 . 1 1 39 39 ARG N N 39 123.600 123.600 121.197 2.403 18812 5992 1 12 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.441 -0.071 18812 5993 1 12 . 1 1 39 39 ARG C C 39 175.500 175.500 175.748 -0.248 18812 5994 1 12 . 1 1 39 39 ARG CA C 39 56.700 56.700 56.174 0.526 18812 5995 1 12 . 1 1 39 39 ARG CB C 39 31.200 31.200 28.210 2.990 18812 5996 1 12 . 1 1 39 39 ARG H H 39 8.840 8.840 8.765 0.075 18812 5997 1 12 . 1 1 40 40 THR N N 40 113.900 113.900 115.366 -1.466 18812 5998 1 12 . 1 1 40 40 THR HA H 40 4.770 4.770 4.460 0.310 18812 5999 1 12 . 1 1 40 40 THR C C 40 175.300 175.300 173.387 1.913 18812 6000 1 12 . 1 1 40 40 THR CA C 40 59.500 59.500 61.312 -1.812 18812 6001 1 12 . 1 1 40 40 THR CB C 40 71.700 71.700 69.904 1.796 18812 6002 1 12 . 1 1 40 40 THR H H 40 8.150 8.150 7.883 0.267 18812 6003 1 12 . 1 1 41 41 LEU N N 41 123.100 123.100 124.279 -1.179 18812 6004 1 12 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.784 -0.314 18812 6005 1 12 . 1 1 41 41 LEU C C 41 179.700 179.700 175.859 3.841 18812 6006 1 12 . 1 1 41 41 LEU CA C 41 54.900 54.900 54.654 0.247 18812 6007 1 12 . 1 1 41 41 LEU CB C 41 43.000 43.000 43.839 -0.839 18812 6008 1 12 . 1 1 41 41 LEU H H 41 9.480 9.480 8.526 0.954 18812 6009 1 12 . 1 1 42 42 THR N N 42 115.100 115.100 117.906 -2.806 18812 6010 1 12 . 1 1 42 42 THR HA H 42 4.580 4.580 4.250 0.330 18812 6011 1 12 . 1 1 42 42 THR C C 42 175.400 175.400 175.401 -0.001 18812 6012 1 12 . 1 1 42 42 THR CA C 42 60.900 60.900 61.162 -0.262 18812 6013 1 12 . 1 1 42 42 THR CB C 42 70.600 70.600 70.469 0.131 18812 6014 1 12 . 1 1 42 42 THR H H 42 8.790 8.790 8.237 0.553 18812 6015 1 12 . 1 1 43 43 GLU N N 43 121.400 121.400 122.672 -1.272 18812 6016 1 12 . 1 1 43 43 GLU HA H 43 4.020 4.020 4.009 0.011 18812 6017 1 12 . 1 1 43 43 GLU C C 43 179.100 179.100 178.322 0.778 18812 6018 1 12 . 1 1 43 43 GLU CA C 43 59.700 59.700 60.017 -0.317 18812 6019 1 12 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.589 -0.689 18812 6020 1 12 . 1 1 43 43 GLU H H 43 9.020 9.020 9.144 -0.124 18812 6021 1 12 . 1 1 44 44 GLU N N 44 118.300 118.300 118.492 -0.192 18812 6022 1 12 . 1 1 44 44 GLU HA H 44 4.020 4.020 4.196 -0.176 18812 6023 1 12 . 1 1 44 44 GLU C C 44 179.700 179.700 179.216 0.484 18812 6024 1 12 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.195 1.005 18812 6025 1 12 . 1 1 44 44 GLU CB C 44 29.000 29.000 29.293 -0.293 18812 6026 1 12 . 1 1 44 44 GLU H H 44 8.810 8.810 8.271 0.539 18812 6027 1 12 . 1 1 45 45 GLN N N 45 119.300 119.300 118.271 1.029 18812 6028 1 12 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.159 0.061 18812 6029 1 12 . 1 1 45 45 GLN C C 45 178.500 178.500 178.768 -0.268 18812 6030 1 12 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.117 0.183 18812 6031 1 12 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.507 0.693 18812 6032 1 12 . 1 1 45 45 GLN H H 45 7.800 7.800 7.717 0.083 18812 6033 1 12 . 1 1 46 46 VAL N N 46 121.000 121.000 121.330 -0.330 18812 6034 1 12 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.618 -0.218 18812 6035 1 12 . 1 1 46 46 VAL C C 46 177.500 177.500 178.316 -0.816 18812 6036 1 12 . 1 1 46 46 VAL CA C 46 67.600 67.600 67.075 0.525 18812 6037 1 12 . 1 1 46 46 VAL CB C 46 31.300 31.300 31.275 0.025 18812 6038 1 12 . 1 1 46 46 VAL H H 46 8.420 8.420 8.207 0.213 18812 6039 1 12 . 1 1 47 47 GLN N N 47 115.900 115.900 117.825 -1.925 18812 6040 1 12 . 1 1 47 47 GLN HA H 47 3.890 3.890 3.947 -0.057 18812 6041 1 12 . 1 1 47 47 GLN C C 47 178.500 178.500 178.370 0.130 18812 6042 1 12 . 1 1 47 47 GLN CA C 47 58.800 58.800 59.242 -0.442 18812 6043 1 12 . 1 1 47 47 GLN CB C 47 27.700 27.700 28.404 -0.704 18812 6044 1 12 . 1 1 47 47 GLN H H 47 7.470 7.470 8.672 -1.202 18812 6045 1 12 . 1 1 48 48 GLU N N 48 121.400 121.400 121.208 0.192 18812 6046 1 12 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.056 0.064 18812 6047 1 12 . 1 1 48 48 GLU C C 48 178.500 178.500 179.010 -0.510 18812 6048 1 12 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.733 -0.433 18812 6049 1 12 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.452 0.348 18812 6050 1 12 . 1 1 48 48 GLU H H 48 7.940 7.940 8.094 -0.154 18812 6051 1 12 . 1 1 49 49 VAL N N 49 120.300 120.300 119.549 0.751 18812 6052 1 12 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.864 -0.274 18812 6053 1 12 . 1 1 49 49 VAL CA C 49 67.200 67.200 66.622 0.578 18812 6054 1 12 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.242 0.258 18812 6055 1 12 . 1 1 49 49 VAL H H 49 8.580 8.580 8.263 0.317 18812 6056 1 12 . 1 1 50 50 VAL N N 50 118.700 118.700 117.992 0.708 18812 6057 1 12 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.753 -0.533 18812 6058 1 12 . 1 1 50 50 VAL C C 50 178.600 178.600 177.750 0.850 18812 6059 1 12 . 1 1 50 50 VAL CA C 50 67.500 67.500 66.399 1.101 18812 6060 1 12 . 1 1 50 50 VAL CB C 50 31.400 31.400 30.540 0.860 18812 6061 1 12 . 1 1 50 50 VAL H H 50 8.350 8.350 8.261 0.089 18812 6062 1 12 . 1 1 51 51 ALA N N 51 123.200 123.200 123.207 -0.007 18812 6063 1 12 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.085 -0.255 18812 6064 1 12 . 1 1 51 51 ALA C C 51 180.100 180.100 179.242 0.858 18812 6065 1 12 . 1 1 51 51 ALA CA C 51 55.300 55.300 55.028 0.272 18812 6066 1 12 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.483 -0.783 18812 6067 1 12 . 1 1 51 51 ALA H H 51 8.320 8.320 8.210 0.110 18812 6068 1 12 . 1 1 52 52 LYS N N 52 117.200 117.200 119.012 -1.812 18812 6069 1 12 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.288 -0.168 18812 6070 1 12 . 1 1 52 52 LYS C C 52 180.200 180.200 179.000 1.200 18812 6071 1 12 . 1 1 52 52 LYS CA C 52 59.200 59.200 58.255 0.945 18812 6072 1 12 . 1 1 52 52 LYS CB C 52 32.700 32.700 32.874 -0.174 18812 6073 1 12 . 1 1 52 52 LYS H H 52 8.170 8.170 7.858 0.312 18812 6074 1 12 . 1 1 53 53 LEU N N 53 118.600 118.600 119.765 -1.165 18812 6075 1 12 . 1 1 53 53 LEU HA H 53 3.390 3.390 3.651 -0.261 18812 6076 1 12 . 1 1 53 53 LEU C C 53 176.300 176.300 178.272 -1.972 18812 6077 1 12 . 1 1 53 53 LEU CA C 53 56.300 56.300 57.187 -0.887 18812 6078 1 12 . 1 1 53 53 LEU CB C 53 44.300 44.300 41.760 2.540 18812 6079 1 12 . 1 1 53 53 LEU H H 53 8.170 8.170 8.338 -0.168 18812 6080 1 12 . 1 1 54 54 THR N N 54 103.000 103.000 111.136 -8.136 18812 6081 1 12 . 1 1 54 54 THR HA H 54 3.490 3.490 4.203 -0.713 18812 6082 1 12 . 1 1 54 54 THR C C 54 173.600 173.600 174.794 -1.194 18812 6083 1 12 . 1 1 54 54 THR CA C 54 60.800 60.800 63.094 -2.294 18812 6084 1 12 . 1 1 54 54 THR CB C 54 69.700 69.700 68.735 0.965 18812 6085 1 12 . 1 1 54 54 THR H H 54 6.990 6.990 7.582 -0.592 18812 6086 1 12 . 1 1 55 55 ASP N N 55 126.400 126.400 121.772 4.628 18812 6087 1 12 . 1 1 55 55 ASP HA H 55 4.630 4.630 4.977 -0.347 18812 6088 1 12 . 1 1 55 55 ASP CA C 55 52.600 52.600 51.943 0.657 18812 6089 1 12 . 1 1 55 55 ASP CB C 55 42.200 42.200 41.416 0.784 18812 6090 1 12 . 1 1 55 55 ASP H H 55 6.900 6.900 7.836 -0.936 18812 6091 1 12 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.271 0.069 18812 6092 1 12 . 1 1 56 56 PRO C C 56 178.500 178.500 178.152 0.348 18812 6093 1 12 . 1 1 56 56 PRO CA C 56 65.100 65.100 64.695 0.405 18812 6094 1 12 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.251 -0.151 18812 6095 1 12 . 1 1 57 57 GLU N N 57 115.700 115.700 116.800 -1.100 18812 6096 1 12 . 1 1 57 57 GLU C C 57 176.300 176.300 177.586 -1.286 18812 6097 1 12 . 1 1 57 57 GLU CA C 57 59.600 59.600 58.751 0.849 18812 6098 1 12 . 1 1 57 57 GLU CB C 57 29.400 29.400 28.242 1.158 18812 6099 1 12 . 1 1 57 57 GLU H H 57 8.640 8.640 8.604 0.036 18812 6100 1 12 . 1 1 58 58 SER N N 58 115.000 115.000 115.100 -0.100 18812 6101 1 12 . 1 1 58 58 SER HA H 58 4.260 4.260 4.327 -0.067 18812 6102 1 12 . 1 1 58 58 SER C C 58 177.400 177.400 176.115 1.285 18812 6103 1 12 . 1 1 58 58 SER CA C 58 62.900 62.900 60.544 2.356 18812 6104 1 12 . 1 1 58 58 SER CB C 58 69.300 69.300 64.373 4.927 18812 6105 1 12 . 1 1 58 58 SER H H 58 8.180 8.180 7.748 0.432 18812 6106 1 12 . 1 1 60 60 ALA N N 60 123.000 123.000 120.833 2.167 18812 6107 1 12 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.376 0.254 18812 6108 1 12 . 1 1 60 60 ALA C C 60 180.600 180.600 178.209 2.391 18812 6109 1 12 . 1 1 60 60 ALA CA C 60 53.600 53.600 53.833 -0.233 18812 6110 1 12 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.428 0.772 18812 6111 1 12 . 1 1 60 60 ALA H H 60 8.020 8.020 7.920 0.100 18812 6112 1 12 . 1 1 61 61 GLN N N 61 114.000 114.000 117.580 -3.580 18812 6113 1 12 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.348 -0.328 18812 6114 1 12 . 1 1 61 61 GLN C C 61 176.900 176.900 177.824 -0.924 18812 6115 1 12 . 1 1 61 61 GLN CA C 61 54.900 54.900 56.450 -1.550 18812 6116 1 12 . 1 1 61 61 GLN CB C 61 28.500 28.500 30.068 -1.568 18812 6117 1 12 . 1 1 61 61 GLN H H 61 7.500 7.500 7.835 -0.335 18812 6118 1 12 . 1 1 62 62 ILE N N 62 123.900 123.900 120.201 3.699 18812 6119 1 12 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.735 0.045 18812 6120 1 12 . 1 1 62 62 ILE C C 62 176.800 176.800 177.328 -0.528 18812 6121 1 12 . 1 1 62 62 ILE CA C 62 65.900 65.900 64.366 1.534 18812 6122 1 12 . 1 1 62 62 ILE CB C 62 37.700 37.700 38.252 -0.552 18812 6123 1 12 . 1 1 62 62 ILE H H 62 7.240 7.240 8.267 -1.027 18812 6124 1 12 . 1 1 63 63 ASP N N 63 114.100 114.100 116.234 -2.134 18812 6125 1 12 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.649 0.161 18812 6126 1 12 . 1 1 63 63 ASP C C 63 177.500 177.500 176.865 0.635 18812 6127 1 12 . 1 1 63 63 ASP CA C 63 51.700 51.700 53.941 -2.241 18812 6128 1 12 . 1 1 63 63 ASP CB C 63 40.300 40.300 43.222 -2.922 18812 6129 1 12 . 1 1 63 63 ASP H H 63 7.860 7.860 7.958 -0.098 18812 6130 1 12 . 1 1 64 64 GLY N N 64 104.800 104.800 109.528 -4.728 18812 6131 1 12 . 1 1 64 64 GLY C C 64 173.400 173.400 173.128 0.272 18812 6132 1 12 . 1 1 64 64 GLY CA C 64 45.900 45.900 45.248 0.652 18812 6133 1 12 . 1 1 64 64 GLY H H 64 7.860 7.860 8.132 -0.272 18812 6134 1 12 . 1 1 65 65 VAL N N 65 117.700 117.700 119.888 -2.188 18812 6135 1 12 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.424 0.076 18812 6136 1 12 . 1 1 65 65 VAL C C 65 173.300 173.300 174.008 -0.708 18812 6137 1 12 . 1 1 65 65 VAL CA C 65 60.100 60.100 61.641 -1.540 18812 6138 1 12 . 1 1 65 65 VAL CB C 65 36.100 36.100 35.367 0.733 18812 6139 1 12 . 1 1 65 65 VAL H H 65 7.550 7.550 7.566 -0.016 18812 6140 1 12 . 1 1 66 66 VAL N N 66 129.500 129.500 125.227 4.273 18812 6141 1 12 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.548 0.182 18812 6142 1 12 . 1 1 66 66 VAL C C 66 174.300 174.300 174.060 0.240 18812 6143 1 12 . 1 1 66 66 VAL CA C 66 61.500 61.500 61.869 -0.369 18812 6144 1 12 . 1 1 66 66 VAL CB C 66 31.800 31.800 32.606 -0.806 18812 6145 1 12 . 1 1 66 66 VAL H H 66 8.540 8.540 8.533 0.007 18812 6146 1 12 . 1 1 67 67 SER N N 67 123.500 123.500 123.088 0.412 18812 6147 1 12 . 1 1 67 67 SER HA H 67 5.510 5.510 4.765 0.745 18812 6148 1 12 . 1 1 67 67 SER CA C 67 55.700 55.700 56.752 -1.052 18812 6149 1 12 . 1 1 67 67 SER CB C 67 66.100 66.100 65.831 0.269 18812 6150 1 12 . 1 1 67 67 SER H H 67 9.370 9.370 7.775 1.595 18812 6151 1 12 . 1 1 68 68 LYS C C 68 177.100 177.100 177.822 -0.722 18812 6152 1 12 . 1 1 69 69 ASP N N 69 114.800 114.800 116.556 -1.756 18812 6153 1 12 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.392 0.058 18812 6154 1 12 . 1 1 69 69 ASP C C 69 178.800 178.800 177.619 1.181 18812 6155 1 12 . 1 1 69 69 ASP CA C 69 56.900 56.900 56.466 0.434 18812 6156 1 12 . 1 1 69 69 ASP CB C 69 40.400 40.400 39.830 0.570 18812 6157 1 12 . 1 1 69 69 ASP H H 69 8.420 8.420 8.715 -0.295 18812 6158 1 12 . 1 1 70 70 GLU N N 70 120.300 120.300 119.934 0.366 18812 6159 1 12 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.068 0.082 18812 6160 1 12 . 1 1 70 70 GLU C C 70 178.000 178.000 178.567 -0.567 18812 6161 1 12 . 1 1 70 70 GLU CA C 70 59.200 59.200 59.123 0.077 18812 6162 1 12 . 1 1 70 70 GLU CB C 70 28.600 28.600 29.017 -0.417 18812 6163 1 12 . 1 1 70 70 GLU H H 70 7.600 7.600 8.274 -0.674 18812 6164 1 12 . 1 1 71 71 ILE N N 71 119.100 119.100 120.649 -1.549 18812 6165 1 12 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.521 -0.091 18812 6166 1 12 . 1 1 71 71 ILE C C 71 177.300 177.300 177.981 -0.681 18812 6167 1 12 . 1 1 71 71 ILE CA C 71 67.300 67.300 65.591 1.709 18812 6168 1 12 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.715 0.085 18812 6169 1 12 . 1 1 71 71 ILE H H 71 8.050 8.050 7.451 0.599 18812 6170 1 12 . 1 1 72 72 GLU N N 72 116.200 116.200 119.207 -3.007 18812 6171 1 12 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.911 -0.261 18812 6172 1 12 . 1 1 72 72 GLU C C 72 178.000 178.000 178.922 -0.922 18812 6173 1 12 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.568 1.432 18812 6174 1 12 . 1 1 72 72 GLU CB C 72 30.200 30.200 29.092 1.108 18812 6175 1 12 . 1 1 72 72 GLU H H 72 8.460 8.460 7.873 0.587 18812 6176 1 12 . 1 1 73 73 LYS N N 73 118.600 118.600 121.322 -2.722 18812 6177 1 12 . 1 1 73 73 LYS C C 73 179.000 179.000 178.719 0.281 18812 6178 1 12 . 1 1 73 73 LYS CA C 73 59.400 59.400 58.937 0.463 18812 6179 1 12 . 1 1 73 73 LYS CB C 73 32.600 32.600 31.991 0.609 18812 6180 1 12 . 1 1 73 73 LYS H H 73 8.020 8.020 7.965 0.055 18812 6181 1 12 . 1 1 74 74 PHE N N 74 118.500 118.500 117.931 0.569 18812 6182 1 12 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.489 -0.169 18812 6183 1 12 . 1 1 74 74 PHE C C 74 179.400 179.400 178.737 0.663 18812 6184 1 12 . 1 1 74 74 PHE CA C 74 61.300 61.300 60.532 0.768 18812 6185 1 12 . 1 1 74 74 PHE CB C 74 38.300 38.300 38.499 -0.199 18812 6186 1 12 . 1 1 74 74 PHE H H 74 8.870 8.870 8.453 0.417 18812 6187 1 12 . 1 1 75 75 ILE N N 75 119.000 119.000 119.488 -0.488 18812 6188 1 12 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.588 0.182 18812 6189 1 12 . 1 1 75 75 ILE C C 75 177.900 177.900 178.530 -0.630 18812 6190 1 12 . 1 1 75 75 ILE CA C 75 66.800 66.800 65.289 1.511 18812 6191 1 12 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.595 0.905 18812 6192 1 12 . 1 1 75 75 ILE H H 75 8.570 8.570 8.344 0.226 18812 6193 1 12 . 1 1 76 76 ALA N N 76 122.200 122.200 122.376 -0.176 18812 6194 1 12 . 1 1 76 76 ALA HA H 76 4.570 4.570 4.041 0.529 18812 6195 1 12 . 1 1 76 76 ALA C C 76 181.000 181.000 179.659 1.341 18812 6196 1 12 . 1 1 76 76 ALA CA C 76 54.600 54.600 55.291 -0.691 18812 6197 1 12 . 1 1 76 76 ALA CB C 76 18.400 18.400 17.981 0.419 18812 6198 1 12 . 1 1 76 76 ALA H H 76 8.230 8.230 8.332 -0.102 18812 6199 1 12 . 1 1 77 77 ASP N N 77 117.200 117.200 118.071 -0.871 18812 6200 1 12 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.402 0.038 18812 6201 1 12 . 1 1 77 77 ASP C C 77 177.200 177.200 177.350 -0.150 18812 6202 1 12 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.883 -0.183 18812 6203 1 12 . 1 1 77 77 ASP CB C 77 41.100 41.100 40.712 0.388 18812 6204 1 12 . 1 1 77 77 ASP H H 77 7.900 7.900 8.235 -0.335 18812 6205 1 12 . 1 1 78 78 VAL N N 78 118.100 118.100 117.482 0.618 18812 6206 1 12 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.059 -0.089 18812 6207 1 12 . 1 1 78 78 VAL C C 78 177.800 177.800 175.184 2.616 18812 6208 1 12 . 1 1 78 78 VAL CA C 78 64.800 64.800 62.285 2.515 18812 6209 1 12 . 1 1 78 78 VAL CB C 78 32.700 32.700 31.071 1.629 18812 6210 1 12 . 1 1 78 78 VAL H H 78 7.730 7.730 7.598 0.132 18812 6211 1 12 . 1 1 79 79 THR N N 79 109.800 109.800 110.877 -1.077 18812 6212 1 12 . 1 1 79 79 THR HA H 79 4.100 4.100 3.859 0.241 18812 6213 1 12 . 1 1 79 79 THR C C 79 175.700 175.700 174.228 1.472 18812 6214 1 12 . 1 1 79 79 THR CA C 79 69.400 69.400 64.190 5.210 18812 6215 1 12 . 1 1 79 79 THR CB C 79 63.100 63.100 67.032 -3.932 18812 6216 1 12 . 1 1 79 79 THR H H 79 8.830 8.830 7.754 1.076 18812 6217 1 12 . 1 1 80 80 LYS N N 80 115.700 115.700 120.292 -4.592 18812 6218 1 12 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.297 -0.287 18812 6219 1 12 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.153 -1.453 18812 6220 1 12 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.790 -4.390 18812 6221 1 12 . 1 1 80 80 LYS H H 80 8.440 8.440 7.443 0.997 18812 6222 1 12 . 1 1 81 81 ASP N N 81 119.600 119.600 116.367 3.233 18812 6223 1 12 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.228 0.622 18812 6224 1 12 . 1 1 81 81 ASP C C 81 174.400 174.400 175.404 -1.004 18812 6225 1 12 . 1 1 81 81 ASP CA C 81 51.200 51.200 57.353 -6.153 18812 6226 1 12 . 1 1 81 81 ASP CB C 81 44.400 44.400 39.607 4.793 18812 6227 1 12 . 1 1 81 81 ASP H H 81 8.140 8.140 7.849 0.291 18812 6228 1 12 . 1 1 82 82 GLU N N 82 120.500 120.500 123.181 -2.681 18812 6229 1 12 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.703 -0.253 18812 6230 1 12 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.846 0.354 18812 6231 1 12 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.593 -0.693 18812 6232 1 12 . 1 1 82 82 GLU H H 82 8.810 8.810 8.277 0.533 18812 6233 1 12 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.687 -0.037 18812 6234 1 12 . 1 1 83 83 PRO C C 83 176.900 176.900 176.266 0.634 18812 6235 1 12 . 1 1 83 83 PRO CA C 83 62.400 62.400 62.311 0.089 18812 6236 1 12 . 1 1 83 83 PRO CB C 83 32.600 32.600 31.812 0.788 18812 6237 1 12 . 1 1 84 84 THR N N 84 115.300 115.300 118.700 -3.400 18812 6238 1 12 . 1 1 84 84 THR HA H 84 4.590 4.590 4.421 0.169 18812 6239 1 12 . 1 1 84 84 THR C C 84 175.000 175.000 176.288 -1.288 18812 6240 1 12 . 1 1 84 84 THR CA C 84 59.800 59.800 59.519 0.281 18812 6241 1 12 . 1 1 84 84 THR CB C 84 71.700 71.700 71.420 0.280 18812 6242 1 12 . 1 1 84 84 THR H H 84 9.550 9.550 8.335 1.215 18812 6243 1 12 . 1 1 85 85 ALA N N 85 124.400 124.400 127.909 -3.509 18812 6244 1 12 . 1 1 85 85 ALA HA H 85 4.060 4.060 3.995 0.065 18812 6245 1 12 . 1 1 85 85 ALA C C 85 180.900 180.900 179.270 1.630 18812 6246 1 12 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.239 0.061 18812 6247 1 12 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.415 -0.415 18812 6248 1 12 . 1 1 85 85 ALA H H 85 8.970 8.970 8.781 0.189 18812 6249 1 12 . 1 1 86 86 GLN N N 86 116.500 116.500 118.296 -1.796 18812 6250 1 12 . 1 1 86 86 GLN HA H 86 4.120 4.120 3.984 0.136 18812 6251 1 12 . 1 1 86 86 GLN CA C 86 58.900 58.900 59.518 -0.618 18812 6252 1 12 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.318 -0.218 18812 6253 1 12 . 1 1 86 86 GLN H H 86 8.680 8.680 7.813 0.867 18812 6254 1 12 . 1 1 87 87 ASP N N 87 122.300 122.300 120.261 2.039 18812 6255 1 12 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.365 0.235 18812 6256 1 12 . 1 1 87 87 ASP C C 87 178.200 178.200 178.802 -0.602 18812 6257 1 12 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.679 0.121 18812 6258 1 12 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.340 -0.640 18812 6259 1 12 . 1 1 87 87 ASP H H 87 7.820 7.820 7.606 0.214 18812 6260 1 12 . 1 1 88 88 ILE N N 88 120.900 120.900 119.578 1.322 18812 6261 1 12 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.718 -0.238 18812 6262 1 12 . 1 1 88 88 ILE C C 88 177.800 177.800 178.264 -0.464 18812 6263 1 12 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.639 1.161 18812 6264 1 12 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.779 0.521 18812 6265 1 12 . 1 1 88 88 ILE H H 88 8.160 8.160 8.147 0.013 18812 6266 1 12 . 1 1 89 89 SER N N 89 113.200 113.200 115.355 -2.155 18812 6267 1 12 . 1 1 89 89 SER HA H 89 4.240 4.240 4.067 0.173 18812 6268 1 12 . 1 1 89 89 SER C C 89 177.200 177.200 176.557 0.643 18812 6269 1 12 . 1 1 89 89 SER CA C 89 61.700 61.700 62.288 -0.588 18812 6270 1 12 . 1 1 89 89 SER CB C 89 62.700 62.700 63.194 -0.493 18812 6271 1 12 . 1 1 89 89 SER H H 89 7.970 7.970 8.215 -0.245 18812 6272 1 12 . 1 1 90 90 ARG N N 90 123.100 123.100 121.125 1.975 18812 6273 1 12 . 1 1 90 90 ARG HA H 90 4.110 4.110 3.987 0.123 18812 6274 1 12 . 1 1 90 90 ARG CA C 90 59.900 59.900 59.528 0.372 18812 6275 1 12 . 1 1 90 90 ARG CB C 90 31.700 31.700 30.255 1.446 18812 6276 1 12 . 1 1 90 90 ARG H H 90 8.450 8.450 8.333 0.117 18812 6277 1 12 . 1 1 91 91 VAL N N 91 119.200 119.200 119.911 -0.711 18812 6278 1 12 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.616 -0.186 18812 6279 1 12 . 1 1 91 91 VAL C C 91 177.300 177.300 177.854 -0.554 18812 6280 1 12 . 1 1 91 91 VAL CA C 91 66.800 66.800 66.554 0.246 18812 6281 1 12 . 1 1 91 91 VAL CB C 91 31.700 31.700 31.569 0.131 18812 6282 1 12 . 1 1 91 91 VAL H H 91 8.140 8.140 8.449 -0.309 18812 6283 1 12 . 1 1 92 92 ALA N N 92 121.100 121.100 121.270 -0.170 18812 6284 1 12 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.948 0.012 18812 6285 1 12 . 1 1 92 92 ALA C C 92 179.200 179.200 179.845 -0.645 18812 6286 1 12 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.409 0.491 18812 6287 1 12 . 1 1 92 92 ALA CB C 92 18.400 18.400 18.079 0.321 18812 6288 1 12 . 1 1 92 92 ALA H H 92 9.020 9.020 8.360 0.660 18812 6289 1 12 . 1 1 93 93 SER N N 93 112.100 112.100 114.907 -2.807 18812 6290 1 12 . 1 1 93 93 SER HA H 93 4.240 4.240 4.203 0.037 18812 6291 1 12 . 1 1 93 93 SER C C 93 177.300 177.300 176.942 0.358 18812 6292 1 12 . 1 1 93 93 SER CA C 93 62.000 62.000 61.955 0.045 18812 6293 1 12 . 1 1 93 93 SER CB C 93 62.700 62.700 62.679 0.021 18812 6294 1 12 . 1 1 93 93 SER H H 93 8.730 8.730 8.129 0.601 18812 6295 1 12 . 1 1 94 94 ARG N N 94 122.500 122.500 121.560 0.940 18812 6296 1 12 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.100 0.160 18812 6297 1 12 . 1 1 94 94 ARG C C 94 179.900 179.900 178.961 0.939 18812 6298 1 12 . 1 1 94 94 ARG CA C 94 57.800 57.800 58.249 -0.449 18812 6299 1 12 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.678 -0.478 18812 6300 1 12 . 1 1 94 94 ARG H H 94 7.520 7.520 8.084 -0.564 18812 6301 1 12 . 1 1 95 95 LEU N N 95 121.500 121.500 117.388 4.112 18812 6302 1 12 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.255 -0.015 18812 6303 1 12 . 1 1 95 95 LEU C C 95 179.000 179.000 178.792 0.208 18812 6304 1 12 . 1 1 95 95 LEU CA C 95 58.100 58.100 57.762 0.338 18812 6305 1 12 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.677 1.123 18812 6306 1 12 . 1 1 95 95 LEU H H 95 8.350 8.350 8.109 0.241 18812 6307 1 12 . 1 1 96 96 ALA N N 96 121.900 121.900 122.487 -0.587 18812 6308 1 12 . 1 1 96 96 ALA HA H 96 4.320 4.320 3.975 0.345 18812 6309 1 12 . 1 1 96 96 ALA C C 96 182.200 182.200 179.288 2.912 18812 6310 1 12 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.939 0.161 18812 6311 1 12 . 1 1 96 96 ALA CB C 96 18.000 18.000 18.162 -0.162 18812 6312 1 12 . 1 1 96 96 ALA H H 96 8.740 8.740 8.193 0.547 18812 6313 1 12 . 1 1 97 97 ALA N N 97 121.400 121.400 118.567 2.833 18812 6314 1 12 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.159 0.071 18812 6315 1 12 . 1 1 97 97 ALA C C 97 179.200 179.200 178.348 0.852 18812 6316 1 12 . 1 1 97 97 ALA CA C 97 54.600 54.600 53.250 1.350 18812 6317 1 12 . 1 1 97 97 ALA CB C 97 18.000 18.000 19.283 -1.283 18812 6318 1 12 . 1 1 97 97 ALA H H 97 8.190 8.190 7.728 0.462 18812 6319 1 12 . 1 1 98 98 GLY N N 98 103.500 103.500 105.249 -1.749 18812 6320 1 12 . 1 1 98 98 GLY C C 98 173.700 173.700 174.106 -0.406 18812 6321 1 12 . 1 1 98 98 GLY CA C 98 44.800 44.800 44.173 0.627 18812 6322 1 12 . 1 1 98 98 GLY H H 98 7.710 7.710 7.990 -0.280 18812 6323 1 12 . 1 1 99 99 GLY N N 99 107.600 107.600 107.879 -0.279 18812 6324 1 12 . 1 1 99 99 GLY CA C 99 45.200 45.200 44.462 0.738 18812 6325 1 12 . 1 1 99 99 GLY H H 99 7.710 7.710 7.575 0.135 18812 6326 1 12 . 1 1 100 100 TRP N N 100 123.600 123.600 122.688 0.912 18812 6327 1 12 . 1 1 100 100 TRP CB C 100 52.300 52.300 28.959 23.341 18812 6328 1 12 . 1 1 100 100 TRP H H 100 7.820 7.820 8.663 -0.843 18812 6329 1 12 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.673 -0.743 18812 6330 1 12 . 1 1 101 101 PRO C C 101 175.600 175.600 176.019 -0.419 18812 6331 1 12 . 1 1 101 101 PRO CA C 101 62.600 62.600 63.447 -0.847 18812 6332 1 12 . 1 1 101 101 PRO CB C 101 34.200 34.200 32.591 1.609 18812 6333 1 12 . 1 1 102 102 LEU N N 102 122.800 122.800 119.900 2.900 18812 6334 1 12 . 1 1 102 102 LEU H H 102 8.470 8.470 7.502 0.968 18812 6335 1 12 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.262 0.398 18812 6336 1 12 . 1 1 103 103 ALA C C 103 177.100 177.100 176.621 0.479 18812 6337 1 12 . 1 1 103 103 ALA CA C 103 51.500 51.500 52.056 -0.556 18812 6338 1 12 . 1 1 103 103 ALA CB C 103 21.700 21.700 19.068 2.632 18812 6339 1 12 . 1 1 104 104 GLY N N 104 108.500 108.500 110.627 -2.127 18812 6340 1 12 . 1 1 104 104 GLY C C 104 173.900 173.900 174.393 -0.493 18812 6341 1 12 . 1 1 104 104 GLY CA C 104 45.900 45.900 45.532 0.368 18812 6342 1 12 . 1 1 104 104 GLY H H 104 8.700 8.700 8.493 0.207 18812 6343 1 12 . 1 1 105 105 VAL N N 105 116.700 116.700 120.864 -4.164 18812 6344 1 12 . 1 1 105 105 VAL HA H 105 4.220 4.220 4.052 0.168 18812 6345 1 12 . 1 1 105 105 VAL C C 105 174.700 174.700 174.984 -0.284 18812 6346 1 12 . 1 1 105 105 VAL CA C 105 61.000 61.000 61.877 -0.877 18812 6347 1 12 . 1 1 105 105 VAL CB C 105 33.100 33.100 32.442 0.658 18812 6348 1 12 . 1 1 105 105 VAL H H 105 7.660 7.660 7.801 -0.141 18812 6349 1 12 . 1 1 106 106 ASP N N 106 125.100 125.100 123.137 1.963 18812 6350 1 12 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.872 -0.202 18812 6351 1 12 . 1 1 106 106 ASP C C 106 176.500 176.500 175.231 1.269 18812 6352 1 12 . 1 1 106 106 ASP CA C 106 54.000 54.000 53.329 0.671 18812 6353 1 12 . 1 1 106 106 ASP CB C 106 41.300 41.300 42.610 -1.310 18812 6354 1 12 . 1 1 106 106 ASP H H 106 8.600 8.600 8.374 0.226 18812 6355 1 12 . 1 1 107 107 SER N N 107 117.400 117.400 114.602 2.798 18812 6356 1 12 . 1 1 107 107 SER HA H 107 4.320 4.320 4.767 -0.447 18812 6357 1 12 . 1 1 107 107 SER C C 107 175.400 175.400 175.738 -0.338 18812 6358 1 12 . 1 1 107 107 SER CA C 107 59.500 59.500 58.545 0.954 18812 6359 1 12 . 1 1 107 107 SER CB C 107 63.200 63.200 64.533 -1.333 18812 6360 1 12 . 1 1 107 107 SER H H 107 8.560 8.560 8.464 0.096 18812 6361 1 12 . 1 1 108 108 THR N N 108 115.100 115.100 121.053 -5.953 18812 6362 1 12 . 1 1 108 108 THR HA H 108 4.260 4.260 4.054 0.206 18812 6363 1 12 . 1 1 108 108 THR C C 108 174.800 174.800 175.938 -1.138 18812 6364 1 12 . 1 1 108 108 THR CA C 108 63.000 63.000 65.487 -2.487 18812 6365 1 12 . 1 1 108 108 THR CB C 108 69.300 69.300 68.744 0.556 18812 6366 1 12 . 1 1 108 108 THR H H 108 8.230 8.230 8.023 0.207 18812 6367 1 12 . 1 1 109 109 ALA N N 109 125.000 125.000 121.121 3.879 18812 6368 1 12 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.241 0.119 18812 6369 1 12 . 1 1 109 109 ALA C C 109 177.500 177.500 177.358 0.142 18812 6370 1 12 . 1 1 109 109 ALA CA C 109 52.500 52.500 53.324 -0.824 18812 6371 1 12 . 1 1 109 109 ALA CB C 109 19.100 19.100 18.573 0.527 18812 6372 1 12 . 1 1 109 109 ALA H H 109 8.020 8.020 8.816 -0.796 18812 6373 1 12 . 1 1 110 110 LEU N N 110 119.400 119.400 118.177 1.223 18812 6374 1 12 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.457 -0.107 18812 6375 1 12 . 1 1 110 110 LEU C C 110 176.800 176.800 177.113 -0.313 18812 6376 1 12 . 1 1 110 110 LEU CA C 110 55.000 55.000 55.660 -0.660 18812 6377 1 12 . 1 1 110 110 LEU CB C 110 42.000 42.000 43.435 -1.435 18812 6378 1 12 . 1 1 110 110 LEU H H 110 7.880 7.880 7.360 0.520 18812 6379 1 12 . 1 1 111 111 ASN N N 111 118.700 118.700 118.805 -0.105 18812 6380 1 12 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.493 0.237 18812 6381 1 12 . 1 1 111 111 ASN C C 111 173.600 173.600 174.302 -0.702 18812 6382 1 12 . 1 1 111 111 ASN CA C 111 52.900 52.900 54.444 -1.544 18812 6383 1 12 . 1 1 111 111 ASN CB C 111 39.000 39.000 38.058 0.942 18812 6384 1 12 . 1 1 111 111 ASN H H 111 8.230 8.230 7.803 0.427 18812 6385 1 13 . 1 1 10 10 GLY C C 10 174.100 174.100 173.613 0.487 18812 6386 1 13 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.824 0.476 18812 6387 1 13 . 1 1 10 10 GLY H H 10 8.500 8.500 8.334 0.166 18812 6388 1 13 . 1 1 11 11 THR N N 11 113.700 113.700 117.648 -3.948 18812 6389 1 13 . 1 1 11 11 THR HA H 11 4.350 4.350 4.459 -0.109 18812 6390 1 13 . 1 1 11 11 THR C C 11 174.700 174.700 175.590 -0.890 18812 6391 1 13 . 1 1 11 11 THR CA C 11 62.000 62.000 61.662 0.338 18812 6392 1 13 . 1 1 11 11 THR CB C 11 69.800 69.800 69.899 -0.099 18812 6393 1 13 . 1 1 11 11 THR H H 11 8.100 8.100 8.148 -0.048 18812 6394 1 13 . 1 1 12 12 LEU N N 12 124.100 124.100 124.193 -0.093 18812 6395 1 13 . 1 1 12 12 LEU C C 12 177.600 177.600 177.856 -0.256 18812 6396 1 13 . 1 1 12 12 LEU CA C 12 55.400 55.400 57.129 -1.729 18812 6397 1 13 . 1 1 12 12 LEU CB C 12 42.000 42.000 41.376 0.624 18812 6398 1 13 . 1 1 12 12 LEU H H 12 8.380 8.380 8.726 -0.346 18812 6399 1 13 . 1 1 13 13 GLU N N 13 121.500 121.500 116.524 4.976 18812 6400 1 13 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.357 -0.137 18812 6401 1 13 . 1 1 13 13 GLU C C 13 176.300 176.300 176.141 0.159 18812 6402 1 13 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.406 0.495 18812 6403 1 13 . 1 1 13 13 GLU CB C 13 29.600 29.600 29.767 -0.167 18812 6404 1 13 . 1 1 13 13 GLU H H 13 8.440 8.440 7.873 0.567 18812 6405 1 13 . 1 1 14 14 ALA N N 14 124.300 124.300 123.122 1.178 18812 6406 1 13 . 1 1 14 14 ALA CA C 14 52.600 52.600 52.744 -0.144 18812 6407 1 13 . 1 1 14 14 ALA CB C 14 19.000 19.000 16.965 2.035 18812 6408 1 13 . 1 1 14 14 ALA H H 14 8.280 8.280 8.195 0.085 18812 6409 1 13 . 1 1 15 15 GLN N N 15 118.700 118.700 118.809 -0.109 18812 6410 1 13 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.200 0.200 18812 6411 1 13 . 1 1 15 15 GLN C C 15 176.300 176.300 176.377 -0.077 18812 6412 1 13 . 1 1 15 15 GLN CA C 15 55.800 55.800 56.520 -0.720 18812 6413 1 13 . 1 1 15 15 GLN CB C 15 29.300 29.300 27.915 1.385 18812 6414 1 13 . 1 1 15 15 GLN H H 15 8.360 8.360 8.416 -0.056 18812 6415 1 13 . 1 1 16 16 THR N N 16 114.800 114.800 115.188 -0.388 18812 6416 1 13 . 1 1 16 16 THR C C 16 174.400 174.400 174.267 0.133 18812 6417 1 13 . 1 1 16 16 THR CA C 16 62.000 62.000 60.630 1.370 18812 6418 1 13 . 1 1 16 16 THR CB C 16 69.700 69.700 69.347 0.353 18812 6419 1 13 . 1 1 16 16 THR H H 16 8.200 8.200 8.158 0.042 18812 6420 1 13 . 1 1 17 17 GLN N N 17 122.200 122.200 121.981 0.219 18812 6421 1 13 . 1 1 17 17 GLN C C 17 175.900 175.900 176.079 -0.179 18812 6422 1 13 . 1 1 17 17 GLN CA C 17 55.500 55.500 56.677 -1.177 18812 6423 1 13 . 1 1 17 17 GLN CB C 17 29.600 29.600 28.597 1.003 18812 6424 1 13 . 1 1 17 17 GLN H H 17 8.430 8.430 8.128 0.302 18812 6425 1 13 . 1 1 18 18 GLY N N 18 110.100 110.100 112.250 -2.150 18812 6426 1 13 . 1 1 18 18 GLY CA C 18 44.500 44.500 44.476 0.024 18812 6427 1 13 . 1 1 18 18 GLY H H 18 8.360 8.360 8.234 0.126 18812 6428 1 13 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.542 -0.082 18812 6429 1 13 . 1 1 19 19 PRO C C 19 177.700 177.700 176.243 1.457 18812 6430 1 13 . 1 1 19 19 PRO CA C 19 63.600 63.600 62.178 1.422 18812 6431 1 13 . 1 1 19 19 PRO CB C 19 31.900 31.900 30.116 1.784 18812 6432 1 13 . 1 1 20 20 GLY N N 20 109.600 109.600 109.428 0.172 18812 6433 1 13 . 1 1 20 20 GLY C C 20 174.100 174.100 173.344 0.756 18812 6434 1 13 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.221 0.979 18812 6435 1 13 . 1 1 20 20 GLY H H 20 8.630 8.630 7.561 1.069 18812 6436 1 13 . 1 1 21 21 SER N N 21 115.300 115.300 116.918 -1.618 18812 6437 1 13 . 1 1 21 21 SER HA H 21 4.460 4.460 4.422 0.038 18812 6438 1 13 . 1 1 21 21 SER C C 21 174.100 174.100 174.423 -0.323 18812 6439 1 13 . 1 1 21 21 SER CA C 21 58.300 58.300 57.057 1.243 18812 6440 1 13 . 1 1 21 21 SER CB C 21 63.900 63.900 62.634 1.266 18812 6441 1 13 . 1 1 21 21 SER H H 21 8.150 8.150 8.402 -0.252 18812 6442 1 13 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.509 -0.069 18812 6443 1 13 . 1 1 22 22 PRO C C 22 176.800 176.800 175.832 0.968 18812 6444 1 13 . 1 1 22 22 PRO CA C 22 63.100 63.100 62.166 0.934 18812 6445 1 13 . 1 1 22 22 PRO CB C 22 32.100 32.100 30.235 1.865 18812 6446 1 13 . 1 1 23 23 GLU N N 23 120.900 120.900 120.896 0.004 18812 6447 1 13 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.142 0.138 18812 6448 1 13 . 1 1 23 23 GLU C C 23 177.000 177.000 177.539 -0.539 18812 6449 1 13 . 1 1 23 23 GLU CA C 23 56.600 56.600 57.023 -0.423 18812 6450 1 13 . 1 1 23 23 GLU CB C 23 30.400 30.400 28.532 1.867 18812 6451 1 13 . 1 1 23 23 GLU H H 23 8.630 8.630 7.982 0.648 18812 6452 1 13 . 1 1 24 24 GLY N N 24 109.800 109.800 112.291 -2.491 18812 6453 1 13 . 1 1 24 24 GLY C C 24 173.600 173.600 173.480 0.120 18812 6454 1 13 . 1 1 24 24 GLY CA C 24 45.100 45.100 44.910 0.190 18812 6455 1 13 . 1 1 24 24 GLY H H 24 8.450 8.450 8.706 -0.256 18812 6456 1 13 . 1 1 25 25 VAL N N 25 120.600 120.600 120.664 -0.064 18812 6457 1 13 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.506 -0.046 18812 6458 1 13 . 1 1 25 25 VAL CA C 25 59.700 59.700 59.153 0.547 18812 6459 1 13 . 1 1 25 25 VAL CB C 25 32.600 32.600 33.929 -1.329 18812 6460 1 13 . 1 1 25 25 VAL H H 25 7.990 7.990 7.521 0.469 18812 6461 1 13 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.487 0.033 18812 6462 1 13 . 1 1 27 27 PRO C C 27 177.200 177.200 176.588 0.612 18812 6463 1 13 . 1 1 27 27 PRO CA C 27 63.100 63.100 63.211 -0.111 18812 6464 1 13 . 1 1 27 27 PRO CB C 27 32.000 32.000 32.196 -0.196 18812 6465 1 13 . 1 1 28 28 THR N N 28 113.000 113.000 114.685 -1.685 18812 6466 1 13 . 1 1 28 28 THR HA H 28 4.270 4.270 4.219 0.051 18812 6467 1 13 . 1 1 28 28 THR C C 28 174.400 174.400 173.669 0.731 18812 6468 1 13 . 1 1 28 28 THR CA C 28 62.000 62.000 61.007 0.993 18812 6469 1 13 . 1 1 28 28 THR CB C 28 69.700 69.700 69.726 -0.026 18812 6470 1 13 . 1 1 28 28 THR H H 28 8.160 8.160 7.898 0.262 18812 6471 1 13 . 1 1 29 29 ASP N N 29 122.100 122.100 119.532 2.568 18812 6472 1 13 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.225 0.355 18812 6473 1 13 . 1 1 29 29 ASP CA C 29 54.300 54.300 55.568 -1.268 18812 6474 1 13 . 1 1 29 29 ASP CB C 29 40.900 40.900 41.105 -0.205 18812 6475 1 13 . 1 1 29 29 ASP H H 29 8.290 8.290 8.414 -0.124 18812 6476 1 13 . 1 1 30 30 ARG N N 30 120.300 120.300 120.603 -0.303 18812 6477 1 13 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.391 -0.201 18812 6478 1 13 . 1 1 30 30 ARG C C 30 175.600 175.600 175.754 -0.154 18812 6479 1 13 . 1 1 30 30 ARG CA C 30 56.200 56.200 54.942 1.258 18812 6480 1 13 . 1 1 30 30 ARG CB C 30 30.800 30.800 27.889 2.911 18812 6481 1 13 . 1 1 30 30 ARG H H 30 8.070 8.070 8.051 0.019 18812 6482 1 13 . 1 1 31 31 PHE N N 31 120.500 120.500 127.010 -6.510 18812 6483 1 13 . 1 1 31 31 PHE CB C 31 38.800 38.800 38.565 0.235 18812 6484 1 13 . 1 1 31 31 PHE H H 31 8.240 8.240 7.859 0.381 18812 6485 1 13 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.368 0.072 18812 6486 1 13 . 1 1 32 32 PRO C C 32 177.200 177.200 175.424 1.776 18812 6487 1 13 . 1 1 32 32 PRO CA C 32 63.400 63.400 63.239 0.161 18812 6488 1 13 . 1 1 32 32 PRO CB C 32 31.700 31.700 31.581 0.119 18812 6489 1 13 . 1 1 33 33 LEU N N 33 121.000 121.000 121.465 -0.465 18812 6490 1 13 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.470 -0.140 18812 6491 1 13 . 1 1 33 33 LEU CA C 33 55.600 55.600 54.163 1.438 18812 6492 1 13 . 1 1 33 33 LEU CB C 33 42.100 42.100 41.329 0.771 18812 6493 1 13 . 1 1 33 33 LEU H H 33 8.290 8.290 7.632 0.658 18812 6494 1 13 . 1 1 34 34 LEU N N 34 122.100 122.100 123.669 -1.569 18812 6495 1 13 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.425 -0.115 18812 6496 1 13 . 1 1 34 34 LEU C C 34 177.300 177.300 177.149 0.151 18812 6497 1 13 . 1 1 34 34 LEU CA C 34 55.200 55.200 54.408 0.792 18812 6498 1 13 . 1 1 34 34 LEU CB C 34 41.900 41.900 42.069 -0.169 18812 6499 1 13 . 1 1 34 34 LEU H H 34 8.110 8.110 8.527 -0.417 18812 6500 1 13 . 1 1 35 35 ALA N N 35 123.400 123.400 122.787 0.613 18812 6501 1 13 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.373 -0.093 18812 6502 1 13 . 1 1 35 35 ALA C C 35 177.600 177.600 177.912 -0.312 18812 6503 1 13 . 1 1 35 35 ALA CA C 35 52.700 52.700 52.590 0.110 18812 6504 1 13 . 1 1 35 35 ALA CB C 35 18.800 18.800 18.210 0.590 18812 6505 1 13 . 1 1 35 35 ALA H H 35 8.140 8.140 7.759 0.381 18812 6506 1 13 . 1 1 36 36 LEU N N 36 120.000 120.000 123.670 -3.670 18812 6507 1 13 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.340 -0.080 18812 6508 1 13 . 1 1 36 36 LEU CA C 36 55.500 55.500 54.152 1.348 18812 6509 1 13 . 1 1 36 36 LEU CB C 36 42.000 42.000 41.946 0.054 18812 6510 1 13 . 1 1 36 36 LEU H H 36 7.990 7.990 8.143 -0.153 18812 6511 1 13 . 1 1 37 37 LEU N N 37 122.700 122.700 121.512 1.188 18812 6512 1 13 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.198 0.182 18812 6513 1 13 . 1 1 37 37 LEU C C 37 177.100 177.100 175.937 1.163 18812 6514 1 13 . 1 1 37 37 LEU CA C 37 55.000 55.000 55.371 -0.371 18812 6515 1 13 . 1 1 37 37 LEU CB C 37 42.100 42.100 40.694 1.406 18812 6516 1 13 . 1 1 37 37 LEU H H 37 8.190 8.190 7.809 0.381 18812 6517 1 13 . 1 1 38 38 ARG N N 38 121.600 121.600 124.879 -3.279 18812 6518 1 13 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.583 -0.113 18812 6519 1 13 . 1 1 38 38 ARG C C 38 176.200 176.200 175.158 1.042 18812 6520 1 13 . 1 1 38 38 ARG CA C 38 55.100 55.100 53.936 1.164 18812 6521 1 13 . 1 1 38 38 ARG CB C 38 31.200 31.200 31.630 -0.430 18812 6522 1 13 . 1 1 38 38 ARG H H 38 8.040 8.040 7.984 0.056 18812 6523 1 13 . 1 1 39 39 ARG N N 39 123.600 123.600 120.134 3.466 18812 6524 1 13 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.034 0.336 18812 6525 1 13 . 1 1 39 39 ARG C C 39 175.500 175.500 174.606 0.894 18812 6526 1 13 . 1 1 39 39 ARG CA C 39 56.700 56.700 57.138 -0.438 18812 6527 1 13 . 1 1 39 39 ARG CB C 39 31.200 31.200 28.720 2.480 18812 6528 1 13 . 1 1 39 39 ARG H H 39 8.840 8.840 8.720 0.121 18812 6529 1 13 . 1 1 40 40 THR N N 40 113.900 113.900 111.652 2.248 18812 6530 1 13 . 1 1 40 40 THR HA H 40 4.770 4.770 4.528 0.242 18812 6531 1 13 . 1 1 40 40 THR C C 40 175.300 175.300 173.136 2.164 18812 6532 1 13 . 1 1 40 40 THR CA C 40 59.500 59.500 60.832 -1.332 18812 6533 1 13 . 1 1 40 40 THR CB C 40 71.700 71.700 70.987 0.713 18812 6534 1 13 . 1 1 40 40 THR H H 40 8.150 8.150 8.022 0.128 18812 6535 1 13 . 1 1 41 41 LEU N N 41 123.100 123.100 128.522 -5.422 18812 6536 1 13 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.675 -0.205 18812 6537 1 13 . 1 1 41 41 LEU C C 41 179.700 179.700 176.070 3.630 18812 6538 1 13 . 1 1 41 41 LEU CA C 41 54.900 54.900 54.023 0.877 18812 6539 1 13 . 1 1 41 41 LEU CB C 41 43.000 43.000 41.660 1.341 18812 6540 1 13 . 1 1 41 41 LEU H H 41 9.480 9.480 8.883 0.597 18812 6541 1 13 . 1 1 42 42 THR N N 42 115.100 115.100 117.221 -2.121 18812 6542 1 13 . 1 1 42 42 THR HA H 42 4.580 4.580 4.309 0.271 18812 6543 1 13 . 1 1 42 42 THR C C 42 175.400 175.400 175.818 -0.418 18812 6544 1 13 . 1 1 42 42 THR CA C 42 60.900 60.900 61.058 -0.158 18812 6545 1 13 . 1 1 42 42 THR CB C 42 70.600 70.600 70.710 -0.110 18812 6546 1 13 . 1 1 42 42 THR H H 42 8.790 8.790 8.063 0.727 18812 6547 1 13 . 1 1 43 43 GLU N N 43 121.400 121.400 122.559 -1.159 18812 6548 1 13 . 1 1 43 43 GLU HA H 43 4.020 4.020 3.936 0.084 18812 6549 1 13 . 1 1 43 43 GLU C C 43 179.100 179.100 178.687 0.413 18812 6550 1 13 . 1 1 43 43 GLU CA C 43 59.700 59.700 61.058 -1.358 18812 6551 1 13 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.186 -0.286 18812 6552 1 13 . 1 1 43 43 GLU H H 43 9.020 9.020 9.012 0.008 18812 6553 1 13 . 1 1 44 44 GLU N N 44 118.300 118.300 118.641 -0.341 18812 6554 1 13 . 1 1 44 44 GLU HA H 44 4.020 4.020 4.000 0.020 18812 6555 1 13 . 1 1 44 44 GLU C C 44 179.700 179.700 178.949 0.751 18812 6556 1 13 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.449 0.751 18812 6557 1 13 . 1 1 44 44 GLU CB C 44 29.000 29.000 29.084 -0.084 18812 6558 1 13 . 1 1 44 44 GLU H H 44 8.810 8.810 8.712 0.098 18812 6559 1 13 . 1 1 45 45 GLN N N 45 119.300 119.300 118.087 1.213 18812 6560 1 13 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.138 0.082 18812 6561 1 13 . 1 1 45 45 GLN C C 45 178.500 178.500 178.789 -0.289 18812 6562 1 13 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.348 -0.048 18812 6563 1 13 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.399 0.801 18812 6564 1 13 . 1 1 45 45 GLN H H 45 7.800 7.800 7.659 0.141 18812 6565 1 13 . 1 1 46 46 VAL N N 46 121.000 121.000 121.441 -0.441 18812 6566 1 13 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.576 -0.176 18812 6567 1 13 . 1 1 46 46 VAL C C 46 177.500 177.500 178.291 -0.791 18812 6568 1 13 . 1 1 46 46 VAL CA C 46 67.600 67.600 66.776 0.824 18812 6569 1 13 . 1 1 46 46 VAL CB C 46 31.300 31.300 31.410 -0.110 18812 6570 1 13 . 1 1 46 46 VAL H H 46 8.420 8.420 8.582 -0.162 18812 6571 1 13 . 1 1 47 47 GLN N N 47 115.900 115.900 117.628 -1.728 18812 6572 1 13 . 1 1 47 47 GLN HA H 47 3.890 3.890 3.993 -0.103 18812 6573 1 13 . 1 1 47 47 GLN C C 47 178.500 178.500 178.484 0.016 18812 6574 1 13 . 1 1 47 47 GLN CA C 47 58.800 58.800 58.581 0.219 18812 6575 1 13 . 1 1 47 47 GLN CB C 47 27.700 27.700 28.002 -0.302 18812 6576 1 13 . 1 1 47 47 GLN H H 47 7.470 7.470 8.584 -1.114 18812 6577 1 13 . 1 1 48 48 GLU N N 48 121.400 121.400 120.920 0.480 18812 6578 1 13 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.091 0.029 18812 6579 1 13 . 1 1 48 48 GLU C C 48 178.500 178.500 179.046 -0.546 18812 6580 1 13 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.629 -0.329 18812 6581 1 13 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.413 0.387 18812 6582 1 13 . 1 1 48 48 GLU H H 48 7.940 7.940 8.100 -0.160 18812 6583 1 13 . 1 1 49 49 VAL N N 49 120.300 120.300 119.995 0.305 18812 6584 1 13 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.761 -0.171 18812 6585 1 13 . 1 1 49 49 VAL CA C 49 67.200 67.200 66.450 0.750 18812 6586 1 13 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.378 0.122 18812 6587 1 13 . 1 1 49 49 VAL H H 49 8.580 8.580 8.136 0.444 18812 6588 1 13 . 1 1 50 50 VAL N N 50 118.700 118.700 119.437 -0.737 18812 6589 1 13 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.569 -0.349 18812 6590 1 13 . 1 1 50 50 VAL C C 50 178.600 178.600 177.873 0.727 18812 6591 1 13 . 1 1 50 50 VAL CA C 50 67.500 67.500 66.580 0.920 18812 6592 1 13 . 1 1 50 50 VAL CB C 50 31.400 31.400 30.974 0.426 18812 6593 1 13 . 1 1 50 50 VAL H H 50 8.350 8.350 8.219 0.131 18812 6594 1 13 . 1 1 51 51 ALA N N 51 123.200 123.200 122.573 0.627 18812 6595 1 13 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.104 -0.274 18812 6596 1 13 . 1 1 51 51 ALA C C 51 180.100 180.100 178.876 1.224 18812 6597 1 13 . 1 1 51 51 ALA CA C 51 55.300 55.300 54.804 0.496 18812 6598 1 13 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.503 -0.803 18812 6599 1 13 . 1 1 51 51 ALA H H 51 8.320 8.320 8.113 0.207 18812 6600 1 13 . 1 1 52 52 LYS N N 52 117.200 117.200 118.914 -1.714 18812 6601 1 13 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.502 -0.382 18812 6602 1 13 . 1 1 52 52 LYS C C 52 180.200 180.200 179.045 1.155 18812 6603 1 13 . 1 1 52 52 LYS CA C 52 59.200 59.200 58.447 0.753 18812 6604 1 13 . 1 1 52 52 LYS CB C 52 32.700 32.700 33.041 -0.341 18812 6605 1 13 . 1 1 52 52 LYS H H 52 8.170 8.170 7.935 0.235 18812 6606 1 13 . 1 1 53 53 LEU N N 53 118.600 118.600 119.228 -0.628 18812 6607 1 13 . 1 1 53 53 LEU HA H 53 3.390 3.390 3.878 -0.488 18812 6608 1 13 . 1 1 53 53 LEU C C 53 176.300 176.300 177.705 -1.405 18812 6609 1 13 . 1 1 53 53 LEU CA C 53 56.300 56.300 56.405 -0.105 18812 6610 1 13 . 1 1 53 53 LEU CB C 53 44.300 44.300 41.993 2.307 18812 6611 1 13 . 1 1 53 53 LEU H H 53 8.170 8.170 7.984 0.186 18812 6612 1 13 . 1 1 54 54 THR N N 54 103.000 103.000 112.526 -9.526 18812 6613 1 13 . 1 1 54 54 THR HA H 54 3.490 3.490 4.189 -0.699 18812 6614 1 13 . 1 1 54 54 THR C C 54 173.600 173.600 174.636 -1.036 18812 6615 1 13 . 1 1 54 54 THR CA C 54 60.800 60.800 63.797 -2.997 18812 6616 1 13 . 1 1 54 54 THR CB C 54 69.700 69.700 68.903 0.797 18812 6617 1 13 . 1 1 54 54 THR H H 54 6.990 6.990 7.546 -0.556 18812 6618 1 13 . 1 1 55 55 ASP N N 55 126.400 126.400 122.675 3.725 18812 6619 1 13 . 1 1 55 55 ASP HA H 55 4.630 4.630 5.166 -0.536 18812 6620 1 13 . 1 1 55 55 ASP CA C 55 52.600 52.600 51.778 0.822 18812 6621 1 13 . 1 1 55 55 ASP CB C 55 42.200 42.200 41.522 0.678 18812 6622 1 13 . 1 1 55 55 ASP H H 55 6.900 6.900 7.559 -0.659 18812 6623 1 13 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.250 0.090 18812 6624 1 13 . 1 1 56 56 PRO C C 56 178.500 178.500 178.279 0.221 18812 6625 1 13 . 1 1 56 56 PRO CA C 56 65.100 65.100 65.072 0.028 18812 6626 1 13 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.091 0.009 18812 6627 1 13 . 1 1 57 57 GLU N N 57 115.700 115.700 117.796 -2.096 18812 6628 1 13 . 1 1 57 57 GLU C C 57 176.300 176.300 178.386 -2.086 18812 6629 1 13 . 1 1 57 57 GLU CA C 57 59.600 59.600 59.606 -0.006 18812 6630 1 13 . 1 1 57 57 GLU CB C 57 29.400 29.400 29.058 0.342 18812 6631 1 13 . 1 1 57 57 GLU H H 57 8.640 8.640 8.722 -0.082 18812 6632 1 13 . 1 1 58 58 SER N N 58 115.000 115.000 114.873 0.127 18812 6633 1 13 . 1 1 58 58 SER HA H 58 4.260 4.260 4.250 0.010 18812 6634 1 13 . 1 1 58 58 SER C C 58 177.400 177.400 176.632 0.768 18812 6635 1 13 . 1 1 58 58 SER CA C 58 62.900 62.900 61.455 1.446 18812 6636 1 13 . 1 1 58 58 SER CB C 58 69.300 69.300 63.214 6.086 18812 6637 1 13 . 1 1 58 58 SER H H 58 8.180 8.180 7.639 0.541 18812 6638 1 13 . 1 1 60 60 ALA N N 60 123.000 123.000 122.868 0.132 18812 6639 1 13 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.071 0.559 18812 6640 1 13 . 1 1 60 60 ALA C C 60 180.600 180.600 179.685 0.915 18812 6641 1 13 . 1 1 60 60 ALA CA C 60 53.600 53.600 55.140 -1.540 18812 6642 1 13 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.476 0.724 18812 6643 1 13 . 1 1 60 60 ALA H H 60 8.020 8.020 8.309 -0.289 18812 6644 1 13 . 1 1 61 61 GLN N N 61 114.000 114.000 117.432 -3.432 18812 6645 1 13 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.190 -0.170 18812 6646 1 13 . 1 1 61 61 GLN C C 61 176.900 176.900 177.917 -1.017 18812 6647 1 13 . 1 1 61 61 GLN CA C 61 54.900 54.900 57.775 -2.875 18812 6648 1 13 . 1 1 61 61 GLN CB C 61 28.500 28.500 29.039 -0.539 18812 6649 1 13 . 1 1 61 61 GLN H H 61 7.500 7.500 7.861 -0.361 18812 6650 1 13 . 1 1 62 62 ILE N N 62 123.900 123.900 117.404 6.496 18812 6651 1 13 . 1 1 62 62 ILE HA H 62 3.780 3.780 4.014 -0.234 18812 6652 1 13 . 1 1 62 62 ILE C C 62 176.800 176.800 177.462 -0.662 18812 6653 1 13 . 1 1 62 62 ILE CA C 62 65.900 65.900 63.458 2.442 18812 6654 1 13 . 1 1 62 62 ILE CB C 62 37.700 37.700 38.277 -0.577 18812 6655 1 13 . 1 1 62 62 ILE H H 62 7.240 7.240 8.076 -0.836 18812 6656 1 13 . 1 1 63 63 ASP N N 63 114.100 114.100 117.917 -3.817 18812 6657 1 13 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.771 0.039 18812 6658 1 13 . 1 1 63 63 ASP C C 63 177.500 177.500 177.262 0.238 18812 6659 1 13 . 1 1 63 63 ASP CA C 63 51.700 51.700 53.327 -1.627 18812 6660 1 13 . 1 1 63 63 ASP CB C 63 40.300 40.300 42.895 -2.595 18812 6661 1 13 . 1 1 63 63 ASP H H 63 7.860 7.860 7.749 0.111 18812 6662 1 13 . 1 1 64 64 GLY N N 64 104.800 104.800 107.822 -3.022 18812 6663 1 13 . 1 1 64 64 GLY C C 64 173.400 173.400 173.626 -0.226 18812 6664 1 13 . 1 1 64 64 GLY CA C 64 45.900 45.900 45.901 -0.001 18812 6665 1 13 . 1 1 64 64 GLY H H 64 7.860 7.860 8.106 -0.246 18812 6666 1 13 . 1 1 65 65 VAL N N 65 117.700 117.700 117.496 0.204 18812 6667 1 13 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.302 0.198 18812 6668 1 13 . 1 1 65 65 VAL C C 65 173.300 173.300 174.167 -0.867 18812 6669 1 13 . 1 1 65 65 VAL CA C 65 60.100 60.100 61.014 -0.914 18812 6670 1 13 . 1 1 65 65 VAL CB C 65 36.100 36.100 34.798 1.302 18812 6671 1 13 . 1 1 65 65 VAL H H 65 7.550 7.550 7.398 0.152 18812 6672 1 13 . 1 1 66 66 VAL N N 66 129.500 129.500 128.413 1.087 18812 6673 1 13 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.431 0.299 18812 6674 1 13 . 1 1 66 66 VAL C C 66 174.300 174.300 175.083 -0.783 18812 6675 1 13 . 1 1 66 66 VAL CA C 66 61.500 61.500 61.777 -0.277 18812 6676 1 13 . 1 1 66 66 VAL CB C 66 31.800 31.800 32.787 -0.987 18812 6677 1 13 . 1 1 66 66 VAL H H 66 8.540 8.540 8.531 0.009 18812 6678 1 13 . 1 1 67 67 SER N N 67 123.500 123.500 121.901 1.599 18812 6679 1 13 . 1 1 67 67 SER HA H 67 5.510 5.510 4.764 0.746 18812 6680 1 13 . 1 1 67 67 SER CA C 67 55.700 55.700 56.713 -1.013 18812 6681 1 13 . 1 1 67 67 SER CB C 67 66.100 66.100 66.169 -0.069 18812 6682 1 13 . 1 1 67 67 SER H H 67 9.370 9.370 8.112 1.258 18812 6683 1 13 . 1 1 68 68 LYS C C 68 177.100 177.100 177.635 -0.535 18812 6684 1 13 . 1 1 69 69 ASP N N 69 114.800 114.800 117.116 -2.316 18812 6685 1 13 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.618 -0.168 18812 6686 1 13 . 1 1 69 69 ASP C C 69 178.800 178.800 177.802 0.998 18812 6687 1 13 . 1 1 69 69 ASP CA C 69 56.900 56.900 56.223 0.677 18812 6688 1 13 . 1 1 69 69 ASP CB C 69 40.400 40.400 39.885 0.515 18812 6689 1 13 . 1 1 69 69 ASP H H 69 8.420 8.420 8.464 -0.044 18812 6690 1 13 . 1 1 70 70 GLU N N 70 120.300 120.300 119.863 0.437 18812 6691 1 13 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.080 0.070 18812 6692 1 13 . 1 1 70 70 GLU C C 70 178.000 178.000 178.759 -0.759 18812 6693 1 13 . 1 1 70 70 GLU CA C 70 59.200 59.200 59.304 -0.104 18812 6694 1 13 . 1 1 70 70 GLU CB C 70 28.600 28.600 29.076 -0.476 18812 6695 1 13 . 1 1 70 70 GLU H H 70 7.600 7.600 8.334 -0.734 18812 6696 1 13 . 1 1 71 71 ILE N N 71 119.100 119.100 120.459 -1.359 18812 6697 1 13 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.569 -0.139 18812 6698 1 13 . 1 1 71 71 ILE C C 71 177.300 177.300 178.051 -0.751 18812 6699 1 13 . 1 1 71 71 ILE CA C 71 67.300 67.300 65.127 2.173 18812 6700 1 13 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.687 0.113 18812 6701 1 13 . 1 1 71 71 ILE H H 71 8.050 8.050 7.397 0.653 18812 6702 1 13 . 1 1 72 72 GLU N N 72 116.200 116.200 119.415 -3.215 18812 6703 1 13 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.891 -0.241 18812 6704 1 13 . 1 1 72 72 GLU C C 72 178.000 178.000 179.019 -1.019 18812 6705 1 13 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.810 1.190 18812 6706 1 13 . 1 1 72 72 GLU CB C 72 30.200 30.200 29.255 0.945 18812 6707 1 13 . 1 1 72 72 GLU H H 72 8.460 8.460 7.992 0.468 18812 6708 1 13 . 1 1 73 73 LYS N N 73 118.600 118.600 117.867 0.733 18812 6709 1 13 . 1 1 73 73 LYS C C 73 179.000 179.000 179.141 -0.141 18812 6710 1 13 . 1 1 73 73 LYS CA C 73 59.400 59.400 58.960 0.440 18812 6711 1 13 . 1 1 73 73 LYS CB C 73 32.600 32.600 32.093 0.507 18812 6712 1 13 . 1 1 73 73 LYS H H 73 8.020 8.020 7.506 0.514 18812 6713 1 13 . 1 1 74 74 PHE N N 74 118.500 118.500 119.620 -1.120 18812 6714 1 13 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.297 0.023 18812 6715 1 13 . 1 1 74 74 PHE C C 74 179.400 179.400 177.442 1.958 18812 6716 1 13 . 1 1 74 74 PHE CA C 74 61.300 61.300 61.561 -0.261 18812 6717 1 13 . 1 1 74 74 PHE CB C 74 38.300 38.300 38.986 -0.686 18812 6718 1 13 . 1 1 74 74 PHE H H 74 8.870 8.870 8.242 0.628 18812 6719 1 13 . 1 1 75 75 ILE N N 75 119.000 119.000 119.325 -0.325 18812 6720 1 13 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.614 0.156 18812 6721 1 13 . 1 1 75 75 ILE C C 75 177.900 177.900 178.024 -0.124 18812 6722 1 13 . 1 1 75 75 ILE CA C 75 66.800 66.800 65.007 1.794 18812 6723 1 13 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.886 0.614 18812 6724 1 13 . 1 1 75 75 ILE H H 75 8.570 8.570 8.245 0.325 18812 6725 1 13 . 1 1 76 76 ALA N N 76 122.200 122.200 121.153 1.047 18812 6726 1 13 . 1 1 76 76 ALA HA H 76 4.570 4.570 3.970 0.600 18812 6727 1 13 . 1 1 76 76 ALA C C 76 181.000 181.000 179.343 1.657 18812 6728 1 13 . 1 1 76 76 ALA CA C 76 54.600 54.600 54.968 -0.367 18812 6729 1 13 . 1 1 76 76 ALA CB C 76 18.400 18.400 17.774 0.626 18812 6730 1 13 . 1 1 76 76 ALA H H 76 8.230 8.230 8.232 -0.002 18812 6731 1 13 . 1 1 77 77 ASP N N 77 117.200 117.200 118.725 -1.525 18812 6732 1 13 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.402 0.038 18812 6733 1 13 . 1 1 77 77 ASP C C 77 177.200 177.200 177.286 -0.086 18812 6734 1 13 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.445 0.255 18812 6735 1 13 . 1 1 77 77 ASP CB C 77 41.100 41.100 41.140 -0.040 18812 6736 1 13 . 1 1 77 77 ASP H H 77 7.900 7.900 7.746 0.154 18812 6737 1 13 . 1 1 78 78 VAL N N 78 118.100 118.100 117.992 0.108 18812 6738 1 13 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.095 -0.125 18812 6739 1 13 . 1 1 78 78 VAL C C 78 177.800 177.800 175.014 2.786 18812 6740 1 13 . 1 1 78 78 VAL CA C 78 64.800 64.800 62.410 2.390 18812 6741 1 13 . 1 1 78 78 VAL CB C 78 32.700 32.700 30.477 2.223 18812 6742 1 13 . 1 1 78 78 VAL H H 78 7.730 7.730 7.574 0.156 18812 6743 1 13 . 1 1 79 79 THR N N 79 109.800 109.800 110.652 -0.852 18812 6744 1 13 . 1 1 79 79 THR HA H 79 4.100 4.100 3.962 0.138 18812 6745 1 13 . 1 1 79 79 THR C C 79 175.700 175.700 174.489 1.211 18812 6746 1 13 . 1 1 79 79 THR CA C 79 69.400 69.400 63.431 5.969 18812 6747 1 13 . 1 1 79 79 THR CB C 79 63.100 63.100 68.243 -5.143 18812 6748 1 13 . 1 1 79 79 THR H H 79 8.830 8.830 7.303 1.527 18812 6749 1 13 . 1 1 80 80 LYS N N 80 115.700 115.700 119.218 -3.518 18812 6750 1 13 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.130 -0.120 18812 6751 1 13 . 1 1 80 80 LYS CA C 80 55.700 55.700 56.646 -0.946 18812 6752 1 13 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.712 -4.312 18812 6753 1 13 . 1 1 80 80 LYS H H 80 8.440 8.440 7.854 0.586 18812 6754 1 13 . 1 1 81 81 ASP N N 81 119.600 119.600 117.755 1.845 18812 6755 1 13 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.234 0.616 18812 6756 1 13 . 1 1 81 81 ASP C C 81 174.400 174.400 175.491 -1.091 18812 6757 1 13 . 1 1 81 81 ASP CA C 81 51.200 51.200 57.002 -5.802 18812 6758 1 13 . 1 1 81 81 ASP CB C 81 44.400 44.400 39.930 4.470 18812 6759 1 13 . 1 1 81 81 ASP H H 81 8.140 8.140 7.922 0.218 18812 6760 1 13 . 1 1 82 82 GLU N N 82 120.500 120.500 121.519 -1.019 18812 6761 1 13 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.657 -0.207 18812 6762 1 13 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.709 0.492 18812 6763 1 13 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.287 -0.387 18812 6764 1 13 . 1 1 82 82 GLU H H 82 8.810 8.810 8.380 0.430 18812 6765 1 13 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.764 -0.114 18812 6766 1 13 . 1 1 83 83 PRO C C 83 176.900 176.900 176.253 0.647 18812 6767 1 13 . 1 1 83 83 PRO CA C 83 62.400 62.400 62.337 0.062 18812 6768 1 13 . 1 1 83 83 PRO CB C 83 32.600 32.600 31.340 1.260 18812 6769 1 13 . 1 1 84 84 THR N N 84 115.300 115.300 118.043 -2.743 18812 6770 1 13 . 1 1 84 84 THR HA H 84 4.590 4.590 4.403 0.187 18812 6771 1 13 . 1 1 84 84 THR C C 84 175.000 175.000 175.607 -0.607 18812 6772 1 13 . 1 1 84 84 THR CA C 84 59.800 59.800 59.738 0.062 18812 6773 1 13 . 1 1 84 84 THR CB C 84 71.700 71.700 71.073 0.627 18812 6774 1 13 . 1 1 84 84 THR H H 84 9.550 9.550 8.657 0.893 18812 6775 1 13 . 1 1 85 85 ALA N N 85 124.400 124.400 125.812 -1.412 18812 6776 1 13 . 1 1 85 85 ALA HA H 85 4.060 4.060 4.074 -0.014 18812 6777 1 13 . 1 1 85 85 ALA C C 85 180.900 180.900 179.521 1.379 18812 6778 1 13 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.536 -0.236 18812 6779 1 13 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.510 -0.510 18812 6780 1 13 . 1 1 85 85 ALA H H 85 8.970 8.970 8.809 0.161 18812 6781 1 13 . 1 1 86 86 GLN N N 86 116.500 116.500 118.288 -1.788 18812 6782 1 13 . 1 1 86 86 GLN HA H 86 4.120 4.120 3.989 0.131 18812 6783 1 13 . 1 1 86 86 GLN CA C 86 58.900 58.900 59.526 -0.626 18812 6784 1 13 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.282 -0.182 18812 6785 1 13 . 1 1 86 86 GLN H H 86 8.680 8.680 8.124 0.556 18812 6786 1 13 . 1 1 87 87 ASP N N 87 122.300 122.300 120.122 2.178 18812 6787 1 13 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.391 0.209 18812 6788 1 13 . 1 1 87 87 ASP C C 87 178.200 178.200 178.908 -0.708 18812 6789 1 13 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.592 0.208 18812 6790 1 13 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.506 -0.806 18812 6791 1 13 . 1 1 87 87 ASP H H 87 7.820 7.820 7.584 0.236 18812 6792 1 13 . 1 1 88 88 ILE N N 88 120.900 120.900 120.088 0.812 18812 6793 1 13 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.659 -0.179 18812 6794 1 13 . 1 1 88 88 ILE C C 88 177.800 177.800 178.186 -0.386 18812 6795 1 13 . 1 1 88 88 ILE CA C 88 65.800 65.800 65.475 0.325 18812 6796 1 13 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.828 0.471 18812 6797 1 13 . 1 1 88 88 ILE H H 88 8.160 8.160 8.270 -0.110 18812 6798 1 13 . 1 1 89 89 SER N N 89 113.200 113.200 115.662 -2.462 18812 6799 1 13 . 1 1 89 89 SER HA H 89 4.240 4.240 4.113 0.127 18812 6800 1 13 . 1 1 89 89 SER C C 89 177.200 177.200 177.145 0.055 18812 6801 1 13 . 1 1 89 89 SER CA C 89 61.700 61.700 62.128 -0.428 18812 6802 1 13 . 1 1 89 89 SER CB C 89 62.700 62.700 62.936 -0.236 18812 6803 1 13 . 1 1 89 89 SER H H 89 7.970 7.970 8.368 -0.398 18812 6804 1 13 . 1 1 90 90 ARG N N 90 123.100 123.100 122.272 0.828 18812 6805 1 13 . 1 1 90 90 ARG HA H 90 4.110 4.110 4.058 0.052 18812 6806 1 13 . 1 1 90 90 ARG CA C 90 59.900 59.900 59.411 0.489 18812 6807 1 13 . 1 1 90 90 ARG CB C 90 31.700 31.700 30.263 1.437 18812 6808 1 13 . 1 1 90 90 ARG H H 90 8.450 8.450 8.098 0.352 18812 6809 1 13 . 1 1 91 91 VAL N N 91 119.200 119.200 119.771 -0.571 18812 6810 1 13 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.696 -0.266 18812 6811 1 13 . 1 1 91 91 VAL C C 91 177.300 177.300 178.111 -0.811 18812 6812 1 13 . 1 1 91 91 VAL CA C 91 66.800 66.800 66.091 0.709 18812 6813 1 13 . 1 1 91 91 VAL CB C 91 31.700 31.700 30.977 0.723 18812 6814 1 13 . 1 1 91 91 VAL H H 91 8.140 8.140 8.446 -0.306 18812 6815 1 13 . 1 1 92 92 ALA N N 92 121.100 121.100 121.226 -0.126 18812 6816 1 13 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.995 -0.035 18812 6817 1 13 . 1 1 92 92 ALA C C 92 179.200 179.200 180.037 -0.837 18812 6818 1 13 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.512 0.388 18812 6819 1 13 . 1 1 92 92 ALA CB C 92 18.400 18.400 18.329 0.070 18812 6820 1 13 . 1 1 92 92 ALA H H 92 9.020 9.020 8.581 0.439 18812 6821 1 13 . 1 1 93 93 SER N N 93 112.100 112.100 114.196 -2.096 18812 6822 1 13 . 1 1 93 93 SER HA H 93 4.240 4.240 4.209 0.031 18812 6823 1 13 . 1 1 93 93 SER C C 93 177.300 177.300 176.991 0.309 18812 6824 1 13 . 1 1 93 93 SER CA C 93 62.000 62.000 61.604 0.396 18812 6825 1 13 . 1 1 93 93 SER CB C 93 62.700 62.700 62.883 -0.183 18812 6826 1 13 . 1 1 93 93 SER H H 93 8.730 8.730 8.114 0.616 18812 6827 1 13 . 1 1 94 94 ARG N N 94 122.500 122.500 122.826 -0.326 18812 6828 1 13 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.112 0.148 18812 6829 1 13 . 1 1 94 94 ARG C C 94 179.900 179.900 178.954 0.946 18812 6830 1 13 . 1 1 94 94 ARG CA C 94 57.800 57.800 58.187 -0.387 18812 6831 1 13 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.575 -0.375 18812 6832 1 13 . 1 1 94 94 ARG H H 94 7.520 7.520 8.099 -0.579 18812 6833 1 13 . 1 1 95 95 LEU N N 95 121.500 121.500 117.026 4.474 18812 6834 1 13 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.288 -0.048 18812 6835 1 13 . 1 1 95 95 LEU C C 95 179.000 179.000 178.917 0.083 18812 6836 1 13 . 1 1 95 95 LEU CA C 95 58.100 58.100 57.692 0.408 18812 6837 1 13 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.944 0.856 18812 6838 1 13 . 1 1 95 95 LEU H H 95 8.350 8.350 8.093 0.257 18812 6839 1 13 . 1 1 96 96 ALA N N 96 121.900 121.900 121.712 0.188 18812 6840 1 13 . 1 1 96 96 ALA HA H 96 4.320 4.320 4.076 0.244 18812 6841 1 13 . 1 1 96 96 ALA C C 96 182.200 182.200 179.447 2.753 18812 6842 1 13 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.442 0.658 18812 6843 1 13 . 1 1 96 96 ALA CB C 96 18.000 18.000 18.505 -0.505 18812 6844 1 13 . 1 1 96 96 ALA H H 96 8.740 8.740 8.133 0.607 18812 6845 1 13 . 1 1 97 97 ALA N N 97 121.400 121.400 120.083 1.317 18812 6846 1 13 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.295 -0.065 18812 6847 1 13 . 1 1 97 97 ALA C C 97 179.200 179.200 178.724 0.476 18812 6848 1 13 . 1 1 97 97 ALA CA C 97 54.600 54.600 53.285 1.315 18812 6849 1 13 . 1 1 97 97 ALA CB C 97 18.000 18.000 18.700 -0.700 18812 6850 1 13 . 1 1 97 97 ALA H H 97 8.190 8.190 7.902 0.288 18812 6851 1 13 . 1 1 98 98 GLY N N 98 103.500 103.500 106.567 -3.067 18812 6852 1 13 . 1 1 98 98 GLY C C 98 173.700 173.700 174.958 -1.258 18812 6853 1 13 . 1 1 98 98 GLY CA C 98 44.800 44.800 44.506 0.294 18812 6854 1 13 . 1 1 98 98 GLY H H 98 7.710 7.710 7.609 0.101 18812 6855 1 13 . 1 1 99 99 GLY N N 99 107.600 107.600 107.828 -0.228 18812 6856 1 13 . 1 1 99 99 GLY CA C 99 45.200 45.200 44.737 0.463 18812 6857 1 13 . 1 1 99 99 GLY H H 99 7.710 7.710 7.231 0.479 18812 6858 1 13 . 1 1 100 100 TRP N N 100 123.600 123.600 123.044 0.556 18812 6859 1 13 . 1 1 100 100 TRP CB C 100 52.300 52.300 29.430 22.870 18812 6860 1 13 . 1 1 100 100 TRP H H 100 7.820 7.820 8.475 -0.655 18812 6861 1 13 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.619 -0.689 18812 6862 1 13 . 1 1 101 101 PRO C C 101 175.600 175.600 175.421 0.179 18812 6863 1 13 . 1 1 101 101 PRO CA C 101 62.600 62.600 63.060 -0.460 18812 6864 1 13 . 1 1 101 101 PRO CB C 101 34.200 34.200 32.696 1.504 18812 6865 1 13 . 1 1 102 102 LEU N N 102 122.800 122.800 121.551 1.249 18812 6866 1 13 . 1 1 102 102 LEU H H 102 8.470 8.470 7.340 1.130 18812 6867 1 13 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.320 0.340 18812 6868 1 13 . 1 1 103 103 ALA C C 103 177.100 177.100 177.217 -0.117 18812 6869 1 13 . 1 1 103 103 ALA CA C 103 51.500 51.500 51.698 -0.198 18812 6870 1 13 . 1 1 103 103 ALA CB C 103 21.700 21.700 18.128 3.572 18812 6871 1 13 . 1 1 104 104 GLY N N 104 108.500 108.500 110.551 -2.051 18812 6872 1 13 . 1 1 104 104 GLY C C 104 173.900 173.900 174.121 -0.221 18812 6873 1 13 . 1 1 104 104 GLY CA C 104 45.900 45.900 45.058 0.842 18812 6874 1 13 . 1 1 104 104 GLY H H 104 8.700 8.700 7.311 1.389 18812 6875 1 13 . 1 1 105 105 VAL N N 105 116.700 116.700 120.526 -3.826 18812 6876 1 13 . 1 1 105 105 VAL HA H 105 4.220 4.220 4.281 -0.061 18812 6877 1 13 . 1 1 105 105 VAL C C 105 174.700 174.700 175.266 -0.566 18812 6878 1 13 . 1 1 105 105 VAL CA C 105 61.000 61.000 60.985 0.015 18812 6879 1 13 . 1 1 105 105 VAL CB C 105 33.100 33.100 32.452 0.648 18812 6880 1 13 . 1 1 105 105 VAL H H 105 7.660 7.660 7.852 -0.192 18812 6881 1 13 . 1 1 106 106 ASP N N 106 125.100 125.100 124.183 0.917 18812 6882 1 13 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.600 0.070 18812 6883 1 13 . 1 1 106 106 ASP C C 106 176.500 176.500 177.187 -0.687 18812 6884 1 13 . 1 1 106 106 ASP CA C 106 54.000 54.000 55.221 -1.220 18812 6885 1 13 . 1 1 106 106 ASP CB C 106 41.300 41.300 40.614 0.686 18812 6886 1 13 . 1 1 106 106 ASP H H 106 8.600 8.600 8.405 0.195 18812 6887 1 13 . 1 1 107 107 SER N N 107 117.400 117.400 120.360 -2.960 18812 6888 1 13 . 1 1 107 107 SER HA H 107 4.320 4.320 4.175 0.145 18812 6889 1 13 . 1 1 107 107 SER C C 107 175.400 175.400 176.463 -1.063 18812 6890 1 13 . 1 1 107 107 SER CA C 107 59.500 59.500 61.495 -1.994 18812 6891 1 13 . 1 1 107 107 SER CB C 107 63.200 63.200 62.852 0.348 18812 6892 1 13 . 1 1 107 107 SER H H 107 8.560 8.560 8.575 -0.015 18812 6893 1 13 . 1 1 108 108 THR N N 108 115.100 115.100 112.406 2.694 18812 6894 1 13 . 1 1 108 108 THR HA H 108 4.260 4.260 4.173 0.087 18812 6895 1 13 . 1 1 108 108 THR C C 108 174.800 174.800 174.859 -0.059 18812 6896 1 13 . 1 1 108 108 THR CA C 108 63.000 63.000 64.411 -1.411 18812 6897 1 13 . 1 1 108 108 THR CB C 108 69.300 69.300 68.620 0.680 18812 6898 1 13 . 1 1 108 108 THR H H 108 8.230 8.230 8.127 0.103 18812 6899 1 13 . 1 1 109 109 ALA N N 109 125.000 125.000 122.448 2.552 18812 6900 1 13 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.550 -0.190 18812 6901 1 13 . 1 1 109 109 ALA C C 109 177.500 177.500 176.747 0.753 18812 6902 1 13 . 1 1 109 109 ALA CA C 109 52.500 52.500 51.600 0.900 18812 6903 1 13 . 1 1 109 109 ALA CB C 109 19.100 19.100 19.679 -0.579 18812 6904 1 13 . 1 1 109 109 ALA H H 109 8.020 8.020 7.679 0.341 18812 6905 1 13 . 1 1 110 110 LEU N N 110 119.400 119.400 120.175 -0.775 18812 6906 1 13 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.489 -0.139 18812 6907 1 13 . 1 1 110 110 LEU C C 110 176.800 176.800 174.904 1.896 18812 6908 1 13 . 1 1 110 110 LEU CA C 110 55.000 55.000 54.328 0.672 18812 6909 1 13 . 1 1 110 110 LEU CB C 110 42.000 42.000 41.546 0.454 18812 6910 1 13 . 1 1 110 110 LEU H H 110 7.880 7.880 7.405 0.475 18812 6911 1 13 . 1 1 111 111 ASN N N 111 118.700 118.700 114.227 4.473 18812 6912 1 13 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.802 -0.072 18812 6913 1 13 . 1 1 111 111 ASN C C 111 173.600 173.600 173.955 -0.355 18812 6914 1 13 . 1 1 111 111 ASN CA C 111 52.900 52.900 52.234 0.666 18812 6915 1 13 . 1 1 111 111 ASN CB C 111 39.000 39.000 39.444 -0.444 18812 6916 1 13 . 1 1 111 111 ASN H H 111 8.230 8.230 8.105 0.125 18812 6917 1 14 . 1 1 10 10 GLY C C 10 174.100 174.100 173.975 0.125 18812 6918 1 14 . 1 1 10 10 GLY CA C 10 45.300 45.300 45.306 -0.006 18812 6919 1 14 . 1 1 10 10 GLY H H 10 8.500 8.500 8.913 -0.413 18812 6920 1 14 . 1 1 11 11 THR N N 11 113.700 113.700 113.289 0.411 18812 6921 1 14 . 1 1 11 11 THR HA H 11 4.350 4.350 4.249 0.101 18812 6922 1 14 . 1 1 11 11 THR C C 11 174.700 174.700 175.064 -0.364 18812 6923 1 14 . 1 1 11 11 THR CA C 11 62.000 62.000 61.886 0.114 18812 6924 1 14 . 1 1 11 11 THR CB C 11 69.800 69.800 69.543 0.257 18812 6925 1 14 . 1 1 11 11 THR H H 11 8.100 8.100 7.709 0.391 18812 6926 1 14 . 1 1 12 12 LEU N N 12 124.100 124.100 124.590 -0.490 18812 6927 1 14 . 1 1 12 12 LEU C C 12 177.600 177.600 177.473 0.127 18812 6928 1 14 . 1 1 12 12 LEU CA C 12 55.400 55.400 54.738 0.662 18812 6929 1 14 . 1 1 12 12 LEU CB C 12 42.000 42.000 42.460 -0.460 18812 6930 1 14 . 1 1 12 12 LEU H H 12 8.380 8.380 8.302 0.078 18812 6931 1 14 . 1 1 13 13 GLU N N 13 121.500 121.500 119.880 1.620 18812 6932 1 14 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.598 -0.378 18812 6933 1 14 . 1 1 13 13 GLU C C 13 176.300 176.300 175.322 0.978 18812 6934 1 14 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.687 1.213 18812 6935 1 14 . 1 1 13 13 GLU CB C 13 29.600 29.600 31.216 -1.616 18812 6936 1 14 . 1 1 13 13 GLU H H 13 8.440 8.440 8.444 -0.004 18812 6937 1 14 . 1 1 14 14 ALA N N 14 124.300 124.300 126.308 -2.008 18812 6938 1 14 . 1 1 14 14 ALA CA C 14 52.600 52.600 51.274 1.326 18812 6939 1 14 . 1 1 14 14 ALA CB C 14 19.000 19.000 20.230 -1.230 18812 6940 1 14 . 1 1 14 14 ALA H H 14 8.280 8.280 8.229 0.051 18812 6941 1 14 . 1 1 15 15 GLN N N 15 118.700 118.700 123.016 -4.316 18812 6942 1 14 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.358 0.042 18812 6943 1 14 . 1 1 15 15 GLN C C 15 176.300 176.300 176.375 -0.075 18812 6944 1 14 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.531 0.269 18812 6945 1 14 . 1 1 15 15 GLN CB C 15 29.300 29.300 28.835 0.465 18812 6946 1 14 . 1 1 15 15 GLN H H 15 8.360 8.360 8.506 -0.146 18812 6947 1 14 . 1 1 16 16 THR N N 16 114.800 114.800 114.940 -0.140 18812 6948 1 14 . 1 1 16 16 THR C C 16 174.400 174.400 175.035 -0.635 18812 6949 1 14 . 1 1 16 16 THR CA C 16 62.000 62.000 62.083 -0.083 18812 6950 1 14 . 1 1 16 16 THR CB C 16 69.700 69.700 68.863 0.837 18812 6951 1 14 . 1 1 16 16 THR H H 16 8.200 8.200 8.605 -0.405 18812 6952 1 14 . 1 1 17 17 GLN N N 17 122.200 122.200 119.161 3.039 18812 6953 1 14 . 1 1 17 17 GLN C C 17 175.900 175.900 175.398 0.502 18812 6954 1 14 . 1 1 17 17 GLN CA C 17 55.500 55.500 55.520 -0.020 18812 6955 1 14 . 1 1 17 17 GLN CB C 17 29.600 29.600 28.415 1.185 18812 6956 1 14 . 1 1 17 17 GLN H H 17 8.430 8.430 8.110 0.320 18812 6957 1 14 . 1 1 18 18 GLY N N 18 110.100 110.100 108.954 1.146 18812 6958 1 14 . 1 1 18 18 GLY CA C 18 44.500 44.500 44.198 0.302 18812 6959 1 14 . 1 1 18 18 GLY H H 18 8.360 8.360 7.452 0.908 18812 6960 1 14 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.382 0.078 18812 6961 1 14 . 1 1 19 19 PRO C C 19 177.700 177.700 177.316 0.384 18812 6962 1 14 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.853 -0.253 18812 6963 1 14 . 1 1 19 19 PRO CB C 19 31.900 31.900 31.420 0.480 18812 6964 1 14 . 1 1 20 20 GLY N N 20 109.600 109.600 114.564 -4.964 18812 6965 1 14 . 1 1 20 20 GLY C C 20 174.100 174.100 173.542 0.558 18812 6966 1 14 . 1 1 20 20 GLY CA C 20 45.200 45.200 46.336 -1.136 18812 6967 1 14 . 1 1 20 20 GLY H H 20 8.630 8.630 8.402 0.228 18812 6968 1 14 . 1 1 21 21 SER N N 21 115.300 115.300 116.402 -1.102 18812 6969 1 14 . 1 1 21 21 SER HA H 21 4.460 4.460 4.746 -0.286 18812 6970 1 14 . 1 1 21 21 SER C C 21 174.100 174.100 171.978 2.122 18812 6971 1 14 . 1 1 21 21 SER CA C 21 58.300 58.300 56.841 1.459 18812 6972 1 14 . 1 1 21 21 SER CB C 21 63.900 63.900 63.778 0.122 18812 6973 1 14 . 1 1 21 21 SER H H 21 8.150 8.150 7.943 0.207 18812 6974 1 14 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.476 -0.036 18812 6975 1 14 . 1 1 22 22 PRO C C 22 176.800 176.800 176.408 0.392 18812 6976 1 14 . 1 1 22 22 PRO CA C 22 63.100 63.100 62.728 0.372 18812 6977 1 14 . 1 1 22 22 PRO CB C 22 32.100 32.100 31.068 1.032 18812 6978 1 14 . 1 1 23 23 GLU N N 23 120.900 120.900 123.714 -2.814 18812 6979 1 14 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.314 -0.034 18812 6980 1 14 . 1 1 23 23 GLU C C 23 177.000 177.000 177.619 -0.619 18812 6981 1 14 . 1 1 23 23 GLU CA C 23 56.600 56.600 56.572 0.028 18812 6982 1 14 . 1 1 23 23 GLU CB C 23 30.400 30.400 30.180 0.220 18812 6983 1 14 . 1 1 23 23 GLU H H 23 8.630 8.630 8.047 0.583 18812 6984 1 14 . 1 1 24 24 GLY N N 24 109.800 109.800 112.455 -2.655 18812 6985 1 14 . 1 1 24 24 GLY C C 24 173.600 173.600 173.862 -0.262 18812 6986 1 14 . 1 1 24 24 GLY CA C 24 45.100 45.100 45.373 -0.273 18812 6987 1 14 . 1 1 24 24 GLY H H 24 8.450 8.450 8.947 -0.497 18812 6988 1 14 . 1 1 25 25 VAL N N 25 120.600 120.600 117.694 2.906 18812 6989 1 14 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.554 -0.094 18812 6990 1 14 . 1 1 25 25 VAL CA C 25 59.700 59.700 58.086 1.614 18812 6991 1 14 . 1 1 25 25 VAL CB C 25 32.600 32.600 33.201 -0.601 18812 6992 1 14 . 1 1 25 25 VAL H H 25 7.990 7.990 7.269 0.721 18812 6993 1 14 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.431 0.089 18812 6994 1 14 . 1 1 27 27 PRO C C 27 177.200 177.200 176.253 0.947 18812 6995 1 14 . 1 1 27 27 PRO CA C 27 63.100 63.100 62.757 0.343 18812 6996 1 14 . 1 1 27 27 PRO CB C 27 32.000 32.000 31.339 0.661 18812 6997 1 14 . 1 1 28 28 THR N N 28 113.000 113.000 119.529 -6.529 18812 6998 1 14 . 1 1 28 28 THR HA H 28 4.270 4.270 4.100 0.170 18812 6999 1 14 . 1 1 28 28 THR C C 28 174.400 174.400 174.814 -0.414 18812 7000 1 14 . 1 1 28 28 THR CA C 28 62.000 62.000 63.161 -1.161 18812 7001 1 14 . 1 1 28 28 THR CB C 28 69.700 69.700 69.494 0.206 18812 7002 1 14 . 1 1 28 28 THR H H 28 8.160 8.160 7.813 0.347 18812 7003 1 14 . 1 1 29 29 ASP N N 29 122.100 122.100 121.812 0.288 18812 7004 1 14 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.337 0.243 18812 7005 1 14 . 1 1 29 29 ASP CA C 29 54.300 54.300 56.833 -2.533 18812 7006 1 14 . 1 1 29 29 ASP CB C 29 40.900 40.900 40.834 0.066 18812 7007 1 14 . 1 1 29 29 ASP H H 29 8.290 8.290 8.461 -0.171 18812 7008 1 14 . 1 1 30 30 ARG N N 30 120.300 120.300 116.019 4.281 18812 7009 1 14 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.501 -0.311 18812 7010 1 14 . 1 1 30 30 ARG C C 30 175.600 175.600 175.055 0.545 18812 7011 1 14 . 1 1 30 30 ARG CA C 30 56.200 56.200 55.813 0.387 18812 7012 1 14 . 1 1 30 30 ARG CB C 30 30.800 30.800 31.285 -0.485 18812 7013 1 14 . 1 1 30 30 ARG H H 30 8.070 8.070 7.851 0.219 18812 7014 1 14 . 1 1 31 31 PHE N N 31 120.500 120.500 114.620 5.880 18812 7015 1 14 . 1 1 31 31 PHE CB C 31 38.800 38.800 38.942 -0.142 18812 7016 1 14 . 1 1 31 31 PHE H H 31 8.240 8.240 7.233 1.007 18812 7017 1 14 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.291 0.149 18812 7018 1 14 . 1 1 32 32 PRO C C 32 177.200 177.200 176.308 0.892 18812 7019 1 14 . 1 1 32 32 PRO CA C 32 63.400 63.400 64.030 -0.630 18812 7020 1 14 . 1 1 32 32 PRO CB C 32 31.700 31.700 32.353 -0.653 18812 7021 1 14 . 1 1 33 33 LEU N N 33 121.000 121.000 120.883 0.117 18812 7022 1 14 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.536 -0.206 18812 7023 1 14 . 1 1 33 33 LEU CA C 33 55.600 55.600 53.500 2.100 18812 7024 1 14 . 1 1 33 33 LEU CB C 33 42.100 42.100 41.552 0.548 18812 7025 1 14 . 1 1 33 33 LEU H H 33 8.290 8.290 7.651 0.639 18812 7026 1 14 . 1 1 34 34 LEU N N 34 122.100 122.100 125.390 -3.290 18812 7027 1 14 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.475 -0.165 18812 7028 1 14 . 1 1 34 34 LEU C C 34 177.300 177.300 175.965 1.335 18812 7029 1 14 . 1 1 34 34 LEU CA C 34 55.200 55.200 55.213 -0.013 18812 7030 1 14 . 1 1 34 34 LEU CB C 34 41.900 41.900 40.684 1.216 18812 7031 1 14 . 1 1 34 34 LEU H H 34 8.110 8.110 8.989 -0.879 18812 7032 1 14 . 1 1 35 35 ALA N N 35 123.400 123.400 126.724 -3.324 18812 7033 1 14 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.401 -0.121 18812 7034 1 14 . 1 1 35 35 ALA C C 35 177.600 177.600 176.242 1.358 18812 7035 1 14 . 1 1 35 35 ALA CA C 35 52.700 52.700 50.701 1.999 18812 7036 1 14 . 1 1 35 35 ALA CB C 35 18.800 18.800 18.285 0.515 18812 7037 1 14 . 1 1 35 35 ALA H H 35 8.140 8.140 7.859 0.281 18812 7038 1 14 . 1 1 36 36 LEU N N 36 120.000 120.000 121.850 -1.850 18812 7039 1 14 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.139 0.121 18812 7040 1 14 . 1 1 36 36 LEU CA C 36 55.500 55.500 56.670 -1.170 18812 7041 1 14 . 1 1 36 36 LEU CB C 36 42.000 42.000 42.078 -0.078 18812 7042 1 14 . 1 1 36 36 LEU H H 36 7.990 7.990 8.211 -0.221 18812 7043 1 14 . 1 1 37 37 LEU N N 37 122.700 122.700 118.137 4.563 18812 7044 1 14 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.477 -0.097 18812 7045 1 14 . 1 1 37 37 LEU C C 37 177.100 177.100 175.140 1.960 18812 7046 1 14 . 1 1 37 37 LEU CA C 37 55.000 55.000 54.967 0.033 18812 7047 1 14 . 1 1 37 37 LEU CB C 37 42.100 42.100 42.377 -0.277 18812 7048 1 14 . 1 1 37 37 LEU H H 37 8.190 8.190 7.766 0.424 18812 7049 1 14 . 1 1 38 38 ARG N N 38 121.600 121.600 123.618 -2.018 18812 7050 1 14 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.560 -0.090 18812 7051 1 14 . 1 1 38 38 ARG C C 38 176.200 176.200 176.149 0.051 18812 7052 1 14 . 1 1 38 38 ARG CA C 38 55.100 55.100 55.130 -0.030 18812 7053 1 14 . 1 1 38 38 ARG CB C 38 31.200 31.200 29.562 1.638 18812 7054 1 14 . 1 1 38 38 ARG H H 38 8.040 8.040 8.341 -0.301 18812 7055 1 14 . 1 1 39 39 ARG N N 39 123.600 123.600 122.204 1.396 18812 7056 1 14 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.121 0.249 18812 7057 1 14 . 1 1 39 39 ARG C C 39 175.500 175.500 175.980 -0.480 18812 7058 1 14 . 1 1 39 39 ARG CA C 39 56.700 56.700 58.765 -2.065 18812 7059 1 14 . 1 1 39 39 ARG CB C 39 31.200 31.200 30.632 0.568 18812 7060 1 14 . 1 1 39 39 ARG H H 39 8.840 8.840 8.505 0.335 18812 7061 1 14 . 1 1 40 40 THR N N 40 113.900 113.900 111.923 1.977 18812 7062 1 14 . 1 1 40 40 THR HA H 40 4.770 4.770 4.302 0.468 18812 7063 1 14 . 1 1 40 40 THR C C 40 175.300 175.300 174.045 1.255 18812 7064 1 14 . 1 1 40 40 THR CA C 40 59.500 59.500 61.585 -2.085 18812 7065 1 14 . 1 1 40 40 THR CB C 40 71.700 71.700 68.760 2.940 18812 7066 1 14 . 1 1 40 40 THR H H 40 8.150 8.150 7.682 0.468 18812 7067 1 14 . 1 1 41 41 LEU N N 41 123.100 123.100 129.014 -5.914 18812 7068 1 14 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.278 0.192 18812 7069 1 14 . 1 1 41 41 LEU C C 41 179.700 179.700 177.323 2.377 18812 7070 1 14 . 1 1 41 41 LEU CA C 41 54.900 54.900 54.767 0.133 18812 7071 1 14 . 1 1 41 41 LEU CB C 41 43.000 43.000 40.291 2.709 18812 7072 1 14 . 1 1 41 41 LEU H H 41 9.480 9.480 8.680 0.800 18812 7073 1 14 . 1 1 42 42 THR N N 42 115.100 115.100 119.712 -4.612 18812 7074 1 14 . 1 1 42 42 THR HA H 42 4.580 4.580 4.252 0.328 18812 7075 1 14 . 1 1 42 42 THR C C 42 175.400 175.400 175.541 -0.141 18812 7076 1 14 . 1 1 42 42 THR CA C 42 60.900 60.900 61.528 -0.628 18812 7077 1 14 . 1 1 42 42 THR CB C 42 70.600 70.600 70.792 -0.192 18812 7078 1 14 . 1 1 42 42 THR H H 42 8.790 8.790 7.936 0.854 18812 7079 1 14 . 1 1 43 43 GLU N N 43 121.400 121.400 121.906 -0.506 18812 7080 1 14 . 1 1 43 43 GLU HA H 43 4.020 4.020 3.980 0.040 18812 7081 1 14 . 1 1 43 43 GLU C C 43 179.100 179.100 178.724 0.376 18812 7082 1 14 . 1 1 43 43 GLU CA C 43 59.700 59.700 60.834 -1.134 18812 7083 1 14 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.611 -0.711 18812 7084 1 14 . 1 1 43 43 GLU H H 43 9.020 9.020 8.885 0.135 18812 7085 1 14 . 1 1 44 44 GLU N N 44 118.300 118.300 118.234 0.066 18812 7086 1 14 . 1 1 44 44 GLU HA H 44 4.020 4.020 4.030 -0.011 18812 7087 1 14 . 1 1 44 44 GLU C C 44 179.700 179.700 179.279 0.421 18812 7088 1 14 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.607 0.593 18812 7089 1 14 . 1 1 44 44 GLU CB C 44 29.000 29.000 29.041 -0.041 18812 7090 1 14 . 1 1 44 44 GLU H H 44 8.810 8.810 8.827 -0.017 18812 7091 1 14 . 1 1 45 45 GLN N N 45 119.300 119.300 118.362 0.938 18812 7092 1 14 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.131 0.089 18812 7093 1 14 . 1 1 45 45 GLN C C 45 178.500 178.500 178.830 -0.330 18812 7094 1 14 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.639 -0.339 18812 7095 1 14 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.860 0.340 18812 7096 1 14 . 1 1 45 45 GLN H H 45 7.800 7.800 7.544 0.256 18812 7097 1 14 . 1 1 46 46 VAL N N 46 121.000 121.000 121.482 -0.482 18812 7098 1 14 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.579 -0.179 18812 7099 1 14 . 1 1 46 46 VAL C C 46 177.500 177.500 178.100 -0.600 18812 7100 1 14 . 1 1 46 46 VAL CA C 46 67.600 67.600 66.789 0.811 18812 7101 1 14 . 1 1 46 46 VAL CB C 46 31.300 31.300 31.337 -0.037 18812 7102 1 14 . 1 1 46 46 VAL H H 46 8.420 8.420 8.353 0.067 18812 7103 1 14 . 1 1 47 47 GLN N N 47 115.900 115.900 117.932 -2.032 18812 7104 1 14 . 1 1 47 47 GLN HA H 47 3.890 3.890 3.953 -0.063 18812 7105 1 14 . 1 1 47 47 GLN C C 47 178.500 178.500 178.502 -0.002 18812 7106 1 14 . 1 1 47 47 GLN CA C 47 58.800 58.800 58.751 0.049 18812 7107 1 14 . 1 1 47 47 GLN CB C 47 27.700 27.700 27.908 -0.208 18812 7108 1 14 . 1 1 47 47 GLN H H 47 7.470 7.470 8.308 -0.838 18812 7109 1 14 . 1 1 48 48 GLU N N 48 121.400 121.400 120.823 0.577 18812 7110 1 14 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.096 0.024 18812 7111 1 14 . 1 1 48 48 GLU C C 48 178.500 178.500 178.935 -0.435 18812 7112 1 14 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.589 -0.289 18812 7113 1 14 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.401 0.399 18812 7114 1 14 . 1 1 48 48 GLU H H 48 7.940 7.940 8.070 -0.130 18812 7115 1 14 . 1 1 49 49 VAL N N 49 120.300 120.300 120.424 -0.124 18812 7116 1 14 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.760 -0.170 18812 7117 1 14 . 1 1 49 49 VAL CA C 49 67.200 67.200 66.564 0.636 18812 7118 1 14 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.913 -0.413 18812 7119 1 14 . 1 1 49 49 VAL H H 49 8.580 8.580 8.357 0.223 18812 7120 1 14 . 1 1 50 50 VAL N N 50 118.700 118.700 118.906 -0.206 18812 7121 1 14 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.657 -0.437 18812 7122 1 14 . 1 1 50 50 VAL C C 50 178.600 178.600 177.744 0.856 18812 7123 1 14 . 1 1 50 50 VAL CA C 50 67.500 67.500 66.043 1.458 18812 7124 1 14 . 1 1 50 50 VAL CB C 50 31.400 31.400 30.774 0.625 18812 7125 1 14 . 1 1 50 50 VAL H H 50 8.350 8.350 8.134 0.216 18812 7126 1 14 . 1 1 51 51 ALA N N 51 123.200 123.200 122.960 0.240 18812 7127 1 14 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.231 -0.401 18812 7128 1 14 . 1 1 51 51 ALA C C 51 180.100 180.100 179.193 0.907 18812 7129 1 14 . 1 1 51 51 ALA CA C 51 55.300 55.300 55.102 0.198 18812 7130 1 14 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.495 -0.795 18812 7131 1 14 . 1 1 51 51 ALA H H 51 8.320 8.320 8.100 0.220 18812 7132 1 14 . 1 1 52 52 LYS N N 52 117.200 117.200 118.268 -1.068 18812 7133 1 14 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.268 -0.148 18812 7134 1 14 . 1 1 52 52 LYS C C 52 180.200 180.200 178.936 1.264 18812 7135 1 14 . 1 1 52 52 LYS CA C 52 59.200 59.200 58.721 0.479 18812 7136 1 14 . 1 1 52 52 LYS CB C 52 32.700 32.700 33.032 -0.332 18812 7137 1 14 . 1 1 52 52 LYS H H 52 8.170 8.170 7.988 0.182 18812 7138 1 14 . 1 1 53 53 LEU N N 53 118.600 118.600 121.591 -2.991 18812 7139 1 14 . 1 1 53 53 LEU HA H 53 3.390 3.390 3.338 0.052 18812 7140 1 14 . 1 1 53 53 LEU C C 53 176.300 176.300 178.656 -2.356 18812 7141 1 14 . 1 1 53 53 LEU CA C 53 56.300 56.300 57.316 -1.016 18812 7142 1 14 . 1 1 53 53 LEU CB C 53 44.300 44.300 40.905 3.395 18812 7143 1 14 . 1 1 53 53 LEU H H 53 8.170 8.170 8.463 -0.293 18812 7144 1 14 . 1 1 54 54 THR N N 54 103.000 103.000 111.531 -8.531 18812 7145 1 14 . 1 1 54 54 THR HA H 54 3.490 3.490 4.221 -0.731 18812 7146 1 14 . 1 1 54 54 THR C C 54 173.600 173.600 174.721 -1.121 18812 7147 1 14 . 1 1 54 54 THR CA C 54 60.800 60.800 63.629 -2.829 18812 7148 1 14 . 1 1 54 54 THR CB C 54 69.700 69.700 68.794 0.905 18812 7149 1 14 . 1 1 54 54 THR H H 54 6.990 6.990 7.754 -0.764 18812 7150 1 14 . 1 1 55 55 ASP N N 55 126.400 126.400 121.930 4.470 18812 7151 1 14 . 1 1 55 55 ASP HA H 55 4.630 4.630 5.052 -0.422 18812 7152 1 14 . 1 1 55 55 ASP CA C 55 52.600 52.600 50.827 1.773 18812 7153 1 14 . 1 1 55 55 ASP CB C 55 42.200 42.200 42.335 -0.135 18812 7154 1 14 . 1 1 55 55 ASP H H 55 6.900 6.900 7.719 -0.819 18812 7155 1 14 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.272 0.068 18812 7156 1 14 . 1 1 56 56 PRO C C 56 178.500 178.500 178.423 0.077 18812 7157 1 14 . 1 1 56 56 PRO CA C 56 65.100 65.100 64.457 0.643 18812 7158 1 14 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.320 -0.220 18812 7159 1 14 . 1 1 57 57 GLU N N 57 115.700 115.700 119.830 -4.130 18812 7160 1 14 . 1 1 57 57 GLU C C 57 176.300 176.300 178.666 -2.366 18812 7161 1 14 . 1 1 57 57 GLU CA C 57 59.600 59.600 59.651 -0.051 18812 7162 1 14 . 1 1 57 57 GLU CB C 57 29.400 29.400 28.806 0.594 18812 7163 1 14 . 1 1 57 57 GLU H H 57 8.640 8.640 8.277 0.363 18812 7164 1 14 . 1 1 58 58 SER N N 58 115.000 115.000 114.997 0.003 18812 7165 1 14 . 1 1 58 58 SER HA H 58 4.260 4.260 4.254 0.006 18812 7166 1 14 . 1 1 58 58 SER C C 58 177.400 177.400 176.925 0.475 18812 7167 1 14 . 1 1 58 58 SER CA C 58 62.900 62.900 61.319 1.581 18812 7168 1 14 . 1 1 58 58 SER CB C 58 69.300 69.300 63.099 6.201 18812 7169 1 14 . 1 1 58 58 SER H H 58 8.180 8.180 8.774 -0.594 18812 7170 1 14 . 1 1 60 60 ALA N N 60 123.000 123.000 122.812 0.188 18812 7171 1 14 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.383 0.247 18812 7172 1 14 . 1 1 60 60 ALA C C 60 180.600 180.600 178.462 2.138 18812 7173 1 14 . 1 1 60 60 ALA CA C 60 53.600 53.600 54.553 -0.953 18812 7174 1 14 . 1 1 60 60 ALA CB C 60 19.200 19.200 19.017 0.183 18812 7175 1 14 . 1 1 60 60 ALA H H 60 8.020 8.020 7.832 0.188 18812 7176 1 14 . 1 1 61 61 GLN N N 61 114.000 114.000 117.377 -3.377 18812 7177 1 14 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.140 -0.120 18812 7178 1 14 . 1 1 61 61 GLN C C 61 176.900 176.900 178.058 -1.158 18812 7179 1 14 . 1 1 61 61 GLN CA C 61 54.900 54.900 58.201 -3.301 18812 7180 1 14 . 1 1 61 61 GLN CB C 61 28.500 28.500 28.677 -0.177 18812 7181 1 14 . 1 1 61 61 GLN H H 61 7.500 7.500 7.726 -0.226 18812 7182 1 14 . 1 1 62 62 ILE N N 62 123.900 123.900 115.405 8.495 18812 7183 1 14 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.919 -0.139 18812 7184 1 14 . 1 1 62 62 ILE C C 62 176.800 176.800 177.045 -0.245 18812 7185 1 14 . 1 1 62 62 ILE CA C 62 65.900 65.900 63.871 2.029 18812 7186 1 14 . 1 1 62 62 ILE CB C 62 37.700 37.700 37.917 -0.217 18812 7187 1 14 . 1 1 62 62 ILE H H 62 7.240 7.240 8.101 -0.861 18812 7188 1 14 . 1 1 63 63 ASP N N 63 114.100 114.100 119.852 -5.752 18812 7189 1 14 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.737 0.073 18812 7190 1 14 . 1 1 63 63 ASP C C 63 177.500 177.500 176.891 0.609 18812 7191 1 14 . 1 1 63 63 ASP CA C 63 51.700 51.700 54.556 -2.856 18812 7192 1 14 . 1 1 63 63 ASP CB C 63 40.300 40.300 42.650 -2.350 18812 7193 1 14 . 1 1 63 63 ASP H H 63 7.860 7.860 7.821 0.039 18812 7194 1 14 . 1 1 64 64 GLY N N 64 104.800 104.800 107.226 -2.426 18812 7195 1 14 . 1 1 64 64 GLY C C 64 173.400 173.400 173.720 -0.320 18812 7196 1 14 . 1 1 64 64 GLY CA C 64 45.900 45.900 45.593 0.307 18812 7197 1 14 . 1 1 64 64 GLY H H 64 7.860 7.860 7.871 -0.011 18812 7198 1 14 . 1 1 65 65 VAL N N 65 117.700 117.700 117.599 0.101 18812 7199 1 14 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.431 0.069 18812 7200 1 14 . 1 1 65 65 VAL C C 65 173.300 173.300 173.965 -0.665 18812 7201 1 14 . 1 1 65 65 VAL CA C 65 60.100 60.100 60.639 -0.539 18812 7202 1 14 . 1 1 65 65 VAL CB C 65 36.100 36.100 34.945 1.155 18812 7203 1 14 . 1 1 65 65 VAL H H 65 7.550 7.550 7.627 -0.077 18812 7204 1 14 . 1 1 66 66 VAL N N 66 129.500 129.500 125.275 4.225 18812 7205 1 14 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.548 0.182 18812 7206 1 14 . 1 1 66 66 VAL C C 66 174.300 174.300 174.723 -0.423 18812 7207 1 14 . 1 1 66 66 VAL CA C 66 61.500 61.500 61.518 -0.018 18812 7208 1 14 . 1 1 66 66 VAL CB C 66 31.800 31.800 33.638 -1.838 18812 7209 1 14 . 1 1 66 66 VAL H H 66 8.540 8.540 8.489 0.051 18812 7210 1 14 . 1 1 67 67 SER N N 67 123.500 123.500 123.214 0.286 18812 7211 1 14 . 1 1 67 67 SER HA H 67 5.510 5.510 4.719 0.791 18812 7212 1 14 . 1 1 67 67 SER CA C 67 55.700 55.700 56.998 -1.298 18812 7213 1 14 . 1 1 67 67 SER CB C 67 66.100 66.100 66.062 0.038 18812 7214 1 14 . 1 1 67 67 SER H H 67 9.370 9.370 8.111 1.259 18812 7215 1 14 . 1 1 68 68 LYS C C 68 177.100 177.100 177.689 -0.589 18812 7216 1 14 . 1 1 69 69 ASP N N 69 114.800 114.800 118.457 -3.657 18812 7217 1 14 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.337 0.113 18812 7218 1 14 . 1 1 69 69 ASP C C 69 178.800 178.800 177.890 0.910 18812 7219 1 14 . 1 1 69 69 ASP CA C 69 56.900 56.900 57.330 -0.430 18812 7220 1 14 . 1 1 69 69 ASP CB C 69 40.400 40.400 40.029 0.371 18812 7221 1 14 . 1 1 69 69 ASP H H 69 8.420 8.420 8.726 -0.306 18812 7222 1 14 . 1 1 70 70 GLU N N 70 120.300 120.300 119.778 0.522 18812 7223 1 14 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.082 0.068 18812 7224 1 14 . 1 1 70 70 GLU C C 70 178.000 178.000 178.613 -0.613 18812 7225 1 14 . 1 1 70 70 GLU CA C 70 59.200 59.200 59.366 -0.166 18812 7226 1 14 . 1 1 70 70 GLU CB C 70 28.600 28.600 29.129 -0.529 18812 7227 1 14 . 1 1 70 70 GLU H H 70 7.600 7.600 8.356 -0.756 18812 7228 1 14 . 1 1 71 71 ILE N N 71 119.100 119.100 120.917 -1.817 18812 7229 1 14 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.641 -0.211 18812 7230 1 14 . 1 1 71 71 ILE C C 71 177.300 177.300 178.193 -0.893 18812 7231 1 14 . 1 1 71 71 ILE CA C 71 67.300 67.300 65.412 1.888 18812 7232 1 14 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.623 0.177 18812 7233 1 14 . 1 1 71 71 ILE H H 71 8.050 8.050 8.006 0.044 18812 7234 1 14 . 1 1 72 72 GLU N N 72 116.200 116.200 119.027 -2.827 18812 7235 1 14 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.923 -0.273 18812 7236 1 14 . 1 1 72 72 GLU C C 72 178.000 178.000 178.895 -0.895 18812 7237 1 14 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.573 1.427 18812 7238 1 14 . 1 1 72 72 GLU CB C 72 30.200 30.200 29.084 1.116 18812 7239 1 14 . 1 1 72 72 GLU H H 72 8.460 8.460 8.564 -0.104 18812 7240 1 14 . 1 1 73 73 LYS N N 73 118.600 118.600 121.026 -2.426 18812 7241 1 14 . 1 1 73 73 LYS C C 73 179.000 179.000 179.051 -0.051 18812 7242 1 14 . 1 1 73 73 LYS CA C 73 59.400 59.400 58.775 0.625 18812 7243 1 14 . 1 1 73 73 LYS CB C 73 32.600 32.600 32.150 0.450 18812 7244 1 14 . 1 1 73 73 LYS H H 73 8.020 8.020 8.238 -0.218 18812 7245 1 14 . 1 1 74 74 PHE N N 74 118.500 118.500 117.667 0.833 18812 7246 1 14 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.316 0.004 18812 7247 1 14 . 1 1 74 74 PHE C C 74 179.400 179.400 178.273 1.127 18812 7248 1 14 . 1 1 74 74 PHE CA C 74 61.300 61.300 61.431 -0.132 18812 7249 1 14 . 1 1 74 74 PHE CB C 74 38.300 38.300 39.053 -0.753 18812 7250 1 14 . 1 1 74 74 PHE H H 74 8.870 8.870 8.421 0.449 18812 7251 1 14 . 1 1 75 75 ILE N N 75 119.000 119.000 120.070 -1.070 18812 7252 1 14 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.616 0.154 18812 7253 1 14 . 1 1 75 75 ILE C C 75 177.900 177.900 177.916 -0.016 18812 7254 1 14 . 1 1 75 75 ILE CA C 75 66.800 66.800 64.867 1.933 18812 7255 1 14 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.717 0.783 18812 7256 1 14 . 1 1 75 75 ILE H H 75 8.570 8.570 8.296 0.274 18812 7257 1 14 . 1 1 76 76 ALA N N 76 122.200 122.200 122.035 0.165 18812 7258 1 14 . 1 1 76 76 ALA HA H 76 4.570 4.570 3.926 0.644 18812 7259 1 14 . 1 1 76 76 ALA C C 76 181.000 181.000 179.035 1.965 18812 7260 1 14 . 1 1 76 76 ALA CA C 76 54.600 54.600 54.814 -0.214 18812 7261 1 14 . 1 1 76 76 ALA CB C 76 18.400 18.400 18.044 0.356 18812 7262 1 14 . 1 1 76 76 ALA H H 76 8.230 8.230 8.527 -0.297 18812 7263 1 14 . 1 1 77 77 ASP N N 77 117.200 117.200 118.160 -0.960 18812 7264 1 14 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.345 0.095 18812 7265 1 14 . 1 1 77 77 ASP C C 77 177.200 177.200 177.235 -0.035 18812 7266 1 14 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.485 0.215 18812 7267 1 14 . 1 1 77 77 ASP CB C 77 41.100 41.100 40.959 0.141 18812 7268 1 14 . 1 1 77 77 ASP H H 77 7.900 7.900 7.949 -0.049 18812 7269 1 14 . 1 1 78 78 VAL N N 78 118.100 118.100 117.701 0.399 18812 7270 1 14 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.191 -0.221 18812 7271 1 14 . 1 1 78 78 VAL C C 78 177.800 177.800 175.649 2.151 18812 7272 1 14 . 1 1 78 78 VAL CA C 78 64.800 64.800 61.631 3.169 18812 7273 1 14 . 1 1 78 78 VAL CB C 78 32.700 32.700 30.102 2.598 18812 7274 1 14 . 1 1 78 78 VAL H H 78 7.730 7.730 7.654 0.076 18812 7275 1 14 . 1 1 79 79 THR N N 79 109.800 109.800 112.345 -2.545 18812 7276 1 14 . 1 1 79 79 THR HA H 79 4.100 4.100 3.853 0.247 18812 7277 1 14 . 1 1 79 79 THR C C 79 175.700 175.700 174.470 1.230 18812 7278 1 14 . 1 1 79 79 THR CA C 79 69.400 69.400 64.445 4.955 18812 7279 1 14 . 1 1 79 79 THR CB C 79 63.100 63.100 66.907 -3.807 18812 7280 1 14 . 1 1 79 79 THR H H 79 8.830 8.830 8.012 0.818 18812 7281 1 14 . 1 1 80 80 LYS N N 80 115.700 115.700 120.660 -4.960 18812 7282 1 14 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.211 -0.201 18812 7283 1 14 . 1 1 80 80 LYS CA C 80 55.700 55.700 58.130 -2.430 18812 7284 1 14 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.652 -4.252 18812 7285 1 14 . 1 1 80 80 LYS H H 80 8.440 8.440 7.483 0.957 18812 7286 1 14 . 1 1 81 81 ASP N N 81 119.600 119.600 116.173 3.427 18812 7287 1 14 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.331 0.519 18812 7288 1 14 . 1 1 81 81 ASP C C 81 174.400 174.400 175.476 -1.076 18812 7289 1 14 . 1 1 81 81 ASP CA C 81 51.200 51.200 56.541 -5.341 18812 7290 1 14 . 1 1 81 81 ASP CB C 81 44.400 44.400 40.345 4.055 18812 7291 1 14 . 1 1 81 81 ASP H H 81 8.140 8.140 8.504 -0.364 18812 7292 1 14 . 1 1 82 82 GLU N N 82 120.500 120.500 119.480 1.020 18812 7293 1 14 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.808 -0.358 18812 7294 1 14 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.359 0.841 18812 7295 1 14 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.584 -0.684 18812 7296 1 14 . 1 1 82 82 GLU H H 82 8.810 8.810 7.892 0.918 18812 7297 1 14 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.853 -0.203 18812 7298 1 14 . 1 1 83 83 PRO C C 83 176.900 176.900 176.343 0.557 18812 7299 1 14 . 1 1 83 83 PRO CA C 83 62.400 62.400 62.292 0.108 18812 7300 1 14 . 1 1 83 83 PRO CB C 83 32.600 32.600 30.522 2.078 18812 7301 1 14 . 1 1 84 84 THR N N 84 115.300 115.300 117.660 -2.360 18812 7302 1 14 . 1 1 84 84 THR HA H 84 4.590 4.590 4.405 0.185 18812 7303 1 14 . 1 1 84 84 THR C C 84 175.000 175.000 175.725 -0.725 18812 7304 1 14 . 1 1 84 84 THR CA C 84 59.800 59.800 59.286 0.513 18812 7305 1 14 . 1 1 84 84 THR CB C 84 71.700 71.700 71.019 0.681 18812 7306 1 14 . 1 1 84 84 THR H H 84 9.550 9.550 8.794 0.756 18812 7307 1 14 . 1 1 85 85 ALA N N 85 124.400 124.400 126.112 -1.712 18812 7308 1 14 . 1 1 85 85 ALA HA H 85 4.060 4.060 4.027 0.033 18812 7309 1 14 . 1 1 85 85 ALA C C 85 180.900 180.900 179.397 1.503 18812 7310 1 14 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.415 -0.115 18812 7311 1 14 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.430 -0.430 18812 7312 1 14 . 1 1 85 85 ALA H H 85 8.970 8.970 8.797 0.173 18812 7313 1 14 . 1 1 86 86 GLN N N 86 116.500 116.500 118.401 -1.901 18812 7314 1 14 . 1 1 86 86 GLN HA H 86 4.120 4.120 3.971 0.149 18812 7315 1 14 . 1 1 86 86 GLN CA C 86 58.900 58.900 59.285 -0.385 18812 7316 1 14 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.363 -0.263 18812 7317 1 14 . 1 1 86 86 GLN H H 86 8.680 8.680 8.085 0.595 18812 7318 1 14 . 1 1 87 87 ASP N N 87 122.300 122.300 120.002 2.298 18812 7319 1 14 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.434 0.166 18812 7320 1 14 . 1 1 87 87 ASP C C 87 178.200 178.200 178.821 -0.621 18812 7321 1 14 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.320 0.480 18812 7322 1 14 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.690 -0.990 18812 7323 1 14 . 1 1 87 87 ASP H H 87 7.820 7.820 7.800 0.020 18812 7324 1 14 . 1 1 88 88 ILE N N 88 120.900 120.900 120.094 0.806 18812 7325 1 14 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.743 -0.263 18812 7326 1 14 . 1 1 88 88 ILE C C 88 177.800 177.800 178.359 -0.559 18812 7327 1 14 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.696 1.104 18812 7328 1 14 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.655 0.645 18812 7329 1 14 . 1 1 88 88 ILE H H 88 8.160 8.160 8.272 -0.112 18812 7330 1 14 . 1 1 89 89 SER N N 89 113.200 113.200 115.830 -2.630 18812 7331 1 14 . 1 1 89 89 SER HA H 89 4.240 4.240 4.187 0.053 18812 7332 1 14 . 1 1 89 89 SER C C 89 177.200 177.200 176.812 0.388 18812 7333 1 14 . 1 1 89 89 SER CA C 89 61.700 61.700 61.659 0.041 18812 7334 1 14 . 1 1 89 89 SER CB C 89 62.700 62.700 62.860 -0.160 18812 7335 1 14 . 1 1 89 89 SER H H 89 7.970 7.970 8.240 -0.270 18812 7336 1 14 . 1 1 90 90 ARG N N 90 123.100 123.100 121.385 1.715 18812 7337 1 14 . 1 1 90 90 ARG HA H 90 4.110 4.110 4.087 0.023 18812 7338 1 14 . 1 1 90 90 ARG CA C 90 59.900 59.900 58.691 1.209 18812 7339 1 14 . 1 1 90 90 ARG CB C 90 31.700 31.700 29.658 2.042 18812 7340 1 14 . 1 1 90 90 ARG H H 90 8.450 8.450 8.086 0.364 18812 7341 1 14 . 1 1 91 91 VAL N N 91 119.200 119.200 119.501 -0.301 18812 7342 1 14 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.648 -0.218 18812 7343 1 14 . 1 1 91 91 VAL C C 91 177.300 177.300 177.850 -0.550 18812 7344 1 14 . 1 1 91 91 VAL CA C 91 66.800 66.800 66.356 0.444 18812 7345 1 14 . 1 1 91 91 VAL CB C 91 31.700 31.700 30.924 0.776 18812 7346 1 14 . 1 1 91 91 VAL H H 91 8.140 8.140 8.387 -0.247 18812 7347 1 14 . 1 1 92 92 ALA N N 92 121.100 121.100 121.362 -0.262 18812 7348 1 14 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.933 0.027 18812 7349 1 14 . 1 1 92 92 ALA C C 92 179.200 179.200 179.876 -0.676 18812 7350 1 14 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.273 0.628 18812 7351 1 14 . 1 1 92 92 ALA CB C 92 18.400 18.400 17.905 0.494 18812 7352 1 14 . 1 1 92 92 ALA H H 92 9.020 9.020 8.286 0.734 18812 7353 1 14 . 1 1 93 93 SER N N 93 112.100 112.100 113.798 -1.698 18812 7354 1 14 . 1 1 93 93 SER HA H 93 4.240 4.240 4.077 0.163 18812 7355 1 14 . 1 1 93 93 SER C C 93 177.300 177.300 176.909 0.391 18812 7356 1 14 . 1 1 93 93 SER CA C 93 62.000 62.000 61.522 0.478 18812 7357 1 14 . 1 1 93 93 SER CB C 93 62.700 62.700 63.040 -0.340 18812 7358 1 14 . 1 1 93 93 SER H H 93 8.730 8.730 8.066 0.664 18812 7359 1 14 . 1 1 94 94 ARG N N 94 122.500 122.500 121.122 1.378 18812 7360 1 14 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.010 0.250 18812 7361 1 14 . 1 1 94 94 ARG C C 94 179.900 179.900 179.051 0.849 18812 7362 1 14 . 1 1 94 94 ARG CA C 94 57.800 57.800 58.088 -0.288 18812 7363 1 14 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.621 -0.421 18812 7364 1 14 . 1 1 94 94 ARG H H 94 7.520 7.520 7.986 -0.466 18812 7365 1 14 . 1 1 95 95 LEU N N 95 121.500 121.500 116.234 5.266 18812 7366 1 14 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.033 0.207 18812 7367 1 14 . 1 1 95 95 LEU C C 95 179.000 179.000 177.970 1.030 18812 7368 1 14 . 1 1 95 95 LEU CA C 95 58.100 58.100 57.441 0.659 18812 7369 1 14 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.805 0.995 18812 7370 1 14 . 1 1 95 95 LEU H H 95 8.350 8.350 8.015 0.335 18812 7371 1 14 . 1 1 96 96 ALA N N 96 121.900 121.900 120.538 1.362 18812 7372 1 14 . 1 1 96 96 ALA HA H 96 4.320 4.320 4.019 0.301 18812 7373 1 14 . 1 1 96 96 ALA C C 96 182.200 182.200 179.777 2.423 18812 7374 1 14 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.401 0.698 18812 7375 1 14 . 1 1 96 96 ALA CB C 96 18.000 18.000 18.527 -0.527 18812 7376 1 14 . 1 1 96 96 ALA H H 96 8.740 8.740 7.968 0.772 18812 7377 1 14 . 1 1 97 97 ALA N N 97 121.400 121.400 119.721 1.679 18812 7378 1 14 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.002 0.228 18812 7379 1 14 . 1 1 97 97 ALA C C 97 179.200 179.200 178.366 0.834 18812 7380 1 14 . 1 1 97 97 ALA CA C 97 54.600 54.600 53.259 1.341 18812 7381 1 14 . 1 1 97 97 ALA CB C 97 18.000 18.000 18.555 -0.555 18812 7382 1 14 . 1 1 97 97 ALA H H 97 8.190 8.190 7.736 0.454 18812 7383 1 14 . 1 1 98 98 GLY N N 98 103.500 103.500 104.930 -1.430 18812 7384 1 14 . 1 1 98 98 GLY C C 98 173.700 173.700 174.803 -1.103 18812 7385 1 14 . 1 1 98 98 GLY CA C 98 44.800 44.800 44.215 0.585 18812 7386 1 14 . 1 1 98 98 GLY H H 98 7.710 7.710 7.579 0.131 18812 7387 1 14 . 1 1 99 99 GLY N N 99 107.600 107.600 109.542 -1.942 18812 7388 1 14 . 1 1 99 99 GLY CA C 99 45.200 45.200 43.711 1.489 18812 7389 1 14 . 1 1 99 99 GLY H H 99 7.710 7.710 7.198 0.512 18812 7390 1 14 . 1 1 100 100 TRP N N 100 123.600 123.600 123.157 0.443 18812 7391 1 14 . 1 1 100 100 TRP CB C 100 52.300 52.300 28.886 23.414 18812 7392 1 14 . 1 1 100 100 TRP H H 100 7.820 7.820 7.760 0.060 18812 7393 1 14 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.685 -0.755 18812 7394 1 14 . 1 1 101 101 PRO C C 101 175.600 175.600 175.882 -0.282 18812 7395 1 14 . 1 1 101 101 PRO CA C 101 62.600 62.600 62.245 0.355 18812 7396 1 14 . 1 1 101 101 PRO CB C 101 34.200 34.200 31.628 2.572 18812 7397 1 14 . 1 1 102 102 LEU N N 102 122.800 122.800 122.457 0.343 18812 7398 1 14 . 1 1 102 102 LEU H H 102 8.470 8.470 8.632 -0.162 18812 7399 1 14 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.493 0.167 18812 7400 1 14 . 1 1 103 103 ALA C C 103 177.100 177.100 177.206 -0.106 18812 7401 1 14 . 1 1 103 103 ALA CA C 103 51.500 51.500 52.576 -1.076 18812 7402 1 14 . 1 1 103 103 ALA CB C 103 21.700 21.700 20.004 1.696 18812 7403 1 14 . 1 1 104 104 GLY N N 104 108.500 108.500 108.778 -0.278 18812 7404 1 14 . 1 1 104 104 GLY C C 104 173.900 173.900 173.760 0.140 18812 7405 1 14 . 1 1 104 104 GLY CA C 104 45.900 45.900 45.691 0.208 18812 7406 1 14 . 1 1 104 104 GLY H H 104 8.700 8.700 8.400 0.300 18812 7407 1 14 . 1 1 105 105 VAL N N 105 116.700 116.700 119.082 -2.382 18812 7408 1 14 . 1 1 105 105 VAL HA H 105 4.220 4.220 4.434 -0.214 18812 7409 1 14 . 1 1 105 105 VAL C C 105 174.700 174.700 175.156 -0.456 18812 7410 1 14 . 1 1 105 105 VAL CA C 105 61.000 61.000 61.020 -0.020 18812 7411 1 14 . 1 1 105 105 VAL CB C 105 33.100 33.100 32.416 0.684 18812 7412 1 14 . 1 1 105 105 VAL H H 105 7.660 7.660 7.836 -0.176 18812 7413 1 14 . 1 1 106 106 ASP N N 106 125.100 125.100 128.430 -3.330 18812 7414 1 14 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.804 -0.134 18812 7415 1 14 . 1 1 106 106 ASP C C 106 176.500 176.500 176.978 -0.478 18812 7416 1 14 . 1 1 106 106 ASP CA C 106 54.000 54.000 54.543 -0.543 18812 7417 1 14 . 1 1 106 106 ASP CB C 106 41.300 41.300 41.311 -0.011 18812 7418 1 14 . 1 1 106 106 ASP H H 106 8.600 8.600 8.706 -0.106 18812 7419 1 14 . 1 1 107 107 SER N N 107 117.400 117.400 118.698 -1.298 18812 7420 1 14 . 1 1 107 107 SER HA H 107 4.320 4.320 4.287 0.033 18812 7421 1 14 . 1 1 107 107 SER C C 107 175.400 175.400 175.614 -0.214 18812 7422 1 14 . 1 1 107 107 SER CA C 107 59.500 59.500 61.408 -1.908 18812 7423 1 14 . 1 1 107 107 SER CB C 107 63.200 63.200 63.407 -0.207 18812 7424 1 14 . 1 1 107 107 SER H H 107 8.560 8.560 8.424 0.136 18812 7425 1 14 . 1 1 108 108 THR N N 108 115.100 115.100 111.114 3.986 18812 7426 1 14 . 1 1 108 108 THR HA H 108 4.260 4.260 4.483 -0.223 18812 7427 1 14 . 1 1 108 108 THR C C 108 174.800 174.800 174.017 0.783 18812 7428 1 14 . 1 1 108 108 THR CA C 108 63.000 63.000 62.525 0.475 18812 7429 1 14 . 1 1 108 108 THR CB C 108 69.300 69.300 68.418 0.882 18812 7430 1 14 . 1 1 108 108 THR H H 108 8.230 8.230 8.066 0.164 18812 7431 1 14 . 1 1 109 109 ALA N N 109 125.000 125.000 124.486 0.514 18812 7432 1 14 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.634 -0.274 18812 7433 1 14 . 1 1 109 109 ALA C C 109 177.500 177.500 175.136 2.364 18812 7434 1 14 . 1 1 109 109 ALA CA C 109 52.500 52.500 51.280 1.220 18812 7435 1 14 . 1 1 109 109 ALA CB C 109 19.100 19.100 20.145 -1.046 18812 7436 1 14 . 1 1 109 109 ALA H H 109 8.020 8.020 7.274 0.746 18812 7437 1 14 . 1 1 110 110 LEU N N 110 119.400 119.400 120.309 -0.909 18812 7438 1 14 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.578 -0.228 18812 7439 1 14 . 1 1 110 110 LEU C C 110 176.800 176.800 175.092 1.708 18812 7440 1 14 . 1 1 110 110 LEU CA C 110 55.000 55.000 54.694 0.306 18812 7441 1 14 . 1 1 110 110 LEU CB C 110 42.000 42.000 45.591 -3.591 18812 7442 1 14 . 1 1 110 110 LEU H H 110 7.880 7.880 7.720 0.160 18812 7443 1 14 . 1 1 111 111 ASN N N 111 118.700 118.700 120.472 -1.772 18812 7444 1 14 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.486 0.244 18812 7445 1 14 . 1 1 111 111 ASN C C 111 173.600 173.600 172.927 0.673 18812 7446 1 14 . 1 1 111 111 ASN CA C 111 52.900 52.900 53.894 -0.994 18812 7447 1 14 . 1 1 111 111 ASN CB C 111 39.000 39.000 38.526 0.474 18812 7448 1 14 . 1 1 111 111 ASN H H 111 8.230 8.230 8.629 -0.399 18812 7449 1 15 . 1 1 10 10 GLY C C 10 174.100 174.100 174.509 -0.409 18812 7450 1 15 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.590 0.710 18812 7451 1 15 . 1 1 10 10 GLY H H 10 8.500 8.500 8.634 -0.134 18812 7452 1 15 . 1 1 11 11 THR N N 11 113.700 113.700 117.944 -4.244 18812 7453 1 15 . 1 1 11 11 THR HA H 11 4.350 4.350 4.009 0.341 18812 7454 1 15 . 1 1 11 11 THR C C 11 174.700 174.700 175.275 -0.575 18812 7455 1 15 . 1 1 11 11 THR CA C 11 62.000 62.000 62.549 -0.549 18812 7456 1 15 . 1 1 11 11 THR CB C 11 69.800 69.800 69.573 0.227 18812 7457 1 15 . 1 1 11 11 THR H H 11 8.100 8.100 7.714 0.386 18812 7458 1 15 . 1 1 12 12 LEU N N 12 124.100 124.100 126.878 -2.778 18812 7459 1 15 . 1 1 12 12 LEU C C 12 177.600 177.600 175.837 1.763 18812 7460 1 15 . 1 1 12 12 LEU CA C 12 55.400 55.400 54.950 0.450 18812 7461 1 15 . 1 1 12 12 LEU CB C 12 42.000 42.000 41.831 0.169 18812 7462 1 15 . 1 1 12 12 LEU H H 12 8.380 8.380 8.391 -0.011 18812 7463 1 15 . 1 1 13 13 GLU N N 13 121.500 121.500 125.980 -4.480 18812 7464 1 15 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.591 -0.371 18812 7465 1 15 . 1 1 13 13 GLU C C 13 176.300 176.300 175.174 1.126 18812 7466 1 15 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.503 1.397 18812 7467 1 15 . 1 1 13 13 GLU CB C 13 29.600 29.600 32.387 -2.787 18812 7468 1 15 . 1 1 13 13 GLU H H 13 8.440 8.440 8.425 0.015 18812 7469 1 15 . 1 1 14 14 ALA N N 14 124.300 124.300 124.882 -0.582 18812 7470 1 15 . 1 1 14 14 ALA CA C 14 52.600 52.600 52.043 0.557 18812 7471 1 15 . 1 1 14 14 ALA CB C 14 19.000 19.000 19.851 -0.851 18812 7472 1 15 . 1 1 14 14 ALA H H 14 8.280 8.280 8.357 -0.078 18812 7473 1 15 . 1 1 15 15 GLN N N 15 118.700 118.700 121.942 -3.242 18812 7474 1 15 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.348 0.052 18812 7475 1 15 . 1 1 15 15 GLN C C 15 176.300 176.300 176.163 0.137 18812 7476 1 15 . 1 1 15 15 GLN CA C 15 55.800 55.800 56.145 -0.345 18812 7477 1 15 . 1 1 15 15 GLN CB C 15 29.300 29.300 29.233 0.067 18812 7478 1 15 . 1 1 15 15 GLN H H 15 8.360 8.360 8.714 -0.354 18812 7479 1 15 . 1 1 16 16 THR N N 16 114.800 114.800 113.947 0.853 18812 7480 1 15 . 1 1 16 16 THR C C 16 174.400 174.400 174.759 -0.359 18812 7481 1 15 . 1 1 16 16 THR CA C 16 62.000 62.000 61.587 0.412 18812 7482 1 15 . 1 1 16 16 THR CB C 16 69.700 69.700 68.913 0.787 18812 7483 1 15 . 1 1 16 16 THR H H 16 8.200 8.200 7.756 0.444 18812 7484 1 15 . 1 1 17 17 GLN N N 17 122.200 122.200 127.103 -4.903 18812 7485 1 15 . 1 1 17 17 GLN C C 17 175.900 175.900 175.355 0.545 18812 7486 1 15 . 1 1 17 17 GLN CA C 17 55.500 55.500 55.901 -0.401 18812 7487 1 15 . 1 1 17 17 GLN CB C 17 29.600 29.600 27.791 1.808 18812 7488 1 15 . 1 1 17 17 GLN H H 17 8.430 8.430 8.807 -0.377 18812 7489 1 15 . 1 1 18 18 GLY N N 18 110.100 110.100 110.859 -0.759 18812 7490 1 15 . 1 1 18 18 GLY CA C 18 44.500 44.500 45.560 -1.060 18812 7491 1 15 . 1 1 18 18 GLY H H 18 8.360 8.360 7.635 0.725 18812 7492 1 15 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.525 -0.065 18812 7493 1 15 . 1 1 19 19 PRO C C 19 177.700 177.700 176.747 0.953 18812 7494 1 15 . 1 1 19 19 PRO CA C 19 63.600 63.600 62.268 1.332 18812 7495 1 15 . 1 1 19 19 PRO CB C 19 31.900 31.900 30.414 1.486 18812 7496 1 15 . 1 1 20 20 GLY N N 20 109.600 109.600 110.177 -0.577 18812 7497 1 15 . 1 1 20 20 GLY C C 20 174.100 174.100 173.341 0.759 18812 7498 1 15 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.810 0.390 18812 7499 1 15 . 1 1 20 20 GLY H H 20 8.630 8.630 8.213 0.417 18812 7500 1 15 . 1 1 21 21 SER N N 21 115.300 115.300 120.208 -4.908 18812 7501 1 15 . 1 1 21 21 SER HA H 21 4.460 4.460 5.152 -0.692 18812 7502 1 15 . 1 1 21 21 SER C C 21 174.100 174.100 173.060 1.040 18812 7503 1 15 . 1 1 21 21 SER CA C 21 58.300 58.300 54.608 3.692 18812 7504 1 15 . 1 1 21 21 SER CB C 21 63.900 63.900 63.951 -0.051 18812 7505 1 15 . 1 1 21 21 SER H H 21 8.150 8.150 8.463 -0.313 18812 7506 1 15 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.447 -0.007 18812 7507 1 15 . 1 1 22 22 PRO C C 22 176.800 176.800 175.494 1.306 18812 7508 1 15 . 1 1 22 22 PRO CA C 22 63.100 63.100 63.100 -0.000 18812 7509 1 15 . 1 1 22 22 PRO CB C 22 32.100 32.100 29.996 2.104 18812 7510 1 15 . 1 1 23 23 GLU N N 23 120.900 120.900 122.202 -1.302 18812 7511 1 15 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.453 -0.173 18812 7512 1 15 . 1 1 23 23 GLU C C 23 177.000 177.000 177.134 -0.134 18812 7513 1 15 . 1 1 23 23 GLU CA C 23 56.600 56.600 56.084 0.516 18812 7514 1 15 . 1 1 23 23 GLU CB C 23 30.400 30.400 30.193 0.207 18812 7515 1 15 . 1 1 23 23 GLU H H 23 8.630 8.630 8.285 0.345 18812 7516 1 15 . 1 1 24 24 GLY N N 24 109.800 109.800 111.431 -1.631 18812 7517 1 15 . 1 1 24 24 GLY C C 24 173.600 173.600 174.316 -0.716 18812 7518 1 15 . 1 1 24 24 GLY CA C 24 45.100 45.100 45.358 -0.258 18812 7519 1 15 . 1 1 24 24 GLY H H 24 8.450 8.450 8.801 -0.351 18812 7520 1 15 . 1 1 25 25 VAL N N 25 120.600 120.600 120.249 0.351 18812 7521 1 15 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.381 0.079 18812 7522 1 15 . 1 1 25 25 VAL CA C 25 59.700 59.700 59.391 0.309 18812 7523 1 15 . 1 1 25 25 VAL CB C 25 32.600 32.600 33.534 -0.934 18812 7524 1 15 . 1 1 25 25 VAL H H 25 7.990 7.990 7.499 0.491 18812 7525 1 15 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.412 0.108 18812 7526 1 15 . 1 1 27 27 PRO C C 27 177.200 177.200 175.907 1.293 18812 7527 1 15 . 1 1 27 27 PRO CA C 27 63.100 63.100 63.799 -0.699 18812 7528 1 15 . 1 1 27 27 PRO CB C 27 32.000 32.000 31.535 0.465 18812 7529 1 15 . 1 1 28 28 THR N N 28 113.000 113.000 120.485 -7.485 18812 7530 1 15 . 1 1 28 28 THR HA H 28 4.270 4.270 4.536 -0.266 18812 7531 1 15 . 1 1 28 28 THR C C 28 174.400 174.400 173.506 0.894 18812 7532 1 15 . 1 1 28 28 THR CA C 28 62.000 62.000 61.769 0.231 18812 7533 1 15 . 1 1 28 28 THR CB C 28 69.700 69.700 71.067 -1.367 18812 7534 1 15 . 1 1 28 28 THR H H 28 8.160 8.160 8.131 0.029 18812 7535 1 15 . 1 1 29 29 ASP N N 29 122.100 122.100 124.038 -1.938 18812 7536 1 15 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.458 0.122 18812 7537 1 15 . 1 1 29 29 ASP CA C 29 54.300 54.300 55.572 -1.272 18812 7538 1 15 . 1 1 29 29 ASP CB C 29 40.900 40.900 41.134 -0.234 18812 7539 1 15 . 1 1 29 29 ASP H H 29 8.290 8.290 8.621 -0.331 18812 7540 1 15 . 1 1 30 30 ARG N N 30 120.300 120.300 119.814 0.486 18812 7541 1 15 . 1 1 30 30 ARG HA H 30 4.190 4.190 3.859 0.331 18812 7542 1 15 . 1 1 30 30 ARG C C 30 175.600 175.600 176.078 -0.478 18812 7543 1 15 . 1 1 30 30 ARG CA C 30 56.200 56.200 58.101 -1.901 18812 7544 1 15 . 1 1 30 30 ARG CB C 30 30.800 30.800 30.436 0.364 18812 7545 1 15 . 1 1 30 30 ARG H H 30 8.070 8.070 8.139 -0.069 18812 7546 1 15 . 1 1 31 31 PHE N N 31 120.500 120.500 114.971 5.529 18812 7547 1 15 . 1 1 31 31 PHE CB C 31 38.800 38.800 40.860 -2.060 18812 7548 1 15 . 1 1 31 31 PHE H H 31 8.240 8.240 7.803 0.437 18812 7549 1 15 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.688 -0.248 18812 7550 1 15 . 1 1 32 32 PRO C C 32 177.200 177.200 175.519 1.681 18812 7551 1 15 . 1 1 32 32 PRO CA C 32 63.400 63.400 62.886 0.514 18812 7552 1 15 . 1 1 32 32 PRO CB C 32 31.700 31.700 31.560 0.140 18812 7553 1 15 . 1 1 33 33 LEU N N 33 121.000 121.000 118.251 2.749 18812 7554 1 15 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.666 -0.336 18812 7555 1 15 . 1 1 33 33 LEU CA C 33 55.600 55.600 53.648 1.952 18812 7556 1 15 . 1 1 33 33 LEU CB C 33 42.100 42.100 42.340 -0.240 18812 7557 1 15 . 1 1 33 33 LEU H H 33 8.290 8.290 7.615 0.675 18812 7558 1 15 . 1 1 34 34 LEU N N 34 122.100 122.100 122.192 -0.092 18812 7559 1 15 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.385 -0.075 18812 7560 1 15 . 1 1 34 34 LEU C C 34 177.300 177.300 176.536 0.764 18812 7561 1 15 . 1 1 34 34 LEU CA C 34 55.200 55.200 54.763 0.437 18812 7562 1 15 . 1 1 34 34 LEU CB C 34 41.900 41.900 39.064 2.836 18812 7563 1 15 . 1 1 34 34 LEU H H 34 8.110 8.110 8.596 -0.486 18812 7564 1 15 . 1 1 35 35 ALA N N 35 123.400 123.400 128.251 -4.851 18812 7565 1 15 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.399 -0.119 18812 7566 1 15 . 1 1 35 35 ALA C C 35 177.600 177.600 176.409 1.191 18812 7567 1 15 . 1 1 35 35 ALA CA C 35 52.700 52.700 52.373 0.327 18812 7568 1 15 . 1 1 35 35 ALA CB C 35 18.800 18.800 18.008 0.792 18812 7569 1 15 . 1 1 35 35 ALA H H 35 8.140 8.140 8.212 -0.072 18812 7570 1 15 . 1 1 36 36 LEU N N 36 120.000 120.000 122.755 -2.755 18812 7571 1 15 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.893 -0.632 18812 7572 1 15 . 1 1 36 36 LEU CA C 36 55.500 55.500 53.222 2.278 18812 7573 1 15 . 1 1 36 36 LEU CB C 36 42.000 42.000 43.304 -1.304 18812 7574 1 15 . 1 1 36 36 LEU H H 36 7.990 7.990 7.954 0.036 18812 7575 1 15 . 1 1 37 37 LEU N N 37 122.700 122.700 123.007 -0.307 18812 7576 1 15 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.256 0.124 18812 7577 1 15 . 1 1 37 37 LEU C C 37 177.100 177.100 176.028 1.072 18812 7578 1 15 . 1 1 37 37 LEU CA C 37 55.000 55.000 55.081 -0.081 18812 7579 1 15 . 1 1 37 37 LEU CB C 37 42.100 42.100 41.616 0.484 18812 7580 1 15 . 1 1 37 37 LEU H H 37 8.190 8.190 8.259 -0.069 18812 7581 1 15 . 1 1 38 38 ARG N N 38 121.600 121.600 125.174 -3.574 18812 7582 1 15 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.580 -0.110 18812 7583 1 15 . 1 1 38 38 ARG C C 38 176.200 176.200 175.585 0.615 18812 7584 1 15 . 1 1 38 38 ARG CA C 38 55.100 55.100 53.833 1.268 18812 7585 1 15 . 1 1 38 38 ARG CB C 38 31.200 31.200 31.312 -0.112 18812 7586 1 15 . 1 1 38 38 ARG H H 38 8.040 8.040 8.026 0.014 18812 7587 1 15 . 1 1 39 39 ARG N N 39 123.600 123.600 126.276 -2.676 18812 7588 1 15 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.271 0.099 18812 7589 1 15 . 1 1 39 39 ARG C C 39 175.500 175.500 175.399 0.101 18812 7590 1 15 . 1 1 39 39 ARG CA C 39 56.700 56.700 56.468 0.233 18812 7591 1 15 . 1 1 39 39 ARG CB C 39 31.200 31.200 28.434 2.766 18812 7592 1 15 . 1 1 39 39 ARG H H 39 8.840 8.840 8.741 0.099 18812 7593 1 15 . 1 1 40 40 THR N N 40 113.900 113.900 115.811 -1.911 18812 7594 1 15 . 1 1 40 40 THR HA H 40 4.770 4.770 4.465 0.305 18812 7595 1 15 . 1 1 40 40 THR C C 40 175.300 175.300 172.914 2.386 18812 7596 1 15 . 1 1 40 40 THR CA C 40 59.500 59.500 60.761 -1.261 18812 7597 1 15 . 1 1 40 40 THR CB C 40 71.700 71.700 71.233 0.467 18812 7598 1 15 . 1 1 40 40 THR H H 40 8.150 8.150 8.285 -0.135 18812 7599 1 15 . 1 1 41 41 LEU N N 41 123.100 123.100 122.449 0.651 18812 7600 1 15 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.696 -0.226 18812 7601 1 15 . 1 1 41 41 LEU C C 41 179.700 179.700 176.740 2.960 18812 7602 1 15 . 1 1 41 41 LEU CA C 41 54.900 54.900 53.885 1.016 18812 7603 1 15 . 1 1 41 41 LEU CB C 41 43.000 43.000 42.626 0.374 18812 7604 1 15 . 1 1 41 41 LEU H H 41 9.480 9.480 8.451 1.029 18812 7605 1 15 . 1 1 42 42 THR N N 42 115.100 115.100 118.627 -3.527 18812 7606 1 15 . 1 1 42 42 THR HA H 42 4.580 4.580 4.310 0.270 18812 7607 1 15 . 1 1 42 42 THR C C 42 175.400 175.400 175.500 -0.100 18812 7608 1 15 . 1 1 42 42 THR CA C 42 60.900 60.900 61.094 -0.194 18812 7609 1 15 . 1 1 42 42 THR CB C 42 70.600 70.600 70.897 -0.297 18812 7610 1 15 . 1 1 42 42 THR H H 42 8.790 8.790 8.387 0.403 18812 7611 1 15 . 1 1 43 43 GLU N N 43 121.400 121.400 122.745 -1.345 18812 7612 1 15 . 1 1 43 43 GLU HA H 43 4.020 4.020 3.962 0.059 18812 7613 1 15 . 1 1 43 43 GLU C C 43 179.100 179.100 178.336 0.764 18812 7614 1 15 . 1 1 43 43 GLU CA C 43 59.700 59.700 60.347 -0.647 18812 7615 1 15 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.595 -0.695 18812 7616 1 15 . 1 1 43 43 GLU H H 43 9.020 9.020 8.955 0.065 18812 7617 1 15 . 1 1 44 44 GLU N N 44 118.300 118.300 117.839 0.461 18812 7618 1 15 . 1 1 44 44 GLU HA H 44 4.020 4.020 3.965 0.055 18812 7619 1 15 . 1 1 44 44 GLU C C 44 179.700 179.700 178.993 0.707 18812 7620 1 15 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.402 0.798 18812 7621 1 15 . 1 1 44 44 GLU CB C 44 29.000 29.000 29.190 -0.190 18812 7622 1 15 . 1 1 44 44 GLU H H 44 8.810 8.810 8.703 0.107 18812 7623 1 15 . 1 1 45 45 GLN N N 45 119.300 119.300 118.128 1.172 18812 7624 1 15 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.165 0.055 18812 7625 1 15 . 1 1 45 45 GLN C C 45 178.500 178.500 178.880 -0.380 18812 7626 1 15 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.222 0.077 18812 7627 1 15 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.649 0.551 18812 7628 1 15 . 1 1 45 45 GLN H H 45 7.800 7.800 7.651 0.149 18812 7629 1 15 . 1 1 46 46 VAL N N 46 121.000 121.000 121.388 -0.388 18812 7630 1 15 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.566 -0.166 18812 7631 1 15 . 1 1 46 46 VAL C C 46 177.500 177.500 178.196 -0.696 18812 7632 1 15 . 1 1 46 46 VAL CA C 46 67.600 67.600 66.907 0.693 18812 7633 1 15 . 1 1 46 46 VAL CB C 46 31.300 31.300 31.405 -0.105 18812 7634 1 15 . 1 1 46 46 VAL H H 46 8.420 8.420 8.463 -0.043 18812 7635 1 15 . 1 1 47 47 GLN N N 47 115.900 115.900 117.667 -1.767 18812 7636 1 15 . 1 1 47 47 GLN HA H 47 3.890 3.890 4.028 -0.138 18812 7637 1 15 . 1 1 47 47 GLN C C 47 178.500 178.500 178.397 0.103 18812 7638 1 15 . 1 1 47 47 GLN CA C 47 58.800 58.800 59.084 -0.284 18812 7639 1 15 . 1 1 47 47 GLN CB C 47 27.700 27.700 28.396 -0.696 18812 7640 1 15 . 1 1 47 47 GLN H H 47 7.470 7.470 8.634 -1.164 18812 7641 1 15 . 1 1 48 48 GLU N N 48 121.400 121.400 121.568 -0.168 18812 7642 1 15 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.020 0.100 18812 7643 1 15 . 1 1 48 48 GLU C C 48 178.500 178.500 178.745 -0.245 18812 7644 1 15 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.922 -0.622 18812 7645 1 15 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.481 0.319 18812 7646 1 15 . 1 1 48 48 GLU H H 48 7.940 7.940 8.180 -0.240 18812 7647 1 15 . 1 1 49 49 VAL N N 49 120.300 120.300 119.662 0.638 18812 7648 1 15 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.840 -0.250 18812 7649 1 15 . 1 1 49 49 VAL CA C 49 67.200 67.200 66.684 0.516 18812 7650 1 15 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.268 0.232 18812 7651 1 15 . 1 1 49 49 VAL H H 49 8.580 8.580 8.191 0.389 18812 7652 1 15 . 1 1 50 50 VAL N N 50 118.700 118.700 117.894 0.806 18812 7653 1 15 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.687 -0.467 18812 7654 1 15 . 1 1 50 50 VAL C C 50 178.600 178.600 177.654 0.946 18812 7655 1 15 . 1 1 50 50 VAL CA C 50 67.500 67.500 66.515 0.985 18812 7656 1 15 . 1 1 50 50 VAL CB C 50 31.400 31.400 30.596 0.804 18812 7657 1 15 . 1 1 50 50 VAL H H 50 8.350 8.350 8.311 0.039 18812 7658 1 15 . 1 1 51 51 ALA N N 51 123.200 123.200 124.159 -0.959 18812 7659 1 15 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.092 -0.262 18812 7660 1 15 . 1 1 51 51 ALA C C 51 180.100 180.100 179.480 0.620 18812 7661 1 15 . 1 1 51 51 ALA CA C 51 55.300 55.300 54.754 0.546 18812 7662 1 15 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.779 -1.079 18812 7663 1 15 . 1 1 51 51 ALA H H 51 8.320 8.320 8.254 0.066 18812 7664 1 15 . 1 1 52 52 LYS N N 52 117.200 117.200 117.203 -0.003 18812 7665 1 15 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.230 -0.110 18812 7666 1 15 . 1 1 52 52 LYS C C 52 180.200 180.200 179.222 0.978 18812 7667 1 15 . 1 1 52 52 LYS CA C 52 59.200 59.200 57.557 1.643 18812 7668 1 15 . 1 1 52 52 LYS CB C 52 32.700 32.700 32.648 0.052 18812 7669 1 15 . 1 1 52 52 LYS H H 52 8.170 8.170 7.853 0.317 18812 7670 1 15 . 1 1 53 53 LEU N N 53 118.600 118.600 119.286 -0.686 18812 7671 1 15 . 1 1 53 53 LEU HA H 53 3.390 3.390 3.569 -0.179 18812 7672 1 15 . 1 1 53 53 LEU C C 53 176.300 176.300 178.306 -2.006 18812 7673 1 15 . 1 1 53 53 LEU CA C 53 56.300 56.300 57.138 -0.838 18812 7674 1 15 . 1 1 53 53 LEU CB C 53 44.300 44.300 41.640 2.660 18812 7675 1 15 . 1 1 53 53 LEU H H 53 8.170 8.170 8.311 -0.141 18812 7676 1 15 . 1 1 54 54 THR N N 54 103.000 103.000 106.394 -3.394 18812 7677 1 15 . 1 1 54 54 THR HA H 54 3.490 3.490 4.069 -0.579 18812 7678 1 15 . 1 1 54 54 THR C C 54 173.600 173.600 173.930 -0.330 18812 7679 1 15 . 1 1 54 54 THR CA C 54 60.800 60.800 61.130 -0.330 18812 7680 1 15 . 1 1 54 54 THR CB C 54 69.700 69.700 67.670 2.030 18812 7681 1 15 . 1 1 54 54 THR H H 54 6.990 6.990 7.219 -0.229 18812 7682 1 15 . 1 1 55 55 ASP N N 55 126.400 126.400 124.023 2.377 18812 7683 1 15 . 1 1 55 55 ASP HA H 55 4.630 4.630 4.855 -0.225 18812 7684 1 15 . 1 1 55 55 ASP CA C 55 52.600 52.600 51.267 1.333 18812 7685 1 15 . 1 1 55 55 ASP CB C 55 42.200 42.200 42.234 -0.034 18812 7686 1 15 . 1 1 55 55 ASP H H 55 6.900 6.900 7.553 -0.653 18812 7687 1 15 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.235 0.105 18812 7688 1 15 . 1 1 56 56 PRO C C 56 178.500 178.500 178.057 0.443 18812 7689 1 15 . 1 1 56 56 PRO CA C 56 65.100 65.100 64.815 0.285 18812 7690 1 15 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.026 0.074 18812 7691 1 15 . 1 1 57 57 GLU N N 57 115.700 115.700 118.595 -2.895 18812 7692 1 15 . 1 1 57 57 GLU C C 57 176.300 176.300 178.844 -2.544 18812 7693 1 15 . 1 1 57 57 GLU CA C 57 59.600 59.600 58.185 1.415 18812 7694 1 15 . 1 1 57 57 GLU CB C 57 29.400 29.400 29.186 0.213 18812 7695 1 15 . 1 1 57 57 GLU H H 57 8.640 8.640 7.937 0.703 18812 7696 1 15 . 1 1 58 58 SER N N 58 115.000 115.000 117.071 -2.071 18812 7697 1 15 . 1 1 58 58 SER HA H 58 4.260 4.260 4.292 -0.032 18812 7698 1 15 . 1 1 58 58 SER C C 58 177.400 177.400 176.113 1.287 18812 7699 1 15 . 1 1 58 58 SER CA C 58 62.900 62.900 61.476 1.424 18812 7700 1 15 . 1 1 58 58 SER CB C 58 69.300 69.300 63.338 5.962 18812 7701 1 15 . 1 1 58 58 SER H H 58 8.180 8.180 8.181 -0.001 18812 7702 1 15 . 1 1 60 60 ALA N N 60 123.000 123.000 123.071 -0.071 18812 7703 1 15 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.350 0.280 18812 7704 1 15 . 1 1 60 60 ALA C C 60 180.600 180.600 178.565 2.035 18812 7705 1 15 . 1 1 60 60 ALA CA C 60 53.600 53.600 54.267 -0.667 18812 7706 1 15 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.527 0.673 18812 7707 1 15 . 1 1 60 60 ALA H H 60 8.020 8.020 8.305 -0.285 18812 7708 1 15 . 1 1 61 61 GLN N N 61 114.000 114.000 117.070 -3.070 18812 7709 1 15 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.155 -0.135 18812 7710 1 15 . 1 1 61 61 GLN C C 61 176.900 176.900 177.572 -0.672 18812 7711 1 15 . 1 1 61 61 GLN CA C 61 54.900 54.900 57.719 -2.819 18812 7712 1 15 . 1 1 61 61 GLN CB C 61 28.500 28.500 28.466 0.034 18812 7713 1 15 . 1 1 61 61 GLN H H 61 7.500 7.500 7.615 -0.115 18812 7714 1 15 . 1 1 62 62 ILE N N 62 123.900 123.900 118.901 4.999 18812 7715 1 15 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.831 -0.051 18812 7716 1 15 . 1 1 62 62 ILE C C 62 176.800 176.800 177.510 -0.710 18812 7717 1 15 . 1 1 62 62 ILE CA C 62 65.900 65.900 64.005 1.895 18812 7718 1 15 . 1 1 62 62 ILE CB C 62 37.700 37.700 37.606 0.094 18812 7719 1 15 . 1 1 62 62 ILE H H 62 7.240 7.240 7.491 -0.251 18812 7720 1 15 . 1 1 63 63 ASP N N 63 114.100 114.100 116.515 -2.415 18812 7721 1 15 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.765 0.045 18812 7722 1 15 . 1 1 63 63 ASP C C 63 177.500 177.500 176.548 0.952 18812 7723 1 15 . 1 1 63 63 ASP CA C 63 51.700 51.700 54.152 -2.452 18812 7724 1 15 . 1 1 63 63 ASP CB C 63 40.300 40.300 43.610 -3.310 18812 7725 1 15 . 1 1 63 63 ASP H H 63 7.860 7.860 8.136 -0.276 18812 7726 1 15 . 1 1 64 64 GLY N N 64 104.800 104.800 109.433 -4.633 18812 7727 1 15 . 1 1 64 64 GLY C C 64 173.400 173.400 173.291 0.109 18812 7728 1 15 . 1 1 64 64 GLY CA C 64 45.900 45.900 45.491 0.409 18812 7729 1 15 . 1 1 64 64 GLY H H 64 7.860 7.860 7.791 0.069 18812 7730 1 15 . 1 1 65 65 VAL N N 65 117.700 117.700 118.406 -0.706 18812 7731 1 15 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.389 0.111 18812 7732 1 15 . 1 1 65 65 VAL C C 65 173.300 173.300 173.852 -0.552 18812 7733 1 15 . 1 1 65 65 VAL CA C 65 60.100 60.100 60.938 -0.838 18812 7734 1 15 . 1 1 65 65 VAL CB C 65 36.100 36.100 34.917 1.183 18812 7735 1 15 . 1 1 65 65 VAL H H 65 7.550 7.550 8.108 -0.558 18812 7736 1 15 . 1 1 66 66 VAL N N 66 129.500 129.500 127.268 2.232 18812 7737 1 15 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.525 0.205 18812 7738 1 15 . 1 1 66 66 VAL C C 66 174.300 174.300 174.448 -0.148 18812 7739 1 15 . 1 1 66 66 VAL CA C 66 61.500 61.500 61.491 0.009 18812 7740 1 15 . 1 1 66 66 VAL CB C 66 31.800 31.800 33.066 -1.266 18812 7741 1 15 . 1 1 66 66 VAL H H 66 8.540 8.540 8.491 0.049 18812 7742 1 15 . 1 1 67 67 SER N N 67 123.500 123.500 124.217 -0.717 18812 7743 1 15 . 1 1 67 67 SER HA H 67 5.510 5.510 4.807 0.703 18812 7744 1 15 . 1 1 67 67 SER CA C 67 55.700 55.700 56.793 -1.093 18812 7745 1 15 . 1 1 67 67 SER CB C 67 66.100 66.100 65.552 0.548 18812 7746 1 15 . 1 1 67 67 SER H H 67 9.370 9.370 8.249 1.121 18812 7747 1 15 . 1 1 68 68 LYS C C 68 177.100 177.100 178.190 -1.090 18812 7748 1 15 . 1 1 69 69 ASP N N 69 114.800 114.800 118.870 -4.070 18812 7749 1 15 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.545 -0.095 18812 7750 1 15 . 1 1 69 69 ASP C C 69 178.800 178.800 178.301 0.499 18812 7751 1 15 . 1 1 69 69 ASP CA C 69 56.900 56.900 57.361 -0.461 18812 7752 1 15 . 1 1 69 69 ASP CB C 69 40.400 40.400 40.252 0.148 18812 7753 1 15 . 1 1 69 69 ASP H H 69 8.420 8.420 8.570 -0.150 18812 7754 1 15 . 1 1 70 70 GLU N N 70 120.300 120.300 119.633 0.667 18812 7755 1 15 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.082 0.068 18812 7756 1 15 . 1 1 70 70 GLU C C 70 178.000 178.000 178.583 -0.583 18812 7757 1 15 . 1 1 70 70 GLU CA C 70 59.200 59.200 59.333 -0.133 18812 7758 1 15 . 1 1 70 70 GLU CB C 70 28.600 28.600 29.157 -0.556 18812 7759 1 15 . 1 1 70 70 GLU H H 70 7.600 7.600 8.215 -0.615 18812 7760 1 15 . 1 1 71 71 ILE N N 71 119.100 119.100 120.631 -1.531 18812 7761 1 15 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.567 -0.137 18812 7762 1 15 . 1 1 71 71 ILE C C 71 177.300 177.300 177.996 -0.696 18812 7763 1 15 . 1 1 71 71 ILE CA C 71 67.300 67.300 65.803 1.497 18812 7764 1 15 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.560 0.240 18812 7765 1 15 . 1 1 71 71 ILE H H 71 8.050 8.050 7.796 0.254 18812 7766 1 15 . 1 1 72 72 GLU N N 72 116.200 116.200 119.894 -3.694 18812 7767 1 15 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.948 -0.298 18812 7768 1 15 . 1 1 72 72 GLU C C 72 178.000 178.000 179.070 -1.070 18812 7769 1 15 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.605 1.395 18812 7770 1 15 . 1 1 72 72 GLU CB C 72 30.200 30.200 29.107 1.093 18812 7771 1 15 . 1 1 72 72 GLU H H 72 8.460 8.460 8.172 0.288 18812 7772 1 15 . 1 1 73 73 LYS N N 73 118.600 118.600 120.413 -1.813 18812 7773 1 15 . 1 1 73 73 LYS C C 73 179.000 179.000 178.932 0.068 18812 7774 1 15 . 1 1 73 73 LYS CA C 73 59.400 59.400 58.759 0.641 18812 7775 1 15 . 1 1 73 73 LYS CB C 73 32.600 32.600 32.054 0.546 18812 7776 1 15 . 1 1 73 73 LYS H H 73 8.020 8.020 7.532 0.488 18812 7777 1 15 . 1 1 74 74 PHE N N 74 118.500 118.500 118.428 0.072 18812 7778 1 15 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.223 0.097 18812 7779 1 15 . 1 1 74 74 PHE C C 74 179.400 179.400 178.390 1.010 18812 7780 1 15 . 1 1 74 74 PHE CA C 74 61.300 61.300 61.718 -0.417 18812 7781 1 15 . 1 1 74 74 PHE CB C 74 38.300 38.300 38.873 -0.574 18812 7782 1 15 . 1 1 74 74 PHE H H 74 8.870 8.870 8.458 0.412 18812 7783 1 15 . 1 1 75 75 ILE N N 75 119.000 119.000 119.752 -0.752 18812 7784 1 15 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.591 0.179 18812 7785 1 15 . 1 1 75 75 ILE C C 75 177.900 177.900 178.400 -0.500 18812 7786 1 15 . 1 1 75 75 ILE CA C 75 66.800 66.800 65.255 1.545 18812 7787 1 15 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.714 0.786 18812 7788 1 15 . 1 1 75 75 ILE H H 75 8.570 8.570 8.319 0.251 18812 7789 1 15 . 1 1 76 76 ALA N N 76 122.200 122.200 121.646 0.554 18812 7790 1 15 . 1 1 76 76 ALA HA H 76 4.570 4.570 4.006 0.564 18812 7791 1 15 . 1 1 76 76 ALA C C 76 181.000 181.000 179.532 1.468 18812 7792 1 15 . 1 1 76 76 ALA CA C 76 54.600 54.600 55.221 -0.621 18812 7793 1 15 . 1 1 76 76 ALA CB C 76 18.400 18.400 17.705 0.695 18812 7794 1 15 . 1 1 76 76 ALA H H 76 8.230 8.230 8.458 -0.228 18812 7795 1 15 . 1 1 77 77 ASP N N 77 117.200 117.200 118.439 -1.239 18812 7796 1 15 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.407 0.033 18812 7797 1 15 . 1 1 77 77 ASP C C 77 177.200 177.200 177.485 -0.285 18812 7798 1 15 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.872 -0.172 18812 7799 1 15 . 1 1 77 77 ASP CB C 77 41.100 41.100 41.078 0.022 18812 7800 1 15 . 1 1 77 77 ASP H H 77 7.900 7.900 7.874 0.026 18812 7801 1 15 . 1 1 78 78 VAL N N 78 118.100 118.100 118.358 -0.258 18812 7802 1 15 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.096 -0.126 18812 7803 1 15 . 1 1 78 78 VAL C C 78 177.800 177.800 174.951 2.849 18812 7804 1 15 . 1 1 78 78 VAL CA C 78 64.800 64.800 62.161 2.639 18812 7805 1 15 . 1 1 78 78 VAL CB C 78 32.700 32.700 29.422 3.278 18812 7806 1 15 . 1 1 78 78 VAL H H 78 7.730 7.730 7.736 -0.006 18812 7807 1 15 . 1 1 79 79 THR N N 79 109.800 109.800 111.303 -1.503 18812 7808 1 15 . 1 1 79 79 THR HA H 79 4.100 4.100 3.982 0.118 18812 7809 1 15 . 1 1 79 79 THR C C 79 175.700 175.700 174.534 1.166 18812 7810 1 15 . 1 1 79 79 THR CA C 79 69.400 69.400 64.105 5.295 18812 7811 1 15 . 1 1 79 79 THR CB C 79 63.100 63.100 67.829 -4.729 18812 7812 1 15 . 1 1 79 79 THR H H 79 8.830 8.830 7.481 1.349 18812 7813 1 15 . 1 1 80 80 LYS N N 80 115.700 115.700 119.717 -4.017 18812 7814 1 15 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.042 -0.032 18812 7815 1 15 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.212 -1.512 18812 7816 1 15 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.682 -4.282 18812 7817 1 15 . 1 1 80 80 LYS H H 80 8.440 8.440 7.640 0.800 18812 7818 1 15 . 1 1 81 81 ASP N N 81 119.600 119.600 117.728 1.872 18812 7819 1 15 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.224 0.626 18812 7820 1 15 . 1 1 81 81 ASP C C 81 174.400 174.400 175.320 -0.920 18812 7821 1 15 . 1 1 81 81 ASP CA C 81 51.200 51.200 57.034 -5.834 18812 7822 1 15 . 1 1 81 81 ASP CB C 81 44.400 44.400 39.939 4.461 18812 7823 1 15 . 1 1 81 81 ASP H H 81 8.140 8.140 7.954 0.186 18812 7824 1 15 . 1 1 82 82 GLU N N 82 120.500 120.500 122.319 -1.819 18812 7825 1 15 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.710 -0.260 18812 7826 1 15 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.806 0.395 18812 7827 1 15 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.326 -0.426 18812 7828 1 15 . 1 1 82 82 GLU H H 82 8.810 8.810 8.359 0.451 18812 7829 1 15 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.708 -0.058 18812 7830 1 15 . 1 1 83 83 PRO C C 83 176.900 176.900 175.861 1.039 18812 7831 1 15 . 1 1 83 83 PRO CA C 83 62.400 62.400 61.956 0.444 18812 7832 1 15 . 1 1 83 83 PRO CB C 83 32.600 32.600 32.956 -0.356 18812 7833 1 15 . 1 1 84 84 THR N N 84 115.300 115.300 115.515 -0.215 18812 7834 1 15 . 1 1 84 84 THR HA H 84 4.590 4.590 4.586 0.004 18812 7835 1 15 . 1 1 84 84 THR C C 84 175.000 175.000 174.718 0.282 18812 7836 1 15 . 1 1 84 84 THR CA C 84 59.800 59.800 59.455 0.345 18812 7837 1 15 . 1 1 84 84 THR CB C 84 71.700 71.700 71.213 0.487 18812 7838 1 15 . 1 1 84 84 THR H H 84 9.550 9.550 8.769 0.781 18812 7839 1 15 . 1 1 85 85 ALA N N 85 124.400 124.400 125.359 -0.959 18812 7840 1 15 . 1 1 85 85 ALA HA H 85 4.060 4.060 4.060 -0.000 18812 7841 1 15 . 1 1 85 85 ALA C C 85 180.900 180.900 179.355 1.545 18812 7842 1 15 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.505 -0.205 18812 7843 1 15 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.586 -0.586 18812 7844 1 15 . 1 1 85 85 ALA H H 85 8.970 8.970 8.755 0.215 18812 7845 1 15 . 1 1 86 86 GLN N N 86 116.500 116.500 118.143 -1.643 18812 7846 1 15 . 1 1 86 86 GLN HA H 86 4.120 4.120 4.013 0.107 18812 7847 1 15 . 1 1 86 86 GLN CA C 86 58.900 58.900 59.286 -0.386 18812 7848 1 15 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.431 -0.331 18812 7849 1 15 . 1 1 86 86 GLN H H 86 8.680 8.680 8.321 0.359 18812 7850 1 15 . 1 1 87 87 ASP N N 87 122.300 122.300 119.599 2.701 18812 7851 1 15 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.433 0.167 18812 7852 1 15 . 1 1 87 87 ASP C C 87 178.200 178.200 178.689 -0.489 18812 7853 1 15 . 1 1 87 87 ASP CA C 87 57.800 57.800 56.835 0.965 18812 7854 1 15 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.259 -0.559 18812 7855 1 15 . 1 1 87 87 ASP H H 87 7.820 7.820 7.746 0.074 18812 7856 1 15 . 1 1 88 88 ILE N N 88 120.900 120.900 120.802 0.098 18812 7857 1 15 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.693 -0.213 18812 7858 1 15 . 1 1 88 88 ILE C C 88 177.800 177.800 178.225 -0.425 18812 7859 1 15 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.692 1.109 18812 7860 1 15 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.577 0.723 18812 7861 1 15 . 1 1 88 88 ILE H H 88 8.160 8.160 8.299 -0.139 18812 7862 1 15 . 1 1 89 89 SER N N 89 113.200 113.200 115.442 -2.242 18812 7863 1 15 . 1 1 89 89 SER HA H 89 4.240 4.240 4.107 0.133 18812 7864 1 15 . 1 1 89 89 SER C C 89 177.200 177.200 176.782 0.418 18812 7865 1 15 . 1 1 89 89 SER CA C 89 61.700 61.700 62.071 -0.371 18812 7866 1 15 . 1 1 89 89 SER CB C 89 62.700 62.700 63.018 -0.318 18812 7867 1 15 . 1 1 89 89 SER H H 89 7.970 7.970 8.129 -0.159 18812 7868 1 15 . 1 1 90 90 ARG N N 90 123.100 123.100 121.561 1.539 18812 7869 1 15 . 1 1 90 90 ARG HA H 90 4.110 4.110 4.076 0.034 18812 7870 1 15 . 1 1 90 90 ARG CA C 90 59.900 59.900 58.873 1.027 18812 7871 1 15 . 1 1 90 90 ARG CB C 90 31.700 31.700 29.668 2.032 18812 7872 1 15 . 1 1 90 90 ARG H H 90 8.450 8.450 7.983 0.467 18812 7873 1 15 . 1 1 91 91 VAL N N 91 119.200 119.200 120.010 -0.810 18812 7874 1 15 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.638 -0.208 18812 7875 1 15 . 1 1 91 91 VAL C C 91 177.300 177.300 177.866 -0.566 18812 7876 1 15 . 1 1 91 91 VAL CA C 91 66.800 66.800 67.341 -0.541 18812 7877 1 15 . 1 1 91 91 VAL CB C 91 31.700 31.700 31.552 0.148 18812 7878 1 15 . 1 1 91 91 VAL H H 91 8.140 8.140 8.268 -0.128 18812 7879 1 15 . 1 1 92 92 ALA N N 92 121.100 121.100 121.316 -0.216 18812 7880 1 15 . 1 1 92 92 ALA HA H 92 3.960 3.960 4.001 -0.041 18812 7881 1 15 . 1 1 92 92 ALA C C 92 179.200 179.200 179.813 -0.613 18812 7882 1 15 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.488 0.412 18812 7883 1 15 . 1 1 92 92 ALA CB C 92 18.400 18.400 17.938 0.462 18812 7884 1 15 . 1 1 92 92 ALA H H 92 9.020 9.020 8.500 0.520 18812 7885 1 15 . 1 1 93 93 SER N N 93 112.100 112.100 115.042 -2.942 18812 7886 1 15 . 1 1 93 93 SER HA H 93 4.240 4.240 4.212 0.028 18812 7887 1 15 . 1 1 93 93 SER C C 93 177.300 177.300 176.962 0.338 18812 7888 1 15 . 1 1 93 93 SER CA C 93 62.000 62.000 62.170 -0.170 18812 7889 1 15 . 1 1 93 93 SER CB C 93 62.700 62.700 62.655 0.045 18812 7890 1 15 . 1 1 93 93 SER H H 93 8.730 8.730 8.216 0.514 18812 7891 1 15 . 1 1 94 94 ARG N N 94 122.500 122.500 121.688 0.812 18812 7892 1 15 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.170 0.090 18812 7893 1 15 . 1 1 94 94 ARG C C 94 179.900 179.900 179.035 0.865 18812 7894 1 15 . 1 1 94 94 ARG CA C 94 57.800 57.800 58.097 -0.297 18812 7895 1 15 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.580 -0.380 18812 7896 1 15 . 1 1 94 94 ARG H H 94 7.520 7.520 8.101 -0.581 18812 7897 1 15 . 1 1 95 95 LEU N N 95 121.500 121.500 119.208 2.292 18812 7898 1 15 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.338 -0.098 18812 7899 1 15 . 1 1 95 95 LEU C C 95 179.000 179.000 178.860 0.140 18812 7900 1 15 . 1 1 95 95 LEU CA C 95 58.100 58.100 58.151 -0.052 18812 7901 1 15 . 1 1 95 95 LEU CB C 95 41.800 41.800 41.254 0.546 18812 7902 1 15 . 1 1 95 95 LEU H H 95 8.350 8.350 8.494 -0.144 18812 7903 1 15 . 1 1 96 96 ALA N N 96 121.900 121.900 119.909 1.991 18812 7904 1 15 . 1 1 96 96 ALA HA H 96 4.320 4.320 4.199 0.121 18812 7905 1 15 . 1 1 96 96 ALA C C 96 182.200 182.200 179.980 2.220 18812 7906 1 15 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.461 0.639 18812 7907 1 15 . 1 1 96 96 ALA CB C 96 18.000 18.000 18.733 -0.733 18812 7908 1 15 . 1 1 96 96 ALA H H 96 8.740 8.740 8.091 0.649 18812 7909 1 15 . 1 1 97 97 ALA N N 97 121.400 121.400 120.071 1.329 18812 7910 1 15 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.313 -0.083 18812 7911 1 15 . 1 1 97 97 ALA C C 97 179.200 179.200 179.313 -0.113 18812 7912 1 15 . 1 1 97 97 ALA CA C 97 54.600 54.600 53.374 1.226 18812 7913 1 15 . 1 1 97 97 ALA CB C 97 18.000 18.000 18.752 -0.752 18812 7914 1 15 . 1 1 97 97 ALA H H 97 8.190 8.190 8.376 -0.186 18812 7915 1 15 . 1 1 98 98 GLY N N 98 103.500 103.500 105.116 -1.616 18812 7916 1 15 . 1 1 98 98 GLY C C 98 173.700 173.700 174.817 -1.117 18812 7917 1 15 . 1 1 98 98 GLY CA C 98 44.800 44.800 44.814 -0.014 18812 7918 1 15 . 1 1 98 98 GLY H H 98 7.710 7.710 7.825 -0.115 18812 7919 1 15 . 1 1 99 99 GLY N N 99 107.600 107.600 109.199 -1.599 18812 7920 1 15 . 1 1 99 99 GLY CA C 99 45.200 45.200 44.940 0.260 18812 7921 1 15 . 1 1 99 99 GLY H H 99 7.710 7.710 7.269 0.441 18812 7922 1 15 . 1 1 100 100 TRP N N 100 123.600 123.600 122.850 0.750 18812 7923 1 15 . 1 1 100 100 TRP CB C 100 52.300 52.300 28.021 24.279 18812 7924 1 15 . 1 1 100 100 TRP H H 100 7.820 7.820 8.039 -0.219 18812 7925 1 15 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.193 -0.263 18812 7926 1 15 . 1 1 101 101 PRO C C 101 175.600 175.600 175.636 -0.036 18812 7927 1 15 . 1 1 101 101 PRO CA C 101 62.600 62.600 63.987 -1.387 18812 7928 1 15 . 1 1 101 101 PRO CB C 101 34.200 34.200 30.262 3.938 18812 7929 1 15 . 1 1 102 102 LEU N N 102 122.800 122.800 120.953 1.847 18812 7930 1 15 . 1 1 102 102 LEU H H 102 8.470 8.470 7.710 0.760 18812 7931 1 15 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.322 0.338 18812 7932 1 15 . 1 1 103 103 ALA C C 103 177.100 177.100 177.233 -0.133 18812 7933 1 15 . 1 1 103 103 ALA CA C 103 51.500 51.500 52.435 -0.935 18812 7934 1 15 . 1 1 103 103 ALA CB C 103 21.700 21.700 17.835 3.865 18812 7935 1 15 . 1 1 104 104 GLY N N 104 108.500 108.500 110.494 -1.994 18812 7936 1 15 . 1 1 104 104 GLY C C 104 173.900 173.900 173.267 0.633 18812 7937 1 15 . 1 1 104 104 GLY CA C 104 45.900 45.900 45.394 0.506 18812 7938 1 15 . 1 1 104 104 GLY H H 104 8.700 8.700 8.176 0.524 18812 7939 1 15 . 1 1 105 105 VAL N N 105 116.700 116.700 120.842 -4.142 18812 7940 1 15 . 1 1 105 105 VAL HA H 105 4.220 4.220 4.261 -0.041 18812 7941 1 15 . 1 1 105 105 VAL C C 105 174.700 174.700 174.310 0.390 18812 7942 1 15 . 1 1 105 105 VAL CA C 105 61.000 61.000 61.849 -0.849 18812 7943 1 15 . 1 1 105 105 VAL CB C 105 33.100 33.100 33.540 -0.440 18812 7944 1 15 . 1 1 105 105 VAL H H 105 7.660 7.660 7.785 -0.125 18812 7945 1 15 . 1 1 106 106 ASP N N 106 125.100 125.100 125.985 -0.885 18812 7946 1 15 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.927 -0.257 18812 7947 1 15 . 1 1 106 106 ASP C C 106 176.500 176.500 175.203 1.297 18812 7948 1 15 . 1 1 106 106 ASP CA C 106 54.000 54.000 53.125 0.875 18812 7949 1 15 . 1 1 106 106 ASP CB C 106 41.300 41.300 42.684 -1.384 18812 7950 1 15 . 1 1 106 106 ASP H H 106 8.600 8.600 8.131 0.469 18812 7951 1 15 . 1 1 107 107 SER N N 107 117.400 117.400 115.114 2.286 18812 7952 1 15 . 1 1 107 107 SER HA H 107 4.320 4.320 4.583 -0.263 18812 7953 1 15 . 1 1 107 107 SER C C 107 175.400 175.400 174.239 1.161 18812 7954 1 15 . 1 1 107 107 SER CA C 107 59.500 59.500 58.434 1.066 18812 7955 1 15 . 1 1 107 107 SER CB C 107 63.200 63.200 63.983 -0.782 18812 7956 1 15 . 1 1 107 107 SER H H 107 8.560 8.560 8.479 0.081 18812 7957 1 15 . 1 1 108 108 THR N N 108 115.100 115.100 115.818 -0.718 18812 7958 1 15 . 1 1 108 108 THR HA H 108 4.260 4.260 4.367 -0.107 18812 7959 1 15 . 1 1 108 108 THR C C 108 174.800 174.800 175.723 -0.923 18812 7960 1 15 . 1 1 108 108 THR CA C 108 63.000 63.000 62.891 0.109 18812 7961 1 15 . 1 1 108 108 THR CB C 108 69.300 69.300 69.557 -0.257 18812 7962 1 15 . 1 1 108 108 THR H H 108 8.230 8.230 7.647 0.583 18812 7963 1 15 . 1 1 109 109 ALA N N 109 125.000 125.000 123.948 1.052 18812 7964 1 15 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.335 0.025 18812 7965 1 15 . 1 1 109 109 ALA C C 109 177.500 177.500 176.964 0.536 18812 7966 1 15 . 1 1 109 109 ALA CA C 109 52.500 52.500 53.506 -1.006 18812 7967 1 15 . 1 1 109 109 ALA CB C 109 19.100 19.100 19.219 -0.119 18812 7968 1 15 . 1 1 109 109 ALA H H 109 8.020 8.020 8.225 -0.205 18812 7969 1 15 . 1 1 110 110 LEU N N 110 119.400 119.400 119.295 0.105 18812 7970 1 15 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.463 -0.113 18812 7971 1 15 . 1 1 110 110 LEU C C 110 176.800 176.800 174.943 1.857 18812 7972 1 15 . 1 1 110 110 LEU CA C 110 55.000 55.000 54.651 0.349 18812 7973 1 15 . 1 1 110 110 LEU CB C 110 42.000 42.000 42.104 -0.104 18812 7974 1 15 . 1 1 110 110 LEU H H 110 7.880 7.880 7.598 0.282 18812 7975 1 15 . 1 1 111 111 ASN N N 111 118.700 118.700 119.757 -1.057 18812 7976 1 15 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.787 -0.057 18812 7977 1 15 . 1 1 111 111 ASN C C 111 173.600 173.600 173.931 -0.331 18812 7978 1 15 . 1 1 111 111 ASN CA C 111 52.900 52.900 52.807 0.093 18812 7979 1 15 . 1 1 111 111 ASN CB C 111 39.000 39.000 39.738 -0.738 18812 7980 1 15 . 1 1 111 111 ASN H H 111 8.230 8.230 8.414 -0.184 18812 7981 1 16 . 1 1 10 10 GLY C C 10 174.100 174.100 172.808 1.292 18812 7982 1 16 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.931 0.369 18812 7983 1 16 . 1 1 10 10 GLY H H 10 8.500 8.500 8.235 0.265 18812 7984 1 16 . 1 1 11 11 THR N N 11 113.700 113.700 117.439 -3.739 18812 7985 1 16 . 1 1 11 11 THR HA H 11 4.350 4.350 4.308 0.042 18812 7986 1 16 . 1 1 11 11 THR C C 11 174.700 174.700 175.141 -0.441 18812 7987 1 16 . 1 1 11 11 THR CA C 11 62.000 62.000 61.867 0.133 18812 7988 1 16 . 1 1 11 11 THR CB C 11 69.800 69.800 69.314 0.486 18812 7989 1 16 . 1 1 11 11 THR H H 11 8.100 8.100 8.251 -0.151 18812 7990 1 16 . 1 1 12 12 LEU N N 12 124.100 124.100 127.588 -3.488 18812 7991 1 16 . 1 1 12 12 LEU C C 12 177.600 177.600 176.581 1.019 18812 7992 1 16 . 1 1 12 12 LEU CA C 12 55.400 55.400 54.813 0.587 18812 7993 1 16 . 1 1 12 12 LEU CB C 12 42.000 42.000 39.624 2.376 18812 7994 1 16 . 1 1 12 12 LEU H H 12 8.380 8.380 8.804 -0.424 18812 7995 1 16 . 1 1 13 13 GLU N N 13 121.500 121.500 125.538 -4.038 18812 7996 1 16 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.550 -0.330 18812 7997 1 16 . 1 1 13 13 GLU C C 13 176.300 176.300 175.467 0.833 18812 7998 1 16 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.926 -0.026 18812 7999 1 16 . 1 1 13 13 GLU CB C 13 29.600 29.600 31.351 -1.751 18812 8000 1 16 . 1 1 13 13 GLU H H 13 8.440 8.440 8.283 0.157 18812 8001 1 16 . 1 1 14 14 ALA N N 14 124.300 124.300 128.370 -4.070 18812 8002 1 16 . 1 1 14 14 ALA CA C 14 52.600 52.600 52.117 0.483 18812 8003 1 16 . 1 1 14 14 ALA CB C 14 19.000 19.000 19.231 -0.231 18812 8004 1 16 . 1 1 14 14 ALA H H 14 8.280 8.280 8.474 -0.194 18812 8005 1 16 . 1 1 15 15 GLN N N 15 118.700 118.700 120.991 -2.291 18812 8006 1 16 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.244 0.156 18812 8007 1 16 . 1 1 15 15 GLN C C 15 176.300 176.300 175.159 1.141 18812 8008 1 16 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.484 0.316 18812 8009 1 16 . 1 1 15 15 GLN CB C 15 29.300 29.300 27.832 1.468 18812 8010 1 16 . 1 1 15 15 GLN H H 15 8.360 8.360 8.187 0.173 18812 8011 1 16 . 1 1 16 16 THR N N 16 114.800 114.800 123.889 -9.089 18812 8012 1 16 . 1 1 16 16 THR C C 16 174.400 174.400 173.540 0.860 18812 8013 1 16 . 1 1 16 16 THR CA C 16 62.000 62.000 62.326 -0.326 18812 8014 1 16 . 1 1 16 16 THR CB C 16 69.700 69.700 68.620 1.080 18812 8015 1 16 . 1 1 16 16 THR H H 16 8.200 8.200 8.164 0.036 18812 8016 1 16 . 1 1 17 17 GLN N N 17 122.200 122.200 126.218 -4.018 18812 8017 1 16 . 1 1 17 17 GLN C C 17 175.900 175.900 175.264 0.636 18812 8018 1 16 . 1 1 17 17 GLN CA C 17 55.500 55.500 54.874 0.626 18812 8019 1 16 . 1 1 17 17 GLN CB C 17 29.600 29.600 31.550 -1.950 18812 8020 1 16 . 1 1 17 17 GLN H H 17 8.430 8.430 8.025 0.405 18812 8021 1 16 . 1 1 18 18 GLY N N 18 110.100 110.100 108.925 1.175 18812 8022 1 16 . 1 1 18 18 GLY CA C 18 44.500 44.500 44.136 0.364 18812 8023 1 16 . 1 1 18 18 GLY H H 18 8.360 8.360 8.492 -0.132 18812 8024 1 16 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.387 0.073 18812 8025 1 16 . 1 1 19 19 PRO C C 19 177.700 177.700 177.485 0.215 18812 8026 1 16 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.539 0.061 18812 8027 1 16 . 1 1 19 19 PRO CB C 19 31.900 31.900 30.953 0.947 18812 8028 1 16 . 1 1 20 20 GLY N N 20 109.600 109.600 113.926 -4.326 18812 8029 1 16 . 1 1 20 20 GLY C C 20 174.100 174.100 174.190 -0.090 18812 8030 1 16 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.670 0.530 18812 8031 1 16 . 1 1 20 20 GLY H H 20 8.630 8.630 8.598 0.032 18812 8032 1 16 . 1 1 21 21 SER N N 21 115.300 115.300 114.351 0.949 18812 8033 1 16 . 1 1 21 21 SER HA H 21 4.460 4.460 4.153 0.307 18812 8034 1 16 . 1 1 21 21 SER C C 21 174.100 174.100 172.590 1.510 18812 8035 1 16 . 1 1 21 21 SER CA C 21 58.300 58.300 58.399 -0.099 18812 8036 1 16 . 1 1 21 21 SER CB C 21 63.900 63.900 62.011 1.889 18812 8037 1 16 . 1 1 21 21 SER H H 21 8.150 8.150 7.939 0.211 18812 8038 1 16 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.612 -0.172 18812 8039 1 16 . 1 1 22 22 PRO C C 22 176.800 176.800 175.856 0.944 18812 8040 1 16 . 1 1 22 22 PRO CA C 22 63.100 63.100 62.251 0.849 18812 8041 1 16 . 1 1 22 22 PRO CB C 22 32.100 32.100 30.920 1.180 18812 8042 1 16 . 1 1 23 23 GLU N N 23 120.900 120.900 124.723 -3.823 18812 8043 1 16 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.095 0.185 18812 8044 1 16 . 1 1 23 23 GLU C C 23 177.000 177.000 177.001 -0.001 18812 8045 1 16 . 1 1 23 23 GLU CA C 23 56.600 56.600 57.465 -0.865 18812 8046 1 16 . 1 1 23 23 GLU CB C 23 30.400 30.400 29.282 1.118 18812 8047 1 16 . 1 1 23 23 GLU H H 23 8.630 8.630 8.172 0.458 18812 8048 1 16 . 1 1 24 24 GLY N N 24 109.800 109.800 111.441 -1.641 18812 8049 1 16 . 1 1 24 24 GLY C C 24 173.600 173.600 174.127 -0.527 18812 8050 1 16 . 1 1 24 24 GLY CA C 24 45.100 45.100 44.781 0.319 18812 8051 1 16 . 1 1 24 24 GLY H H 24 8.450 8.450 8.813 -0.363 18812 8052 1 16 . 1 1 25 25 VAL N N 25 120.600 120.600 119.157 1.443 18812 8053 1 16 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.580 -0.120 18812 8054 1 16 . 1 1 25 25 VAL CA C 25 59.700 59.700 58.796 0.904 18812 8055 1 16 . 1 1 25 25 VAL CB C 25 32.600 32.600 32.463 0.137 18812 8056 1 16 . 1 1 25 25 VAL H H 25 7.990 7.990 7.346 0.644 18812 8057 1 16 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.720 -0.200 18812 8058 1 16 . 1 1 27 27 PRO C C 27 177.200 177.200 176.815 0.385 18812 8059 1 16 . 1 1 27 27 PRO CA C 27 63.100 63.100 62.623 0.477 18812 8060 1 16 . 1 1 27 27 PRO CB C 27 32.000 32.000 31.479 0.521 18812 8061 1 16 . 1 1 28 28 THR N N 28 113.000 113.000 120.810 -7.810 18812 8062 1 16 . 1 1 28 28 THR HA H 28 4.270 4.270 4.056 0.214 18812 8063 1 16 . 1 1 28 28 THR C C 28 174.400 174.400 174.635 -0.235 18812 8064 1 16 . 1 1 28 28 THR CA C 28 62.000 62.000 65.574 -3.574 18812 8065 1 16 . 1 1 28 28 THR CB C 28 69.700 69.700 69.249 0.452 18812 8066 1 16 . 1 1 28 28 THR H H 28 8.160 8.160 8.701 -0.541 18812 8067 1 16 . 1 1 29 29 ASP N N 29 122.100 122.100 118.723 3.377 18812 8068 1 16 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.661 -0.081 18812 8069 1 16 . 1 1 29 29 ASP CA C 29 54.300 54.300 55.764 -1.464 18812 8070 1 16 . 1 1 29 29 ASP CB C 29 40.900 40.900 41.768 -0.868 18812 8071 1 16 . 1 1 29 29 ASP H H 29 8.290 8.290 8.153 0.137 18812 8072 1 16 . 1 1 30 30 ARG N N 30 120.300 120.300 118.945 1.355 18812 8073 1 16 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.332 -0.142 18812 8074 1 16 . 1 1 30 30 ARG C C 30 175.600 175.600 174.510 1.090 18812 8075 1 16 . 1 1 30 30 ARG CA C 30 56.200 56.200 56.308 -0.108 18812 8076 1 16 . 1 1 30 30 ARG CB C 30 30.800 30.800 31.238 -0.438 18812 8077 1 16 . 1 1 30 30 ARG H H 30 8.070 8.070 8.491 -0.421 18812 8078 1 16 . 1 1 31 31 PHE N N 31 120.500 120.500 117.938 2.562 18812 8079 1 16 . 1 1 31 31 PHE CB C 31 38.800 38.800 41.477 -2.677 18812 8080 1 16 . 1 1 31 31 PHE H H 31 8.240 8.240 7.708 0.532 18812 8081 1 16 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.641 -0.201 18812 8082 1 16 . 1 1 32 32 PRO C C 32 177.200 177.200 175.297 1.903 18812 8083 1 16 . 1 1 32 32 PRO CA C 32 63.400 63.400 63.332 0.068 18812 8084 1 16 . 1 1 32 32 PRO CB C 32 31.700 31.700 31.973 -0.273 18812 8085 1 16 . 1 1 33 33 LEU N N 33 121.000 121.000 119.147 1.853 18812 8086 1 16 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.612 -0.282 18812 8087 1 16 . 1 1 33 33 LEU CA C 33 55.600 55.600 53.971 1.629 18812 8088 1 16 . 1 1 33 33 LEU CB C 33 42.100 42.100 43.669 -1.569 18812 8089 1 16 . 1 1 33 33 LEU H H 33 8.290 8.290 7.455 0.835 18812 8090 1 16 . 1 1 34 34 LEU N N 34 122.100 122.100 114.737 7.363 18812 8091 1 16 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.846 -0.536 18812 8092 1 16 . 1 1 34 34 LEU C C 34 177.300 177.300 176.447 0.853 18812 8093 1 16 . 1 1 34 34 LEU CA C 34 55.200 55.200 53.941 1.259 18812 8094 1 16 . 1 1 34 34 LEU CB C 34 41.900 41.900 41.602 0.298 18812 8095 1 16 . 1 1 34 34 LEU H H 34 8.110 8.110 8.356 -0.246 18812 8096 1 16 . 1 1 35 35 ALA N N 35 123.400 123.400 123.974 -0.574 18812 8097 1 16 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.457 -0.177 18812 8098 1 16 . 1 1 35 35 ALA C C 35 177.600 177.600 176.658 0.942 18812 8099 1 16 . 1 1 35 35 ALA CA C 35 52.700 52.700 51.497 1.203 18812 8100 1 16 . 1 1 35 35 ALA CB C 35 18.800 18.800 17.993 0.807 18812 8101 1 16 . 1 1 35 35 ALA H H 35 8.140 8.140 8.207 -0.067 18812 8102 1 16 . 1 1 36 36 LEU N N 36 120.000 120.000 123.978 -3.978 18812 8103 1 16 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.316 -0.056 18812 8104 1 16 . 1 1 36 36 LEU CA C 36 55.500 55.500 55.092 0.409 18812 8105 1 16 . 1 1 36 36 LEU CB C 36 42.000 42.000 40.857 1.143 18812 8106 1 16 . 1 1 36 36 LEU H H 36 7.990 7.990 8.180 -0.190 18812 8107 1 16 . 1 1 37 37 LEU N N 37 122.700 122.700 125.386 -2.686 18812 8108 1 16 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.383 -0.003 18812 8109 1 16 . 1 1 37 37 LEU C C 37 177.100 177.100 176.316 0.784 18812 8110 1 16 . 1 1 37 37 LEU CA C 37 55.000 55.000 54.699 0.301 18812 8111 1 16 . 1 1 37 37 LEU CB C 37 42.100 42.100 41.755 0.345 18812 8112 1 16 . 1 1 37 37 LEU H H 37 8.190 8.190 8.364 -0.174 18812 8113 1 16 . 1 1 38 38 ARG N N 38 121.600 121.600 119.193 2.407 18812 8114 1 16 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.572 -0.102 18812 8115 1 16 . 1 1 38 38 ARG C C 38 176.200 176.200 174.931 1.269 18812 8116 1 16 . 1 1 38 38 ARG CA C 38 55.100 55.100 55.206 -0.106 18812 8117 1 16 . 1 1 38 38 ARG CB C 38 31.200 31.200 32.108 -0.908 18812 8118 1 16 . 1 1 38 38 ARG H H 38 8.040 8.040 7.431 0.609 18812 8119 1 16 . 1 1 39 39 ARG N N 39 123.600 123.600 119.858 3.742 18812 8120 1 16 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.448 -0.078 18812 8121 1 16 . 1 1 39 39 ARG C C 39 175.500 175.500 176.391 -0.891 18812 8122 1 16 . 1 1 39 39 ARG CA C 39 56.700 56.700 57.585 -0.885 18812 8123 1 16 . 1 1 39 39 ARG CB C 39 31.200 31.200 30.785 0.415 18812 8124 1 16 . 1 1 39 39 ARG H H 39 8.840 8.840 8.699 0.141 18812 8125 1 16 . 1 1 40 40 THR N N 40 113.900 113.900 113.697 0.203 18812 8126 1 16 . 1 1 40 40 THR HA H 40 4.770 4.770 4.271 0.499 18812 8127 1 16 . 1 1 40 40 THR C C 40 175.300 175.300 173.966 1.334 18812 8128 1 16 . 1 1 40 40 THR CA C 40 59.500 59.500 61.408 -1.908 18812 8129 1 16 . 1 1 40 40 THR CB C 40 71.700 71.700 69.211 2.489 18812 8130 1 16 . 1 1 40 40 THR H H 40 8.150 8.150 7.881 0.269 18812 8131 1 16 . 1 1 41 41 LEU N N 41 123.100 123.100 128.257 -5.157 18812 8132 1 16 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.249 0.221 18812 8133 1 16 . 1 1 41 41 LEU C C 41 179.700 179.700 177.246 2.454 18812 8134 1 16 . 1 1 41 41 LEU CA C 41 54.900 54.900 54.838 0.062 18812 8135 1 16 . 1 1 41 41 LEU CB C 41 43.000 43.000 40.364 2.636 18812 8136 1 16 . 1 1 41 41 LEU H H 41 9.480 9.480 8.748 0.732 18812 8137 1 16 . 1 1 42 42 THR N N 42 115.100 115.100 119.201 -4.101 18812 8138 1 16 . 1 1 42 42 THR HA H 42 4.580 4.580 4.251 0.329 18812 8139 1 16 . 1 1 42 42 THR C C 42 175.400 175.400 175.791 -0.391 18812 8140 1 16 . 1 1 42 42 THR CA C 42 60.900 60.900 60.904 -0.004 18812 8141 1 16 . 1 1 42 42 THR CB C 42 70.600 70.600 70.753 -0.153 18812 8142 1 16 . 1 1 42 42 THR H H 42 8.790 8.790 7.808 0.982 18812 8143 1 16 . 1 1 43 43 GLU N N 43 121.400 121.400 122.686 -1.286 18812 8144 1 16 . 1 1 43 43 GLU HA H 43 4.020 4.020 3.997 0.023 18812 8145 1 16 . 1 1 43 43 GLU C C 43 179.100 179.100 178.283 0.817 18812 8146 1 16 . 1 1 43 43 GLU CA C 43 59.700 59.700 59.905 -0.205 18812 8147 1 16 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.600 -0.700 18812 8148 1 16 . 1 1 43 43 GLU H H 43 9.020 9.020 9.022 -0.002 18812 8149 1 16 . 1 1 44 44 GLU N N 44 118.300 118.300 118.775 -0.475 18812 8150 1 16 . 1 1 44 44 GLU HA H 44 4.020 4.020 4.037 -0.017 18812 8151 1 16 . 1 1 44 44 GLU C C 44 179.700 179.700 178.947 0.753 18812 8152 1 16 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.826 0.374 18812 8153 1 16 . 1 1 44 44 GLU CB C 44 29.000 29.000 29.255 -0.255 18812 8154 1 16 . 1 1 44 44 GLU H H 44 8.810 8.810 8.026 0.784 18812 8155 1 16 . 1 1 45 45 GLN N N 45 119.300 119.300 117.950 1.350 18812 8156 1 16 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.091 0.129 18812 8157 1 16 . 1 1 45 45 GLN C C 45 178.500 178.500 178.692 -0.192 18812 8158 1 16 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.734 -0.434 18812 8159 1 16 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.125 1.075 18812 8160 1 16 . 1 1 45 45 GLN H H 45 7.800 7.800 7.698 0.102 18812 8161 1 16 . 1 1 46 46 VAL N N 46 121.000 121.000 120.832 0.168 18812 8162 1 16 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.655 -0.255 18812 8163 1 16 . 1 1 46 46 VAL C C 46 177.500 177.500 178.327 -0.827 18812 8164 1 16 . 1 1 46 46 VAL CA C 46 67.600 67.600 66.502 1.097 18812 8165 1 16 . 1 1 46 46 VAL CB C 46 31.300 31.300 30.917 0.383 18812 8166 1 16 . 1 1 46 46 VAL H H 46 8.420 8.420 8.590 -0.170 18812 8167 1 16 . 1 1 47 47 GLN N N 47 115.900 115.900 117.745 -1.845 18812 8168 1 16 . 1 1 47 47 GLN HA H 47 3.890 3.890 3.950 -0.060 18812 8169 1 16 . 1 1 47 47 GLN C C 47 178.500 178.500 178.401 0.099 18812 8170 1 16 . 1 1 47 47 GLN CA C 47 58.800 58.800 59.146 -0.346 18812 8171 1 16 . 1 1 47 47 GLN CB C 47 27.700 27.700 28.346 -0.646 18812 8172 1 16 . 1 1 47 47 GLN H H 47 7.470 7.470 8.324 -0.854 18812 8173 1 16 . 1 1 48 48 GLU N N 48 121.400 121.400 121.147 0.253 18812 8174 1 16 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.035 0.085 18812 8175 1 16 . 1 1 48 48 GLU C C 48 178.500 178.500 178.899 -0.399 18812 8176 1 16 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.794 -0.494 18812 8177 1 16 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.509 0.291 18812 8178 1 16 . 1 1 48 48 GLU H H 48 7.940 7.940 8.163 -0.223 18812 8179 1 16 . 1 1 49 49 VAL N N 49 120.300 120.300 119.731 0.569 18812 8180 1 16 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.636 -0.046 18812 8181 1 16 . 1 1 49 49 VAL CA C 49 67.200 67.200 66.102 1.098 18812 8182 1 16 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.049 0.451 18812 8183 1 16 . 1 1 49 49 VAL H H 49 8.580 8.580 8.183 0.397 18812 8184 1 16 . 1 1 50 50 VAL N N 50 118.700 118.700 120.600 -1.900 18812 8185 1 16 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.573 -0.353 18812 8186 1 16 . 1 1 50 50 VAL C C 50 178.600 178.600 177.748 0.852 18812 8187 1 16 . 1 1 50 50 VAL CA C 50 67.500 67.500 67.004 0.496 18812 8188 1 16 . 1 1 50 50 VAL CB C 50 31.400 31.400 30.752 0.648 18812 8189 1 16 . 1 1 50 50 VAL H H 50 8.350 8.350 8.085 0.265 18812 8190 1 16 . 1 1 51 51 ALA N N 51 123.200 123.200 122.272 0.928 18812 8191 1 16 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.066 -0.236 18812 8192 1 16 . 1 1 51 51 ALA C C 51 180.100 180.100 179.603 0.497 18812 8193 1 16 . 1 1 51 51 ALA CA C 51 55.300 55.300 54.942 0.358 18812 8194 1 16 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.424 -0.723 18812 8195 1 16 . 1 1 51 51 ALA H H 51 8.320 8.320 8.301 0.019 18812 8196 1 16 . 1 1 52 52 LYS N N 52 117.200 117.200 119.371 -2.171 18812 8197 1 16 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.021 0.099 18812 8198 1 16 . 1 1 52 52 LYS C C 52 180.200 180.200 179.109 1.091 18812 8199 1 16 . 1 1 52 52 LYS CA C 52 59.200 59.200 58.289 0.911 18812 8200 1 16 . 1 1 52 52 LYS CB C 52 32.700 32.700 31.947 0.753 18812 8201 1 16 . 1 1 52 52 LYS H H 52 8.170 8.170 7.862 0.308 18812 8202 1 16 . 1 1 53 53 LEU N N 53 118.600 118.600 119.128 -0.528 18812 8203 1 16 . 1 1 53 53 LEU HA H 53 3.390 3.390 3.868 -0.478 18812 8204 1 16 . 1 1 53 53 LEU C C 53 176.300 176.300 178.277 -1.977 18812 8205 1 16 . 1 1 53 53 LEU CA C 53 56.300 56.300 57.350 -1.050 18812 8206 1 16 . 1 1 53 53 LEU CB C 53 44.300 44.300 41.753 2.547 18812 8207 1 16 . 1 1 53 53 LEU H H 53 8.170 8.170 8.233 -0.063 18812 8208 1 16 . 1 1 54 54 THR N N 54 103.000 103.000 108.312 -5.312 18812 8209 1 16 . 1 1 54 54 THR HA H 54 3.490 3.490 4.133 -0.643 18812 8210 1 16 . 1 1 54 54 THR C C 54 173.600 173.600 174.522 -0.922 18812 8211 1 16 . 1 1 54 54 THR CA C 54 60.800 60.800 63.442 -2.642 18812 8212 1 16 . 1 1 54 54 THR CB C 54 69.700 69.700 68.608 1.092 18812 8213 1 16 . 1 1 54 54 THR H H 54 6.990 6.990 7.650 -0.660 18812 8214 1 16 . 1 1 55 55 ASP N N 55 126.400 126.400 123.997 2.403 18812 8215 1 16 . 1 1 55 55 ASP HA H 55 4.630 4.630 4.946 -0.316 18812 8216 1 16 . 1 1 55 55 ASP CA C 55 52.600 52.600 51.068 1.532 18812 8217 1 16 . 1 1 55 55 ASP CB C 55 42.200 42.200 42.656 -0.456 18812 8218 1 16 . 1 1 55 55 ASP H H 55 6.900 6.900 7.675 -0.775 18812 8219 1 16 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.327 0.013 18812 8220 1 16 . 1 1 56 56 PRO C C 56 178.500 178.500 178.786 -0.286 18812 8221 1 16 . 1 1 56 56 PRO CA C 56 65.100 65.100 65.086 0.014 18812 8222 1 16 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.515 -0.415 18812 8223 1 16 . 1 1 57 57 GLU N N 57 115.700 115.700 118.748 -3.048 18812 8224 1 16 . 1 1 57 57 GLU C C 57 176.300 176.300 178.944 -2.644 18812 8225 1 16 . 1 1 57 57 GLU CA C 57 59.600 59.600 58.693 0.907 18812 8226 1 16 . 1 1 57 57 GLU CB C 57 29.400 29.400 29.451 -0.051 18812 8227 1 16 . 1 1 57 57 GLU H H 57 8.640 8.640 7.947 0.693 18812 8228 1 16 . 1 1 58 58 SER N N 58 115.000 115.000 115.574 -0.574 18812 8229 1 16 . 1 1 58 58 SER HA H 58 4.260 4.260 4.226 0.034 18812 8230 1 16 . 1 1 58 58 SER C C 58 177.400 177.400 177.068 0.332 18812 8231 1 16 . 1 1 58 58 SER CA C 58 62.900 62.900 62.022 0.878 18812 8232 1 16 . 1 1 58 58 SER CB C 58 69.300 69.300 63.048 6.252 18812 8233 1 16 . 1 1 58 58 SER H H 58 8.180 8.180 8.632 -0.452 18812 8234 1 16 . 1 1 60 60 ALA N N 60 123.000 123.000 124.775 -1.775 18812 8235 1 16 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.133 0.497 18812 8236 1 16 . 1 1 60 60 ALA C C 60 180.600 180.600 179.069 1.531 18812 8237 1 16 . 1 1 60 60 ALA CA C 60 53.600 53.600 54.465 -0.865 18812 8238 1 16 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.249 0.951 18812 8239 1 16 . 1 1 60 60 ALA H H 60 8.020 8.020 7.712 0.308 18812 8240 1 16 . 1 1 61 61 GLN N N 61 114.000 114.000 116.577 -2.577 18812 8241 1 16 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.116 -0.096 18812 8242 1 16 . 1 1 61 61 GLN C C 61 176.900 176.900 177.684 -0.784 18812 8243 1 16 . 1 1 61 61 GLN CA C 61 54.900 54.900 57.436 -2.536 18812 8244 1 16 . 1 1 61 61 GLN CB C 61 28.500 28.500 28.262 0.238 18812 8245 1 16 . 1 1 61 61 GLN H H 61 7.500 7.500 7.809 -0.309 18812 8246 1 16 . 1 1 62 62 ILE N N 62 123.900 123.900 118.020 5.880 18812 8247 1 16 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.826 -0.046 18812 8248 1 16 . 1 1 62 62 ILE C C 62 176.800 176.800 177.522 -0.722 18812 8249 1 16 . 1 1 62 62 ILE CA C 62 65.900 65.900 63.267 2.633 18812 8250 1 16 . 1 1 62 62 ILE CB C 62 37.700 37.700 37.310 0.390 18812 8251 1 16 . 1 1 62 62 ILE H H 62 7.240 7.240 7.467 -0.227 18812 8252 1 16 . 1 1 63 63 ASP N N 63 114.100 114.100 116.915 -2.815 18812 8253 1 16 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.744 0.066 18812 8254 1 16 . 1 1 63 63 ASP C C 63 177.500 177.500 176.626 0.874 18812 8255 1 16 . 1 1 63 63 ASP CA C 63 51.700 51.700 54.176 -2.476 18812 8256 1 16 . 1 1 63 63 ASP CB C 63 40.300 40.300 43.179 -2.879 18812 8257 1 16 . 1 1 63 63 ASP H H 63 7.860 7.860 7.772 0.088 18812 8258 1 16 . 1 1 64 64 GLY N N 64 104.800 104.800 107.362 -2.562 18812 8259 1 16 . 1 1 64 64 GLY C C 64 173.400 173.400 174.079 -0.679 18812 8260 1 16 . 1 1 64 64 GLY CA C 64 45.900 45.900 46.126 -0.226 18812 8261 1 16 . 1 1 64 64 GLY H H 64 7.860 7.860 8.085 -0.225 18812 8262 1 16 . 1 1 65 65 VAL N N 65 117.700 117.700 120.355 -2.655 18812 8263 1 16 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.260 0.240 18812 8264 1 16 . 1 1 65 65 VAL C C 65 173.300 173.300 174.748 -1.448 18812 8265 1 16 . 1 1 65 65 VAL CA C 65 60.100 60.100 61.243 -1.143 18812 8266 1 16 . 1 1 65 65 VAL CB C 65 36.100 36.100 35.509 0.591 18812 8267 1 16 . 1 1 65 65 VAL H H 65 7.550 7.550 7.445 0.105 18812 8268 1 16 . 1 1 66 66 VAL N N 66 129.500 129.500 126.714 2.786 18812 8269 1 16 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.189 0.541 18812 8270 1 16 . 1 1 66 66 VAL C C 66 174.300 174.300 175.145 -0.845 18812 8271 1 16 . 1 1 66 66 VAL CA C 66 61.500 61.500 62.618 -1.118 18812 8272 1 16 . 1 1 66 66 VAL CB C 66 31.800 31.800 31.921 -0.121 18812 8273 1 16 . 1 1 66 66 VAL H H 66 8.540 8.540 8.255 0.285 18812 8274 1 16 . 1 1 67 67 SER N N 67 123.500 123.500 123.478 0.022 18812 8275 1 16 . 1 1 67 67 SER HA H 67 5.510 5.510 4.840 0.670 18812 8276 1 16 . 1 1 67 67 SER CA C 67 55.700 55.700 57.236 -1.536 18812 8277 1 16 . 1 1 67 67 SER CB C 67 66.100 66.100 65.923 0.177 18812 8278 1 16 . 1 1 67 67 SER H H 67 9.370 9.370 8.206 1.164 18812 8279 1 16 . 1 1 68 68 LYS C C 68 177.100 177.100 177.799 -0.699 18812 8280 1 16 . 1 1 69 69 ASP N N 69 114.800 114.800 120.491 -5.691 18812 8281 1 16 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.579 -0.129 18812 8282 1 16 . 1 1 69 69 ASP C C 69 178.800 178.800 177.934 0.866 18812 8283 1 16 . 1 1 69 69 ASP CA C 69 56.900 56.900 56.806 0.094 18812 8284 1 16 . 1 1 69 69 ASP CB C 69 40.400 40.400 40.525 -0.125 18812 8285 1 16 . 1 1 69 69 ASP H H 69 8.420 8.420 8.534 -0.114 18812 8286 1 16 . 1 1 70 70 GLU N N 70 120.300 120.300 119.152 1.148 18812 8287 1 16 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.005 0.145 18812 8288 1 16 . 1 1 70 70 GLU C C 70 178.000 178.000 178.856 -0.856 18812 8289 1 16 . 1 1 70 70 GLU CA C 70 59.200 59.200 59.301 -0.101 18812 8290 1 16 . 1 1 70 70 GLU CB C 70 28.600 28.600 29.343 -0.743 18812 8291 1 16 . 1 1 70 70 GLU H H 70 7.600 7.600 8.190 -0.590 18812 8292 1 16 . 1 1 71 71 ILE N N 71 119.100 119.100 121.267 -2.167 18812 8293 1 16 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.770 -0.340 18812 8294 1 16 . 1 1 71 71 ILE C C 71 177.300 177.300 178.202 -0.902 18812 8295 1 16 . 1 1 71 71 ILE CA C 71 67.300 67.300 65.297 2.002 18812 8296 1 16 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.888 -0.088 18812 8297 1 16 . 1 1 71 71 ILE H H 71 8.050 8.050 7.531 0.519 18812 8298 1 16 . 1 1 72 72 GLU N N 72 116.200 116.200 119.439 -3.239 18812 8299 1 16 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.942 -0.292 18812 8300 1 16 . 1 1 72 72 GLU C C 72 178.000 178.000 179.032 -1.032 18812 8301 1 16 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.550 1.450 18812 8302 1 16 . 1 1 72 72 GLU CB C 72 30.200 30.200 29.083 1.117 18812 8303 1 16 . 1 1 72 72 GLU H H 72 8.460 8.460 7.939 0.521 18812 8304 1 16 . 1 1 73 73 LYS N N 73 118.600 118.600 120.206 -1.606 18812 8305 1 16 . 1 1 73 73 LYS C C 73 179.000 179.000 178.941 0.059 18812 8306 1 16 . 1 1 73 73 LYS CA C 73 59.400 59.400 58.568 0.832 18812 8307 1 16 . 1 1 73 73 LYS CB C 73 32.600 32.600 31.936 0.664 18812 8308 1 16 . 1 1 73 73 LYS H H 73 8.020 8.020 8.267 -0.247 18812 8309 1 16 . 1 1 74 74 PHE N N 74 118.500 118.500 118.886 -0.386 18812 8310 1 16 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.238 0.082 18812 8311 1 16 . 1 1 74 74 PHE C C 74 179.400 179.400 178.322 1.078 18812 8312 1 16 . 1 1 74 74 PHE CA C 74 61.300 61.300 61.763 -0.463 18812 8313 1 16 . 1 1 74 74 PHE CB C 74 38.300 38.300 38.852 -0.552 18812 8314 1 16 . 1 1 74 74 PHE H H 74 8.870 8.870 8.069 0.801 18812 8315 1 16 . 1 1 75 75 ILE N N 75 119.000 119.000 119.812 -0.812 18812 8316 1 16 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.563 0.207 18812 8317 1 16 . 1 1 75 75 ILE C C 75 177.900 177.900 178.493 -0.593 18812 8318 1 16 . 1 1 75 75 ILE CA C 75 66.800 66.800 65.417 1.383 18812 8319 1 16 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.621 0.879 18812 8320 1 16 . 1 1 75 75 ILE H H 75 8.570 8.570 8.363 0.207 18812 8321 1 16 . 1 1 76 76 ALA N N 76 122.200 122.200 121.325 0.875 18812 8322 1 16 . 1 1 76 76 ALA HA H 76 4.570 4.570 3.988 0.582 18812 8323 1 16 . 1 1 76 76 ALA C C 76 181.000 181.000 179.325 1.675 18812 8324 1 16 . 1 1 76 76 ALA CA C 76 54.600 54.600 54.934 -0.334 18812 8325 1 16 . 1 1 76 76 ALA CB C 76 18.400 18.400 17.934 0.466 18812 8326 1 16 . 1 1 76 76 ALA H H 76 8.230 8.230 8.186 0.044 18812 8327 1 16 . 1 1 77 77 ASP N N 77 117.200 117.200 117.933 -0.733 18812 8328 1 16 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.453 -0.013 18812 8329 1 16 . 1 1 77 77 ASP C C 77 177.200 177.200 177.226 -0.026 18812 8330 1 16 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.249 0.451 18812 8331 1 16 . 1 1 77 77 ASP CB C 77 41.100 41.100 41.287 -0.187 18812 8332 1 16 . 1 1 77 77 ASP H H 77 7.900 7.900 7.757 0.143 18812 8333 1 16 . 1 1 78 78 VAL N N 78 118.100 118.100 118.484 -0.384 18812 8334 1 16 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.088 -0.118 18812 8335 1 16 . 1 1 78 78 VAL C C 78 177.800 177.800 174.736 3.064 18812 8336 1 16 . 1 1 78 78 VAL CA C 78 64.800 64.800 62.407 2.393 18812 8337 1 16 . 1 1 78 78 VAL CB C 78 32.700 32.700 30.894 1.806 18812 8338 1 16 . 1 1 78 78 VAL H H 78 7.730 7.730 7.513 0.217 18812 8339 1 16 . 1 1 79 79 THR N N 79 109.800 109.800 110.143 -0.343 18812 8340 1 16 . 1 1 79 79 THR HA H 79 4.100 4.100 3.942 0.158 18812 8341 1 16 . 1 1 79 79 THR C C 79 175.700 175.700 174.487 1.213 18812 8342 1 16 . 1 1 79 79 THR CA C 79 69.400 69.400 64.050 5.350 18812 8343 1 16 . 1 1 79 79 THR CB C 79 63.100 63.100 67.633 -4.534 18812 8344 1 16 . 1 1 79 79 THR H H 79 8.830 8.830 7.364 1.466 18812 8345 1 16 . 1 1 80 80 LYS N N 80 115.700 115.700 120.510 -4.810 18812 8346 1 16 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.265 -0.255 18812 8347 1 16 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.517 -1.817 18812 8348 1 16 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.829 -4.429 18812 8349 1 16 . 1 1 80 80 LYS H H 80 8.440 8.440 7.497 0.943 18812 8350 1 16 . 1 1 81 81 ASP N N 81 119.600 119.600 116.721 2.879 18812 8351 1 16 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.356 0.494 18812 8352 1 16 . 1 1 81 81 ASP C C 81 174.400 174.400 175.350 -0.950 18812 8353 1 16 . 1 1 81 81 ASP CA C 81 51.200 51.200 56.756 -5.556 18812 8354 1 16 . 1 1 81 81 ASP CB C 81 44.400 44.400 40.306 4.094 18812 8355 1 16 . 1 1 81 81 ASP H H 81 8.140 8.140 8.248 -0.108 18812 8356 1 16 . 1 1 82 82 GLU N N 82 120.500 120.500 120.258 0.242 18812 8357 1 16 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.802 -0.352 18812 8358 1 16 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.655 0.545 18812 8359 1 16 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.682 -0.782 18812 8360 1 16 . 1 1 82 82 GLU H H 82 8.810 8.810 8.021 0.789 18812 8361 1 16 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.842 -0.192 18812 8362 1 16 . 1 1 83 83 PRO C C 83 176.900 176.900 176.304 0.596 18812 8363 1 16 . 1 1 83 83 PRO CA C 83 62.400 62.400 62.313 0.087 18812 8364 1 16 . 1 1 83 83 PRO CB C 83 32.600 32.600 30.844 1.756 18812 8365 1 16 . 1 1 84 84 THR N N 84 115.300 115.300 117.616 -2.316 18812 8366 1 16 . 1 1 84 84 THR HA H 84 4.590 4.590 4.412 0.178 18812 8367 1 16 . 1 1 84 84 THR C C 84 175.000 175.000 175.632 -0.632 18812 8368 1 16 . 1 1 84 84 THR CA C 84 59.800 59.800 59.728 0.072 18812 8369 1 16 . 1 1 84 84 THR CB C 84 71.700 71.700 71.129 0.571 18812 8370 1 16 . 1 1 84 84 THR H H 84 9.550 9.550 8.569 0.981 18812 8371 1 16 . 1 1 85 85 ALA N N 85 124.400 124.400 126.819 -2.419 18812 8372 1 16 . 1 1 85 85 ALA HA H 85 4.060 4.060 4.063 -0.003 18812 8373 1 16 . 1 1 85 85 ALA C C 85 180.900 180.900 179.516 1.384 18812 8374 1 16 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.449 -0.149 18812 8375 1 16 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.498 -0.498 18812 8376 1 16 . 1 1 85 85 ALA H H 85 8.970 8.970 8.834 0.136 18812 8377 1 16 . 1 1 86 86 GLN N N 86 116.500 116.500 118.257 -1.757 18812 8378 1 16 . 1 1 86 86 GLN HA H 86 4.120 4.120 3.986 0.134 18812 8379 1 16 . 1 1 86 86 GLN CA C 86 58.900 58.900 59.351 -0.451 18812 8380 1 16 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.396 -0.296 18812 8381 1 16 . 1 1 86 86 GLN H H 86 8.680 8.680 7.955 0.725 18812 8382 1 16 . 1 1 87 87 ASP N N 87 122.300 122.300 120.437 1.863 18812 8383 1 16 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.394 0.206 18812 8384 1 16 . 1 1 87 87 ASP C C 87 178.200 178.200 178.817 -0.617 18812 8385 1 16 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.401 0.399 18812 8386 1 16 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.477 -0.777 18812 8387 1 16 . 1 1 87 87 ASP H H 87 7.820 7.820 7.689 0.131 18812 8388 1 16 . 1 1 88 88 ILE N N 88 120.900 120.900 119.776 1.124 18812 8389 1 16 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.734 -0.254 18812 8390 1 16 . 1 1 88 88 ILE C C 88 177.800 177.800 178.171 -0.371 18812 8391 1 16 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.657 1.143 18812 8392 1 16 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.767 0.533 18812 8393 1 16 . 1 1 88 88 ILE H H 88 8.160 8.160 8.192 -0.032 18812 8394 1 16 . 1 1 89 89 SER N N 89 113.200 113.200 115.352 -2.152 18812 8395 1 16 . 1 1 89 89 SER HA H 89 4.240 4.240 4.113 0.127 18812 8396 1 16 . 1 1 89 89 SER C C 89 177.200 177.200 176.774 0.426 18812 8397 1 16 . 1 1 89 89 SER CA C 89 61.700 61.700 62.100 -0.400 18812 8398 1 16 . 1 1 89 89 SER CB C 89 62.700 62.700 63.019 -0.319 18812 8399 1 16 . 1 1 89 89 SER H H 89 7.970 7.970 8.236 -0.266 18812 8400 1 16 . 1 1 90 90 ARG N N 90 123.100 123.100 121.284 1.816 18812 8401 1 16 . 1 1 90 90 ARG HA H 90 4.110 4.110 4.002 0.108 18812 8402 1 16 . 1 1 90 90 ARG CA C 90 59.900 59.900 59.510 0.391 18812 8403 1 16 . 1 1 90 90 ARG CB C 90 31.700 31.700 30.297 1.403 18812 8404 1 16 . 1 1 90 90 ARG H H 90 8.450 8.450 8.058 0.392 18812 8405 1 16 . 1 1 91 91 VAL N N 91 119.200 119.200 119.959 -0.759 18812 8406 1 16 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.603 -0.173 18812 8407 1 16 . 1 1 91 91 VAL C C 91 177.300 177.300 177.842 -0.542 18812 8408 1 16 . 1 1 91 91 VAL CA C 91 66.800 66.800 66.531 0.269 18812 8409 1 16 . 1 1 91 91 VAL CB C 91 31.700 31.700 31.610 0.090 18812 8410 1 16 . 1 1 91 91 VAL H H 91 8.140 8.140 8.174 -0.034 18812 8411 1 16 . 1 1 92 92 ALA N N 92 121.100 121.100 120.956 0.144 18812 8412 1 16 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.963 -0.003 18812 8413 1 16 . 1 1 92 92 ALA C C 92 179.200 179.200 179.676 -0.476 18812 8414 1 16 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.287 0.613 18812 8415 1 16 . 1 1 92 92 ALA CB C 92 18.400 18.400 17.975 0.425 18812 8416 1 16 . 1 1 92 92 ALA H H 92 9.020 9.020 8.439 0.581 18812 8417 1 16 . 1 1 93 93 SER N N 93 112.100 112.100 113.960 -1.860 18812 8418 1 16 . 1 1 93 93 SER HA H 93 4.240 4.240 4.154 0.086 18812 8419 1 16 . 1 1 93 93 SER C C 93 177.300 177.300 176.893 0.407 18812 8420 1 16 . 1 1 93 93 SER CA C 93 62.000 62.000 61.828 0.172 18812 8421 1 16 . 1 1 93 93 SER CB C 93 62.700 62.700 63.165 -0.465 18812 8422 1 16 . 1 1 93 93 SER H H 93 8.730 8.730 8.119 0.611 18812 8423 1 16 . 1 1 94 94 ARG N N 94 122.500 122.500 121.136 1.364 18812 8424 1 16 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.135 0.125 18812 8425 1 16 . 1 1 94 94 ARG C C 94 179.900 179.900 179.004 0.896 18812 8426 1 16 . 1 1 94 94 ARG CA C 94 57.800 57.800 58.097 -0.297 18812 8427 1 16 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.595 -0.395 18812 8428 1 16 . 1 1 94 94 ARG H H 94 7.520 7.520 8.045 -0.525 18812 8429 1 16 . 1 1 95 95 LEU N N 95 121.500 121.500 118.133 3.367 18812 8430 1 16 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.143 0.097 18812 8431 1 16 . 1 1 95 95 LEU C C 95 179.000 179.000 178.832 0.168 18812 8432 1 16 . 1 1 95 95 LEU CA C 95 58.100 58.100 58.169 -0.069 18812 8433 1 16 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.570 1.230 18812 8434 1 16 . 1 1 95 95 LEU H H 95 8.350 8.350 8.178 0.172 18812 8435 1 16 . 1 1 96 96 ALA N N 96 121.900 121.900 121.784 0.116 18812 8436 1 16 . 1 1 96 96 ALA HA H 96 4.320 4.320 3.959 0.361 18812 8437 1 16 . 1 1 96 96 ALA C C 96 182.200 182.200 179.049 3.151 18812 8438 1 16 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.800 0.300 18812 8439 1 16 . 1 1 96 96 ALA CB C 96 18.000 18.000 18.280 -0.280 18812 8440 1 16 . 1 1 96 96 ALA H H 96 8.740 8.740 8.120 0.620 18812 8441 1 16 . 1 1 97 97 ALA N N 97 121.400 121.400 120.086 1.314 18812 8442 1 16 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.166 0.064 18812 8443 1 16 . 1 1 97 97 ALA C C 97 179.200 179.200 180.059 -0.859 18812 8444 1 16 . 1 1 97 97 ALA CA C 97 54.600 54.600 54.275 0.325 18812 8445 1 16 . 1 1 97 97 ALA CB C 97 18.000 18.000 18.695 -0.695 18812 8446 1 16 . 1 1 97 97 ALA H H 97 8.190 8.190 7.988 0.202 18812 8447 1 16 . 1 1 98 98 GLY N N 98 103.500 103.500 107.306 -3.806 18812 8448 1 16 . 1 1 98 98 GLY C C 98 173.700 173.700 175.271 -1.571 18812 8449 1 16 . 1 1 98 98 GLY CA C 98 44.800 44.800 46.261 -1.461 18812 8450 1 16 . 1 1 98 98 GLY H H 98 7.710 7.710 8.335 -0.625 18812 8451 1 16 . 1 1 99 99 GLY N N 99 107.600 107.600 108.747 -1.147 18812 8452 1 16 . 1 1 99 99 GLY CA C 99 45.200 45.200 43.346 1.853 18812 8453 1 16 . 1 1 99 99 GLY H H 99 7.710 7.710 7.498 0.212 18812 8454 1 16 . 1 1 100 100 TRP N N 100 123.600 123.600 122.541 1.059 18812 8455 1 16 . 1 1 100 100 TRP CB C 100 52.300 52.300 28.183 24.117 18812 8456 1 16 . 1 1 100 100 TRP H H 100 7.820 7.820 7.642 0.178 18812 8457 1 16 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.357 -0.427 18812 8458 1 16 . 1 1 101 101 PRO C C 101 175.600 175.600 175.572 0.028 18812 8459 1 16 . 1 1 101 101 PRO CA C 101 62.600 62.600 63.386 -0.786 18812 8460 1 16 . 1 1 101 101 PRO CB C 101 34.200 34.200 32.633 1.567 18812 8461 1 16 . 1 1 102 102 LEU N N 102 122.800 122.800 120.221 2.579 18812 8462 1 16 . 1 1 102 102 LEU H H 102 8.470 8.470 7.506 0.964 18812 8463 1 16 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.428 0.232 18812 8464 1 16 . 1 1 103 103 ALA C C 103 177.100 177.100 177.635 -0.535 18812 8465 1 16 . 1 1 103 103 ALA CA C 103 51.500 51.500 52.343 -0.843 18812 8466 1 16 . 1 1 103 103 ALA CB C 103 21.700 21.700 17.500 4.200 18812 8467 1 16 . 1 1 104 104 GLY N N 104 108.500 108.500 110.083 -1.583 18812 8468 1 16 . 1 1 104 104 GLY C C 104 173.900 173.900 173.700 0.200 18812 8469 1 16 . 1 1 104 104 GLY CA C 104 45.900 45.900 45.461 0.439 18812 8470 1 16 . 1 1 104 104 GLY H H 104 8.700 8.700 8.182 0.518 18812 8471 1 16 . 1 1 105 105 VAL N N 105 116.700 116.700 118.870 -2.170 18812 8472 1 16 . 1 1 105 105 VAL HA H 105 4.220 4.220 4.269 -0.049 18812 8473 1 16 . 1 1 105 105 VAL C C 105 174.700 174.700 175.224 -0.524 18812 8474 1 16 . 1 1 105 105 VAL CA C 105 61.000 61.000 61.759 -0.759 18812 8475 1 16 . 1 1 105 105 VAL CB C 105 33.100 33.100 32.314 0.786 18812 8476 1 16 . 1 1 105 105 VAL H H 105 7.660 7.660 7.463 0.197 18812 8477 1 16 . 1 1 106 106 ASP N N 106 125.100 125.100 126.506 -1.406 18812 8478 1 16 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.811 -0.141 18812 8479 1 16 . 1 1 106 106 ASP C C 106 176.500 176.500 175.502 0.998 18812 8480 1 16 . 1 1 106 106 ASP CA C 106 54.000 54.000 53.504 0.496 18812 8481 1 16 . 1 1 106 106 ASP CB C 106 41.300 41.300 42.672 -1.372 18812 8482 1 16 . 1 1 106 106 ASP H H 106 8.600 8.600 8.397 0.203 18812 8483 1 16 . 1 1 107 107 SER N N 107 117.400 117.400 120.147 -2.747 18812 8484 1 16 . 1 1 107 107 SER HA H 107 4.320 4.320 4.393 -0.073 18812 8485 1 16 . 1 1 107 107 SER C C 107 175.400 175.400 176.291 -0.891 18812 8486 1 16 . 1 1 107 107 SER CA C 107 59.500 59.500 60.035 -0.535 18812 8487 1 16 . 1 1 107 107 SER CB C 107 63.200 63.200 64.066 -0.866 18812 8488 1 16 . 1 1 107 107 SER H H 107 8.560 8.560 8.847 -0.287 18812 8489 1 16 . 1 1 108 108 THR N N 108 115.100 115.100 115.569 -0.469 18812 8490 1 16 . 1 1 108 108 THR HA H 108 4.260 4.260 4.084 0.176 18812 8491 1 16 . 1 1 108 108 THR C C 108 174.800 174.800 175.209 -0.409 18812 8492 1 16 . 1 1 108 108 THR CA C 108 63.000 63.000 64.098 -1.098 18812 8493 1 16 . 1 1 108 108 THR CB C 108 69.300 69.300 68.300 1.000 18812 8494 1 16 . 1 1 108 108 THR H H 108 8.230 8.230 7.830 0.400 18812 8495 1 16 . 1 1 109 109 ALA N N 109 125.000 125.000 122.224 2.776 18812 8496 1 16 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.504 -0.144 18812 8497 1 16 . 1 1 109 109 ALA C C 109 177.500 177.500 176.804 0.696 18812 8498 1 16 . 1 1 109 109 ALA CA C 109 52.500 52.500 51.220 1.280 18812 8499 1 16 . 1 1 109 109 ALA CB C 109 19.100 19.100 19.569 -0.469 18812 8500 1 16 . 1 1 109 109 ALA H H 109 8.020 8.020 8.141 -0.121 18812 8501 1 16 . 1 1 110 110 LEU N N 110 119.400 119.400 120.654 -1.254 18812 8502 1 16 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.387 -0.037 18812 8503 1 16 . 1 1 110 110 LEU C C 110 176.800 176.800 174.472 2.328 18812 8504 1 16 . 1 1 110 110 LEU CA C 110 55.000 55.000 54.494 0.506 18812 8505 1 16 . 1 1 110 110 LEU CB C 110 42.000 42.000 41.454 0.546 18812 8506 1 16 . 1 1 110 110 LEU H H 110 7.880 7.880 7.463 0.417 18812 8507 1 16 . 1 1 111 111 ASN N N 111 118.700 118.700 114.740 3.960 18812 8508 1 16 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.796 -0.066 18812 8509 1 16 . 1 1 111 111 ASN C C 111 173.600 173.600 173.631 -0.031 18812 8510 1 16 . 1 1 111 111 ASN CA C 111 52.900 52.900 52.609 0.291 18812 8511 1 16 . 1 1 111 111 ASN CB C 111 39.000 39.000 39.139 -0.139 18812 8512 1 16 . 1 1 111 111 ASN H H 111 8.230 8.230 7.670 0.560 18812 8513 1 17 . 1 1 10 10 GLY C C 10 174.100 174.100 173.390 0.710 18812 8514 1 17 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.793 0.507 18812 8515 1 17 . 1 1 10 10 GLY H H 10 8.500 8.500 8.358 0.142 18812 8516 1 17 . 1 1 11 11 THR N N 11 113.700 113.700 112.476 1.224 18812 8517 1 17 . 1 1 11 11 THR HA H 11 4.350 4.350 4.546 -0.196 18812 8518 1 17 . 1 1 11 11 THR C C 11 174.700 174.700 173.846 0.854 18812 8519 1 17 . 1 1 11 11 THR CA C 11 62.000 62.000 61.366 0.634 18812 8520 1 17 . 1 1 11 11 THR CB C 11 69.800 69.800 69.609 0.191 18812 8521 1 17 . 1 1 11 11 THR H H 11 8.100 8.100 7.800 0.300 18812 8522 1 17 . 1 1 12 12 LEU N N 12 124.100 124.100 122.534 1.566 18812 8523 1 17 . 1 1 12 12 LEU C C 12 177.600 177.600 176.449 1.151 18812 8524 1 17 . 1 1 12 12 LEU CA C 12 55.400 55.400 55.059 0.341 18812 8525 1 17 . 1 1 12 12 LEU CB C 12 42.000 42.000 42.913 -0.913 18812 8526 1 17 . 1 1 12 12 LEU H H 12 8.380 8.380 8.337 0.043 18812 8527 1 17 . 1 1 13 13 GLU N N 13 121.500 121.500 121.510 -0.010 18812 8528 1 17 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.487 -0.267 18812 8529 1 17 . 1 1 13 13 GLU C C 13 176.300 176.300 174.952 1.348 18812 8530 1 17 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.574 1.326 18812 8531 1 17 . 1 1 13 13 GLU CB C 13 29.600 29.600 30.294 -0.694 18812 8532 1 17 . 1 1 13 13 GLU H H 13 8.440 8.440 8.249 0.191 18812 8533 1 17 . 1 1 14 14 ALA N N 14 124.300 124.300 128.193 -3.893 18812 8534 1 17 . 1 1 14 14 ALA CA C 14 52.600 52.600 51.447 1.153 18812 8535 1 17 . 1 1 14 14 ALA CB C 14 19.000 19.000 20.042 -1.042 18812 8536 1 17 . 1 1 14 14 ALA H H 14 8.280 8.280 8.688 -0.408 18812 8537 1 17 . 1 1 15 15 GLN N N 15 118.700 118.700 124.355 -5.655 18812 8538 1 17 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.207 0.193 18812 8539 1 17 . 1 1 15 15 GLN C C 15 176.300 176.300 176.471 -0.171 18812 8540 1 17 . 1 1 15 15 GLN CA C 15 55.800 55.800 57.284 -1.484 18812 8541 1 17 . 1 1 15 15 GLN CB C 15 29.300 29.300 29.302 -0.002 18812 8542 1 17 . 1 1 15 15 GLN H H 15 8.360 8.360 9.028 -0.668 18812 8543 1 17 . 1 1 16 16 THR N N 16 114.800 114.800 112.459 2.341 18812 8544 1 17 . 1 1 16 16 THR C C 16 174.400 174.400 174.212 0.188 18812 8545 1 17 . 1 1 16 16 THR CA C 16 62.000 62.000 60.710 1.290 18812 8546 1 17 . 1 1 16 16 THR CB C 16 69.700 69.700 70.130 -0.430 18812 8547 1 17 . 1 1 16 16 THR H H 16 8.200 8.200 8.355 -0.155 18812 8548 1 17 . 1 1 17 17 GLN N N 17 122.200 122.200 120.013 2.187 18812 8549 1 17 . 1 1 17 17 GLN C C 17 175.900 175.900 176.114 -0.214 18812 8550 1 17 . 1 1 17 17 GLN CA C 17 55.500 55.500 54.524 0.976 18812 8551 1 17 . 1 1 17 17 GLN CB C 17 29.600 29.600 27.957 1.643 18812 8552 1 17 . 1 1 17 17 GLN H H 17 8.430 8.430 8.746 -0.316 18812 8553 1 17 . 1 1 18 18 GLY N N 18 110.100 110.100 111.108 -1.008 18812 8554 1 17 . 1 1 18 18 GLY CA C 18 44.500 44.500 45.321 -0.821 18812 8555 1 17 . 1 1 18 18 GLY H H 18 8.360 8.360 8.263 0.097 18812 8556 1 17 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.261 0.199 18812 8557 1 17 . 1 1 19 19 PRO C C 19 177.700 177.700 176.796 0.904 18812 8558 1 17 . 1 1 19 19 PRO CA C 19 63.600 63.600 64.601 -1.001 18812 8559 1 17 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.087 -0.187 18812 8560 1 17 . 1 1 20 20 GLY N N 20 109.600 109.600 104.689 4.911 18812 8561 1 17 . 1 1 20 20 GLY C C 20 174.100 174.100 173.487 0.613 18812 8562 1 17 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.090 0.110 18812 8563 1 17 . 1 1 20 20 GLY H H 20 8.630 8.630 7.631 0.999 18812 8564 1 17 . 1 1 21 21 SER N N 21 115.300 115.300 115.854 -0.554 18812 8565 1 17 . 1 1 21 21 SER HA H 21 4.460 4.460 4.147 0.313 18812 8566 1 17 . 1 1 21 21 SER C C 21 174.100 174.100 172.403 1.697 18812 8567 1 17 . 1 1 21 21 SER CA C 21 58.300 58.300 58.436 -0.136 18812 8568 1 17 . 1 1 21 21 SER CB C 21 63.900 63.900 62.613 1.287 18812 8569 1 17 . 1 1 21 21 SER H H 21 8.150 8.150 8.056 0.094 18812 8570 1 17 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.635 -0.195 18812 8571 1 17 . 1 1 22 22 PRO C C 22 176.800 176.800 176.626 0.174 18812 8572 1 17 . 1 1 22 22 PRO CA C 22 63.100 63.100 62.293 0.807 18812 8573 1 17 . 1 1 22 22 PRO CB C 22 32.100 32.100 32.533 -0.433 18812 8574 1 17 . 1 1 23 23 GLU N N 23 120.900 120.900 122.478 -1.578 18812 8575 1 17 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.084 0.196 18812 8576 1 17 . 1 1 23 23 GLU C C 23 177.000 177.000 177.425 -0.425 18812 8577 1 17 . 1 1 23 23 GLU CA C 23 56.600 56.600 57.824 -1.224 18812 8578 1 17 . 1 1 23 23 GLU CB C 23 30.400 30.400 29.428 0.972 18812 8579 1 17 . 1 1 23 23 GLU H H 23 8.630 8.630 8.617 0.013 18812 8580 1 17 . 1 1 24 24 GLY N N 24 109.800 109.800 110.993 -1.193 18812 8581 1 17 . 1 1 24 24 GLY C C 24 173.600 173.600 173.945 -0.345 18812 8582 1 17 . 1 1 24 24 GLY CA C 24 45.100 45.100 45.410 -0.310 18812 8583 1 17 . 1 1 24 24 GLY H H 24 8.450 8.450 8.837 -0.387 18812 8584 1 17 . 1 1 25 25 VAL N N 25 120.600 120.600 120.759 -0.159 18812 8585 1 17 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.431 0.029 18812 8586 1 17 . 1 1 25 25 VAL CA C 25 59.700 59.700 59.086 0.614 18812 8587 1 17 . 1 1 25 25 VAL CB C 25 32.600 32.600 33.289 -0.689 18812 8588 1 17 . 1 1 25 25 VAL H H 25 7.990 7.990 7.452 0.538 18812 8589 1 17 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.629 -0.109 18812 8590 1 17 . 1 1 27 27 PRO C C 27 177.200 177.200 175.844 1.356 18812 8591 1 17 . 1 1 27 27 PRO CA C 27 63.100 63.100 63.481 -0.381 18812 8592 1 17 . 1 1 27 27 PRO CB C 27 32.000 32.000 30.631 1.369 18812 8593 1 17 . 1 1 28 28 THR N N 28 113.000 113.000 120.415 -7.415 18812 8594 1 17 . 1 1 28 28 THR HA H 28 4.270 4.270 4.320 -0.050 18812 8595 1 17 . 1 1 28 28 THR C C 28 174.400 174.400 173.785 0.615 18812 8596 1 17 . 1 1 28 28 THR CA C 28 62.000 62.000 62.865 -0.865 18812 8597 1 17 . 1 1 28 28 THR CB C 28 69.700 69.700 69.523 0.177 18812 8598 1 17 . 1 1 28 28 THR H H 28 8.160 8.160 7.908 0.252 18812 8599 1 17 . 1 1 29 29 ASP N N 29 122.100 122.100 123.962 -1.862 18812 8600 1 17 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.471 0.109 18812 8601 1 17 . 1 1 29 29 ASP CA C 29 54.300 54.300 54.427 -0.127 18812 8602 1 17 . 1 1 29 29 ASP CB C 29 40.900 40.900 41.476 -0.576 18812 8603 1 17 . 1 1 29 29 ASP H H 29 8.290 8.290 8.416 -0.126 18812 8604 1 17 . 1 1 30 30 ARG N N 30 120.300 120.300 118.044 2.256 18812 8605 1 17 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.387 -0.197 18812 8606 1 17 . 1 1 30 30 ARG C C 30 175.600 175.600 175.752 -0.152 18812 8607 1 17 . 1 1 30 30 ARG CA C 30 56.200 56.200 54.958 1.242 18812 8608 1 17 . 1 1 30 30 ARG CB C 30 30.800 30.800 30.383 0.417 18812 8609 1 17 . 1 1 30 30 ARG H H 30 8.070 8.070 7.372 0.698 18812 8610 1 17 . 1 1 31 31 PHE N N 31 120.500 120.500 125.576 -5.076 18812 8611 1 17 . 1 1 31 31 PHE CB C 31 38.800 38.800 38.045 0.755 18812 8612 1 17 . 1 1 31 31 PHE H H 31 8.240 8.240 8.701 -0.461 18812 8613 1 17 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.316 0.124 18812 8614 1 17 . 1 1 32 32 PRO C C 32 177.200 177.200 176.040 1.160 18812 8615 1 17 . 1 1 32 32 PRO CA C 32 63.400 63.400 64.287 -0.887 18812 8616 1 17 . 1 1 32 32 PRO CB C 32 31.700 31.700 32.086 -0.386 18812 8617 1 17 . 1 1 33 33 LEU N N 33 121.000 121.000 119.612 1.388 18812 8618 1 17 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.535 -0.205 18812 8619 1 17 . 1 1 33 33 LEU CA C 33 55.600 55.600 53.791 1.809 18812 8620 1 17 . 1 1 33 33 LEU CB C 33 42.100 42.100 43.152 -1.052 18812 8621 1 17 . 1 1 33 33 LEU H H 33 8.290 8.290 7.791 0.499 18812 8622 1 17 . 1 1 34 34 LEU N N 34 122.100 122.100 122.088 0.012 18812 8623 1 17 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.386 -0.076 18812 8624 1 17 . 1 1 34 34 LEU C C 34 177.300 177.300 177.230 0.070 18812 8625 1 17 . 1 1 34 34 LEU CA C 34 55.200 55.200 55.549 -0.349 18812 8626 1 17 . 1 1 34 34 LEU CB C 34 41.900 41.900 42.866 -0.966 18812 8627 1 17 . 1 1 34 34 LEU H H 34 8.110 8.110 8.492 -0.382 18812 8628 1 17 . 1 1 35 35 ALA N N 35 123.400 123.400 122.454 0.946 18812 8629 1 17 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.339 -0.059 18812 8630 1 17 . 1 1 35 35 ALA C C 35 177.600 177.600 177.076 0.524 18812 8631 1 17 . 1 1 35 35 ALA CA C 35 52.700 52.700 52.374 0.326 18812 8632 1 17 . 1 1 35 35 ALA CB C 35 18.800 18.800 16.654 2.146 18812 8633 1 17 . 1 1 35 35 ALA H H 35 8.140 8.140 7.873 0.267 18812 8634 1 17 . 1 1 36 36 LEU N N 36 120.000 120.000 119.398 0.602 18812 8635 1 17 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.766 -0.506 18812 8636 1 17 . 1 1 36 36 LEU CA C 36 55.500 55.500 55.302 0.198 18812 8637 1 17 . 1 1 36 36 LEU CB C 36 42.000 42.000 43.250 -1.250 18812 8638 1 17 . 1 1 36 36 LEU H H 36 7.990 7.990 7.874 0.116 18812 8639 1 17 . 1 1 37 37 LEU N N 37 122.700 122.700 123.134 -0.434 18812 8640 1 17 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.529 -0.148 18812 8641 1 17 . 1 1 37 37 LEU C C 37 177.100 177.100 175.742 1.358 18812 8642 1 17 . 1 1 37 37 LEU CA C 37 55.000 55.000 55.467 -0.467 18812 8643 1 17 . 1 1 37 37 LEU CB C 37 42.100 42.100 41.959 0.141 18812 8644 1 17 . 1 1 37 37 LEU H H 37 8.190 8.190 7.915 0.275 18812 8645 1 17 . 1 1 38 38 ARG N N 38 121.600 121.600 123.773 -2.173 18812 8646 1 17 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.601 -0.131 18812 8647 1 17 . 1 1 38 38 ARG C C 38 176.200 176.200 175.935 0.265 18812 8648 1 17 . 1 1 38 38 ARG CA C 38 55.100 55.100 55.012 0.088 18812 8649 1 17 . 1 1 38 38 ARG CB C 38 31.200 31.200 30.154 1.046 18812 8650 1 17 . 1 1 38 38 ARG H H 38 8.040 8.040 8.489 -0.449 18812 8651 1 17 . 1 1 39 39 ARG N N 39 123.600 123.600 118.842 4.758 18812 8652 1 17 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.297 0.073 18812 8653 1 17 . 1 1 39 39 ARG C C 39 175.500 175.500 176.354 -0.854 18812 8654 1 17 . 1 1 39 39 ARG CA C 39 56.700 56.700 58.290 -1.590 18812 8655 1 17 . 1 1 39 39 ARG CB C 39 31.200 31.200 30.286 0.914 18812 8656 1 17 . 1 1 39 39 ARG H H 39 8.840 8.840 8.044 0.796 18812 8657 1 17 . 1 1 40 40 THR N N 40 113.900 113.900 113.160 0.740 18812 8658 1 17 . 1 1 40 40 THR HA H 40 4.770 4.770 4.248 0.522 18812 8659 1 17 . 1 1 40 40 THR C C 40 175.300 175.300 174.140 1.160 18812 8660 1 17 . 1 1 40 40 THR CA C 40 59.500 59.500 61.785 -2.285 18812 8661 1 17 . 1 1 40 40 THR CB C 40 71.700 71.700 68.690 3.010 18812 8662 1 17 . 1 1 40 40 THR H H 40 8.150 8.150 7.959 0.191 18812 8663 1 17 . 1 1 41 41 LEU N N 41 123.100 123.100 129.262 -6.162 18812 8664 1 17 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.274 0.196 18812 8665 1 17 . 1 1 41 41 LEU C C 41 179.700 179.700 177.347 2.353 18812 8666 1 17 . 1 1 41 41 LEU CA C 41 54.900 54.900 54.916 -0.015 18812 8667 1 17 . 1 1 41 41 LEU CB C 41 43.000 43.000 40.308 2.692 18812 8668 1 17 . 1 1 41 41 LEU H H 41 9.480 9.480 8.709 0.771 18812 8669 1 17 . 1 1 42 42 THR N N 42 115.100 115.100 119.148 -4.048 18812 8670 1 17 . 1 1 42 42 THR HA H 42 4.580 4.580 4.309 0.271 18812 8671 1 17 . 1 1 42 42 THR C C 42 175.400 175.400 175.578 -0.178 18812 8672 1 17 . 1 1 42 42 THR CA C 42 60.900 60.900 61.040 -0.140 18812 8673 1 17 . 1 1 42 42 THR CB C 42 70.600 70.600 71.344 -0.744 18812 8674 1 17 . 1 1 42 42 THR H H 42 8.790 8.790 7.840 0.950 18812 8675 1 17 . 1 1 43 43 GLU N N 43 121.400 121.400 121.993 -0.593 18812 8676 1 17 . 1 1 43 43 GLU HA H 43 4.020 4.020 4.008 0.012 18812 8677 1 17 . 1 1 43 43 GLU C C 43 179.100 179.100 178.290 0.810 18812 8678 1 17 . 1 1 43 43 GLU CA C 43 59.700 59.700 59.922 -0.222 18812 8679 1 17 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.526 -0.626 18812 8680 1 17 . 1 1 43 43 GLU H H 43 9.020 9.020 8.990 0.030 18812 8681 1 17 . 1 1 44 44 GLU N N 44 118.300 118.300 118.264 0.036 18812 8682 1 17 . 1 1 44 44 GLU HA H 44 4.020 4.020 3.973 0.047 18812 8683 1 17 . 1 1 44 44 GLU C C 44 179.700 179.700 179.208 0.492 18812 8684 1 17 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.490 0.710 18812 8685 1 17 . 1 1 44 44 GLU CB C 44 29.000 29.000 29.128 -0.128 18812 8686 1 17 . 1 1 44 44 GLU H H 44 8.810 8.810 8.343 0.467 18812 8687 1 17 . 1 1 45 45 GLN N N 45 119.300 119.300 118.176 1.124 18812 8688 1 17 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.307 -0.087 18812 8689 1 17 . 1 1 45 45 GLN C C 45 178.500 178.500 178.847 -0.347 18812 8690 1 17 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.137 0.163 18812 8691 1 17 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.488 0.712 18812 8692 1 17 . 1 1 45 45 GLN H H 45 7.800 7.800 7.704 0.096 18812 8693 1 17 . 1 1 46 46 VAL N N 46 121.000 121.000 121.103 -0.103 18812 8694 1 17 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.556 -0.156 18812 8695 1 17 . 1 1 46 46 VAL C C 46 177.500 177.500 178.150 -0.650 18812 8696 1 17 . 1 1 46 46 VAL CA C 46 67.600 67.600 66.874 0.726 18812 8697 1 17 . 1 1 46 46 VAL CB C 46 31.300 31.300 31.281 0.019 18812 8698 1 17 . 1 1 46 46 VAL H H 46 8.420 8.420 8.302 0.118 18812 8699 1 17 . 1 1 47 47 GLN N N 47 115.900 115.900 118.052 -2.152 18812 8700 1 17 . 1 1 47 47 GLN HA H 47 3.890 3.890 3.939 -0.049 18812 8701 1 17 . 1 1 47 47 GLN C C 47 178.500 178.500 178.383 0.117 18812 8702 1 17 . 1 1 47 47 GLN CA C 47 58.800 58.800 59.248 -0.448 18812 8703 1 17 . 1 1 47 47 GLN CB C 47 27.700 27.700 28.468 -0.768 18812 8704 1 17 . 1 1 47 47 GLN H H 47 7.470 7.470 8.320 -0.850 18812 8705 1 17 . 1 1 48 48 GLU N N 48 121.400 121.400 121.162 0.238 18812 8706 1 17 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.034 0.086 18812 8707 1 17 . 1 1 48 48 GLU C C 48 178.500 178.500 178.903 -0.403 18812 8708 1 17 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.753 -0.453 18812 8709 1 17 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.492 0.308 18812 8710 1 17 . 1 1 48 48 GLU H H 48 7.940 7.940 8.049 -0.109 18812 8711 1 17 . 1 1 49 49 VAL N N 49 120.300 120.300 120.415 -0.115 18812 8712 1 17 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.793 -0.203 18812 8713 1 17 . 1 1 49 49 VAL CA C 49 67.200 67.200 66.939 0.261 18812 8714 1 17 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.593 -0.093 18812 8715 1 17 . 1 1 49 49 VAL H H 49 8.580 8.580 8.384 0.196 18812 8716 1 17 . 1 1 50 50 VAL N N 50 118.700 118.700 117.379 1.321 18812 8717 1 17 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.617 -0.397 18812 8718 1 17 . 1 1 50 50 VAL C C 50 178.600 178.600 177.720 0.880 18812 8719 1 17 . 1 1 50 50 VAL CA C 50 67.500 67.500 66.168 1.332 18812 8720 1 17 . 1 1 50 50 VAL CB C 50 31.400 31.400 30.639 0.761 18812 8721 1 17 . 1 1 50 50 VAL H H 50 8.350 8.350 8.140 0.210 18812 8722 1 17 . 1 1 51 51 ALA N N 51 123.200 123.200 123.528 -0.328 18812 8723 1 17 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.001 -0.171 18812 8724 1 17 . 1 1 51 51 ALA C C 51 180.100 180.100 179.337 0.763 18812 8725 1 17 . 1 1 51 51 ALA CA C 51 55.300 55.300 55.180 0.120 18812 8726 1 17 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.482 -0.782 18812 8727 1 17 . 1 1 51 51 ALA H H 51 8.320 8.320 8.241 0.079 18812 8728 1 17 . 1 1 52 52 LYS N N 52 117.200 117.200 119.559 -2.359 18812 8729 1 17 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.218 -0.098 18812 8730 1 17 . 1 1 52 52 LYS C C 52 180.200 180.200 179.138 1.062 18812 8731 1 17 . 1 1 52 52 LYS CA C 52 59.200 59.200 58.369 0.831 18812 8732 1 17 . 1 1 52 52 LYS CB C 52 32.700 32.700 32.632 0.068 18812 8733 1 17 . 1 1 52 52 LYS H H 52 8.170 8.170 8.005 0.165 18812 8734 1 17 . 1 1 53 53 LEU N N 53 118.600 118.600 119.695 -1.095 18812 8735 1 17 . 1 1 53 53 LEU HA H 53 3.390 3.390 3.806 -0.416 18812 8736 1 17 . 1 1 53 53 LEU C C 53 176.300 176.300 177.213 -0.913 18812 8737 1 17 . 1 1 53 53 LEU CA C 53 56.300 56.300 56.778 -0.478 18812 8738 1 17 . 1 1 53 53 LEU CB C 53 44.300 44.300 41.097 3.203 18812 8739 1 17 . 1 1 53 53 LEU H H 53 8.170 8.170 8.233 -0.063 18812 8740 1 17 . 1 1 54 54 THR N N 54 103.000 103.000 107.944 -4.944 18812 8741 1 17 . 1 1 54 54 THR HA H 54 3.490 3.490 4.209 -0.719 18812 8742 1 17 . 1 1 54 54 THR C C 54 173.600 173.600 175.411 -1.811 18812 8743 1 17 . 1 1 54 54 THR CA C 54 60.800 60.800 62.788 -1.988 18812 8744 1 17 . 1 1 54 54 THR CB C 54 69.700 69.700 68.769 0.931 18812 8745 1 17 . 1 1 54 54 THR H H 54 6.990 6.990 7.565 -0.575 18812 8746 1 17 . 1 1 55 55 ASP N N 55 126.400 126.400 124.382 2.018 18812 8747 1 17 . 1 1 55 55 ASP HA H 55 4.630 4.630 5.144 -0.514 18812 8748 1 17 . 1 1 55 55 ASP CA C 55 52.600 52.600 52.173 0.427 18812 8749 1 17 . 1 1 55 55 ASP CB C 55 42.200 42.200 42.309 -0.109 18812 8750 1 17 . 1 1 55 55 ASP H H 55 6.900 6.900 7.778 -0.878 18812 8751 1 17 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.357 -0.017 18812 8752 1 17 . 1 1 56 56 PRO C C 56 178.500 178.500 178.511 -0.011 18812 8753 1 17 . 1 1 56 56 PRO CA C 56 65.100 65.100 64.948 0.152 18812 8754 1 17 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.360 -0.260 18812 8755 1 17 . 1 1 57 57 GLU N N 57 115.700 115.700 118.919 -3.219 18812 8756 1 17 . 1 1 57 57 GLU C C 57 176.300 176.300 178.552 -2.252 18812 8757 1 17 . 1 1 57 57 GLU CA C 57 59.600 59.600 60.205 -0.605 18812 8758 1 17 . 1 1 57 57 GLU CB C 57 29.400 29.400 29.114 0.286 18812 8759 1 17 . 1 1 57 57 GLU H H 57 8.640 8.640 8.570 0.070 18812 8760 1 17 . 1 1 58 58 SER N N 58 115.000 115.000 114.497 0.503 18812 8761 1 17 . 1 1 58 58 SER HA H 58 4.260 4.260 4.198 0.062 18812 8762 1 17 . 1 1 58 58 SER C C 58 177.400 177.400 176.665 0.735 18812 8763 1 17 . 1 1 58 58 SER CA C 58 62.900 62.900 61.164 1.736 18812 8764 1 17 . 1 1 58 58 SER CB C 58 69.300 69.300 62.684 6.616 18812 8765 1 17 . 1 1 58 58 SER H H 58 8.180 8.180 8.064 0.116 18812 8766 1 17 . 1 1 60 60 ALA N N 60 123.000 123.000 121.801 1.199 18812 8767 1 17 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.377 0.253 18812 8768 1 17 . 1 1 60 60 ALA C C 60 180.600 180.600 179.346 1.254 18812 8769 1 17 . 1 1 60 60 ALA CA C 60 53.600 53.600 54.634 -1.034 18812 8770 1 17 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.474 0.726 18812 8771 1 17 . 1 1 60 60 ALA H H 60 8.020 8.020 8.384 -0.364 18812 8772 1 17 . 1 1 61 61 GLN N N 61 114.000 114.000 118.188 -4.188 18812 8773 1 17 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.174 -0.154 18812 8774 1 17 . 1 1 61 61 GLN C C 61 176.900 176.900 177.468 -0.568 18812 8775 1 17 . 1 1 61 61 GLN CA C 61 54.900 54.900 57.744 -2.844 18812 8776 1 17 . 1 1 61 61 GLN CB C 61 28.500 28.500 28.843 -0.343 18812 8777 1 17 . 1 1 61 61 GLN H H 61 7.500 7.500 7.519 -0.019 18812 8778 1 17 . 1 1 62 62 ILE N N 62 123.900 123.900 120.434 3.466 18812 8779 1 17 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.823 -0.043 18812 8780 1 17 . 1 1 62 62 ILE C C 62 176.800 176.800 177.651 -0.851 18812 8781 1 17 . 1 1 62 62 ILE CA C 62 65.900 65.900 64.103 1.797 18812 8782 1 17 . 1 1 62 62 ILE CB C 62 37.700 37.700 38.581 -0.881 18812 8783 1 17 . 1 1 62 62 ILE H H 62 7.240 7.240 7.904 -0.664 18812 8784 1 17 . 1 1 63 63 ASP N N 63 114.100 114.100 117.772 -3.672 18812 8785 1 17 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.767 0.043 18812 8786 1 17 . 1 1 63 63 ASP C C 63 177.500 177.500 176.844 0.656 18812 8787 1 17 . 1 1 63 63 ASP CA C 63 51.700 51.700 53.835 -2.135 18812 8788 1 17 . 1 1 63 63 ASP CB C 63 40.300 40.300 42.279 -1.978 18812 8789 1 17 . 1 1 63 63 ASP H H 63 7.860 7.860 7.812 0.048 18812 8790 1 17 . 1 1 64 64 GLY N N 64 104.800 104.800 107.598 -2.798 18812 8791 1 17 . 1 1 64 64 GLY C C 64 173.400 173.400 173.745 -0.345 18812 8792 1 17 . 1 1 64 64 GLY CA C 64 45.900 45.900 45.431 0.469 18812 8793 1 17 . 1 1 64 64 GLY H H 64 7.860 7.860 7.953 -0.093 18812 8794 1 17 . 1 1 65 65 VAL N N 65 117.700 117.700 118.158 -0.458 18812 8795 1 17 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.283 0.217 18812 8796 1 17 . 1 1 65 65 VAL C C 65 173.300 173.300 174.014 -0.714 18812 8797 1 17 . 1 1 65 65 VAL CA C 65 60.100 60.100 61.661 -1.562 18812 8798 1 17 . 1 1 65 65 VAL CB C 65 36.100 36.100 34.991 1.109 18812 8799 1 17 . 1 1 65 65 VAL H H 65 7.550 7.550 7.597 -0.047 18812 8800 1 17 . 1 1 66 66 VAL N N 66 129.500 129.500 127.889 1.611 18812 8801 1 17 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.570 0.160 18812 8802 1 17 . 1 1 66 66 VAL C C 66 174.300 174.300 174.256 0.044 18812 8803 1 17 . 1 1 66 66 VAL CA C 66 61.500 61.500 61.877 -0.377 18812 8804 1 17 . 1 1 66 66 VAL CB C 66 31.800 31.800 32.582 -0.782 18812 8805 1 17 . 1 1 66 66 VAL H H 66 8.540 8.540 8.403 0.137 18812 8806 1 17 . 1 1 67 67 SER N N 67 123.500 123.500 122.524 0.976 18812 8807 1 17 . 1 1 67 67 SER HA H 67 5.510 5.510 4.756 0.754 18812 8808 1 17 . 1 1 67 67 SER CA C 67 55.700 55.700 57.059 -1.359 18812 8809 1 17 . 1 1 67 67 SER CB C 67 66.100 66.100 65.117 0.983 18812 8810 1 17 . 1 1 67 67 SER H H 67 9.370 9.370 8.241 1.129 18812 8811 1 17 . 1 1 68 68 LYS C C 68 177.100 177.100 177.556 -0.456 18812 8812 1 17 . 1 1 69 69 ASP N N 69 114.800 114.800 118.045 -3.245 18812 8813 1 17 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.401 0.049 18812 8814 1 17 . 1 1 69 69 ASP C C 69 178.800 178.800 177.495 1.305 18812 8815 1 17 . 1 1 69 69 ASP CA C 69 56.900 56.900 56.409 0.491 18812 8816 1 17 . 1 1 69 69 ASP CB C 69 40.400 40.400 40.384 0.016 18812 8817 1 17 . 1 1 69 69 ASP H H 69 8.420 8.420 7.852 0.568 18812 8818 1 17 . 1 1 70 70 GLU N N 70 120.300 120.300 119.632 0.668 18812 8819 1 17 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.077 0.073 18812 8820 1 17 . 1 1 70 70 GLU C C 70 178.000 178.000 178.575 -0.575 18812 8821 1 17 . 1 1 70 70 GLU CA C 70 59.200 59.200 59.035 0.165 18812 8822 1 17 . 1 1 70 70 GLU CB C 70 28.600 28.600 29.060 -0.460 18812 8823 1 17 . 1 1 70 70 GLU H H 70 7.600 7.600 8.153 -0.553 18812 8824 1 17 . 1 1 71 71 ILE N N 71 119.100 119.100 120.627 -1.527 18812 8825 1 17 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.642 -0.211 18812 8826 1 17 . 1 1 71 71 ILE C C 71 177.300 177.300 178.185 -0.885 18812 8827 1 17 . 1 1 71 71 ILE CA C 71 67.300 67.300 64.153 3.147 18812 8828 1 17 . 1 1 71 71 ILE CB C 71 37.800 37.800 36.727 1.073 18812 8829 1 17 . 1 1 71 71 ILE H H 71 8.050 8.050 7.845 0.205 18812 8830 1 17 . 1 1 72 72 GLU N N 72 116.200 116.200 119.271 -3.071 18812 8831 1 17 . 1 1 72 72 GLU HA H 72 3.650 3.650 4.023 -0.373 18812 8832 1 17 . 1 1 72 72 GLU C C 72 178.000 178.000 178.756 -0.756 18812 8833 1 17 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.186 1.814 18812 8834 1 17 . 1 1 72 72 GLU CB C 72 30.200 30.200 28.575 1.625 18812 8835 1 17 . 1 1 72 72 GLU H H 72 8.460 8.460 8.104 0.356 18812 8836 1 17 . 1 1 73 73 LYS N N 73 118.600 118.600 121.599 -2.999 18812 8837 1 17 . 1 1 73 73 LYS C C 73 179.000 179.000 178.682 0.318 18812 8838 1 17 . 1 1 73 73 LYS CA C 73 59.400 59.400 59.134 0.266 18812 8839 1 17 . 1 1 73 73 LYS CB C 73 32.600 32.600 32.124 0.476 18812 8840 1 17 . 1 1 73 73 LYS H H 73 8.020 8.020 8.019 0.001 18812 8841 1 17 . 1 1 74 74 PHE N N 74 118.500 118.500 118.002 0.498 18812 8842 1 17 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.273 0.047 18812 8843 1 17 . 1 1 74 74 PHE C C 74 179.400 179.400 178.193 1.207 18812 8844 1 17 . 1 1 74 74 PHE CA C 74 61.300 61.300 61.095 0.205 18812 8845 1 17 . 1 1 74 74 PHE CB C 74 38.300 38.300 38.953 -0.653 18812 8846 1 17 . 1 1 74 74 PHE H H 74 8.870 8.870 8.284 0.586 18812 8847 1 17 . 1 1 75 75 ILE N N 75 119.000 119.000 119.560 -0.560 18812 8848 1 17 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.581 0.189 18812 8849 1 17 . 1 1 75 75 ILE C C 75 177.900 177.900 178.213 -0.313 18812 8850 1 17 . 1 1 75 75 ILE CA C 75 66.800 66.800 65.163 1.637 18812 8851 1 17 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.538 0.963 18812 8852 1 17 . 1 1 75 75 ILE H H 75 8.570 8.570 8.291 0.279 18812 8853 1 17 . 1 1 76 76 ALA N N 76 122.200 122.200 121.220 0.980 18812 8854 1 17 . 1 1 76 76 ALA HA H 76 4.570 4.570 3.985 0.585 18812 8855 1 17 . 1 1 76 76 ALA C C 76 181.000 181.000 179.424 1.576 18812 8856 1 17 . 1 1 76 76 ALA CA C 76 54.600 54.600 55.063 -0.464 18812 8857 1 17 . 1 1 76 76 ALA CB C 76 18.400 18.400 17.904 0.496 18812 8858 1 17 . 1 1 76 76 ALA H H 76 8.230 8.230 8.361 -0.131 18812 8859 1 17 . 1 1 77 77 ASP N N 77 117.200 117.200 118.199 -0.999 18812 8860 1 17 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.413 0.027 18812 8861 1 17 . 1 1 77 77 ASP C C 77 177.200 177.200 177.441 -0.241 18812 8862 1 17 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.476 0.224 18812 8863 1 17 . 1 1 77 77 ASP CB C 77 41.100 41.100 41.075 0.024 18812 8864 1 17 . 1 1 77 77 ASP H H 77 7.900 7.900 7.698 0.202 18812 8865 1 17 . 1 1 78 78 VAL N N 78 118.100 118.100 117.658 0.442 18812 8866 1 17 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.032 -0.062 18812 8867 1 17 . 1 1 78 78 VAL C C 78 177.800 177.800 175.161 2.639 18812 8868 1 17 . 1 1 78 78 VAL CA C 78 64.800 64.800 62.457 2.343 18812 8869 1 17 . 1 1 78 78 VAL CB C 78 32.700 32.700 30.959 1.741 18812 8870 1 17 . 1 1 78 78 VAL H H 78 7.730 7.730 7.581 0.149 18812 8871 1 17 . 1 1 79 79 THR N N 79 109.800 109.800 111.046 -1.246 18812 8872 1 17 . 1 1 79 79 THR HA H 79 4.100 4.100 3.836 0.264 18812 8873 1 17 . 1 1 79 79 THR C C 79 175.700 175.700 174.015 1.685 18812 8874 1 17 . 1 1 79 79 THR CA C 79 69.400 69.400 64.252 5.148 18812 8875 1 17 . 1 1 79 79 THR CB C 79 63.100 63.100 66.989 -3.889 18812 8876 1 17 . 1 1 79 79 THR H H 79 8.830 8.830 7.601 1.229 18812 8877 1 17 . 1 1 80 80 LYS N N 80 115.700 115.700 120.014 -4.314 18812 8878 1 17 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.295 -0.285 18812 8879 1 17 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.413 -1.712 18812 8880 1 17 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.822 -4.422 18812 8881 1 17 . 1 1 80 80 LYS H H 80 8.440 8.440 7.461 0.979 18812 8882 1 17 . 1 1 81 81 ASP N N 81 119.600 119.600 116.818 2.782 18812 8883 1 17 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.293 0.557 18812 8884 1 17 . 1 1 81 81 ASP C C 81 174.400 174.400 175.398 -0.998 18812 8885 1 17 . 1 1 81 81 ASP CA C 81 51.200 51.200 56.889 -5.689 18812 8886 1 17 . 1 1 81 81 ASP CB C 81 44.400 44.400 39.811 4.589 18812 8887 1 17 . 1 1 81 81 ASP H H 81 8.140 8.140 8.273 -0.133 18812 8888 1 17 . 1 1 82 82 GLU N N 82 120.500 120.500 121.505 -1.005 18812 8889 1 17 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.832 -0.382 18812 8890 1 17 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.366 0.834 18812 8891 1 17 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.562 -0.662 18812 8892 1 17 . 1 1 82 82 GLU H H 82 8.810 8.810 8.022 0.788 18812 8893 1 17 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.701 -0.051 18812 8894 1 17 . 1 1 83 83 PRO C C 83 176.900 176.900 176.284 0.616 18812 8895 1 17 . 1 1 83 83 PRO CA C 83 62.400 62.400 61.981 0.419 18812 8896 1 17 . 1 1 83 83 PRO CB C 83 32.600 32.600 31.814 0.786 18812 8897 1 17 . 1 1 84 84 THR N N 84 115.300 115.300 118.195 -2.895 18812 8898 1 17 . 1 1 84 84 THR HA H 84 4.590 4.590 4.416 0.174 18812 8899 1 17 . 1 1 84 84 THR C C 84 175.000 175.000 175.655 -0.655 18812 8900 1 17 . 1 1 84 84 THR CA C 84 59.800 59.800 59.757 0.043 18812 8901 1 17 . 1 1 84 84 THR CB C 84 71.700 71.700 71.157 0.543 18812 8902 1 17 . 1 1 84 84 THR H H 84 9.550 9.550 8.775 0.775 18812 8903 1 17 . 1 1 85 85 ALA N N 85 124.400 124.400 125.318 -0.918 18812 8904 1 17 . 1 1 85 85 ALA HA H 85 4.060 4.060 4.051 0.009 18812 8905 1 17 . 1 1 85 85 ALA C C 85 180.900 180.900 179.508 1.392 18812 8906 1 17 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.542 -0.242 18812 8907 1 17 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.519 -0.519 18812 8908 1 17 . 1 1 85 85 ALA H H 85 8.970 8.970 8.763 0.207 18812 8909 1 17 . 1 1 86 86 GLN N N 86 116.500 116.500 118.246 -1.746 18812 8910 1 17 . 1 1 86 86 GLN HA H 86 4.120 4.120 3.981 0.139 18812 8911 1 17 . 1 1 86 86 GLN CA C 86 58.900 58.900 59.544 -0.644 18812 8912 1 17 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.159 -0.059 18812 8913 1 17 . 1 1 86 86 GLN H H 86 8.680 8.680 8.293 0.387 18812 8914 1 17 . 1 1 87 87 ASP N N 87 122.300 122.300 120.209 2.091 18812 8915 1 17 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.346 0.254 18812 8916 1 17 . 1 1 87 87 ASP C C 87 178.200 178.200 178.760 -0.560 18812 8917 1 17 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.746 0.054 18812 8918 1 17 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.496 -0.796 18812 8919 1 17 . 1 1 87 87 ASP H H 87 7.820 7.820 7.606 0.214 18812 8920 1 17 . 1 1 88 88 ILE N N 88 120.900 120.900 119.621 1.279 18812 8921 1 17 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.731 -0.251 18812 8922 1 17 . 1 1 88 88 ILE C C 88 177.800 177.800 178.163 -0.363 18812 8923 1 17 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.536 1.264 18812 8924 1 17 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.690 0.610 18812 8925 1 17 . 1 1 88 88 ILE H H 88 8.160 8.160 8.203 -0.043 18812 8926 1 17 . 1 1 89 89 SER N N 89 113.200 113.200 115.498 -2.298 18812 8927 1 17 . 1 1 89 89 SER HA H 89 4.240 4.240 4.130 0.110 18812 8928 1 17 . 1 1 89 89 SER C C 89 177.200 177.200 176.954 0.246 18812 8929 1 17 . 1 1 89 89 SER CA C 89 61.700 61.700 61.935 -0.235 18812 8930 1 17 . 1 1 89 89 SER CB C 89 62.700 62.700 63.065 -0.365 18812 8931 1 17 . 1 1 89 89 SER H H 89 7.970 7.970 8.234 -0.264 18812 8932 1 17 . 1 1 90 90 ARG N N 90 123.100 123.100 121.700 1.400 18812 8933 1 17 . 1 1 90 90 ARG HA H 90 4.110 4.110 4.101 0.009 18812 8934 1 17 . 1 1 90 90 ARG CA C 90 59.900 59.900 57.949 1.951 18812 8935 1 17 . 1 1 90 90 ARG CB C 90 31.700 31.700 29.152 2.548 18812 8936 1 17 . 1 1 90 90 ARG H H 90 8.450 8.450 8.073 0.377 18812 8937 1 17 . 1 1 91 91 VAL N N 91 119.200 119.200 120.485 -1.285 18812 8938 1 17 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.667 -0.237 18812 8939 1 17 . 1 1 91 91 VAL C C 91 177.300 177.300 177.992 -0.692 18812 8940 1 17 . 1 1 91 91 VAL CA C 91 66.800 66.800 66.825 -0.025 18812 8941 1 17 . 1 1 91 91 VAL CB C 91 31.700 31.700 31.315 0.385 18812 8942 1 17 . 1 1 91 91 VAL H H 91 8.140 8.140 8.317 -0.177 18812 8943 1 17 . 1 1 92 92 ALA N N 92 121.100 121.100 120.598 0.502 18812 8944 1 17 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.980 -0.020 18812 8945 1 17 . 1 1 92 92 ALA C C 92 179.200 179.200 179.871 -0.671 18812 8946 1 17 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.353 0.547 18812 8947 1 17 . 1 1 92 92 ALA CB C 92 18.400 18.400 18.055 0.345 18812 8948 1 17 . 1 1 92 92 ALA H H 92 9.020 9.020 8.349 0.671 18812 8949 1 17 . 1 1 93 93 SER N N 93 112.100 112.100 114.317 -2.217 18812 8950 1 17 . 1 1 93 93 SER HA H 93 4.240 4.240 4.167 0.073 18812 8951 1 17 . 1 1 93 93 SER C C 93 177.300 177.300 176.972 0.328 18812 8952 1 17 . 1 1 93 93 SER CA C 93 62.000 62.000 61.620 0.380 18812 8953 1 17 . 1 1 93 93 SER CB C 93 62.700 62.700 63.009 -0.309 18812 8954 1 17 . 1 1 93 93 SER H H 93 8.730 8.730 8.189 0.541 18812 8955 1 17 . 1 1 94 94 ARG N N 94 122.500 122.500 122.693 -0.193 18812 8956 1 17 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.071 0.189 18812 8957 1 17 . 1 1 94 94 ARG C C 94 179.900 179.900 178.969 0.931 18812 8958 1 17 . 1 1 94 94 ARG CA C 94 57.800 57.800 58.262 -0.462 18812 8959 1 17 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.605 -0.405 18812 8960 1 17 . 1 1 94 94 ARG H H 94 7.520 7.520 8.107 -0.587 18812 8961 1 17 . 1 1 95 95 LEU N N 95 121.500 121.500 116.646 4.854 18812 8962 1 17 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.201 0.039 18812 8963 1 17 . 1 1 95 95 LEU C C 95 179.000 179.000 178.806 0.194 18812 8964 1 17 . 1 1 95 95 LEU CA C 95 58.100 58.100 57.786 0.314 18812 8965 1 17 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.621 1.179 18812 8966 1 17 . 1 1 95 95 LEU H H 95 8.350 8.350 8.116 0.234 18812 8967 1 17 . 1 1 96 96 ALA N N 96 121.900 121.900 122.354 -0.454 18812 8968 1 17 . 1 1 96 96 ALA HA H 96 4.320 4.320 3.960 0.360 18812 8969 1 17 . 1 1 96 96 ALA C C 96 182.200 182.200 178.899 3.301 18812 8970 1 17 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.834 0.266 18812 8971 1 17 . 1 1 96 96 ALA CB C 96 18.000 18.000 18.107 -0.107 18812 8972 1 17 . 1 1 96 96 ALA H H 96 8.740 8.740 8.040 0.700 18812 8973 1 17 . 1 1 97 97 ALA N N 97 121.400 121.400 118.703 2.697 18812 8974 1 17 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.061 0.169 18812 8975 1 17 . 1 1 97 97 ALA C C 97 179.200 179.200 178.493 0.707 18812 8976 1 17 . 1 1 97 97 ALA CA C 97 54.600 54.600 53.426 1.174 18812 8977 1 17 . 1 1 97 97 ALA CB C 97 18.000 18.000 19.172 -1.172 18812 8978 1 17 . 1 1 97 97 ALA H H 97 8.190 8.190 7.745 0.445 18812 8979 1 17 . 1 1 98 98 GLY N N 98 103.500 103.500 105.799 -2.299 18812 8980 1 17 . 1 1 98 98 GLY C C 98 173.700 173.700 174.479 -0.779 18812 8981 1 17 . 1 1 98 98 GLY CA C 98 44.800 44.800 44.634 0.166 18812 8982 1 17 . 1 1 98 98 GLY H H 98 7.710 7.710 7.823 -0.113 18812 8983 1 17 . 1 1 99 99 GLY N N 99 107.600 107.600 107.869 -0.269 18812 8984 1 17 . 1 1 99 99 GLY CA C 99 45.200 45.200 44.513 0.687 18812 8985 1 17 . 1 1 99 99 GLY H H 99 7.710 7.710 7.428 0.282 18812 8986 1 17 . 1 1 100 100 TRP N N 100 123.600 123.600 123.496 0.104 18812 8987 1 17 . 1 1 100 100 TRP CB C 100 52.300 52.300 29.030 23.270 18812 8988 1 17 . 1 1 100 100 TRP H H 100 7.820 7.820 8.503 -0.683 18812 8989 1 17 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.492 -0.562 18812 8990 1 17 . 1 1 101 101 PRO C C 101 175.600 175.600 175.676 -0.076 18812 8991 1 17 . 1 1 101 101 PRO CA C 101 62.600 62.600 64.123 -1.523 18812 8992 1 17 . 1 1 101 101 PRO CB C 101 34.200 34.200 32.636 1.564 18812 8993 1 17 . 1 1 102 102 LEU N N 102 122.800 122.800 120.577 2.223 18812 8994 1 17 . 1 1 102 102 LEU H H 102 8.470 8.470 7.954 0.516 18812 8995 1 17 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.529 0.131 18812 8996 1 17 . 1 1 103 103 ALA C C 103 177.100 177.100 176.807 0.293 18812 8997 1 17 . 1 1 103 103 ALA CA C 103 51.500 51.500 50.887 0.613 18812 8998 1 17 . 1 1 103 103 ALA CB C 103 21.700 21.700 20.116 1.584 18812 8999 1 17 . 1 1 104 104 GLY N N 104 108.500 108.500 106.810 1.690 18812 9000 1 17 . 1 1 104 104 GLY C C 104 173.900 173.900 174.986 -1.086 18812 9001 1 17 . 1 1 104 104 GLY CA C 104 45.900 45.900 46.212 -0.312 18812 9002 1 17 . 1 1 104 104 GLY H H 104 8.700 8.700 8.286 0.414 18812 9003 1 17 . 1 1 105 105 VAL N N 105 116.700 116.700 114.641 2.059 18812 9004 1 17 . 1 1 105 105 VAL HA H 105 4.220 4.220 3.960 0.260 18812 9005 1 17 . 1 1 105 105 VAL C C 105 174.700 174.700 175.728 -1.028 18812 9006 1 17 . 1 1 105 105 VAL CA C 105 61.000 61.000 62.871 -1.871 18812 9007 1 17 . 1 1 105 105 VAL CB C 105 33.100 33.100 32.016 1.084 18812 9008 1 17 . 1 1 105 105 VAL H H 105 7.660 7.660 7.618 0.042 18812 9009 1 17 . 1 1 106 106 ASP N N 106 125.100 125.100 118.010 7.090 18812 9010 1 17 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.719 -0.049 18812 9011 1 17 . 1 1 106 106 ASP C C 106 176.500 176.500 175.720 0.780 18812 9012 1 17 . 1 1 106 106 ASP CA C 106 54.000 54.000 53.786 0.214 18812 9013 1 17 . 1 1 106 106 ASP CB C 106 41.300 41.300 43.527 -2.227 18812 9014 1 17 . 1 1 106 106 ASP H H 106 8.600 8.600 7.614 0.986 18812 9015 1 17 . 1 1 107 107 SER N N 107 117.400 117.400 117.748 -0.348 18812 9016 1 17 . 1 1 107 107 SER HA H 107 4.320 4.320 4.741 -0.421 18812 9017 1 17 . 1 1 107 107 SER C C 107 175.400 175.400 175.983 -0.583 18812 9018 1 17 . 1 1 107 107 SER CA C 107 59.500 59.500 59.252 0.249 18812 9019 1 17 . 1 1 107 107 SER CB C 107 63.200 63.200 64.652 -1.452 18812 9020 1 17 . 1 1 107 107 SER H H 107 8.560 8.560 8.711 -0.151 18812 9021 1 17 . 1 1 108 108 THR N N 108 115.100 115.100 120.442 -5.342 18812 9022 1 17 . 1 1 108 108 THR HA H 108 4.260 4.260 4.128 0.132 18812 9023 1 17 . 1 1 108 108 THR C C 108 174.800 174.800 175.380 -0.580 18812 9024 1 17 . 1 1 108 108 THR CA C 108 63.000 63.000 65.219 -2.220 18812 9025 1 17 . 1 1 108 108 THR CB C 108 69.300 69.300 68.653 0.647 18812 9026 1 17 . 1 1 108 108 THR H H 108 8.230 8.230 8.153 0.077 18812 9027 1 17 . 1 1 109 109 ALA N N 109 125.000 125.000 122.468 2.532 18812 9028 1 17 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.285 0.075 18812 9029 1 17 . 1 1 109 109 ALA C C 109 177.500 177.500 177.164 0.336 18812 9030 1 17 . 1 1 109 109 ALA CA C 109 52.500 52.500 52.339 0.161 18812 9031 1 17 . 1 1 109 109 ALA CB C 109 19.100 19.100 18.904 0.196 18812 9032 1 17 . 1 1 109 109 ALA H H 109 8.020 8.020 8.196 -0.176 18812 9033 1 17 . 1 1 110 110 LEU N N 110 119.400 119.400 119.864 -0.464 18812 9034 1 17 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.471 -0.121 18812 9035 1 17 . 1 1 110 110 LEU C C 110 176.800 176.800 176.279 0.521 18812 9036 1 17 . 1 1 110 110 LEU CA C 110 55.000 55.000 54.363 0.637 18812 9037 1 17 . 1 1 110 110 LEU CB C 110 42.000 42.000 40.016 1.984 18812 9038 1 17 . 1 1 110 110 LEU H H 110 7.880 7.880 7.534 0.346 18812 9039 1 17 . 1 1 111 111 ASN N N 111 118.700 118.700 120.570 -1.870 18812 9040 1 17 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.561 0.169 18812 9041 1 17 . 1 1 111 111 ASN C C 111 173.600 173.600 175.444 -1.844 18812 9042 1 17 . 1 1 111 111 ASN CA C 111 52.900 52.900 54.044 -1.144 18812 9043 1 17 . 1 1 111 111 ASN CB C 111 39.000 39.000 39.205 -0.205 18812 9044 1 17 . 1 1 111 111 ASN H H 111 8.230 8.230 8.086 0.144 18812 9045 1 18 . 1 1 10 10 GLY C C 10 174.100 174.100 173.936 0.164 18812 9046 1 18 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.301 0.999 18812 9047 1 18 . 1 1 10 10 GLY H H 10 8.500 8.500 8.153 0.347 18812 9048 1 18 . 1 1 11 11 THR N N 11 113.700 113.700 114.406 -0.706 18812 9049 1 18 . 1 1 11 11 THR HA H 11 4.350 4.350 4.459 -0.109 18812 9050 1 18 . 1 1 11 11 THR C C 11 174.700 174.700 173.303 1.397 18812 9051 1 18 . 1 1 11 11 THR CA C 11 62.000 62.000 61.826 0.174 18812 9052 1 18 . 1 1 11 11 THR CB C 11 69.800 69.800 70.103 -0.303 18812 9053 1 18 . 1 1 11 11 THR H H 11 8.100 8.100 8.118 -0.018 18812 9054 1 18 . 1 1 12 12 LEU N N 12 124.100 124.100 123.423 0.677 18812 9055 1 18 . 1 1 12 12 LEU C C 12 177.600 177.600 176.216 1.384 18812 9056 1 18 . 1 1 12 12 LEU CA C 12 55.400 55.400 54.841 0.559 18812 9057 1 18 . 1 1 12 12 LEU CB C 12 42.000 42.000 43.809 -1.809 18812 9058 1 18 . 1 1 12 12 LEU H H 12 8.380 8.380 8.479 -0.099 18812 9059 1 18 . 1 1 13 13 GLU N N 13 121.500 121.500 125.950 -4.450 18812 9060 1 18 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.244 -0.024 18812 9061 1 18 . 1 1 13 13 GLU C C 13 176.300 176.300 175.602 0.698 18812 9062 1 18 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.994 -0.094 18812 9063 1 18 . 1 1 13 13 GLU CB C 13 29.600 29.600 29.015 0.585 18812 9064 1 18 . 1 1 13 13 GLU H H 13 8.440 8.440 8.817 -0.377 18812 9065 1 18 . 1 1 14 14 ALA N N 14 124.300 124.300 126.274 -1.974 18812 9066 1 18 . 1 1 14 14 ALA CA C 14 52.600 52.600 52.157 0.443 18812 9067 1 18 . 1 1 14 14 ALA CB C 14 19.000 19.000 20.723 -1.723 18812 9068 1 18 . 1 1 14 14 ALA H H 14 8.280 8.280 7.840 0.440 18812 9069 1 18 . 1 1 15 15 GLN N N 15 118.700 118.700 121.806 -3.106 18812 9070 1 18 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.390 0.010 18812 9071 1 18 . 1 1 15 15 GLN C C 15 176.300 176.300 175.599 0.701 18812 9072 1 18 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.060 0.740 18812 9073 1 18 . 1 1 15 15 GLN CB C 15 29.300 29.300 29.227 0.073 18812 9074 1 18 . 1 1 15 15 GLN H H 15 8.360 8.360 8.735 -0.375 18812 9075 1 18 . 1 1 16 16 THR N N 16 114.800 114.800 117.547 -2.747 18812 9076 1 18 . 1 1 16 16 THR C C 16 174.400 174.400 174.018 0.382 18812 9077 1 18 . 1 1 16 16 THR CA C 16 62.000 62.000 63.390 -1.390 18812 9078 1 18 . 1 1 16 16 THR CB C 16 69.700 69.700 68.668 1.032 18812 9079 1 18 . 1 1 16 16 THR H H 16 8.200 8.200 7.815 0.385 18812 9080 1 18 . 1 1 17 17 GLN N N 17 122.200 122.200 127.604 -5.404 18812 9081 1 18 . 1 1 17 17 GLN C C 17 175.900 175.900 176.185 -0.285 18812 9082 1 18 . 1 1 17 17 GLN CA C 17 55.500 55.500 54.583 0.917 18812 9083 1 18 . 1 1 17 17 GLN CB C 17 29.600 29.600 30.377 -0.777 18812 9084 1 18 . 1 1 17 17 GLN H H 17 8.430 8.430 8.448 -0.018 18812 9085 1 18 . 1 1 18 18 GLY N N 18 110.100 110.100 115.643 -5.543 18812 9086 1 18 . 1 1 18 18 GLY CA C 18 44.500 44.500 45.433 -0.933 18812 9087 1 18 . 1 1 18 18 GLY H H 18 8.360 8.360 8.639 -0.279 18812 9088 1 18 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.391 0.069 18812 9089 1 18 . 1 1 19 19 PRO C C 19 177.700 177.700 176.474 1.226 18812 9090 1 18 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.211 0.389 18812 9091 1 18 . 1 1 19 19 PRO CB C 19 31.900 31.900 31.968 -0.068 18812 9092 1 18 . 1 1 20 20 GLY N N 20 109.600 109.600 107.651 1.949 18812 9093 1 18 . 1 1 20 20 GLY C C 20 174.100 174.100 172.555 1.545 18812 9094 1 18 . 1 1 20 20 GLY CA C 20 45.200 45.200 44.940 0.260 18812 9095 1 18 . 1 1 20 20 GLY H H 20 8.630 8.630 7.629 1.001 18812 9096 1 18 . 1 1 21 21 SER N N 21 115.300 115.300 119.776 -4.476 18812 9097 1 18 . 1 1 21 21 SER HA H 21 4.460 4.460 5.012 -0.552 18812 9098 1 18 . 1 1 21 21 SER C C 21 174.100 174.100 173.232 0.868 18812 9099 1 18 . 1 1 21 21 SER CA C 21 58.300 58.300 55.715 2.586 18812 9100 1 18 . 1 1 21 21 SER CB C 21 63.900 63.900 62.962 0.938 18812 9101 1 18 . 1 1 21 21 SER H H 21 8.150 8.150 8.391 -0.241 18812 9102 1 18 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.420 0.020 18812 9103 1 18 . 1 1 22 22 PRO C C 22 176.800 176.800 175.711 1.089 18812 9104 1 18 . 1 1 22 22 PRO CA C 22 63.100 63.100 62.970 0.130 18812 9105 1 18 . 1 1 22 22 PRO CB C 22 32.100 32.100 30.509 1.591 18812 9106 1 18 . 1 1 23 23 GLU N N 23 120.900 120.900 121.306 -0.406 18812 9107 1 18 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.490 -0.210 18812 9108 1 18 . 1 1 23 23 GLU C C 23 177.000 177.000 177.128 -0.128 18812 9109 1 18 . 1 1 23 23 GLU CA C 23 56.600 56.600 55.519 1.081 18812 9110 1 18 . 1 1 23 23 GLU CB C 23 30.400 30.400 31.569 -1.169 18812 9111 1 18 . 1 1 23 23 GLU H H 23 8.630 8.630 8.305 0.325 18812 9112 1 18 . 1 1 24 24 GLY N N 24 109.800 109.800 112.202 -2.402 18812 9113 1 18 . 1 1 24 24 GLY C C 24 173.600 173.600 174.193 -0.593 18812 9114 1 18 . 1 1 24 24 GLY CA C 24 45.100 45.100 45.319 -0.219 18812 9115 1 18 . 1 1 24 24 GLY H H 24 8.450 8.450 8.613 -0.163 18812 9116 1 18 . 1 1 25 25 VAL N N 25 120.600 120.600 118.555 2.045 18812 9117 1 18 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.403 0.057 18812 9118 1 18 . 1 1 25 25 VAL CA C 25 59.700 59.700 59.556 0.144 18812 9119 1 18 . 1 1 25 25 VAL CB C 25 32.600 32.600 32.372 0.228 18812 9120 1 18 . 1 1 25 25 VAL H H 25 7.990 7.990 7.494 0.496 18812 9121 1 18 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.483 0.037 18812 9122 1 18 . 1 1 27 27 PRO C C 27 177.200 177.200 176.715 0.485 18812 9123 1 18 . 1 1 27 27 PRO CA C 27 63.100 63.100 64.430 -1.330 18812 9124 1 18 . 1 1 27 27 PRO CB C 27 32.000 32.000 31.812 0.188 18812 9125 1 18 . 1 1 28 28 THR N N 28 113.000 113.000 112.540 0.460 18812 9126 1 18 . 1 1 28 28 THR HA H 28 4.270 4.270 4.124 0.146 18812 9127 1 18 . 1 1 28 28 THR C C 28 174.400 174.400 174.862 -0.462 18812 9128 1 18 . 1 1 28 28 THR CA C 28 62.000 62.000 64.831 -2.830 18812 9129 1 18 . 1 1 28 28 THR CB C 28 69.700 69.700 68.207 1.493 18812 9130 1 18 . 1 1 28 28 THR H H 28 8.160 8.160 8.626 -0.466 18812 9131 1 18 . 1 1 29 29 ASP N N 29 122.100 122.100 120.097 2.003 18812 9132 1 18 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.935 -0.355 18812 9133 1 18 . 1 1 29 29 ASP CA C 29 54.300 54.300 53.698 0.602 18812 9134 1 18 . 1 1 29 29 ASP CB C 29 40.900 40.900 41.151 -0.251 18812 9135 1 18 . 1 1 29 29 ASP H H 29 8.290 8.290 7.891 0.399 18812 9136 1 18 . 1 1 30 30 ARG N N 30 120.300 120.300 118.802 1.498 18812 9137 1 18 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.138 0.052 18812 9138 1 18 . 1 1 30 30 ARG C C 30 175.600 175.600 175.583 0.017 18812 9139 1 18 . 1 1 30 30 ARG CA C 30 56.200 56.200 56.382 -0.182 18812 9140 1 18 . 1 1 30 30 ARG CB C 30 30.800 30.800 30.265 0.535 18812 9141 1 18 . 1 1 30 30 ARG H H 30 8.070 8.070 7.929 0.141 18812 9142 1 18 . 1 1 31 31 PHE N N 31 120.500 120.500 118.057 2.443 18812 9143 1 18 . 1 1 31 31 PHE CB C 31 38.800 38.800 40.033 -1.234 18812 9144 1 18 . 1 1 31 31 PHE H H 31 8.240 8.240 7.654 0.586 18812 9145 1 18 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.338 0.102 18812 9146 1 18 . 1 1 32 32 PRO C C 32 177.200 177.200 176.257 0.943 18812 9147 1 18 . 1 1 32 32 PRO CA C 32 63.400 63.400 63.617 -0.217 18812 9148 1 18 . 1 1 32 32 PRO CB C 32 31.700 31.700 31.934 -0.234 18812 9149 1 18 . 1 1 33 33 LEU N N 33 121.000 121.000 119.641 1.359 18812 9150 1 18 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.617 -0.287 18812 9151 1 18 . 1 1 33 33 LEU CA C 33 55.600 55.600 53.572 2.028 18812 9152 1 18 . 1 1 33 33 LEU CB C 33 42.100 42.100 43.006 -0.906 18812 9153 1 18 . 1 1 33 33 LEU H H 33 8.290 8.290 7.777 0.513 18812 9154 1 18 . 1 1 34 34 LEU N N 34 122.100 122.100 120.072 2.028 18812 9155 1 18 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.529 -0.219 18812 9156 1 18 . 1 1 34 34 LEU C C 34 177.300 177.300 176.344 0.956 18812 9157 1 18 . 1 1 34 34 LEU CA C 34 55.200 55.200 54.774 0.426 18812 9158 1 18 . 1 1 34 34 LEU CB C 34 41.900 41.900 39.672 2.228 18812 9159 1 18 . 1 1 34 34 LEU H H 34 8.110 8.110 8.683 -0.573 18812 9160 1 18 . 1 1 35 35 ALA N N 35 123.400 123.400 122.389 1.011 18812 9161 1 18 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.417 -0.137 18812 9162 1 18 . 1 1 35 35 ALA C C 35 177.600 177.600 177.831 -0.231 18812 9163 1 18 . 1 1 35 35 ALA CA C 35 52.700 52.700 51.912 0.788 18812 9164 1 18 . 1 1 35 35 ALA CB C 35 18.800 18.800 19.671 -0.871 18812 9165 1 18 . 1 1 35 35 ALA H H 35 8.140 8.140 8.064 0.076 18812 9166 1 18 . 1 1 36 36 LEU N N 36 120.000 120.000 115.801 4.199 18812 9167 1 18 . 1 1 36 36 LEU HA H 36 4.260 4.260 3.715 0.545 18812 9168 1 18 . 1 1 36 36 LEU CA C 36 55.500 55.500 56.919 -1.419 18812 9169 1 18 . 1 1 36 36 LEU CB C 36 42.000 42.000 40.349 1.651 18812 9170 1 18 . 1 1 36 36 LEU H H 36 7.990 7.990 7.977 0.013 18812 9171 1 18 . 1 1 37 37 LEU N N 37 122.700 122.700 116.486 6.214 18812 9172 1 18 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.403 -0.023 18812 9173 1 18 . 1 1 37 37 LEU C C 37 177.100 177.100 176.283 0.817 18812 9174 1 18 . 1 1 37 37 LEU CA C 37 55.000 55.000 53.451 1.549 18812 9175 1 18 . 1 1 37 37 LEU CB C 37 42.100 42.100 42.639 -0.539 18812 9176 1 18 . 1 1 37 37 LEU H H 37 8.190 8.190 7.936 0.254 18812 9177 1 18 . 1 1 38 38 ARG N N 38 121.600 121.600 122.089 -0.489 18812 9178 1 18 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.661 -0.191 18812 9179 1 18 . 1 1 38 38 ARG C C 38 176.200 176.200 176.001 0.199 18812 9180 1 18 . 1 1 38 38 ARG CA C 38 55.100 55.100 54.523 0.577 18812 9181 1 18 . 1 1 38 38 ARG CB C 38 31.200 31.200 32.324 -1.124 18812 9182 1 18 . 1 1 38 38 ARG H H 38 8.040 8.040 8.395 -0.355 18812 9183 1 18 . 1 1 39 39 ARG N N 39 123.600 123.600 121.477 2.123 18812 9184 1 18 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.288 0.082 18812 9185 1 18 . 1 1 39 39 ARG C C 39 175.500 175.500 176.261 -0.761 18812 9186 1 18 . 1 1 39 39 ARG CA C 39 56.700 56.700 57.934 -1.234 18812 9187 1 18 . 1 1 39 39 ARG CB C 39 31.200 31.200 30.432 0.768 18812 9188 1 18 . 1 1 39 39 ARG H H 39 8.840 8.840 8.635 0.205 18812 9189 1 18 . 1 1 40 40 THR N N 40 113.900 113.900 111.600 2.300 18812 9190 1 18 . 1 1 40 40 THR HA H 40 4.770 4.770 4.341 0.429 18812 9191 1 18 . 1 1 40 40 THR C C 40 175.300 175.300 174.045 1.255 18812 9192 1 18 . 1 1 40 40 THR CA C 40 59.500 59.500 60.858 -1.358 18812 9193 1 18 . 1 1 40 40 THR CB C 40 71.700 71.700 69.249 2.451 18812 9194 1 18 . 1 1 40 40 THR H H 40 8.150 8.150 7.489 0.661 18812 9195 1 18 . 1 1 41 41 LEU N N 41 123.100 123.100 128.375 -5.275 18812 9196 1 18 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.323 0.147 18812 9197 1 18 . 1 1 41 41 LEU C C 41 179.700 179.700 177.239 2.461 18812 9198 1 18 . 1 1 41 41 LEU CA C 41 54.900 54.900 55.186 -0.286 18812 9199 1 18 . 1 1 41 41 LEU CB C 41 43.000 43.000 40.247 2.753 18812 9200 1 18 . 1 1 41 41 LEU H H 41 9.480 9.480 8.932 0.548 18812 9201 1 18 . 1 1 42 42 THR N N 42 115.100 115.100 119.644 -4.544 18812 9202 1 18 . 1 1 42 42 THR HA H 42 4.580 4.580 4.286 0.294 18812 9203 1 18 . 1 1 42 42 THR C C 42 175.400 175.400 175.676 -0.276 18812 9204 1 18 . 1 1 42 42 THR CA C 42 60.900 60.900 61.273 -0.373 18812 9205 1 18 . 1 1 42 42 THR CB C 42 70.600 70.600 71.198 -0.598 18812 9206 1 18 . 1 1 42 42 THR H H 42 8.790 8.790 7.983 0.807 18812 9207 1 18 . 1 1 43 43 GLU N N 43 121.400 121.400 122.332 -0.932 18812 9208 1 18 . 1 1 43 43 GLU HA H 43 4.020 4.020 4.009 0.011 18812 9209 1 18 . 1 1 43 43 GLU C C 43 179.100 179.100 178.288 0.812 18812 9210 1 18 . 1 1 43 43 GLU CA C 43 59.700 59.700 60.148 -0.448 18812 9211 1 18 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.510 -0.610 18812 9212 1 18 . 1 1 43 43 GLU H H 43 9.020 9.020 9.004 0.016 18812 9213 1 18 . 1 1 44 44 GLU N N 44 118.300 118.300 118.302 -0.002 18812 9214 1 18 . 1 1 44 44 GLU HA H 44 4.020 4.020 3.979 0.041 18812 9215 1 18 . 1 1 44 44 GLU C C 44 179.700 179.700 179.119 0.581 18812 9216 1 18 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.628 0.572 18812 9217 1 18 . 1 1 44 44 GLU CB C 44 29.000 29.000 28.966 0.034 18812 9218 1 18 . 1 1 44 44 GLU H H 44 8.810 8.810 8.345 0.465 18812 9219 1 18 . 1 1 45 45 GLN N N 45 119.300 119.300 118.869 0.431 18812 9220 1 18 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.298 -0.078 18812 9221 1 18 . 1 1 45 45 GLN C C 45 178.500 178.500 178.705 -0.205 18812 9222 1 18 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.677 -0.377 18812 9223 1 18 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.488 0.712 18812 9224 1 18 . 1 1 45 45 GLN H H 45 7.800 7.800 8.221 -0.421 18812 9225 1 18 . 1 1 46 46 VAL N N 46 121.000 121.000 120.807 0.193 18812 9226 1 18 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.591 -0.191 18812 9227 1 18 . 1 1 46 46 VAL C C 46 177.500 177.500 177.855 -0.355 18812 9228 1 18 . 1 1 46 46 VAL CA C 46 67.600 67.600 67.135 0.465 18812 9229 1 18 . 1 1 46 46 VAL CB C 46 31.300 31.300 31.561 -0.261 18812 9230 1 18 . 1 1 46 46 VAL H H 46 8.420 8.420 8.470 -0.050 18812 9231 1 18 . 1 1 47 47 GLN N N 47 115.900 115.900 117.571 -1.671 18812 9232 1 18 . 1 1 47 47 GLN HA H 47 3.890 3.890 3.974 -0.084 18812 9233 1 18 . 1 1 47 47 GLN C C 47 178.500 178.500 178.125 0.375 18812 9234 1 18 . 1 1 47 47 GLN CA C 47 58.800 58.800 58.742 0.058 18812 9235 1 18 . 1 1 47 47 GLN CB C 47 27.700 27.700 28.129 -0.429 18812 9236 1 18 . 1 1 47 47 GLN H H 47 7.470 7.470 8.347 -0.877 18812 9237 1 18 . 1 1 48 48 GLU N N 48 121.400 121.400 122.015 -0.615 18812 9238 1 18 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.039 0.081 18812 9239 1 18 . 1 1 48 48 GLU C C 48 178.500 178.500 178.816 -0.316 18812 9240 1 18 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.538 -0.238 18812 9241 1 18 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.645 0.155 18812 9242 1 18 . 1 1 48 48 GLU H H 48 7.940 7.940 8.110 -0.170 18812 9243 1 18 . 1 1 49 49 VAL N N 49 120.300 120.300 120.008 0.292 18812 9244 1 18 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.715 -0.125 18812 9245 1 18 . 1 1 49 49 VAL CA C 49 67.200 67.200 67.318 -0.118 18812 9246 1 18 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.615 -0.115 18812 9247 1 18 . 1 1 49 49 VAL H H 49 8.580 8.580 8.251 0.329 18812 9248 1 18 . 1 1 50 50 VAL N N 50 118.700 118.700 118.143 0.557 18812 9249 1 18 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.695 -0.475 18812 9250 1 18 . 1 1 50 50 VAL C C 50 178.600 178.600 177.532 1.068 18812 9251 1 18 . 1 1 50 50 VAL CA C 50 67.500 67.500 65.695 1.805 18812 9252 1 18 . 1 1 50 50 VAL CB C 50 31.400 31.400 30.544 0.856 18812 9253 1 18 . 1 1 50 50 VAL H H 50 8.350 8.350 8.080 0.270 18812 9254 1 18 . 1 1 51 51 ALA N N 51 123.200 123.200 122.623 0.577 18812 9255 1 18 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.073 -0.243 18812 9256 1 18 . 1 1 51 51 ALA C C 51 180.100 180.100 179.809 0.291 18812 9257 1 18 . 1 1 51 51 ALA CA C 51 55.300 55.300 55.108 0.192 18812 9258 1 18 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.462 -0.762 18812 9259 1 18 . 1 1 51 51 ALA H H 51 8.320 8.320 7.912 0.408 18812 9260 1 18 . 1 1 52 52 LYS N N 52 117.200 117.200 117.520 -0.320 18812 9261 1 18 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.106 0.014 18812 9262 1 18 . 1 1 52 52 LYS C C 52 180.200 180.200 179.006 1.194 18812 9263 1 18 . 1 1 52 52 LYS CA C 52 59.200 59.200 58.246 0.954 18812 9264 1 18 . 1 1 52 52 LYS CB C 52 32.700 32.700 31.989 0.711 18812 9265 1 18 . 1 1 52 52 LYS H H 52 8.170 8.170 7.900 0.270 18812 9266 1 18 . 1 1 53 53 LEU N N 53 118.600 118.600 118.650 -0.050 18812 9267 1 18 . 1 1 53 53 LEU HA H 53 3.390 3.390 4.008 -0.618 18812 9268 1 18 . 1 1 53 53 LEU C C 53 176.300 176.300 177.720 -1.420 18812 9269 1 18 . 1 1 53 53 LEU CA C 53 56.300 56.300 56.369 -0.069 18812 9270 1 18 . 1 1 53 53 LEU CB C 53 44.300 44.300 40.538 3.762 18812 9271 1 18 . 1 1 53 53 LEU H H 53 8.170 8.170 8.400 -0.230 18812 9272 1 18 . 1 1 54 54 THR N N 54 103.000 103.000 107.801 -4.801 18812 9273 1 18 . 1 1 54 54 THR HA H 54 3.490 3.490 4.214 -0.724 18812 9274 1 18 . 1 1 54 54 THR C C 54 173.600 173.600 174.520 -0.920 18812 9275 1 18 . 1 1 54 54 THR CA C 54 60.800 60.800 62.743 -1.943 18812 9276 1 18 . 1 1 54 54 THR CB C 54 69.700 69.700 68.978 0.722 18812 9277 1 18 . 1 1 54 54 THR H H 54 6.990 6.990 7.607 -0.617 18812 9278 1 18 . 1 1 55 55 ASP N N 55 126.400 126.400 123.059 3.341 18812 9279 1 18 . 1 1 55 55 ASP HA H 55 4.630 4.630 4.926 -0.296 18812 9280 1 18 . 1 1 55 55 ASP CA C 55 52.600 52.600 50.508 2.092 18812 9281 1 18 . 1 1 55 55 ASP CB C 55 42.200 42.200 42.490 -0.290 18812 9282 1 18 . 1 1 55 55 ASP H H 55 6.900 6.900 7.616 -0.716 18812 9283 1 18 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.244 0.096 18812 9284 1 18 . 1 1 56 56 PRO C C 56 178.500 178.500 178.212 0.288 18812 9285 1 18 . 1 1 56 56 PRO CA C 56 65.100 65.100 64.648 0.452 18812 9286 1 18 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.236 -0.136 18812 9287 1 18 . 1 1 57 57 GLU N N 57 115.700 115.700 120.301 -4.601 18812 9288 1 18 . 1 1 57 57 GLU C C 57 176.300 176.300 178.815 -2.515 18812 9289 1 18 . 1 1 57 57 GLU CA C 57 59.600 59.600 59.504 0.096 18812 9290 1 18 . 1 1 57 57 GLU CB C 57 29.400 29.400 29.272 0.128 18812 9291 1 18 . 1 1 57 57 GLU H H 57 8.640 8.640 8.431 0.209 18812 9292 1 18 . 1 1 58 58 SER N N 58 115.000 115.000 114.407 0.593 18812 9293 1 18 . 1 1 58 58 SER HA H 58 4.260 4.260 4.196 0.064 18812 9294 1 18 . 1 1 58 58 SER C C 58 177.400 177.400 177.139 0.261 18812 9295 1 18 . 1 1 58 58 SER CA C 58 62.900 62.900 62.043 0.857 18812 9296 1 18 . 1 1 58 58 SER CB C 58 69.300 69.300 62.764 6.536 18812 9297 1 18 . 1 1 58 58 SER H H 58 8.180 8.180 8.685 -0.505 18812 9298 1 18 . 1 1 60 60 ALA N N 60 123.000 123.000 123.713 -0.713 18812 9299 1 18 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.719 -0.089 18812 9300 1 18 . 1 1 60 60 ALA C C 60 180.600 180.600 179.294 1.306 18812 9301 1 18 . 1 1 60 60 ALA CA C 60 53.600 53.600 54.038 -0.438 18812 9302 1 18 . 1 1 60 60 ALA CB C 60 19.200 19.200 19.289 -0.089 18812 9303 1 18 . 1 1 60 60 ALA H H 60 8.020 8.020 7.544 0.476 18812 9304 1 18 . 1 1 61 61 GLN N N 61 114.000 114.000 117.847 -3.847 18812 9305 1 18 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.118 -0.098 18812 9306 1 18 . 1 1 61 61 GLN C C 61 176.900 176.900 178.056 -1.156 18812 9307 1 18 . 1 1 61 61 GLN CA C 61 54.900 54.900 57.764 -2.864 18812 9308 1 18 . 1 1 61 61 GLN CB C 61 28.500 28.500 28.287 0.213 18812 9309 1 18 . 1 1 61 61 GLN H H 61 7.500 7.500 8.159 -0.659 18812 9310 1 18 . 1 1 62 62 ILE N N 62 123.900 123.900 116.452 7.448 18812 9311 1 18 . 1 1 62 62 ILE HA H 62 3.780 3.780 4.010 -0.230 18812 9312 1 18 . 1 1 62 62 ILE C C 62 176.800 176.800 177.236 -0.436 18812 9313 1 18 . 1 1 62 62 ILE CA C 62 65.900 65.900 63.182 2.717 18812 9314 1 18 . 1 1 62 62 ILE CB C 62 37.700 37.700 38.148 -0.448 18812 9315 1 18 . 1 1 62 62 ILE H H 62 7.240 7.240 7.709 -0.469 18812 9316 1 18 . 1 1 63 63 ASP N N 63 114.100 114.100 118.447 -4.347 18812 9317 1 18 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.770 0.040 18812 9318 1 18 . 1 1 63 63 ASP C C 63 177.500 177.500 177.410 0.090 18812 9319 1 18 . 1 1 63 63 ASP CA C 63 51.700 51.700 53.609 -1.909 18812 9320 1 18 . 1 1 63 63 ASP CB C 63 40.300 40.300 42.768 -2.468 18812 9321 1 18 . 1 1 63 63 ASP H H 63 7.860 7.860 7.793 0.067 18812 9322 1 18 . 1 1 64 64 GLY N N 64 104.800 104.800 107.978 -3.178 18812 9323 1 18 . 1 1 64 64 GLY C C 64 173.400 173.400 173.938 -0.538 18812 9324 1 18 . 1 1 64 64 GLY CA C 64 45.900 45.900 45.657 0.243 18812 9325 1 18 . 1 1 64 64 GLY H H 64 7.860 7.860 8.540 -0.680 18812 9326 1 18 . 1 1 65 65 VAL N N 65 117.700 117.700 115.509 2.191 18812 9327 1 18 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.680 -0.180 18812 9328 1 18 . 1 1 65 65 VAL C C 65 173.300 173.300 174.175 -0.875 18812 9329 1 18 . 1 1 65 65 VAL CA C 65 60.100 60.100 59.903 0.197 18812 9330 1 18 . 1 1 65 65 VAL CB C 65 36.100 36.100 35.357 0.743 18812 9331 1 18 . 1 1 65 65 VAL H H 65 7.550 7.550 7.520 0.030 18812 9332 1 18 . 1 1 66 66 VAL N N 66 129.500 129.500 122.331 7.169 18812 9333 1 18 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.491 0.239 18812 9334 1 18 . 1 1 66 66 VAL C C 66 174.300 174.300 174.676 -0.376 18812 9335 1 18 . 1 1 66 66 VAL CA C 66 61.500 61.500 61.725 -0.225 18812 9336 1 18 . 1 1 66 66 VAL CB C 66 31.800 31.800 32.847 -1.047 18812 9337 1 18 . 1 1 66 66 VAL H H 66 8.540 8.540 8.354 0.186 18812 9338 1 18 . 1 1 67 67 SER N N 67 123.500 123.500 124.235 -0.735 18812 9339 1 18 . 1 1 67 67 SER HA H 67 5.510 5.510 4.791 0.719 18812 9340 1 18 . 1 1 67 67 SER CA C 67 55.700 55.700 56.790 -1.090 18812 9341 1 18 . 1 1 67 67 SER CB C 67 66.100 66.100 66.278 -0.178 18812 9342 1 18 . 1 1 67 67 SER H H 67 9.370 9.370 8.148 1.222 18812 9343 1 18 . 1 1 68 68 LYS C C 68 177.100 177.100 178.230 -1.130 18812 9344 1 18 . 1 1 69 69 ASP N N 69 114.800 114.800 119.289 -4.489 18812 9345 1 18 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.636 -0.186 18812 9346 1 18 . 1 1 69 69 ASP C C 69 178.800 178.800 177.892 0.908 18812 9347 1 18 . 1 1 69 69 ASP CA C 69 56.900 56.900 57.474 -0.574 18812 9348 1 18 . 1 1 69 69 ASP CB C 69 40.400 40.400 40.238 0.162 18812 9349 1 18 . 1 1 69 69 ASP H H 69 8.420 8.420 8.505 -0.085 18812 9350 1 18 . 1 1 70 70 GLU N N 70 120.300 120.300 120.355 -0.055 18812 9351 1 18 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.165 -0.015 18812 9352 1 18 . 1 1 70 70 GLU C C 70 178.000 178.000 178.377 -0.377 18812 9353 1 18 . 1 1 70 70 GLU CA C 70 59.200 59.200 59.776 -0.576 18812 9354 1 18 . 1 1 70 70 GLU CB C 70 28.600 28.600 28.959 -0.359 18812 9355 1 18 . 1 1 70 70 GLU H H 70 7.600 7.600 8.601 -1.001 18812 9356 1 18 . 1 1 71 71 ILE N N 71 119.100 119.100 121.187 -2.087 18812 9357 1 18 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.697 -0.267 18812 9358 1 18 . 1 1 71 71 ILE C C 71 177.300 177.300 178.143 -0.843 18812 9359 1 18 . 1 1 71 71 ILE CA C 71 67.300 67.300 65.017 2.283 18812 9360 1 18 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.633 0.167 18812 9361 1 18 . 1 1 71 71 ILE H H 71 8.050 8.050 7.489 0.561 18812 9362 1 18 . 1 1 72 72 GLU N N 72 116.200 116.200 120.031 -3.831 18812 9363 1 18 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.894 -0.244 18812 9364 1 18 . 1 1 72 72 GLU C C 72 178.000 178.000 179.106 -1.106 18812 9365 1 18 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.866 1.134 18812 9366 1 18 . 1 1 72 72 GLU CB C 72 30.200 30.200 29.203 0.997 18812 9367 1 18 . 1 1 72 72 GLU H H 72 8.460 8.460 8.262 0.198 18812 9368 1 18 . 1 1 73 73 LYS N N 73 118.600 118.600 119.160 -0.560 18812 9369 1 18 . 1 1 73 73 LYS C C 73 179.000 179.000 179.331 -0.331 18812 9370 1 18 . 1 1 73 73 LYS CA C 73 59.400 59.400 58.518 0.882 18812 9371 1 18 . 1 1 73 73 LYS CB C 73 32.600 32.600 31.957 0.643 18812 9372 1 18 . 1 1 73 73 LYS H H 73 8.020 8.020 8.059 -0.039 18812 9373 1 18 . 1 1 74 74 PHE N N 74 118.500 118.500 119.519 -1.019 18812 9374 1 18 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.273 0.047 18812 9375 1 18 . 1 1 74 74 PHE C C 74 179.400 179.400 177.899 1.501 18812 9376 1 18 . 1 1 74 74 PHE CA C 74 61.300 61.300 61.755 -0.455 18812 9377 1 18 . 1 1 74 74 PHE CB C 74 38.300 38.300 39.182 -0.882 18812 9378 1 18 . 1 1 74 74 PHE H H 74 8.870 8.870 8.255 0.615 18812 9379 1 18 . 1 1 75 75 ILE N N 75 119.000 119.000 120.255 -1.255 18812 9380 1 18 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.615 0.155 18812 9381 1 18 . 1 1 75 75 ILE C C 75 177.900 177.900 177.869 0.031 18812 9382 1 18 . 1 1 75 75 ILE CA C 75 66.800 66.800 64.942 1.858 18812 9383 1 18 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.703 0.797 18812 9384 1 18 . 1 1 75 75 ILE H H 75 8.570 8.570 8.337 0.233 18812 9385 1 18 . 1 1 76 76 ALA N N 76 122.200 122.200 121.394 0.806 18812 9386 1 18 . 1 1 76 76 ALA HA H 76 4.570 4.570 4.008 0.562 18812 9387 1 18 . 1 1 76 76 ALA C C 76 181.000 181.000 178.920 2.080 18812 9388 1 18 . 1 1 76 76 ALA CA C 76 54.600 54.600 54.688 -0.088 18812 9389 1 18 . 1 1 76 76 ALA CB C 76 18.400 18.400 18.072 0.328 18812 9390 1 18 . 1 1 76 76 ALA H H 76 8.230 8.230 8.279 -0.049 18812 9391 1 18 . 1 1 77 77 ASP N N 77 117.200 117.200 117.930 -0.730 18812 9392 1 18 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.404 0.036 18812 9393 1 18 . 1 1 77 77 ASP C C 77 177.200 177.200 177.775 -0.575 18812 9394 1 18 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.503 0.197 18812 9395 1 18 . 1 1 77 77 ASP CB C 77 41.100 41.100 41.119 -0.019 18812 9396 1 18 . 1 1 77 77 ASP H H 77 7.900 7.900 7.706 0.194 18812 9397 1 18 . 1 1 78 78 VAL N N 78 118.100 118.100 119.948 -1.848 18812 9398 1 18 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.185 -0.215 18812 9399 1 18 . 1 1 78 78 VAL C C 78 177.800 177.800 175.201 2.599 18812 9400 1 18 . 1 1 78 78 VAL CA C 78 64.800 64.800 62.274 2.526 18812 9401 1 18 . 1 1 78 78 VAL CB C 78 32.700 32.700 29.678 3.022 18812 9402 1 18 . 1 1 78 78 VAL H H 78 7.730 7.730 7.666 0.064 18812 9403 1 18 . 1 1 79 79 THR N N 79 109.800 109.800 110.850 -1.050 18812 9404 1 18 . 1 1 79 79 THR HA H 79 4.100 4.100 4.015 0.085 18812 9405 1 18 . 1 1 79 79 THR C C 79 175.700 175.700 174.469 1.231 18812 9406 1 18 . 1 1 79 79 THR CA C 79 69.400 69.400 64.029 5.371 18812 9407 1 18 . 1 1 79 79 THR CB C 79 63.100 63.100 67.916 -4.816 18812 9408 1 18 . 1 1 79 79 THR H H 79 8.830 8.830 7.593 1.237 18812 9409 1 18 . 1 1 80 80 LYS N N 80 115.700 115.700 119.450 -3.750 18812 9410 1 18 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.399 -0.389 18812 9411 1 18 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.229 -1.529 18812 9412 1 18 . 1 1 80 80 LYS CB C 80 28.400 28.400 33.215 -4.815 18812 9413 1 18 . 1 1 80 80 LYS H H 80 8.440 8.440 7.939 0.501 18812 9414 1 18 . 1 1 81 81 ASP N N 81 119.600 119.600 117.168 2.432 18812 9415 1 18 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.340 0.510 18812 9416 1 18 . 1 1 81 81 ASP C C 81 174.400 174.400 175.461 -1.061 18812 9417 1 18 . 1 1 81 81 ASP CA C 81 51.200 51.200 56.882 -5.682 18812 9418 1 18 . 1 1 81 81 ASP CB C 81 44.400 44.400 40.278 4.122 18812 9419 1 18 . 1 1 81 81 ASP H H 81 8.140 8.140 7.999 0.141 18812 9420 1 18 . 1 1 82 82 GLU N N 82 120.500 120.500 120.216 0.284 18812 9421 1 18 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.811 -0.361 18812 9422 1 18 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.247 0.953 18812 9423 1 18 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.747 -0.847 18812 9424 1 18 . 1 1 82 82 GLU H H 82 8.810 8.810 8.050 0.760 18812 9425 1 18 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.823 -0.173 18812 9426 1 18 . 1 1 83 83 PRO C C 83 176.900 176.900 176.325 0.575 18812 9427 1 18 . 1 1 83 83 PRO CA C 83 62.400 62.400 62.247 0.153 18812 9428 1 18 . 1 1 83 83 PRO CB C 83 32.600 32.600 31.717 0.883 18812 9429 1 18 . 1 1 84 84 THR N N 84 115.300 115.300 118.645 -3.345 18812 9430 1 18 . 1 1 84 84 THR HA H 84 4.590 4.590 4.443 0.147 18812 9431 1 18 . 1 1 84 84 THR C C 84 175.000 175.000 175.796 -0.796 18812 9432 1 18 . 1 1 84 84 THR CA C 84 59.800 59.800 59.680 0.120 18812 9433 1 18 . 1 1 84 84 THR CB C 84 71.700 71.700 71.521 0.179 18812 9434 1 18 . 1 1 84 84 THR H H 84 9.550 9.550 8.938 0.612 18812 9435 1 18 . 1 1 85 85 ALA N N 85 124.400 124.400 124.693 -0.293 18812 9436 1 18 . 1 1 85 85 ALA HA H 85 4.060 4.060 4.065 -0.005 18812 9437 1 18 . 1 1 85 85 ALA C C 85 180.900 180.900 179.481 1.419 18812 9438 1 18 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.501 -0.201 18812 9439 1 18 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.580 -0.580 18812 9440 1 18 . 1 1 85 85 ALA H H 85 8.970 8.970 8.781 0.189 18812 9441 1 18 . 1 1 86 86 GLN N N 86 116.500 116.500 118.295 -1.795 18812 9442 1 18 . 1 1 86 86 GLN HA H 86 4.120 4.120 3.997 0.123 18812 9443 1 18 . 1 1 86 86 GLN CA C 86 58.900 58.900 58.851 0.049 18812 9444 1 18 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.146 -0.046 18812 9445 1 18 . 1 1 86 86 GLN H H 86 8.680 8.680 8.225 0.455 18812 9446 1 18 . 1 1 87 87 ASP N N 87 122.300 122.300 120.218 2.082 18812 9447 1 18 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.385 0.215 18812 9448 1 18 . 1 1 87 87 ASP C C 87 178.200 178.200 178.662 -0.462 18812 9449 1 18 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.656 0.144 18812 9450 1 18 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.617 -0.917 18812 9451 1 18 . 1 1 87 87 ASP H H 87 7.820 7.820 7.745 0.075 18812 9452 1 18 . 1 1 88 88 ILE N N 88 120.900 120.900 119.866 1.034 18812 9453 1 18 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.757 -0.277 18812 9454 1 18 . 1 1 88 88 ILE C C 88 177.800 177.800 178.141 -0.341 18812 9455 1 18 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.679 1.121 18812 9456 1 18 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.832 0.468 18812 9457 1 18 . 1 1 88 88 ILE H H 88 8.160 8.160 8.195 -0.035 18812 9458 1 18 . 1 1 89 89 SER N N 89 113.200 113.200 115.381 -2.181 18812 9459 1 18 . 1 1 89 89 SER HA H 89 4.240 4.240 4.102 0.138 18812 9460 1 18 . 1 1 89 89 SER C C 89 177.200 177.200 176.803 0.397 18812 9461 1 18 . 1 1 89 89 SER CA C 89 61.700 61.700 62.121 -0.421 18812 9462 1 18 . 1 1 89 89 SER CB C 89 62.700 62.700 63.098 -0.398 18812 9463 1 18 . 1 1 89 89 SER H H 89 7.970 7.970 8.347 -0.377 18812 9464 1 18 . 1 1 90 90 ARG N N 90 123.100 123.100 121.296 1.804 18812 9465 1 18 . 1 1 90 90 ARG HA H 90 4.110 4.110 4.099 0.011 18812 9466 1 18 . 1 1 90 90 ARG CA C 90 59.900 59.900 58.948 0.952 18812 9467 1 18 . 1 1 90 90 ARG CB C 90 31.700 31.700 29.801 1.899 18812 9468 1 18 . 1 1 90 90 ARG H H 90 8.450 8.450 8.058 0.392 18812 9469 1 18 . 1 1 91 91 VAL N N 91 119.200 119.200 119.672 -0.472 18812 9470 1 18 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.654 -0.224 18812 9471 1 18 . 1 1 91 91 VAL C C 91 177.300 177.300 177.991 -0.691 18812 9472 1 18 . 1 1 91 91 VAL CA C 91 66.800 66.800 66.426 0.374 18812 9473 1 18 . 1 1 91 91 VAL CB C 91 31.700 31.700 31.004 0.696 18812 9474 1 18 . 1 1 91 91 VAL H H 91 8.140 8.140 8.292 -0.152 18812 9475 1 18 . 1 1 92 92 ALA N N 92 121.100 121.100 121.660 -0.560 18812 9476 1 18 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.991 -0.031 18812 9477 1 18 . 1 1 92 92 ALA C C 92 179.200 179.200 179.910 -0.710 18812 9478 1 18 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.515 0.385 18812 9479 1 18 . 1 1 92 92 ALA CB C 92 18.400 18.400 17.989 0.411 18812 9480 1 18 . 1 1 92 92 ALA H H 92 9.020 9.020 8.515 0.505 18812 9481 1 18 . 1 1 93 93 SER N N 93 112.100 112.100 114.139 -2.039 18812 9482 1 18 . 1 1 93 93 SER HA H 93 4.240 4.240 4.227 0.013 18812 9483 1 18 . 1 1 93 93 SER C C 93 177.300 177.300 177.018 0.282 18812 9484 1 18 . 1 1 93 93 SER CA C 93 62.000 62.000 61.242 0.757 18812 9485 1 18 . 1 1 93 93 SER CB C 93 62.700 62.700 62.906 -0.205 18812 9486 1 18 . 1 1 93 93 SER H H 93 8.730 8.730 8.037 0.693 18812 9487 1 18 . 1 1 94 94 ARG N N 94 122.500 122.500 121.133 1.367 18812 9488 1 18 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.104 0.156 18812 9489 1 18 . 1 1 94 94 ARG C C 94 179.900 179.900 179.041 0.859 18812 9490 1 18 . 1 1 94 94 ARG CA C 94 57.800 57.800 58.188 -0.388 18812 9491 1 18 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.705 -0.505 18812 9492 1 18 . 1 1 94 94 ARG H H 94 7.520 7.520 8.067 -0.547 18812 9493 1 18 . 1 1 95 95 LEU N N 95 121.500 121.500 116.104 5.396 18812 9494 1 18 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.220 0.020 18812 9495 1 18 . 1 1 95 95 LEU C C 95 179.000 179.000 178.066 0.934 18812 9496 1 18 . 1 1 95 95 LEU CA C 95 58.100 58.100 57.511 0.589 18812 9497 1 18 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.979 0.821 18812 9498 1 18 . 1 1 95 95 LEU H H 95 8.350 8.350 8.048 0.302 18812 9499 1 18 . 1 1 96 96 ALA N N 96 121.900 121.900 120.261 1.639 18812 9500 1 18 . 1 1 96 96 ALA HA H 96 4.320 4.320 4.125 0.195 18812 9501 1 18 . 1 1 96 96 ALA C C 96 182.200 182.200 179.930 2.270 18812 9502 1 18 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.470 0.630 18812 9503 1 18 . 1 1 96 96 ALA CB C 96 18.000 18.000 18.619 -0.619 18812 9504 1 18 . 1 1 96 96 ALA H H 96 8.740 8.740 8.247 0.493 18812 9505 1 18 . 1 1 97 97 ALA N N 97 121.400 121.400 121.211 0.189 18812 9506 1 18 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.256 -0.026 18812 9507 1 18 . 1 1 97 97 ALA C C 97 179.200 179.200 178.809 0.391 18812 9508 1 18 . 1 1 97 97 ALA CA C 97 54.600 54.600 53.828 0.772 18812 9509 1 18 . 1 1 97 97 ALA CB C 97 18.000 18.000 18.787 -0.787 18812 9510 1 18 . 1 1 97 97 ALA H H 97 8.190 8.190 7.825 0.365 18812 9511 1 18 . 1 1 98 98 GLY N N 98 103.500 103.500 107.393 -3.893 18812 9512 1 18 . 1 1 98 98 GLY C C 98 173.700 173.700 174.254 -0.554 18812 9513 1 18 . 1 1 98 98 GLY CA C 98 44.800 44.800 44.121 0.679 18812 9514 1 18 . 1 1 98 98 GLY H H 98 7.710 7.710 7.908 -0.198 18812 9515 1 18 . 1 1 99 99 GLY N N 99 107.600 107.600 108.909 -1.309 18812 9516 1 18 . 1 1 99 99 GLY CA C 99 45.200 45.200 44.885 0.315 18812 9517 1 18 . 1 1 99 99 GLY H H 99 7.710 7.710 7.382 0.328 18812 9518 1 18 . 1 1 100 100 TRP N N 100 123.600 123.600 127.966 -4.366 18812 9519 1 18 . 1 1 100 100 TRP CB C 100 52.300 52.300 28.617 23.683 18812 9520 1 18 . 1 1 100 100 TRP H H 100 7.820 7.820 8.198 -0.378 18812 9521 1 18 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.282 -0.352 18812 9522 1 18 . 1 1 101 101 PRO C C 101 175.600 175.600 175.428 0.172 18812 9523 1 18 . 1 1 101 101 PRO CA C 101 62.600 62.600 63.819 -1.219 18812 9524 1 18 . 1 1 101 101 PRO CB C 101 34.200 34.200 30.825 3.376 18812 9525 1 18 . 1 1 102 102 LEU N N 102 122.800 122.800 121.459 1.341 18812 9526 1 18 . 1 1 102 102 LEU H H 102 8.470 8.470 7.695 0.775 18812 9527 1 18 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.515 0.145 18812 9528 1 18 . 1 1 103 103 ALA C C 103 177.100 177.100 177.045 0.055 18812 9529 1 18 . 1 1 103 103 ALA CA C 103 51.500 51.500 52.045 -0.545 18812 9530 1 18 . 1 1 103 103 ALA CB C 103 21.700 21.700 19.491 2.209 18812 9531 1 18 . 1 1 104 104 GLY N N 104 108.500 108.500 110.668 -2.168 18812 9532 1 18 . 1 1 104 104 GLY C C 104 173.900 173.900 173.740 0.160 18812 9533 1 18 . 1 1 104 104 GLY CA C 104 45.900 45.900 44.959 0.941 18812 9534 1 18 . 1 1 104 104 GLY H H 104 8.700 8.700 8.647 0.053 18812 9535 1 18 . 1 1 105 105 VAL N N 105 116.700 116.700 119.994 -3.294 18812 9536 1 18 . 1 1 105 105 VAL HA H 105 4.220 4.220 4.144 0.076 18812 9537 1 18 . 1 1 105 105 VAL C C 105 174.700 174.700 175.247 -0.547 18812 9538 1 18 . 1 1 105 105 VAL CA C 105 61.000 61.000 62.639 -1.639 18812 9539 1 18 . 1 1 105 105 VAL CB C 105 33.100 33.100 31.876 1.224 18812 9540 1 18 . 1 1 105 105 VAL H H 105 7.660 7.660 7.550 0.110 18812 9541 1 18 . 1 1 106 106 ASP N N 106 125.100 125.100 124.705 0.395 18812 9542 1 18 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.714 -0.044 18812 9543 1 18 . 1 1 106 106 ASP C C 106 176.500 176.500 175.563 0.937 18812 9544 1 18 . 1 1 106 106 ASP CA C 106 54.000 54.000 53.256 0.744 18812 9545 1 18 . 1 1 106 106 ASP CB C 106 41.300 41.300 43.700 -2.400 18812 9546 1 18 . 1 1 106 106 ASP H H 106 8.600 8.600 8.389 0.211 18812 9547 1 18 . 1 1 107 107 SER N N 107 117.400 117.400 113.782 3.618 18812 9548 1 18 . 1 1 107 107 SER HA H 107 4.320 4.320 4.591 -0.271 18812 9549 1 18 . 1 1 107 107 SER C C 107 175.400 175.400 175.680 -0.280 18812 9550 1 18 . 1 1 107 107 SER CA C 107 59.500 59.500 59.242 0.258 18812 9551 1 18 . 1 1 107 107 SER CB C 107 63.200 63.200 64.040 -0.840 18812 9552 1 18 . 1 1 107 107 SER H H 107 8.560 8.560 8.518 0.042 18812 9553 1 18 . 1 1 108 108 THR N N 108 115.100 115.100 118.663 -3.563 18812 9554 1 18 . 1 1 108 108 THR HA H 108 4.260 4.260 4.176 0.084 18812 9555 1 18 . 1 1 108 108 THR C C 108 174.800 174.800 175.364 -0.564 18812 9556 1 18 . 1 1 108 108 THR CA C 108 63.000 63.000 63.864 -0.864 18812 9557 1 18 . 1 1 108 108 THR CB C 108 69.300 69.300 68.721 0.579 18812 9558 1 18 . 1 1 108 108 THR H H 108 8.230 8.230 7.965 0.265 18812 9559 1 18 . 1 1 109 109 ALA N N 109 125.000 125.000 122.199 2.801 18812 9560 1 18 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.402 -0.042 18812 9561 1 18 . 1 1 109 109 ALA C C 109 177.500 177.500 176.732 0.768 18812 9562 1 18 . 1 1 109 109 ALA CA C 109 52.500 52.500 52.096 0.404 18812 9563 1 18 . 1 1 109 109 ALA CB C 109 19.100 19.100 19.045 0.055 18812 9564 1 18 . 1 1 109 109 ALA H H 109 8.020 8.020 8.702 -0.682 18812 9565 1 18 . 1 1 110 110 LEU N N 110 119.400 119.400 119.794 -0.394 18812 9566 1 18 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.571 -0.221 18812 9567 1 18 . 1 1 110 110 LEU C C 110 176.800 176.800 176.229 0.571 18812 9568 1 18 . 1 1 110 110 LEU CA C 110 55.000 55.000 53.573 1.427 18812 9569 1 18 . 1 1 110 110 LEU CB C 110 42.000 42.000 43.596 -1.596 18812 9570 1 18 . 1 1 110 110 LEU H H 110 7.880 7.880 7.131 0.749 18812 9571 1 18 . 1 1 111 111 ASN N N 111 118.700 118.700 118.746 -0.046 18812 9572 1 18 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.378 0.352 18812 9573 1 18 . 1 1 111 111 ASN C C 111 173.600 173.600 173.067 0.533 18812 9574 1 18 . 1 1 111 111 ASN CA C 111 52.900 52.900 53.650 -0.750 18812 9575 1 18 . 1 1 111 111 ASN CB C 111 39.000 39.000 38.091 0.909 18812 9576 1 18 . 1 1 111 111 ASN H H 111 8.230 8.230 8.475 -0.245 18812 9577 1 19 . 1 1 10 10 GLY C C 10 174.100 174.100 174.048 0.052 18812 9578 1 19 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.385 0.915 18812 9579 1 19 . 1 1 10 10 GLY H H 10 8.500 8.500 8.566 -0.066 18812 9580 1 19 . 1 1 11 11 THR N N 11 113.700 113.700 113.224 0.476 18812 9581 1 19 . 1 1 11 11 THR HA H 11 4.350 4.350 4.280 0.070 18812 9582 1 19 . 1 1 11 11 THR C C 11 174.700 174.700 174.929 -0.229 18812 9583 1 19 . 1 1 11 11 THR CA C 11 62.000 62.000 61.501 0.499 18812 9584 1 19 . 1 1 11 11 THR CB C 11 69.800 69.800 69.682 0.118 18812 9585 1 19 . 1 1 11 11 THR H H 11 8.100 8.100 7.963 0.137 18812 9586 1 19 . 1 1 12 12 LEU N N 12 124.100 124.100 122.031 2.069 18812 9587 1 19 . 1 1 12 12 LEU C C 12 177.600 177.600 176.618 0.982 18812 9588 1 19 . 1 1 12 12 LEU CA C 12 55.400 55.400 55.025 0.375 18812 9589 1 19 . 1 1 12 12 LEU CB C 12 42.000 42.000 40.897 1.103 18812 9590 1 19 . 1 1 12 12 LEU H H 12 8.380 8.380 8.360 0.020 18812 9591 1 19 . 1 1 13 13 GLU N N 13 121.500 121.500 126.902 -5.402 18812 9592 1 19 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.155 0.065 18812 9593 1 19 . 1 1 13 13 GLU C C 13 176.300 176.300 175.603 0.697 18812 9594 1 19 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.750 0.150 18812 9595 1 19 . 1 1 13 13 GLU CB C 13 29.600 29.600 28.657 0.943 18812 9596 1 19 . 1 1 13 13 GLU H H 13 8.440 8.440 8.683 -0.243 18812 9597 1 19 . 1 1 14 14 ALA N N 14 124.300 124.300 127.909 -3.609 18812 9598 1 19 . 1 1 14 14 ALA CA C 14 52.600 52.600 51.799 0.801 18812 9599 1 19 . 1 1 14 14 ALA CB C 14 19.000 19.000 20.632 -1.632 18812 9600 1 19 . 1 1 14 14 ALA H H 14 8.280 8.280 8.183 0.097 18812 9601 1 19 . 1 1 15 15 GLN N N 15 118.700 118.700 118.912 -0.212 18812 9602 1 19 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.413 -0.013 18812 9603 1 19 . 1 1 15 15 GLN C C 15 176.300 176.300 174.840 1.460 18812 9604 1 19 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.258 0.542 18812 9605 1 19 . 1 1 15 15 GLN CB C 15 29.300 29.300 30.405 -1.105 18812 9606 1 19 . 1 1 15 15 GLN H H 15 8.360 8.360 8.444 -0.084 18812 9607 1 19 . 1 1 16 16 THR N N 16 114.800 114.800 112.756 2.044 18812 9608 1 19 . 1 1 16 16 THR C C 16 174.400 174.400 174.138 0.262 18812 9609 1 19 . 1 1 16 16 THR CA C 16 62.000 62.000 61.543 0.457 18812 9610 1 19 . 1 1 16 16 THR CB C 16 69.700 69.700 69.892 -0.192 18812 9611 1 19 . 1 1 16 16 THR H H 16 8.200 8.200 8.552 -0.352 18812 9612 1 19 . 1 1 17 17 GLN N N 17 122.200 122.200 122.266 -0.066 18812 9613 1 19 . 1 1 17 17 GLN C C 17 175.900 175.900 175.868 0.032 18812 9614 1 19 . 1 1 17 17 GLN CA C 17 55.500 55.500 55.787 -0.287 18812 9615 1 19 . 1 1 17 17 GLN CB C 17 29.600 29.600 29.610 -0.010 18812 9616 1 19 . 1 1 17 17 GLN H H 17 8.430 8.430 8.481 -0.051 18812 9617 1 19 . 1 1 18 18 GLY N N 18 110.100 110.100 112.668 -2.568 18812 9618 1 19 . 1 1 18 18 GLY CA C 18 44.500 44.500 44.142 0.359 18812 9619 1 19 . 1 1 18 18 GLY H H 18 8.360 8.360 8.353 0.007 18812 9620 1 19 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.565 -0.105 18812 9621 1 19 . 1 1 19 19 PRO C C 19 177.700 177.700 177.449 0.251 18812 9622 1 19 . 1 1 19 19 PRO CA C 19 63.600 63.600 62.294 1.306 18812 9623 1 19 . 1 1 19 19 PRO CB C 19 31.900 31.900 32.252 -0.352 18812 9624 1 19 . 1 1 20 20 GLY N N 20 109.600 109.600 107.883 1.717 18812 9625 1 19 . 1 1 20 20 GLY C C 20 174.100 174.100 173.924 0.176 18812 9626 1 19 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.463 -0.263 18812 9627 1 19 . 1 1 20 20 GLY H H 20 8.630 8.630 8.675 -0.045 18812 9628 1 19 . 1 1 21 21 SER N N 21 115.300 115.300 116.541 -1.241 18812 9629 1 19 . 1 1 21 21 SER HA H 21 4.460 4.460 4.775 -0.315 18812 9630 1 19 . 1 1 21 21 SER C C 21 174.100 174.100 173.803 0.297 18812 9631 1 19 . 1 1 21 21 SER CA C 21 58.300 58.300 58.975 -0.675 18812 9632 1 19 . 1 1 21 21 SER CB C 21 63.900 63.900 63.145 0.755 18812 9633 1 19 . 1 1 21 21 SER H H 21 8.150 8.150 8.374 -0.224 18812 9634 1 19 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.568 -0.128 18812 9635 1 19 . 1 1 22 22 PRO C C 22 176.800 176.800 175.322 1.478 18812 9636 1 19 . 1 1 22 22 PRO CA C 22 63.100 63.100 62.868 0.232 18812 9637 1 19 . 1 1 22 22 PRO CB C 22 32.100 32.100 30.273 1.827 18812 9638 1 19 . 1 1 23 23 GLU N N 23 120.900 120.900 120.062 0.838 18812 9639 1 19 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.377 -0.097 18812 9640 1 19 . 1 1 23 23 GLU C C 23 177.000 177.000 176.827 0.173 18812 9641 1 19 . 1 1 23 23 GLU CA C 23 56.600 56.600 55.657 0.943 18812 9642 1 19 . 1 1 23 23 GLU CB C 23 30.400 30.400 30.370 0.030 18812 9643 1 19 . 1 1 23 23 GLU H H 23 8.630 8.630 7.748 0.882 18812 9644 1 19 . 1 1 24 24 GLY N N 24 109.800 109.800 113.984 -4.184 18812 9645 1 19 . 1 1 24 24 GLY C C 24 173.600 173.600 174.039 -0.439 18812 9646 1 19 . 1 1 24 24 GLY CA C 24 45.100 45.100 45.783 -0.683 18812 9647 1 19 . 1 1 24 24 GLY H H 24 8.450 8.450 8.796 -0.346 18812 9648 1 19 . 1 1 25 25 VAL N N 25 120.600 120.600 117.895 2.705 18812 9649 1 19 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.636 -0.176 18812 9650 1 19 . 1 1 25 25 VAL CA C 25 59.700 59.700 58.499 1.200 18812 9651 1 19 . 1 1 25 25 VAL CB C 25 32.600 32.600 32.945 -0.345 18812 9652 1 19 . 1 1 25 25 VAL H H 25 7.990 7.990 7.604 0.386 18812 9653 1 19 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.559 -0.039 18812 9654 1 19 . 1 1 27 27 PRO C C 27 177.200 177.200 176.448 0.752 18812 9655 1 19 . 1 1 27 27 PRO CA C 27 63.100 63.100 62.185 0.915 18812 9656 1 19 . 1 1 27 27 PRO CB C 27 32.000 32.000 32.504 -0.504 18812 9657 1 19 . 1 1 28 28 THR N N 28 113.000 113.000 112.020 0.980 18812 9658 1 19 . 1 1 28 28 THR HA H 28 4.270 4.270 4.283 -0.013 18812 9659 1 19 . 1 1 28 28 THR C C 28 174.400 174.400 174.873 -0.473 18812 9660 1 19 . 1 1 28 28 THR CA C 28 62.000 62.000 60.782 1.218 18812 9661 1 19 . 1 1 28 28 THR CB C 28 69.700 69.700 70.215 -0.515 18812 9662 1 19 . 1 1 28 28 THR H H 28 8.160 8.160 8.040 0.120 18812 9663 1 19 . 1 1 29 29 ASP N N 29 122.100 122.100 120.890 1.210 18812 9664 1 19 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.168 0.412 18812 9665 1 19 . 1 1 29 29 ASP CA C 29 54.300 54.300 56.500 -2.200 18812 9666 1 19 . 1 1 29 29 ASP CB C 29 40.900 40.900 40.905 -0.005 18812 9667 1 19 . 1 1 29 29 ASP H H 29 8.290 8.290 8.499 -0.209 18812 9668 1 19 . 1 1 30 30 ARG N N 30 120.300 120.300 120.050 0.250 18812 9669 1 19 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.416 -0.226 18812 9670 1 19 . 1 1 30 30 ARG C C 30 175.600 175.600 175.482 0.118 18812 9671 1 19 . 1 1 30 30 ARG CA C 30 56.200 56.200 55.340 0.860 18812 9672 1 19 . 1 1 30 30 ARG CB C 30 30.800 30.800 29.875 0.924 18812 9673 1 19 . 1 1 30 30 ARG H H 30 8.070 8.070 7.919 0.151 18812 9674 1 19 . 1 1 31 31 PHE N N 31 120.500 120.500 124.900 -4.400 18812 9675 1 19 . 1 1 31 31 PHE CB C 31 38.800 38.800 39.288 -0.487 18812 9676 1 19 . 1 1 31 31 PHE H H 31 8.240 8.240 8.446 -0.206 18812 9677 1 19 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.431 0.009 18812 9678 1 19 . 1 1 32 32 PRO C C 32 177.200 177.200 175.784 1.416 18812 9679 1 19 . 1 1 32 32 PRO CA C 32 63.400 63.400 63.367 0.033 18812 9680 1 19 . 1 1 32 32 PRO CB C 32 31.700 31.700 31.679 0.021 18812 9681 1 19 . 1 1 33 33 LEU N N 33 121.000 121.000 120.314 0.686 18812 9682 1 19 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.481 -0.151 18812 9683 1 19 . 1 1 33 33 LEU CA C 33 55.600 55.600 53.845 1.755 18812 9684 1 19 . 1 1 33 33 LEU CB C 33 42.100 42.100 42.296 -0.196 18812 9685 1 19 . 1 1 33 33 LEU H H 33 8.290 8.290 7.389 0.901 18812 9686 1 19 . 1 1 34 34 LEU N N 34 122.100 122.100 121.861 0.239 18812 9687 1 19 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.297 0.013 18812 9688 1 19 . 1 1 34 34 LEU C C 34 177.300 177.300 176.415 0.885 18812 9689 1 19 . 1 1 34 34 LEU CA C 34 55.200 55.200 54.692 0.508 18812 9690 1 19 . 1 1 34 34 LEU CB C 34 41.900 41.900 40.509 1.391 18812 9691 1 19 . 1 1 34 34 LEU H H 34 8.110 8.110 8.466 -0.356 18812 9692 1 19 . 1 1 35 35 ALA N N 35 123.400 123.400 128.343 -4.943 18812 9693 1 19 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.280 0.000 18812 9694 1 19 . 1 1 35 35 ALA C C 35 177.600 177.600 176.596 1.004 18812 9695 1 19 . 1 1 35 35 ALA CA C 35 52.700 52.700 52.461 0.239 18812 9696 1 19 . 1 1 35 35 ALA CB C 35 18.800 18.800 17.994 0.806 18812 9697 1 19 . 1 1 35 35 ALA H H 35 8.140 8.140 8.250 -0.110 18812 9698 1 19 . 1 1 36 36 LEU N N 36 120.000 120.000 123.820 -3.820 18812 9699 1 19 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.613 -0.353 18812 9700 1 19 . 1 1 36 36 LEU CA C 36 55.500 55.500 53.844 1.656 18812 9701 1 19 . 1 1 36 36 LEU CB C 36 42.000 42.000 43.254 -1.254 18812 9702 1 19 . 1 1 36 36 LEU H H 36 7.990 7.990 7.969 0.021 18812 9703 1 19 . 1 1 37 37 LEU N N 37 122.700 122.700 119.600 3.100 18812 9704 1 19 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.018 0.362 18812 9705 1 19 . 1 1 37 37 LEU C C 37 177.100 177.100 176.031 1.069 18812 9706 1 19 . 1 1 37 37 LEU CA C 37 55.000 55.000 55.335 -0.335 18812 9707 1 19 . 1 1 37 37 LEU CB C 37 42.100 42.100 40.971 1.129 18812 9708 1 19 . 1 1 37 37 LEU H H 37 8.190 8.190 8.409 -0.219 18812 9709 1 19 . 1 1 38 38 ARG N N 38 121.600 121.600 121.917 -0.317 18812 9710 1 19 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.575 -0.105 18812 9711 1 19 . 1 1 38 38 ARG C C 38 176.200 176.200 176.795 -0.595 18812 9712 1 19 . 1 1 38 38 ARG CA C 38 55.100 55.100 54.576 0.524 18812 9713 1 19 . 1 1 38 38 ARG CB C 38 31.200 31.200 31.203 -0.003 18812 9714 1 19 . 1 1 38 38 ARG H H 38 8.040 8.040 8.041 -0.001 18812 9715 1 19 . 1 1 39 39 ARG N N 39 123.600 123.600 112.462 11.138 18812 9716 1 19 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.121 0.249 18812 9717 1 19 . 1 1 39 39 ARG C C 39 175.500 175.500 175.364 0.136 18812 9718 1 19 . 1 1 39 39 ARG CA C 39 56.700 56.700 57.840 -1.140 18812 9719 1 19 . 1 1 39 39 ARG CB C 39 31.200 31.200 28.847 2.353 18812 9720 1 19 . 1 1 39 39 ARG H H 39 8.840 8.840 8.584 0.256 18812 9721 1 19 . 1 1 40 40 THR N N 40 113.900 113.900 111.973 1.927 18812 9722 1 19 . 1 1 40 40 THR HA H 40 4.770 4.770 4.301 0.469 18812 9723 1 19 . 1 1 40 40 THR C C 40 175.300 175.300 174.538 0.762 18812 9724 1 19 . 1 1 40 40 THR CA C 40 59.500 59.500 62.532 -3.032 18812 9725 1 19 . 1 1 40 40 THR CB C 40 71.700 71.700 69.214 2.486 18812 9726 1 19 . 1 1 40 40 THR H H 40 8.150 8.150 7.628 0.522 18812 9727 1 19 . 1 1 41 41 LEU N N 41 123.100 123.100 127.744 -4.644 18812 9728 1 19 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.602 -0.132 18812 9729 1 19 . 1 1 41 41 LEU C C 41 179.700 179.700 176.976 2.724 18812 9730 1 19 . 1 1 41 41 LEU CA C 41 54.900 54.900 54.392 0.508 18812 9731 1 19 . 1 1 41 41 LEU CB C 41 43.000 43.000 40.458 2.542 18812 9732 1 19 . 1 1 41 41 LEU H H 41 9.480 9.480 8.773 0.707 18812 9733 1 19 . 1 1 42 42 THR N N 42 115.100 115.100 118.789 -3.689 18812 9734 1 19 . 1 1 42 42 THR HA H 42 4.580 4.580 4.256 0.324 18812 9735 1 19 . 1 1 42 42 THR C C 42 175.400 175.400 175.563 -0.163 18812 9736 1 19 . 1 1 42 42 THR CA C 42 60.900 60.900 61.248 -0.347 18812 9737 1 19 . 1 1 42 42 THR CB C 42 70.600 70.600 70.781 -0.181 18812 9738 1 19 . 1 1 42 42 THR H H 42 8.790 8.790 8.962 -0.172 18812 9739 1 19 . 1 1 43 43 GLU N N 43 121.400 121.400 122.454 -1.054 18812 9740 1 19 . 1 1 43 43 GLU HA H 43 4.020 4.020 3.921 0.099 18812 9741 1 19 . 1 1 43 43 GLU C C 43 179.100 179.100 178.367 0.733 18812 9742 1 19 . 1 1 43 43 GLU CA C 43 59.700 59.700 60.461 -0.761 18812 9743 1 19 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.538 -0.638 18812 9744 1 19 . 1 1 43 43 GLU H H 43 9.020 9.020 9.152 -0.132 18812 9745 1 19 . 1 1 44 44 GLU N N 44 118.300 118.300 117.529 0.771 18812 9746 1 19 . 1 1 44 44 GLU HA H 44 4.020 4.020 4.027 -0.007 18812 9747 1 19 . 1 1 44 44 GLU C C 44 179.700 179.700 179.290 0.410 18812 9748 1 19 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.286 0.914 18812 9749 1 19 . 1 1 44 44 GLU CB C 44 29.000 29.000 29.367 -0.367 18812 9750 1 19 . 1 1 44 44 GLU H H 44 8.810 8.810 8.688 0.122 18812 9751 1 19 . 1 1 45 45 GLN N N 45 119.300 119.300 118.773 0.527 18812 9752 1 19 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.130 0.090 18812 9753 1 19 . 1 1 45 45 GLN C C 45 178.500 178.500 178.685 -0.185 18812 9754 1 19 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.556 -0.256 18812 9755 1 19 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.964 0.236 18812 9756 1 19 . 1 1 45 45 GLN H H 45 7.800 7.800 7.726 0.074 18812 9757 1 19 . 1 1 46 46 VAL N N 46 121.000 121.000 121.647 -0.647 18812 9758 1 19 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.645 -0.245 18812 9759 1 19 . 1 1 46 46 VAL C C 46 177.500 177.500 178.181 -0.681 18812 9760 1 19 . 1 1 46 46 VAL CA C 46 67.600 67.600 67.091 0.509 18812 9761 1 19 . 1 1 46 46 VAL CB C 46 31.300 31.300 31.315 -0.015 18812 9762 1 19 . 1 1 46 46 VAL H H 46 8.420 8.420 8.466 -0.046 18812 9763 1 19 . 1 1 47 47 GLN N N 47 115.900 115.900 117.473 -1.573 18812 9764 1 19 . 1 1 47 47 GLN HA H 47 3.890 3.890 3.937 -0.047 18812 9765 1 19 . 1 1 47 47 GLN C C 47 178.500 178.500 178.407 0.093 18812 9766 1 19 . 1 1 47 47 GLN CA C 47 58.800 58.800 58.543 0.257 18812 9767 1 19 . 1 1 47 47 GLN CB C 47 27.700 27.700 27.970 -0.270 18812 9768 1 19 . 1 1 47 47 GLN H H 47 7.470 7.470 8.367 -0.897 18812 9769 1 19 . 1 1 48 48 GLU N N 48 121.400 121.400 120.961 0.439 18812 9770 1 19 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.054 0.066 18812 9771 1 19 . 1 1 48 48 GLU C C 48 178.500 178.500 178.860 -0.360 18812 9772 1 19 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.648 -0.348 18812 9773 1 19 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.307 0.493 18812 9774 1 19 . 1 1 48 48 GLU H H 48 7.940 7.940 7.972 -0.032 18812 9775 1 19 . 1 1 49 49 VAL N N 49 120.300 120.300 120.265 0.035 18812 9776 1 19 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.710 -0.120 18812 9777 1 19 . 1 1 49 49 VAL CA C 49 67.200 67.200 67.078 0.122 18812 9778 1 19 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.801 -0.301 18812 9779 1 19 . 1 1 49 49 VAL H H 49 8.580 8.580 7.962 0.618 18812 9780 1 19 . 1 1 50 50 VAL N N 50 118.700 118.700 119.315 -0.615 18812 9781 1 19 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.545 -0.325 18812 9782 1 19 . 1 1 50 50 VAL C C 50 178.600 178.600 177.597 1.003 18812 9783 1 19 . 1 1 50 50 VAL CA C 50 67.500 67.500 66.440 1.060 18812 9784 1 19 . 1 1 50 50 VAL CB C 50 31.400 31.400 31.063 0.337 18812 9785 1 19 . 1 1 50 50 VAL H H 50 8.350 8.350 8.067 0.283 18812 9786 1 19 . 1 1 51 51 ALA N N 51 123.200 123.200 122.613 0.587 18812 9787 1 19 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.108 -0.278 18812 9788 1 19 . 1 1 51 51 ALA C C 51 180.100 180.100 179.029 1.071 18812 9789 1 19 . 1 1 51 51 ALA CA C 51 55.300 55.300 54.986 0.314 18812 9790 1 19 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.553 -0.853 18812 9791 1 19 . 1 1 51 51 ALA H H 51 8.320 8.320 8.016 0.304 18812 9792 1 19 . 1 1 52 52 LYS N N 52 117.200 117.200 117.783 -0.583 18812 9793 1 19 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.422 -0.302 18812 9794 1 19 . 1 1 52 52 LYS C C 52 180.200 180.200 178.972 1.228 18812 9795 1 19 . 1 1 52 52 LYS CA C 52 59.200 59.200 57.393 1.807 18812 9796 1 19 . 1 1 52 52 LYS CB C 52 32.700 32.700 32.674 0.026 18812 9797 1 19 . 1 1 52 52 LYS H H 52 8.170 8.170 7.936 0.234 18812 9798 1 19 . 1 1 53 53 LEU N N 53 118.600 118.600 119.621 -1.021 18812 9799 1 19 . 1 1 53 53 LEU HA H 53 3.390 3.390 3.527 -0.137 18812 9800 1 19 . 1 1 53 53 LEU C C 53 176.300 176.300 178.016 -1.716 18812 9801 1 19 . 1 1 53 53 LEU CA C 53 56.300 56.300 57.015 -0.715 18812 9802 1 19 . 1 1 53 53 LEU CB C 53 44.300 44.300 41.747 2.553 18812 9803 1 19 . 1 1 53 53 LEU H H 53 8.170 8.170 8.065 0.105 18812 9804 1 19 . 1 1 54 54 THR N N 54 103.000 103.000 110.548 -7.548 18812 9805 1 19 . 1 1 54 54 THR HA H 54 3.490 3.490 4.253 -0.763 18812 9806 1 19 . 1 1 54 54 THR C C 54 173.600 173.600 174.544 -0.944 18812 9807 1 19 . 1 1 54 54 THR CA C 54 60.800 60.800 62.368 -1.568 18812 9808 1 19 . 1 1 54 54 THR CB C 54 69.700 69.700 68.625 1.075 18812 9809 1 19 . 1 1 54 54 THR H H 54 6.990 6.990 7.365 -0.375 18812 9810 1 19 . 1 1 55 55 ASP N N 55 126.400 126.400 122.993 3.407 18812 9811 1 19 . 1 1 55 55 ASP HA H 55 4.630 4.630 5.123 -0.493 18812 9812 1 19 . 1 1 55 55 ASP CA C 55 52.600 52.600 51.781 0.819 18812 9813 1 19 . 1 1 55 55 ASP CB C 55 42.200 42.200 41.298 0.902 18812 9814 1 19 . 1 1 55 55 ASP H H 55 6.900 6.900 7.608 -0.708 18812 9815 1 19 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.357 -0.017 18812 9816 1 19 . 1 1 56 56 PRO C C 56 178.500 178.500 178.444 0.056 18812 9817 1 19 . 1 1 56 56 PRO CA C 56 65.100 65.100 64.943 0.157 18812 9818 1 19 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.309 -0.209 18812 9819 1 19 . 1 1 57 57 GLU N N 57 115.700 115.700 118.896 -3.196 18812 9820 1 19 . 1 1 57 57 GLU C C 57 176.300 176.300 177.974 -1.674 18812 9821 1 19 . 1 1 57 57 GLU CA C 57 59.600 59.600 59.198 0.402 18812 9822 1 19 . 1 1 57 57 GLU CB C 57 29.400 29.400 28.751 0.649 18812 9823 1 19 . 1 1 57 57 GLU H H 57 8.640 8.640 8.752 -0.112 18812 9824 1 19 . 1 1 58 58 SER N N 58 115.000 115.000 114.930 0.070 18812 9825 1 19 . 1 1 58 58 SER HA H 58 4.260 4.260 4.276 -0.016 18812 9826 1 19 . 1 1 58 58 SER C C 58 177.400 177.400 176.355 1.045 18812 9827 1 19 . 1 1 58 58 SER CA C 58 62.900 62.900 61.355 1.545 18812 9828 1 19 . 1 1 58 58 SER CB C 58 69.300 69.300 63.497 5.803 18812 9829 1 19 . 1 1 58 58 SER H H 58 8.180 8.180 7.788 0.392 18812 9830 1 19 . 1 1 60 60 ALA N N 60 123.000 123.000 120.125 2.875 18812 9831 1 19 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.293 0.337 18812 9832 1 19 . 1 1 60 60 ALA C C 60 180.600 180.600 178.673 1.927 18812 9833 1 19 . 1 1 60 60 ALA CA C 60 53.600 53.600 54.285 -0.685 18812 9834 1 19 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.645 0.555 18812 9835 1 19 . 1 1 60 60 ALA H H 60 8.020 8.020 8.230 -0.210 18812 9836 1 19 . 1 1 61 61 GLN N N 61 114.000 114.000 118.325 -4.325 18812 9837 1 19 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.333 -0.313 18812 9838 1 19 . 1 1 61 61 GLN C C 61 176.900 176.900 177.478 -0.578 18812 9839 1 19 . 1 1 61 61 GLN CA C 61 54.900 54.900 56.752 -1.852 18812 9840 1 19 . 1 1 61 61 GLN CB C 61 28.500 28.500 29.186 -0.687 18812 9841 1 19 . 1 1 61 61 GLN H H 61 7.500 7.500 7.825 -0.325 18812 9842 1 19 . 1 1 62 62 ILE N N 62 123.900 123.900 117.707 6.193 18812 9843 1 19 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.960 -0.180 18812 9844 1 19 . 1 1 62 62 ILE C C 62 176.800 176.800 177.444 -0.644 18812 9845 1 19 . 1 1 62 62 ILE CA C 62 65.900 65.900 63.839 2.061 18812 9846 1 19 . 1 1 62 62 ILE CB C 62 37.700 37.700 38.342 -0.642 18812 9847 1 19 . 1 1 62 62 ILE H H 62 7.240 7.240 8.218 -0.978 18812 9848 1 19 . 1 1 63 63 ASP N N 63 114.100 114.100 119.247 -5.147 18812 9849 1 19 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.719 0.091 18812 9850 1 19 . 1 1 63 63 ASP C C 63 177.500 177.500 177.170 0.330 18812 9851 1 19 . 1 1 63 63 ASP CA C 63 51.700 51.700 53.785 -2.085 18812 9852 1 19 . 1 1 63 63 ASP CB C 63 40.300 40.300 42.268 -1.968 18812 9853 1 19 . 1 1 63 63 ASP H H 63 7.860 7.860 7.784 0.076 18812 9854 1 19 . 1 1 64 64 GLY N N 64 104.800 104.800 107.778 -2.978 18812 9855 1 19 . 1 1 64 64 GLY C C 64 173.400 173.400 173.879 -0.479 18812 9856 1 19 . 1 1 64 64 GLY CA C 64 45.900 45.900 45.849 0.051 18812 9857 1 19 . 1 1 64 64 GLY H H 64 7.860 7.860 8.606 -0.746 18812 9858 1 19 . 1 1 65 65 VAL N N 65 117.700 117.700 120.168 -2.468 18812 9859 1 19 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.319 0.181 18812 9860 1 19 . 1 1 65 65 VAL C C 65 173.300 173.300 174.704 -1.404 18812 9861 1 19 . 1 1 65 65 VAL CA C 65 60.100 60.100 60.957 -0.857 18812 9862 1 19 . 1 1 65 65 VAL CB C 65 36.100 36.100 33.864 2.236 18812 9863 1 19 . 1 1 65 65 VAL H H 65 7.550 7.550 7.675 -0.125 18812 9864 1 19 . 1 1 66 66 VAL N N 66 129.500 129.500 128.997 0.503 18812 9865 1 19 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.190 0.540 18812 9866 1 19 . 1 1 66 66 VAL C C 66 174.300 174.300 175.237 -0.937 18812 9867 1 19 . 1 1 66 66 VAL CA C 66 61.500 61.500 62.415 -0.915 18812 9868 1 19 . 1 1 66 66 VAL CB C 66 31.800 31.800 30.805 0.995 18812 9869 1 19 . 1 1 66 66 VAL H H 66 8.540 8.540 8.437 0.103 18812 9870 1 19 . 1 1 67 67 SER N N 67 123.500 123.500 123.275 0.225 18812 9871 1 19 . 1 1 67 67 SER HA H 67 5.510 5.510 4.799 0.711 18812 9872 1 19 . 1 1 67 67 SER CA C 67 55.700 55.700 56.640 -0.940 18812 9873 1 19 . 1 1 67 67 SER CB C 67 66.100 66.100 65.515 0.585 18812 9874 1 19 . 1 1 67 67 SER H H 67 9.370 9.370 8.036 1.334 18812 9875 1 19 . 1 1 68 68 LYS C C 68 177.100 177.100 177.812 -0.712 18812 9876 1 19 . 1 1 69 69 ASP N N 69 114.800 114.800 118.481 -3.681 18812 9877 1 19 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.351 0.099 18812 9878 1 19 . 1 1 69 69 ASP C C 69 178.800 178.800 177.779 1.021 18812 9879 1 19 . 1 1 69 69 ASP CA C 69 56.900 56.900 57.433 -0.533 18812 9880 1 19 . 1 1 69 69 ASP CB C 69 40.400 40.400 40.152 0.248 18812 9881 1 19 . 1 1 69 69 ASP H H 69 8.420 8.420 8.760 -0.340 18812 9882 1 19 . 1 1 70 70 GLU N N 70 120.300 120.300 119.858 0.442 18812 9883 1 19 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.061 0.089 18812 9884 1 19 . 1 1 70 70 GLU C C 70 178.000 178.000 178.591 -0.591 18812 9885 1 19 . 1 1 70 70 GLU CA C 70 59.200 59.200 59.374 -0.174 18812 9886 1 19 . 1 1 70 70 GLU CB C 70 28.600 28.600 29.259 -0.659 18812 9887 1 19 . 1 1 70 70 GLU H H 70 7.600 7.600 8.159 -0.559 18812 9888 1 19 . 1 1 71 71 ILE N N 71 119.100 119.100 120.576 -1.476 18812 9889 1 19 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.679 -0.249 18812 9890 1 19 . 1 1 71 71 ILE C C 71 177.300 177.300 178.171 -0.871 18812 9891 1 19 . 1 1 71 71 ILE CA C 71 67.300 67.300 65.593 1.708 18812 9892 1 19 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.758 0.042 18812 9893 1 19 . 1 1 71 71 ILE H H 71 8.050 8.050 7.954 0.096 18812 9894 1 19 . 1 1 72 72 GLU N N 72 116.200 116.200 119.814 -3.614 18812 9895 1 19 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.946 -0.296 18812 9896 1 19 . 1 1 72 72 GLU C C 72 178.000 178.000 179.004 -1.004 18812 9897 1 19 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.723 1.277 18812 9898 1 19 . 1 1 72 72 GLU CB C 72 30.200 30.200 29.216 0.984 18812 9899 1 19 . 1 1 72 72 GLU H H 72 8.460 8.460 7.977 0.483 18812 9900 1 19 . 1 1 73 73 LYS N N 73 118.600 118.600 120.139 -1.539 18812 9901 1 19 . 1 1 73 73 LYS C C 73 179.000 179.000 179.111 -0.111 18812 9902 1 19 . 1 1 73 73 LYS CA C 73 59.400 59.400 59.110 0.290 18812 9903 1 19 . 1 1 73 73 LYS CB C 73 32.600 32.600 31.943 0.657 18812 9904 1 19 . 1 1 73 73 LYS H H 73 8.020 8.020 7.679 0.341 18812 9905 1 19 . 1 1 74 74 PHE N N 74 118.500 118.500 118.776 -0.276 18812 9906 1 19 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.251 0.069 18812 9907 1 19 . 1 1 74 74 PHE C C 74 179.400 179.400 178.069 1.331 18812 9908 1 19 . 1 1 74 74 PHE CA C 74 61.300 61.300 61.759 -0.459 18812 9909 1 19 . 1 1 74 74 PHE CB C 74 38.300 38.300 39.093 -0.793 18812 9910 1 19 . 1 1 74 74 PHE H H 74 8.870 8.870 8.219 0.651 18812 9911 1 19 . 1 1 75 75 ILE N N 75 119.000 119.000 120.036 -1.036 18812 9912 1 19 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.578 0.192 18812 9913 1 19 . 1 1 75 75 ILE C C 75 177.900 177.900 178.432 -0.532 18812 9914 1 19 . 1 1 75 75 ILE CA C 75 66.800 66.800 65.335 1.465 18812 9915 1 19 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.746 0.754 18812 9916 1 19 . 1 1 75 75 ILE H H 75 8.570 8.570 8.224 0.346 18812 9917 1 19 . 1 1 76 76 ALA N N 76 122.200 122.200 121.669 0.531 18812 9918 1 19 . 1 1 76 76 ALA HA H 76 4.570 4.570 3.990 0.580 18812 9919 1 19 . 1 1 76 76 ALA C C 76 181.000 181.000 179.254 1.746 18812 9920 1 19 . 1 1 76 76 ALA CA C 76 54.600 54.600 55.034 -0.434 18812 9921 1 19 . 1 1 76 76 ALA CB C 76 18.400 18.400 17.949 0.451 18812 9922 1 19 . 1 1 76 76 ALA H H 76 8.230 8.230 8.420 -0.190 18812 9923 1 19 . 1 1 77 77 ASP N N 77 117.200 117.200 118.436 -1.236 18812 9924 1 19 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.422 0.018 18812 9925 1 19 . 1 1 77 77 ASP C C 77 177.200 177.200 177.268 -0.068 18812 9926 1 19 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.441 0.259 18812 9927 1 19 . 1 1 77 77 ASP CB C 77 41.100 41.100 41.110 -0.010 18812 9928 1 19 . 1 1 77 77 ASP H H 77 7.900 7.900 7.721 0.179 18812 9929 1 19 . 1 1 78 78 VAL N N 78 118.100 118.100 118.278 -0.178 18812 9930 1 19 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.129 -0.159 18812 9931 1 19 . 1 1 78 78 VAL C C 78 177.800 177.800 175.411 2.389 18812 9932 1 19 . 1 1 78 78 VAL CA C 78 64.800 64.800 62.477 2.323 18812 9933 1 19 . 1 1 78 78 VAL CB C 78 32.700 32.700 30.534 2.166 18812 9934 1 19 . 1 1 78 78 VAL H H 78 7.730 7.730 7.616 0.114 18812 9935 1 19 . 1 1 79 79 THR N N 79 109.800 109.800 111.468 -1.668 18812 9936 1 19 . 1 1 79 79 THR HA H 79 4.100 4.100 3.900 0.200 18812 9937 1 19 . 1 1 79 79 THR C C 79 175.700 175.700 174.535 1.165 18812 9938 1 19 . 1 1 79 79 THR CA C 79 69.400 69.400 64.362 5.038 18812 9939 1 19 . 1 1 79 79 THR CB C 79 63.100 63.100 67.624 -4.524 18812 9940 1 19 . 1 1 79 79 THR H H 79 8.830 8.830 7.665 1.165 18812 9941 1 19 . 1 1 80 80 LYS N N 80 115.700 115.700 120.922 -5.222 18812 9942 1 19 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.270 -0.260 18812 9943 1 19 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.425 -1.725 18812 9944 1 19 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.881 -4.481 18812 9945 1 19 . 1 1 80 80 LYS H H 80 8.440 8.440 7.586 0.854 18812 9946 1 19 . 1 1 81 81 ASP N N 81 119.600 119.600 117.583 2.017 18812 9947 1 19 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.234 0.616 18812 9948 1 19 . 1 1 81 81 ASP C C 81 174.400 174.400 175.386 -0.986 18812 9949 1 19 . 1 1 81 81 ASP CA C 81 51.200 51.200 56.914 -5.714 18812 9950 1 19 . 1 1 81 81 ASP CB C 81 44.400 44.400 39.822 4.578 18812 9951 1 19 . 1 1 81 81 ASP H H 81 8.140 8.140 8.020 0.120 18812 9952 1 19 . 1 1 82 82 GLU N N 82 120.500 120.500 121.228 -0.728 18812 9953 1 19 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.673 -0.223 18812 9954 1 19 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.335 0.865 18812 9955 1 19 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.412 -0.512 18812 9956 1 19 . 1 1 82 82 GLU H H 82 8.810 8.810 8.115 0.695 18812 9957 1 19 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.624 0.026 18812 9958 1 19 . 1 1 83 83 PRO C C 83 176.900 176.900 176.504 0.396 18812 9959 1 19 . 1 1 83 83 PRO CA C 83 62.400 62.400 62.746 -0.346 18812 9960 1 19 . 1 1 83 83 PRO CB C 83 32.600 32.600 31.951 0.649 18812 9961 1 19 . 1 1 84 84 THR N N 84 115.300 115.300 118.736 -3.436 18812 9962 1 19 . 1 1 84 84 THR HA H 84 4.590 4.590 4.388 0.202 18812 9963 1 19 . 1 1 84 84 THR C C 84 175.000 175.000 176.088 -1.088 18812 9964 1 19 . 1 1 84 84 THR CA C 84 59.800 59.800 59.397 0.403 18812 9965 1 19 . 1 1 84 84 THR CB C 84 71.700 71.700 70.675 1.025 18812 9966 1 19 . 1 1 84 84 THR H H 84 9.550 9.550 8.619 0.931 18812 9967 1 19 . 1 1 85 85 ALA N N 85 124.400 124.400 127.454 -3.054 18812 9968 1 19 . 1 1 85 85 ALA HA H 85 4.060 4.060 4.063 -0.003 18812 9969 1 19 . 1 1 85 85 ALA C C 85 180.900 180.900 179.482 1.418 18812 9970 1 19 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.500 -0.200 18812 9971 1 19 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.565 -0.565 18812 9972 1 19 . 1 1 85 85 ALA H H 85 8.970 8.970 8.854 0.116 18812 9973 1 19 . 1 1 86 86 GLN N N 86 116.500 116.500 117.847 -1.347 18812 9974 1 19 . 1 1 86 86 GLN HA H 86 4.120 4.120 4.014 0.106 18812 9975 1 19 . 1 1 86 86 GLN CA C 86 58.900 58.900 59.186 -0.286 18812 9976 1 19 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.495 -0.395 18812 9977 1 19 . 1 1 86 86 GLN H H 86 8.680 8.680 8.174 0.506 18812 9978 1 19 . 1 1 87 87 ASP N N 87 122.300 122.300 120.797 1.503 18812 9979 1 19 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.410 0.190 18812 9980 1 19 . 1 1 87 87 ASP C C 87 178.200 178.200 178.625 -0.425 18812 9981 1 19 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.489 0.311 18812 9982 1 19 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.545 -0.845 18812 9983 1 19 . 1 1 87 87 ASP H H 87 7.820 7.820 7.729 0.091 18812 9984 1 19 . 1 1 88 88 ILE N N 88 120.900 120.900 119.931 0.969 18812 9985 1 19 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.750 -0.270 18812 9986 1 19 . 1 1 88 88 ILE C C 88 177.800 177.800 178.222 -0.422 18812 9987 1 19 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.711 1.089 18812 9988 1 19 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.805 0.495 18812 9989 1 19 . 1 1 88 88 ILE H H 88 8.160 8.160 8.167 -0.007 18812 9990 1 19 . 1 1 89 89 SER N N 89 113.200 113.200 115.364 -2.164 18812 9991 1 19 . 1 1 89 89 SER HA H 89 4.240 4.240 4.159 0.081 18812 9992 1 19 . 1 1 89 89 SER C C 89 177.200 177.200 176.804 0.396 18812 9993 1 19 . 1 1 89 89 SER CA C 89 61.700 61.700 61.813 -0.113 18812 9994 1 19 . 1 1 89 89 SER CB C 89 62.700 62.700 63.011 -0.311 18812 9995 1 19 . 1 1 89 89 SER H H 89 7.970 7.970 8.387 -0.417 18812 9996 1 19 . 1 1 90 90 ARG N N 90 123.100 123.100 121.643 1.457 18812 9997 1 19 . 1 1 90 90 ARG HA H 90 4.110 4.110 4.068 0.042 18812 9998 1 19 . 1 1 90 90 ARG CA C 90 59.900 59.900 58.771 1.129 18812 9999 1 19 . 1 1 90 90 ARG CB C 90 31.700 31.700 29.667 2.033 18812 10000 1 19 . 1 1 90 90 ARG H H 90 8.450 8.450 8.028 0.422 18812 10001 1 19 . 1 1 91 91 VAL N N 91 119.200 119.200 119.768 -0.568 18812 10002 1 19 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.591 -0.161 18812 10003 1 19 . 1 1 91 91 VAL C C 91 177.300 177.300 177.808 -0.508 18812 10004 1 19 . 1 1 91 91 VAL CA C 91 66.800 66.800 67.187 -0.387 18812 10005 1 19 . 1 1 91 91 VAL CB C 91 31.700 31.700 31.507 0.193 18812 10006 1 19 . 1 1 91 91 VAL H H 91 8.140 8.140 8.318 -0.178 18812 10007 1 19 . 1 1 92 92 ALA N N 92 121.100 121.100 120.719 0.381 18812 10008 1 19 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.947 0.013 18812 10009 1 19 . 1 1 92 92 ALA C C 92 179.200 179.200 179.879 -0.679 18812 10010 1 19 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.354 0.546 18812 10011 1 19 . 1 1 92 92 ALA CB C 92 18.400 18.400 17.910 0.490 18812 10012 1 19 . 1 1 92 92 ALA H H 92 9.020 9.020 8.329 0.691 18812 10013 1 19 . 1 1 93 93 SER N N 93 112.100 112.100 113.372 -1.272 18812 10014 1 19 . 1 1 93 93 SER HA H 93 4.240 4.240 4.194 0.046 18812 10015 1 19 . 1 1 93 93 SER C C 93 177.300 177.300 176.883 0.417 18812 10016 1 19 . 1 1 93 93 SER CA C 93 62.000 62.000 61.459 0.541 18812 10017 1 19 . 1 1 93 93 SER CB C 93 62.700 62.700 63.144 -0.444 18812 10018 1 19 . 1 1 93 93 SER H H 93 8.730 8.730 8.031 0.699 18812 10019 1 19 . 1 1 94 94 ARG N N 94 122.500 122.500 121.309 1.191 18812 10020 1 19 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.089 0.171 18812 10021 1 19 . 1 1 94 94 ARG C C 94 179.900 179.900 178.912 0.988 18812 10022 1 19 . 1 1 94 94 ARG CA C 94 57.800 57.800 57.904 -0.104 18812 10023 1 19 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.478 -0.278 18812 10024 1 19 . 1 1 94 94 ARG H H 94 7.520 7.520 8.025 -0.505 18812 10025 1 19 . 1 1 95 95 LEU N N 95 121.500 121.500 117.335 4.165 18812 10026 1 19 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.141 0.099 18812 10027 1 19 . 1 1 95 95 LEU C C 95 179.000 179.000 179.097 -0.097 18812 10028 1 19 . 1 1 95 95 LEU CA C 95 58.100 58.100 57.867 0.233 18812 10029 1 19 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.854 0.946 18812 10030 1 19 . 1 1 95 95 LEU H H 95 8.350 8.350 8.092 0.258 18812 10031 1 19 . 1 1 96 96 ALA N N 96 121.900 121.900 121.150 0.750 18812 10032 1 19 . 1 1 96 96 ALA HA H 96 4.320 4.320 4.176 0.144 18812 10033 1 19 . 1 1 96 96 ALA C C 96 182.200 182.200 178.745 3.455 18812 10034 1 19 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.193 0.907 18812 10035 1 19 . 1 1 96 96 ALA CB C 96 18.000 18.000 18.214 -0.214 18812 10036 1 19 . 1 1 96 96 ALA H H 96 8.740 8.740 8.094 0.646 18812 10037 1 19 . 1 1 97 97 ALA N N 97 121.400 121.400 120.375 1.025 18812 10038 1 19 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.277 -0.047 18812 10039 1 19 . 1 1 97 97 ALA C C 97 179.200 179.200 179.677 -0.477 18812 10040 1 19 . 1 1 97 97 ALA CA C 97 54.600 54.600 53.208 1.392 18812 10041 1 19 . 1 1 97 97 ALA CB C 97 18.000 18.000 18.919 -0.919 18812 10042 1 19 . 1 1 97 97 ALA H H 97 8.190 8.190 7.814 0.376 18812 10043 1 19 . 1 1 98 98 GLY N N 98 103.500 103.500 108.400 -4.900 18812 10044 1 19 . 1 1 98 98 GLY C C 98 173.700 173.700 174.253 -0.553 18812 10045 1 19 . 1 1 98 98 GLY CA C 98 44.800 44.800 44.177 0.623 18812 10046 1 19 . 1 1 98 98 GLY H H 98 7.710 7.710 7.832 -0.122 18812 10047 1 19 . 1 1 99 99 GLY N N 99 107.600 107.600 108.891 -1.291 18812 10048 1 19 . 1 1 99 99 GLY CA C 99 45.200 45.200 44.842 0.358 18812 10049 1 19 . 1 1 99 99 GLY H H 99 7.710 7.710 7.640 0.070 18812 10050 1 19 . 1 1 100 100 TRP N N 100 123.600 123.600 127.526 -3.926 18812 10051 1 19 . 1 1 100 100 TRP CB C 100 52.300 52.300 28.402 23.898 18812 10052 1 19 . 1 1 100 100 TRP H H 100 7.820 7.820 8.007 -0.187 18812 10053 1 19 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.227 -0.297 18812 10054 1 19 . 1 1 101 101 PRO C C 101 175.600 175.600 175.858 -0.258 18812 10055 1 19 . 1 1 101 101 PRO CA C 101 62.600 62.600 63.883 -1.283 18812 10056 1 19 . 1 1 101 101 PRO CB C 101 34.200 34.200 31.262 2.938 18812 10057 1 19 . 1 1 102 102 LEU N N 102 122.800 122.800 123.027 -0.227 18812 10058 1 19 . 1 1 102 102 LEU H H 102 8.470 8.470 7.778 0.692 18812 10059 1 19 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.614 0.046 18812 10060 1 19 . 1 1 103 103 ALA C C 103 177.100 177.100 177.599 -0.499 18812 10061 1 19 . 1 1 103 103 ALA CA C 103 51.500 51.500 51.935 -0.435 18812 10062 1 19 . 1 1 103 103 ALA CB C 103 21.700 21.700 18.489 3.211 18812 10063 1 19 . 1 1 104 104 GLY N N 104 108.500 108.500 112.070 -3.570 18812 10064 1 19 . 1 1 104 104 GLY C C 104 173.900 173.900 173.222 0.678 18812 10065 1 19 . 1 1 104 104 GLY CA C 104 45.900 45.900 45.015 0.885 18812 10066 1 19 . 1 1 104 104 GLY H H 104 8.700 8.700 8.386 0.314 18812 10067 1 19 . 1 1 105 105 VAL N N 105 116.700 116.700 119.497 -2.797 18812 10068 1 19 . 1 1 105 105 VAL HA H 105 4.220 4.220 4.244 -0.024 18812 10069 1 19 . 1 1 105 105 VAL C C 105 174.700 174.700 174.999 -0.299 18812 10070 1 19 . 1 1 105 105 VAL CA C 105 61.000 61.000 61.696 -0.696 18812 10071 1 19 . 1 1 105 105 VAL CB C 105 33.100 33.100 31.891 1.209 18812 10072 1 19 . 1 1 105 105 VAL H H 105 7.660 7.660 7.776 -0.116 18812 10073 1 19 . 1 1 106 106 ASP N N 106 125.100 125.100 128.481 -3.381 18812 10074 1 19 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.854 -0.184 18812 10075 1 19 . 1 1 106 106 ASP C C 106 176.500 176.500 176.740 -0.240 18812 10076 1 19 . 1 1 106 106 ASP CA C 106 54.000 54.000 53.635 0.365 18812 10077 1 19 . 1 1 106 106 ASP CB C 106 41.300 41.300 42.676 -1.376 18812 10078 1 19 . 1 1 106 106 ASP H H 106 8.600 8.600 8.484 0.116 18812 10079 1 19 . 1 1 107 107 SER N N 107 117.400 117.400 121.233 -3.833 18812 10080 1 19 . 1 1 107 107 SER HA H 107 4.320 4.320 4.131 0.189 18812 10081 1 19 . 1 1 107 107 SER C C 107 175.400 175.400 175.629 -0.229 18812 10082 1 19 . 1 1 107 107 SER CA C 107 59.500 59.500 61.456 -1.956 18812 10083 1 19 . 1 1 107 107 SER CB C 107 63.200 63.200 63.454 -0.254 18812 10084 1 19 . 1 1 107 107 SER H H 107 8.560 8.560 8.874 -0.314 18812 10085 1 19 . 1 1 108 108 THR N N 108 115.100 115.100 115.804 -0.704 18812 10086 1 19 . 1 1 108 108 THR HA H 108 4.260 4.260 4.105 0.155 18812 10087 1 19 . 1 1 108 108 THR C C 108 174.800 174.800 174.502 0.298 18812 10088 1 19 . 1 1 108 108 THR CA C 108 63.000 63.000 65.151 -2.151 18812 10089 1 19 . 1 1 108 108 THR CB C 108 69.300 69.300 68.479 0.821 18812 10090 1 19 . 1 1 108 108 THR H H 108 8.230 8.230 8.373 -0.143 18812 10091 1 19 . 1 1 109 109 ALA N N 109 125.000 125.000 120.818 4.182 18812 10092 1 19 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.575 -0.215 18812 10093 1 19 . 1 1 109 109 ALA C C 109 177.500 177.500 175.577 1.923 18812 10094 1 19 . 1 1 109 109 ALA CA C 109 52.500 52.500 51.919 0.581 18812 10095 1 19 . 1 1 109 109 ALA CB C 109 19.100 19.100 19.785 -0.685 18812 10096 1 19 . 1 1 109 109 ALA H H 109 8.020 8.020 7.876 0.144 18812 10097 1 19 . 1 1 110 110 LEU N N 110 119.400 119.400 118.371 1.029 18812 10098 1 19 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.607 -0.257 18812 10099 1 19 . 1 1 110 110 LEU C C 110 176.800 176.800 175.025 1.775 18812 10100 1 19 . 1 1 110 110 LEU CA C 110 55.000 55.000 55.639 -0.638 18812 10101 1 19 . 1 1 110 110 LEU CB C 110 42.000 42.000 44.981 -2.981 18812 10102 1 19 . 1 1 110 110 LEU H H 110 7.880 7.880 7.779 0.101 18812 10103 1 19 . 1 1 111 111 ASN N N 111 118.700 118.700 116.294 2.406 18812 10104 1 19 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.848 -0.118 18812 10105 1 19 . 1 1 111 111 ASN C C 111 173.600 173.600 173.252 0.348 18812 10106 1 19 . 1 1 111 111 ASN CA C 111 52.900 52.900 52.315 0.585 18812 10107 1 19 . 1 1 111 111 ASN CB C 111 39.000 39.000 39.400 -0.400 18812 10108 1 19 . 1 1 111 111 ASN H H 111 8.230 8.230 8.312 -0.082 18812 10109 1 20 . 1 1 10 10 GLY C C 10 174.100 174.100 174.275 -0.175 18812 10110 1 20 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.154 1.146 18812 10111 1 20 . 1 1 10 10 GLY H H 10 8.500 8.500 8.537 -0.037 18812 10112 1 20 . 1 1 11 11 THR N N 11 113.700 113.700 116.633 -2.933 18812 10113 1 20 . 1 1 11 11 THR HA H 11 4.350 4.350 4.551 -0.201 18812 10114 1 20 . 1 1 11 11 THR C C 11 174.700 174.700 173.943 0.757 18812 10115 1 20 . 1 1 11 11 THR CA C 11 62.000 62.000 62.301 -0.301 18812 10116 1 20 . 1 1 11 11 THR CB C 11 69.800 69.800 68.787 1.013 18812 10117 1 20 . 1 1 11 11 THR H H 11 8.100 8.100 8.376 -0.276 18812 10118 1 20 . 1 1 12 12 LEU N N 12 124.100 124.100 128.014 -3.914 18812 10119 1 20 . 1 1 12 12 LEU C C 12 177.600 177.600 175.814 1.786 18812 10120 1 20 . 1 1 12 12 LEU CA C 12 55.400 55.400 55.006 0.394 18812 10121 1 20 . 1 1 12 12 LEU CB C 12 42.000 42.000 43.181 -1.181 18812 10122 1 20 . 1 1 12 12 LEU H H 12 8.380 8.380 8.447 -0.067 18812 10123 1 20 . 1 1 13 13 GLU N N 13 121.500 121.500 123.905 -2.405 18812 10124 1 20 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.549 -0.329 18812 10125 1 20 . 1 1 13 13 GLU C C 13 176.300 176.300 175.798 0.502 18812 10126 1 20 . 1 1 13 13 GLU CA C 13 56.900 56.900 55.329 1.571 18812 10127 1 20 . 1 1 13 13 GLU CB C 13 29.600 29.600 30.071 -0.471 18812 10128 1 20 . 1 1 13 13 GLU H H 13 8.440 8.440 8.462 -0.022 18812 10129 1 20 . 1 1 14 14 ALA N N 14 124.300 124.300 128.461 -4.161 18812 10130 1 20 . 1 1 14 14 ALA CA C 14 52.600 52.600 52.385 0.215 18812 10131 1 20 . 1 1 14 14 ALA CB C 14 19.000 19.000 18.048 0.952 18812 10132 1 20 . 1 1 14 14 ALA H H 14 8.280 8.280 8.547 -0.267 18812 10133 1 20 . 1 1 15 15 GLN N N 15 118.700 118.700 122.471 -3.771 18812 10134 1 20 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.569 -0.169 18812 10135 1 20 . 1 1 15 15 GLN C C 15 176.300 176.300 174.327 1.973 18812 10136 1 20 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.262 0.538 18812 10137 1 20 . 1 1 15 15 GLN CB C 15 29.300 29.300 30.886 -1.585 18812 10138 1 20 . 1 1 15 15 GLN H H 15 8.360 8.360 8.013 0.347 18812 10139 1 20 . 1 1 16 16 THR N N 16 114.800 114.800 116.487 -1.687 18812 10140 1 20 . 1 1 16 16 THR C C 16 174.400 174.400 172.548 1.852 18812 10141 1 20 . 1 1 16 16 THR CA C 16 62.000 62.000 62.232 -0.232 18812 10142 1 20 . 1 1 16 16 THR CB C 16 69.700 69.700 69.889 -0.189 18812 10143 1 20 . 1 1 16 16 THR H H 16 8.200 8.200 8.387 -0.188 18812 10144 1 20 . 1 1 17 17 GLN N N 17 122.200 122.200 126.959 -4.759 18812 10145 1 20 . 1 1 17 17 GLN C C 17 175.900 175.900 173.883 2.017 18812 10146 1 20 . 1 1 17 17 GLN CA C 17 55.500 55.500 55.030 0.470 18812 10147 1 20 . 1 1 17 17 GLN CB C 17 29.600 29.600 31.006 -1.406 18812 10148 1 20 . 1 1 17 17 GLN H H 17 8.430 8.430 8.574 -0.144 18812 10149 1 20 . 1 1 18 18 GLY N N 18 110.100 110.100 110.422 -0.322 18812 10150 1 20 . 1 1 18 18 GLY CA C 18 44.500 44.500 44.977 -0.477 18812 10151 1 20 . 1 1 18 18 GLY H H 18 8.360 8.360 8.349 0.011 18812 10152 1 20 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.365 0.095 18812 10153 1 20 . 1 1 19 19 PRO C C 19 177.700 177.700 177.238 0.462 18812 10154 1 20 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.453 0.147 18812 10155 1 20 . 1 1 19 19 PRO CB C 19 31.900 31.900 31.357 0.543 18812 10156 1 20 . 1 1 20 20 GLY N N 20 109.600 109.600 115.051 -5.451 18812 10157 1 20 . 1 1 20 20 GLY C C 20 174.100 174.100 173.879 0.221 18812 10158 1 20 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.879 -0.679 18812 10159 1 20 . 1 1 20 20 GLY H H 20 8.630 8.630 8.532 0.098 18812 10160 1 20 . 1 1 21 21 SER N N 21 115.300 115.300 117.842 -2.542 18812 10161 1 20 . 1 1 21 21 SER HA H 21 4.460 4.460 4.891 -0.431 18812 10162 1 20 . 1 1 21 21 SER C C 21 174.100 174.100 172.283 1.817 18812 10163 1 20 . 1 1 21 21 SER CA C 21 58.300 58.300 57.105 1.196 18812 10164 1 20 . 1 1 21 21 SER CB C 21 63.900 63.900 64.709 -0.809 18812 10165 1 20 . 1 1 21 21 SER H H 21 8.150 8.150 8.146 0.004 18812 10166 1 20 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.544 -0.104 18812 10167 1 20 . 1 1 22 22 PRO C C 22 176.800 176.800 175.635 1.165 18812 10168 1 20 . 1 1 22 22 PRO CA C 22 63.100 63.100 63.126 -0.026 18812 10169 1 20 . 1 1 22 22 PRO CB C 22 32.100 32.100 32.384 -0.284 18812 10170 1 20 . 1 1 23 23 GLU N N 23 120.900 120.900 124.942 -4.042 18812 10171 1 20 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.428 -0.148 18812 10172 1 20 . 1 1 23 23 GLU C C 23 177.000 177.000 176.770 0.230 18812 10173 1 20 . 1 1 23 23 GLU CA C 23 56.600 56.600 56.151 0.449 18812 10174 1 20 . 1 1 23 23 GLU CB C 23 30.400 30.400 32.039 -1.639 18812 10175 1 20 . 1 1 23 23 GLU H H 23 8.630 8.630 8.539 0.091 18812 10176 1 20 . 1 1 24 24 GLY N N 24 109.800 109.800 113.437 -3.637 18812 10177 1 20 . 1 1 24 24 GLY C C 24 173.600 173.600 174.591 -0.991 18812 10178 1 20 . 1 1 24 24 GLY CA C 24 45.100 45.100 45.244 -0.144 18812 10179 1 20 . 1 1 24 24 GLY H H 24 8.450 8.450 8.680 -0.230 18812 10180 1 20 . 1 1 25 25 VAL N N 25 120.600 120.600 118.721 1.879 18812 10181 1 20 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.557 -0.097 18812 10182 1 20 . 1 1 25 25 VAL CA C 25 59.700 59.700 59.483 0.217 18812 10183 1 20 . 1 1 25 25 VAL CB C 25 32.600 32.600 31.741 0.859 18812 10184 1 20 . 1 1 25 25 VAL H H 25 7.990 7.990 7.575 0.415 18812 10185 1 20 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.405 0.115 18812 10186 1 20 . 1 1 27 27 PRO C C 27 177.200 177.200 176.190 1.010 18812 10187 1 20 . 1 1 27 27 PRO CA C 27 63.100 63.100 63.245 -0.145 18812 10188 1 20 . 1 1 27 27 PRO CB C 27 32.000 32.000 31.713 0.287 18812 10189 1 20 . 1 1 28 28 THR N N 28 113.000 113.000 107.214 5.786 18812 10190 1 20 . 1 1 28 28 THR HA H 28 4.270 4.270 3.946 0.324 18812 10191 1 20 . 1 1 28 28 THR C C 28 174.400 174.400 173.991 0.409 18812 10192 1 20 . 1 1 28 28 THR CA C 28 62.000 62.000 63.734 -1.734 18812 10193 1 20 . 1 1 28 28 THR CB C 28 69.700 69.700 67.471 2.229 18812 10194 1 20 . 1 1 28 28 THR H H 28 8.160 8.160 8.373 -0.213 18812 10195 1 20 . 1 1 29 29 ASP N N 29 122.100 122.100 121.358 0.742 18812 10196 1 20 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.569 0.011 18812 10197 1 20 . 1 1 29 29 ASP CA C 29 54.300 54.300 53.622 0.678 18812 10198 1 20 . 1 1 29 29 ASP CB C 29 40.900 40.900 41.368 -0.468 18812 10199 1 20 . 1 1 29 29 ASP H H 29 8.290 8.290 8.139 0.151 18812 10200 1 20 . 1 1 30 30 ARG N N 30 120.300 120.300 119.186 1.114 18812 10201 1 20 . 1 1 30 30 ARG HA H 30 4.190 4.190 3.924 0.266 18812 10202 1 20 . 1 1 30 30 ARG C C 30 175.600 175.600 175.849 -0.249 18812 10203 1 20 . 1 1 30 30 ARG CA C 30 56.200 56.200 56.892 -0.692 18812 10204 1 20 . 1 1 30 30 ARG CB C 30 30.800 30.800 30.530 0.270 18812 10205 1 20 . 1 1 30 30 ARG H H 30 8.070 8.070 7.596 0.474 18812 10206 1 20 . 1 1 31 31 PHE N N 31 120.500 120.500 114.788 5.712 18812 10207 1 20 . 1 1 31 31 PHE CB C 31 38.800 38.800 37.117 1.683 18812 10208 1 20 . 1 1 31 31 PHE H H 31 8.240 8.240 8.313 -0.073 18812 10209 1 20 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.324 0.116 18812 10210 1 20 . 1 1 32 32 PRO C C 32 177.200 177.200 175.884 1.316 18812 10211 1 20 . 1 1 32 32 PRO CA C 32 63.400 63.400 63.139 0.261 18812 10212 1 20 . 1 1 32 32 PRO CB C 32 31.700 31.700 31.921 -0.221 18812 10213 1 20 . 1 1 33 33 LEU N N 33 121.000 121.000 122.346 -1.346 18812 10214 1 20 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.594 -0.264 18812 10215 1 20 . 1 1 33 33 LEU CA C 33 55.600 55.600 53.493 2.107 18812 10216 1 20 . 1 1 33 33 LEU CB C 33 42.100 42.100 43.872 -1.772 18812 10217 1 20 . 1 1 33 33 LEU H H 33 8.290 8.290 7.626 0.664 18812 10218 1 20 . 1 1 34 34 LEU N N 34 122.100 122.100 123.185 -1.085 18812 10219 1 20 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.627 -0.317 18812 10220 1 20 . 1 1 34 34 LEU C C 34 177.300 177.300 175.885 1.415 18812 10221 1 20 . 1 1 34 34 LEU CA C 34 55.200 55.200 53.182 2.018 18812 10222 1 20 . 1 1 34 34 LEU CB C 34 41.900 41.900 39.235 2.665 18812 10223 1 20 . 1 1 34 34 LEU H H 34 8.110 8.110 8.926 -0.816 18812 10224 1 20 . 1 1 35 35 ALA N N 35 123.400 123.400 124.646 -1.246 18812 10225 1 20 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.350 -0.070 18812 10226 1 20 . 1 1 35 35 ALA C C 35 177.600 177.600 176.448 1.152 18812 10227 1 20 . 1 1 35 35 ALA CA C 35 52.700 52.700 52.719 -0.019 18812 10228 1 20 . 1 1 35 35 ALA CB C 35 18.800 18.800 17.587 1.213 18812 10229 1 20 . 1 1 35 35 ALA H H 35 8.140 8.140 7.765 0.375 18812 10230 1 20 . 1 1 36 36 LEU N N 36 120.000 120.000 119.967 0.033 18812 10231 1 20 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.699 -0.439 18812 10232 1 20 . 1 1 36 36 LEU CA C 36 55.500 55.500 53.399 2.101 18812 10233 1 20 . 1 1 36 36 LEU CB C 36 42.000 42.000 43.093 -1.093 18812 10234 1 20 . 1 1 36 36 LEU H H 36 7.990 7.990 8.208 -0.218 18812 10235 1 20 . 1 1 37 37 LEU N N 37 122.700 122.700 122.394 0.306 18812 10236 1 20 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.307 0.073 18812 10237 1 20 . 1 1 37 37 LEU C C 37 177.100 177.100 176.353 0.747 18812 10238 1 20 . 1 1 37 37 LEU CA C 37 55.000 55.000 55.523 -0.523 18812 10239 1 20 . 1 1 37 37 LEU CB C 37 42.100 42.100 39.250 2.850 18812 10240 1 20 . 1 1 37 37 LEU H H 37 8.190 8.190 8.347 -0.157 18812 10241 1 20 . 1 1 38 38 ARG N N 38 121.600 121.600 123.988 -2.388 18812 10242 1 20 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.708 -0.238 18812 10243 1 20 . 1 1 38 38 ARG C C 38 176.200 176.200 175.615 0.585 18812 10244 1 20 . 1 1 38 38 ARG CA C 38 55.100 55.100 54.006 1.094 18812 10245 1 20 . 1 1 38 38 ARG CB C 38 31.200 31.200 33.249 -2.049 18812 10246 1 20 . 1 1 38 38 ARG H H 38 8.040 8.040 8.059 -0.019 18812 10247 1 20 . 1 1 39 39 ARG N N 39 123.600 123.600 119.641 3.959 18812 10248 1 20 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.381 -0.011 18812 10249 1 20 . 1 1 39 39 ARG C C 39 175.500 175.500 176.615 -1.115 18812 10250 1 20 . 1 1 39 39 ARG CA C 39 56.700 56.700 57.441 -0.741 18812 10251 1 20 . 1 1 39 39 ARG CB C 39 31.200 31.200 30.787 0.413 18812 10252 1 20 . 1 1 39 39 ARG H H 39 8.840 8.840 8.524 0.316 18812 10253 1 20 . 1 1 40 40 THR N N 40 113.900 113.900 114.276 -0.376 18812 10254 1 20 . 1 1 40 40 THR HA H 40 4.770 4.770 4.239 0.531 18812 10255 1 20 . 1 1 40 40 THR C C 40 175.300 175.300 173.846 1.454 18812 10256 1 20 . 1 1 40 40 THR CA C 40 59.500 59.500 62.206 -2.706 18812 10257 1 20 . 1 1 40 40 THR CB C 40 71.700 71.700 68.740 2.960 18812 10258 1 20 . 1 1 40 40 THR H H 40 8.150 8.150 7.976 0.174 18812 10259 1 20 . 1 1 41 41 LEU N N 41 123.100 123.100 129.892 -6.792 18812 10260 1 20 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.441 0.029 18812 10261 1 20 . 1 1 41 41 LEU C C 41 179.700 179.700 176.259 3.441 18812 10262 1 20 . 1 1 41 41 LEU CA C 41 54.900 54.900 54.342 0.558 18812 10263 1 20 . 1 1 41 41 LEU CB C 41 43.000 43.000 40.911 2.089 18812 10264 1 20 . 1 1 41 41 LEU H H 41 9.480 9.480 8.701 0.779 18812 10265 1 20 . 1 1 42 42 THR N N 42 115.100 115.100 118.545 -3.445 18812 10266 1 20 . 1 1 42 42 THR HA H 42 4.580 4.580 4.240 0.340 18812 10267 1 20 . 1 1 42 42 THR C C 42 175.400 175.400 175.972 -0.572 18812 10268 1 20 . 1 1 42 42 THR CA C 42 60.900 60.900 61.380 -0.480 18812 10269 1 20 . 1 1 42 42 THR CB C 42 70.600 70.600 70.893 -0.293 18812 10270 1 20 . 1 1 42 42 THR H H 42 8.790 8.790 7.773 1.017 18812 10271 1 20 . 1 1 43 43 GLU N N 43 121.400 121.400 121.311 0.089 18812 10272 1 20 . 1 1 43 43 GLU HA H 43 4.020 4.020 4.005 0.016 18812 10273 1 20 . 1 1 43 43 GLU C C 43 179.100 179.100 178.426 0.674 18812 10274 1 20 . 1 1 43 43 GLU CA C 43 59.700 59.700 60.625 -0.925 18812 10275 1 20 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.558 -0.658 18812 10276 1 20 . 1 1 43 43 GLU H H 43 9.020 9.020 8.978 0.042 18812 10277 1 20 . 1 1 44 44 GLU N N 44 118.300 118.300 117.829 0.471 18812 10278 1 20 . 1 1 44 44 GLU HA H 44 4.020 4.020 4.073 -0.053 18812 10279 1 20 . 1 1 44 44 GLU C C 44 179.700 179.700 179.341 0.359 18812 10280 1 20 . 1 1 44 44 GLU CA C 44 60.200 60.200 60.009 0.191 18812 10281 1 20 . 1 1 44 44 GLU CB C 44 29.000 29.000 28.863 0.137 18812 10282 1 20 . 1 1 44 44 GLU H H 44 8.810 8.810 8.589 0.221 18812 10283 1 20 . 1 1 45 45 GLN N N 45 119.300 119.300 118.491 0.809 18812 10284 1 20 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.165 0.055 18812 10285 1 20 . 1 1 45 45 GLN C C 45 178.500 178.500 178.550 -0.050 18812 10286 1 20 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.393 -0.093 18812 10287 1 20 . 1 1 45 45 GLN CB C 45 29.200 29.200 27.997 1.203 18812 10288 1 20 . 1 1 45 45 GLN H H 45 7.800 7.800 7.663 0.137 18812 10289 1 20 . 1 1 46 46 VAL N N 46 121.000 121.000 121.238 -0.238 18812 10290 1 20 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.700 -0.300 18812 10291 1 20 . 1 1 46 46 VAL C C 46 177.500 177.500 178.331 -0.831 18812 10292 1 20 . 1 1 46 46 VAL CA C 46 67.600 67.600 66.500 1.100 18812 10293 1 20 . 1 1 46 46 VAL CB C 46 31.300 31.300 30.794 0.506 18812 10294 1 20 . 1 1 46 46 VAL H H 46 8.420 8.420 8.475 -0.055 18812 10295 1 20 . 1 1 47 47 GLN N N 47 115.900 115.900 118.049 -2.149 18812 10296 1 20 . 1 1 47 47 GLN HA H 47 3.890 3.890 3.986 -0.096 18812 10297 1 20 . 1 1 47 47 GLN C C 47 178.500 178.500 178.557 -0.057 18812 10298 1 20 . 1 1 47 47 GLN CA C 47 58.800 58.800 58.712 0.087 18812 10299 1 20 . 1 1 47 47 GLN CB C 47 27.700 27.700 27.903 -0.203 18812 10300 1 20 . 1 1 47 47 GLN H H 47 7.470 7.470 8.349 -0.879 18812 10301 1 20 . 1 1 48 48 GLU N N 48 121.400 121.400 120.913 0.487 18812 10302 1 20 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.054 0.066 18812 10303 1 20 . 1 1 48 48 GLU C C 48 178.500 178.500 178.854 -0.354 18812 10304 1 20 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.624 -0.324 18812 10305 1 20 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.383 0.417 18812 10306 1 20 . 1 1 48 48 GLU H H 48 7.940 7.940 8.024 -0.084 18812 10307 1 20 . 1 1 49 49 VAL N N 49 120.300 120.300 120.289 0.011 18812 10308 1 20 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.708 -0.118 18812 10309 1 20 . 1 1 49 49 VAL CA C 49 67.200 67.200 66.525 0.675 18812 10310 1 20 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.859 -0.359 18812 10311 1 20 . 1 1 49 49 VAL H H 49 8.580 8.580 8.295 0.285 18812 10312 1 20 . 1 1 50 50 VAL N N 50 118.700 118.700 119.209 -0.509 18812 10313 1 20 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.673 -0.453 18812 10314 1 20 . 1 1 50 50 VAL C C 50 178.600 178.600 177.909 0.691 18812 10315 1 20 . 1 1 50 50 VAL CA C 50 67.500 67.500 66.588 0.912 18812 10316 1 20 . 1 1 50 50 VAL CB C 50 31.400 31.400 30.733 0.667 18812 10317 1 20 . 1 1 50 50 VAL H H 50 8.350 8.350 8.222 0.128 18812 10318 1 20 . 1 1 51 51 ALA N N 51 123.200 123.200 123.016 0.184 18812 10319 1 20 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.129 -0.299 18812 10320 1 20 . 1 1 51 51 ALA C C 51 180.100 180.100 179.072 1.028 18812 10321 1 20 . 1 1 51 51 ALA CA C 51 55.300 55.300 55.017 0.284 18812 10322 1 20 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.721 -1.021 18812 10323 1 20 . 1 1 51 51 ALA H H 51 8.320 8.320 8.120 0.200 18812 10324 1 20 . 1 1 52 52 LYS N N 52 117.200 117.200 116.883 0.317 18812 10325 1 20 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.201 -0.081 18812 10326 1 20 . 1 1 52 52 LYS C C 52 180.200 180.200 178.798 1.402 18812 10327 1 20 . 1 1 52 52 LYS CA C 52 59.200 59.200 58.884 0.316 18812 10328 1 20 . 1 1 52 52 LYS CB C 52 32.700 32.700 32.850 -0.150 18812 10329 1 20 . 1 1 52 52 LYS H H 52 8.170 8.170 7.996 0.174 18812 10330 1 20 . 1 1 53 53 LEU N N 53 118.600 118.600 121.891 -3.291 18812 10331 1 20 . 1 1 53 53 LEU HA H 53 3.390 3.390 3.824 -0.434 18812 10332 1 20 . 1 1 53 53 LEU C C 53 176.300 176.300 177.258 -0.958 18812 10333 1 20 . 1 1 53 53 LEU CA C 53 56.300 56.300 57.214 -0.914 18812 10334 1 20 . 1 1 53 53 LEU CB C 53 44.300 44.300 41.347 2.953 18812 10335 1 20 . 1 1 53 53 LEU H H 53 8.170 8.170 8.543 -0.373 18812 10336 1 20 . 1 1 54 54 THR N N 54 103.000 103.000 106.831 -3.831 18812 10337 1 20 . 1 1 54 54 THR HA H 54 3.490 3.490 4.139 -0.649 18812 10338 1 20 . 1 1 54 54 THR C C 54 173.600 173.600 174.987 -1.387 18812 10339 1 20 . 1 1 54 54 THR CA C 54 60.800 60.800 62.559 -1.759 18812 10340 1 20 . 1 1 54 54 THR CB C 54 69.700 69.700 68.869 0.831 18812 10341 1 20 . 1 1 54 54 THR H H 54 6.990 6.990 7.750 -0.760 18812 10342 1 20 . 1 1 55 55 ASP N N 55 126.400 126.400 123.737 2.663 18812 10343 1 20 . 1 1 55 55 ASP HA H 55 4.630 4.630 5.015 -0.385 18812 10344 1 20 . 1 1 55 55 ASP CA C 55 52.600 52.600 50.919 1.681 18812 10345 1 20 . 1 1 55 55 ASP CB C 55 42.200 42.200 42.512 -0.312 18812 10346 1 20 . 1 1 55 55 ASP H H 55 6.900 6.900 7.734 -0.834 18812 10347 1 20 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.200 0.140 18812 10348 1 20 . 1 1 56 56 PRO C C 56 178.500 178.500 178.444 0.056 18812 10349 1 20 . 1 1 56 56 PRO CA C 56 65.100 65.100 64.865 0.235 18812 10350 1 20 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.229 -0.129 18812 10351 1 20 . 1 1 57 57 GLU N N 57 115.700 115.700 119.501 -3.801 18812 10352 1 20 . 1 1 57 57 GLU C C 57 176.300 176.300 178.097 -1.797 18812 10353 1 20 . 1 1 57 57 GLU CA C 57 59.600 59.600 59.010 0.590 18812 10354 1 20 . 1 1 57 57 GLU CB C 57 29.400 29.400 28.772 0.628 18812 10355 1 20 . 1 1 57 57 GLU H H 57 8.640 8.640 8.502 0.138 18812 10356 1 20 . 1 1 58 58 SER N N 58 115.000 115.000 114.739 0.261 18812 10357 1 20 . 1 1 58 58 SER HA H 58 4.260 4.260 4.336 -0.076 18812 10358 1 20 . 1 1 58 58 SER C C 58 177.400 177.400 177.040 0.360 18812 10359 1 20 . 1 1 58 58 SER CA C 58 62.900 62.900 61.455 1.445 18812 10360 1 20 . 1 1 58 58 SER CB C 58 69.300 69.300 63.421 5.879 18812 10361 1 20 . 1 1 58 58 SER H H 58 8.180 8.180 8.368 -0.188 18812 10362 1 20 . 1 1 60 60 ALA N N 60 123.000 123.000 121.980 1.020 18812 10363 1 20 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.192 0.438 18812 10364 1 20 . 1 1 60 60 ALA C C 60 180.600 180.600 178.484 2.116 18812 10365 1 20 . 1 1 60 60 ALA CA C 60 53.600 53.600 54.279 -0.679 18812 10366 1 20 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.417 0.783 18812 10367 1 20 . 1 1 60 60 ALA H H 60 8.020 8.020 8.071 -0.051 18812 10368 1 20 . 1 1 61 61 GLN N N 61 114.000 114.000 117.058 -3.058 18812 10369 1 20 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.241 -0.221 18812 10370 1 20 . 1 1 61 61 GLN C C 61 176.900 176.900 177.207 -0.307 18812 10371 1 20 . 1 1 61 61 GLN CA C 61 54.900 54.900 57.032 -2.132 18812 10372 1 20 . 1 1 61 61 GLN CB C 61 28.500 28.500 28.806 -0.306 18812 10373 1 20 . 1 1 61 61 GLN H H 61 7.500 7.500 7.744 -0.244 18812 10374 1 20 . 1 1 62 62 ILE N N 62 123.900 123.900 120.701 3.199 18812 10375 1 20 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.908 -0.128 18812 10376 1 20 . 1 1 62 62 ILE C C 62 176.800 176.800 177.657 -0.857 18812 10377 1 20 . 1 1 62 62 ILE CA C 62 65.900 65.900 63.653 2.247 18812 10378 1 20 . 1 1 62 62 ILE CB C 62 37.700 37.700 38.125 -0.425 18812 10379 1 20 . 1 1 62 62 ILE H H 62 7.240 7.240 7.723 -0.483 18812 10380 1 20 . 1 1 63 63 ASP N N 63 114.100 114.100 117.975 -3.875 18812 10381 1 20 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.737 0.073 18812 10382 1 20 . 1 1 63 63 ASP C C 63 177.500 177.500 176.897 0.603 18812 10383 1 20 . 1 1 63 63 ASP CA C 63 51.700 51.700 54.353 -2.653 18812 10384 1 20 . 1 1 63 63 ASP CB C 63 40.300 40.300 41.578 -1.278 18812 10385 1 20 . 1 1 63 63 ASP H H 63 7.860 7.860 7.875 -0.015 18812 10386 1 20 . 1 1 64 64 GLY N N 64 104.800 104.800 107.077 -2.277 18812 10387 1 20 . 1 1 64 64 GLY C C 64 173.400 173.400 173.728 -0.328 18812 10388 1 20 . 1 1 64 64 GLY CA C 64 45.900 45.900 45.841 0.059 18812 10389 1 20 . 1 1 64 64 GLY H H 64 7.860 7.860 8.393 -0.533 18812 10390 1 20 . 1 1 65 65 VAL N N 65 117.700 117.700 117.897 -0.197 18812 10391 1 20 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.315 0.185 18812 10392 1 20 . 1 1 65 65 VAL C C 65 173.300 173.300 174.293 -0.993 18812 10393 1 20 . 1 1 65 65 VAL CA C 65 60.100 60.100 60.525 -0.425 18812 10394 1 20 . 1 1 65 65 VAL CB C 65 36.100 36.100 34.142 1.958 18812 10395 1 20 . 1 1 65 65 VAL H H 65 7.550 7.550 7.312 0.238 18812 10396 1 20 . 1 1 66 66 VAL N N 66 129.500 129.500 127.046 2.454 18812 10397 1 20 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.263 0.467 18812 10398 1 20 . 1 1 66 66 VAL C C 66 174.300 174.300 174.437 -0.137 18812 10399 1 20 . 1 1 66 66 VAL CA C 66 61.500 61.500 62.601 -1.101 18812 10400 1 20 . 1 1 66 66 VAL CB C 66 31.800 31.800 30.378 1.422 18812 10401 1 20 . 1 1 66 66 VAL H H 66 8.540 8.540 8.343 0.197 18812 10402 1 20 . 1 1 67 67 SER N N 67 123.500 123.500 124.718 -1.218 18812 10403 1 20 . 1 1 67 67 SER HA H 67 5.510 5.510 4.795 0.715 18812 10404 1 20 . 1 1 67 67 SER CA C 67 55.700 55.700 57.143 -1.443 18812 10405 1 20 . 1 1 67 67 SER CB C 67 66.100 66.100 66.353 -0.253 18812 10406 1 20 . 1 1 67 67 SER H H 67 9.370 9.370 8.005 1.365 18812 10407 1 20 . 1 1 68 68 LYS C C 68 177.100 177.100 177.654 -0.554 18812 10408 1 20 . 1 1 69 69 ASP N N 69 114.800 114.800 117.965 -3.165 18812 10409 1 20 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.593 -0.143 18812 10410 1 20 . 1 1 69 69 ASP C C 69 178.800 178.800 178.540 0.260 18812 10411 1 20 . 1 1 69 69 ASP CA C 69 56.900 56.900 57.735 -0.835 18812 10412 1 20 . 1 1 69 69 ASP CB C 69 40.400 40.400 40.365 0.035 18812 10413 1 20 . 1 1 69 69 ASP H H 69 8.420 8.420 8.535 -0.115 18812 10414 1 20 . 1 1 70 70 GLU N N 70 120.300 120.300 120.024 0.276 18812 10415 1 20 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.070 0.080 18812 10416 1 20 . 1 1 70 70 GLU C C 70 178.000 178.000 178.545 -0.545 18812 10417 1 20 . 1 1 70 70 GLU CA C 70 59.200 59.200 59.227 -0.028 18812 10418 1 20 . 1 1 70 70 GLU CB C 70 28.600 28.600 29.218 -0.618 18812 10419 1 20 . 1 1 70 70 GLU H H 70 7.600 7.600 8.467 -0.867 18812 10420 1 20 . 1 1 71 71 ILE N N 71 119.100 119.100 121.536 -2.436 18812 10421 1 20 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.566 -0.136 18812 10422 1 20 . 1 1 71 71 ILE C C 71 177.300 177.300 178.303 -1.003 18812 10423 1 20 . 1 1 71 71 ILE CA C 71 67.300 67.300 64.948 2.352 18812 10424 1 20 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.744 0.056 18812 10425 1 20 . 1 1 71 71 ILE H H 71 8.050 8.050 7.766 0.284 18812 10426 1 20 . 1 1 72 72 GLU N N 72 116.200 116.200 119.108 -2.908 18812 10427 1 20 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.874 -0.224 18812 10428 1 20 . 1 1 72 72 GLU C C 72 178.000 178.000 178.915 -0.915 18812 10429 1 20 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.745 1.255 18812 10430 1 20 . 1 1 72 72 GLU CB C 72 30.200 30.200 29.174 1.026 18812 10431 1 20 . 1 1 72 72 GLU H H 72 8.460 8.460 7.885 0.575 18812 10432 1 20 . 1 1 73 73 LYS N N 73 118.600 118.600 120.226 -1.626 18812 10433 1 20 . 1 1 73 73 LYS C C 73 179.000 179.000 179.255 -0.255 18812 10434 1 20 . 1 1 73 73 LYS CA C 73 59.400 59.400 59.500 -0.100 18812 10435 1 20 . 1 1 73 73 LYS CB C 73 32.600 32.600 32.567 0.033 18812 10436 1 20 . 1 1 73 73 LYS H H 73 8.020 8.020 8.257 -0.237 18812 10437 1 20 . 1 1 74 74 PHE N N 74 118.500 118.500 117.681 0.819 18812 10438 1 20 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.277 0.043 18812 10439 1 20 . 1 1 74 74 PHE C C 74 179.400 179.400 178.174 1.226 18812 10440 1 20 . 1 1 74 74 PHE CA C 74 61.300 61.300 60.944 0.356 18812 10441 1 20 . 1 1 74 74 PHE CB C 74 38.300 38.300 38.671 -0.371 18812 10442 1 20 . 1 1 74 74 PHE H H 74 8.870 8.870 8.449 0.421 18812 10443 1 20 . 1 1 75 75 ILE N N 75 119.000 119.000 119.629 -0.629 18812 10444 1 20 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.623 0.147 18812 10445 1 20 . 1 1 75 75 ILE C C 75 177.900 177.900 178.225 -0.325 18812 10446 1 20 . 1 1 75 75 ILE CA C 75 66.800 66.800 65.175 1.625 18812 10447 1 20 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.804 0.696 18812 10448 1 20 . 1 1 75 75 ILE H H 75 8.570 8.570 8.216 0.354 18812 10449 1 20 . 1 1 76 76 ALA N N 76 122.200 122.200 122.173 0.027 18812 10450 1 20 . 1 1 76 76 ALA HA H 76 4.570 4.570 3.931 0.639 18812 10451 1 20 . 1 1 76 76 ALA C C 76 181.000 181.000 179.076 1.924 18812 10452 1 20 . 1 1 76 76 ALA CA C 76 54.600 54.600 54.795 -0.195 18812 10453 1 20 . 1 1 76 76 ALA CB C 76 18.400 18.400 18.035 0.365 18812 10454 1 20 . 1 1 76 76 ALA H H 76 8.230 8.230 8.242 -0.012 18812 10455 1 20 . 1 1 77 77 ASP N N 77 117.200 117.200 118.514 -1.314 18812 10456 1 20 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.344 0.096 18812 10457 1 20 . 1 1 77 77 ASP C C 77 177.200 177.200 177.354 -0.154 18812 10458 1 20 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.535 0.165 18812 10459 1 20 . 1 1 77 77 ASP CB C 77 41.100 41.100 40.934 0.165 18812 10460 1 20 . 1 1 77 77 ASP H H 77 7.900 7.900 8.098 -0.198 18812 10461 1 20 . 1 1 78 78 VAL N N 78 118.100 118.100 117.892 0.208 18812 10462 1 20 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.153 -0.183 18812 10463 1 20 . 1 1 78 78 VAL C C 78 177.800 177.800 175.300 2.500 18812 10464 1 20 . 1 1 78 78 VAL CA C 78 64.800 64.800 61.975 2.825 18812 10465 1 20 . 1 1 78 78 VAL CB C 78 32.700 32.700 30.876 1.824 18812 10466 1 20 . 1 1 78 78 VAL H H 78 7.730 7.730 7.621 0.109 18812 10467 1 20 . 1 1 79 79 THR N N 79 109.800 109.800 111.722 -1.922 18812 10468 1 20 . 1 1 79 79 THR HA H 79 4.100 4.100 3.933 0.167 18812 10469 1 20 . 1 1 79 79 THR C C 79 175.700 175.700 174.407 1.293 18812 10470 1 20 . 1 1 79 79 THR CA C 79 69.400 69.400 64.209 5.191 18812 10471 1 20 . 1 1 79 79 THR CB C 79 63.100 63.100 67.591 -4.491 18812 10472 1 20 . 1 1 79 79 THR H H 79 8.830 8.830 7.955 0.875 18812 10473 1 20 . 1 1 80 80 LYS N N 80 115.700 115.700 119.265 -3.565 18812 10474 1 20 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.255 -0.245 18812 10475 1 20 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.552 -1.852 18812 10476 1 20 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.740 -4.340 18812 10477 1 20 . 1 1 80 80 LYS H H 80 8.440 8.440 7.911 0.529 18812 10478 1 20 . 1 1 81 81 ASP N N 81 119.600 119.600 116.954 2.646 18812 10479 1 20 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.356 0.494 18812 10480 1 20 . 1 1 81 81 ASP C C 81 174.400 174.400 175.446 -1.046 18812 10481 1 20 . 1 1 81 81 ASP CA C 81 51.200 51.200 56.828 -5.628 18812 10482 1 20 . 1 1 81 81 ASP CB C 81 44.400 44.400 40.184 4.216 18812 10483 1 20 . 1 1 81 81 ASP H H 81 8.140 8.140 8.314 -0.174 18812 10484 1 20 . 1 1 82 82 GLU N N 82 120.500 120.500 120.383 0.117 18812 10485 1 20 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.875 -0.425 18812 10486 1 20 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.226 0.974 18812 10487 1 20 . 1 1 82 82 GLU CB C 82 29.900 29.900 31.177 -1.276 18812 10488 1 20 . 1 1 82 82 GLU H H 82 8.810 8.810 8.048 0.762 18812 10489 1 20 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.804 -0.154 18812 10490 1 20 . 1 1 83 83 PRO C C 83 176.900 176.900 176.303 0.597 18812 10491 1 20 . 1 1 83 83 PRO CA C 83 62.400 62.400 62.559 -0.159 18812 10492 1 20 . 1 1 83 83 PRO CB C 83 32.600 32.600 31.471 1.129 18812 10493 1 20 . 1 1 84 84 THR N N 84 115.300 115.300 118.242 -2.942 18812 10494 1 20 . 1 1 84 84 THR HA H 84 4.590 4.590 4.443 0.147 18812 10495 1 20 . 1 1 84 84 THR C C 84 175.000 175.000 175.465 -0.465 18812 10496 1 20 . 1 1 84 84 THR CA C 84 59.800 59.800 59.482 0.318 18812 10497 1 20 . 1 1 84 84 THR CB C 84 71.700 71.700 71.113 0.587 18812 10498 1 20 . 1 1 84 84 THR H H 84 9.550 9.550 8.942 0.608 18812 10499 1 20 . 1 1 85 85 ALA N N 85 124.400 124.400 126.242 -1.842 18812 10500 1 20 . 1 1 85 85 ALA HA H 85 4.060 4.060 4.066 -0.006 18812 10501 1 20 . 1 1 85 85 ALA C C 85 180.900 180.900 179.463 1.437 18812 10502 1 20 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.601 -0.301 18812 10503 1 20 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.521 -0.521 18812 10504 1 20 . 1 1 85 85 ALA H H 85 8.970 8.970 8.826 0.144 18812 10505 1 20 . 1 1 86 86 GLN N N 86 116.500 116.500 117.946 -1.446 18812 10506 1 20 . 1 1 86 86 GLN HA H 86 4.120 4.120 4.007 0.113 18812 10507 1 20 . 1 1 86 86 GLN CA C 86 58.900 58.900 59.319 -0.419 18812 10508 1 20 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.414 -0.314 18812 10509 1 20 . 1 1 86 86 GLN H H 86 8.680 8.680 8.178 0.502 18812 10510 1 20 . 1 1 87 87 ASP N N 87 122.300 122.300 120.645 1.655 18812 10511 1 20 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.394 0.206 18812 10512 1 20 . 1 1 87 87 ASP C C 87 178.200 178.200 178.746 -0.546 18812 10513 1 20 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.526 0.274 18812 10514 1 20 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.408 -0.709 18812 10515 1 20 . 1 1 87 87 ASP H H 87 7.820 7.820 7.547 0.273 18812 10516 1 20 . 1 1 88 88 ILE N N 88 120.900 120.900 120.118 0.782 18812 10517 1 20 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.664 -0.184 18812 10518 1 20 . 1 1 88 88 ILE C C 88 177.800 177.800 177.771 0.029 18812 10519 1 20 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.781 1.019 18812 10520 1 20 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.603 0.697 18812 10521 1 20 . 1 1 88 88 ILE H H 88 8.160 8.160 8.259 -0.099 18812 10522 1 20 . 1 1 89 89 SER N N 89 113.200 113.200 115.685 -2.485 18812 10523 1 20 . 1 1 89 89 SER HA H 89 4.240 4.240 4.031 0.209 18812 10524 1 20 . 1 1 89 89 SER C C 89 177.200 177.200 176.972 0.228 18812 10525 1 20 . 1 1 89 89 SER CA C 89 61.700 61.700 61.874 -0.174 18812 10526 1 20 . 1 1 89 89 SER CB C 89 62.700 62.700 62.819 -0.119 18812 10527 1 20 . 1 1 89 89 SER H H 89 7.970 7.970 8.293 -0.323 18812 10528 1 20 . 1 1 90 90 ARG N N 90 123.100 123.100 121.691 1.409 18812 10529 1 20 . 1 1 90 90 ARG HA H 90 4.110 4.110 4.000 0.110 18812 10530 1 20 . 1 1 90 90 ARG CA C 90 59.900 59.900 59.426 0.474 18812 10531 1 20 . 1 1 90 90 ARG CB C 90 31.700 31.700 30.265 1.435 18812 10532 1 20 . 1 1 90 90 ARG H H 90 8.450 8.450 8.171 0.279 18812 10533 1 20 . 1 1 91 91 VAL N N 91 119.200 119.200 119.704 -0.504 18812 10534 1 20 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.715 -0.285 18812 10535 1 20 . 1 1 91 91 VAL C C 91 177.300 177.300 178.103 -0.803 18812 10536 1 20 . 1 1 91 91 VAL CA C 91 66.800 66.800 66.044 0.756 18812 10537 1 20 . 1 1 91 91 VAL CB C 91 31.700 31.700 31.037 0.663 18812 10538 1 20 . 1 1 91 91 VAL H H 91 8.140 8.140 8.136 0.004 18812 10539 1 20 . 1 1 92 92 ALA N N 92 121.100 121.100 121.481 -0.381 18812 10540 1 20 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.938 0.022 18812 10541 1 20 . 1 1 92 92 ALA C C 92 179.200 179.200 179.926 -0.726 18812 10542 1 20 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.464 0.436 18812 10543 1 20 . 1 1 92 92 ALA CB C 92 18.400 18.400 17.922 0.478 18812 10544 1 20 . 1 1 92 92 ALA H H 92 9.020 9.020 8.572 0.448 18812 10545 1 20 . 1 1 93 93 SER N N 93 112.100 112.100 114.136 -2.036 18812 10546 1 20 . 1 1 93 93 SER HA H 93 4.240 4.240 4.119 0.121 18812 10547 1 20 . 1 1 93 93 SER C C 93 177.300 177.300 176.640 0.660 18812 10548 1 20 . 1 1 93 93 SER CA C 93 62.000 62.000 61.050 0.950 18812 10549 1 20 . 1 1 93 93 SER CB C 93 62.700 62.700 62.866 -0.166 18812 10550 1 20 . 1 1 93 93 SER H H 93 8.730 8.730 8.044 0.686 18812 10551 1 20 . 1 1 94 94 ARG N N 94 122.500 122.500 121.146 1.354 18812 10552 1 20 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.123 0.137 18812 10553 1 20 . 1 1 94 94 ARG C C 94 179.900 179.900 178.997 0.903 18812 10554 1 20 . 1 1 94 94 ARG CA C 94 57.800 57.800 57.899 -0.099 18812 10555 1 20 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.721 -0.521 18812 10556 1 20 . 1 1 94 94 ARG H H 94 7.520 7.520 7.903 -0.383 18812 10557 1 20 . 1 1 95 95 LEU N N 95 121.500 121.500 117.543 3.957 18812 10558 1 20 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.271 -0.031 18812 10559 1 20 . 1 1 95 95 LEU C C 95 179.000 179.000 179.372 -0.372 18812 10560 1 20 . 1 1 95 95 LEU CA C 95 58.100 58.100 58.056 0.044 18812 10561 1 20 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.924 0.876 18812 10562 1 20 . 1 1 95 95 LEU H H 95 8.350 8.350 8.084 0.266 18812 10563 1 20 . 1 1 96 96 ALA N N 96 121.900 121.900 121.960 -0.060 18812 10564 1 20 . 1 1 96 96 ALA HA H 96 4.320 4.320 3.268 1.052 18812 10565 1 20 . 1 1 96 96 ALA C C 96 182.200 182.200 179.288 2.912 18812 10566 1 20 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.607 0.493 18812 10567 1 20 . 1 1 96 96 ALA CB C 96 18.000 18.000 17.739 0.261 18812 10568 1 20 . 1 1 96 96 ALA H H 96 8.740 8.740 8.220 0.520 18812 10569 1 20 . 1 1 97 97 ALA N N 97 121.400 121.400 120.305 1.095 18812 10570 1 20 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.031 0.199 18812 10571 1 20 . 1 1 97 97 ALA C C 97 179.200 179.200 179.010 0.190 18812 10572 1 20 . 1 1 97 97 ALA CA C 97 54.600 54.600 54.031 0.569 18812 10573 1 20 . 1 1 97 97 ALA CB C 97 18.000 18.000 18.515 -0.515 18812 10574 1 20 . 1 1 97 97 ALA H H 97 8.190 8.190 7.882 0.308 18812 10575 1 20 . 1 1 98 98 GLY N N 98 103.500 103.500 104.794 -1.294 18812 10576 1 20 . 1 1 98 98 GLY C C 98 173.700 173.700 175.310 -1.610 18812 10577 1 20 . 1 1 98 98 GLY CA C 98 44.800 44.800 45.710 -0.910 18812 10578 1 20 . 1 1 98 98 GLY H H 98 7.710 7.710 7.902 -0.192 18812 10579 1 20 . 1 1 99 99 GLY N N 99 107.600 107.600 107.159 0.441 18812 10580 1 20 . 1 1 99 99 GLY CA C 99 45.200 45.200 44.564 0.636 18812 10581 1 20 . 1 1 99 99 GLY H H 99 7.710 7.710 8.202 -0.492 18812 10582 1 20 . 1 1 100 100 TRP N N 100 123.600 123.600 120.858 2.742 18812 10583 1 20 . 1 1 100 100 TRP CB C 100 52.300 52.300 26.842 25.458 18812 10584 1 20 . 1 1 100 100 TRP H H 100 7.820 7.820 7.665 0.155 18812 10585 1 20 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.053 -0.123 18812 10586 1 20 . 1 1 101 101 PRO C C 101 175.600 175.600 176.874 -1.274 18812 10587 1 20 . 1 1 101 101 PRO CA C 101 62.600 62.600 64.192 -1.592 18812 10588 1 20 . 1 1 101 101 PRO CB C 101 34.200 34.200 31.714 2.486 18812 10589 1 20 . 1 1 102 102 LEU N N 102 122.800 122.800 121.544 1.256 18812 10590 1 20 . 1 1 102 102 LEU H H 102 8.470 8.470 8.055 0.415 18812 10591 1 20 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.459 0.201 18812 10592 1 20 . 1 1 103 103 ALA C C 103 177.100 177.100 174.957 2.143 18812 10593 1 20 . 1 1 103 103 ALA CA C 103 51.500 51.500 51.697 -0.197 18812 10594 1 20 . 1 1 103 103 ALA CB C 103 21.700 21.700 20.187 1.513 18812 10595 1 20 . 1 1 104 104 GLY N N 104 108.500 108.500 106.778 1.722 18812 10596 1 20 . 1 1 104 104 GLY C C 104 173.900 173.900 172.661 1.239 18812 10597 1 20 . 1 1 104 104 GLY CA C 104 45.900 45.900 45.826 0.074 18812 10598 1 20 . 1 1 104 104 GLY H H 104 8.700 8.700 8.326 0.374 18812 10599 1 20 . 1 1 105 105 VAL N N 105 116.700 116.700 121.007 -4.307 18812 10600 1 20 . 1 1 105 105 VAL HA H 105 4.220 4.220 4.339 -0.119 18812 10601 1 20 . 1 1 105 105 VAL C C 105 174.700 174.700 173.890 0.810 18812 10602 1 20 . 1 1 105 105 VAL CA C 105 61.000 61.000 62.560 -1.560 18812 10603 1 20 . 1 1 105 105 VAL CB C 105 33.100 33.100 33.490 -0.390 18812 10604 1 20 . 1 1 105 105 VAL H H 105 7.660 7.660 7.722 -0.062 18812 10605 1 20 . 1 1 106 106 ASP N N 106 125.100 125.100 128.478 -3.378 18812 10606 1 20 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.962 -0.292 18812 10607 1 20 . 1 1 106 106 ASP C C 106 176.500 176.500 176.487 0.013 18812 10608 1 20 . 1 1 106 106 ASP CA C 106 54.000 54.000 54.083 -0.083 18812 10609 1 20 . 1 1 106 106 ASP CB C 106 41.300 41.300 42.311 -1.011 18812 10610 1 20 . 1 1 106 106 ASP H H 106 8.600 8.600 8.673 -0.073 18812 10611 1 20 . 1 1 107 107 SER N N 107 117.400 117.400 118.721 -1.321 18812 10612 1 20 . 1 1 107 107 SER HA H 107 4.320 4.320 4.177 0.143 18812 10613 1 20 . 1 1 107 107 SER C C 107 175.400 175.400 175.864 -0.464 18812 10614 1 20 . 1 1 107 107 SER CA C 107 59.500 59.500 61.008 -1.508 18812 10615 1 20 . 1 1 107 107 SER CB C 107 63.200 63.200 63.360 -0.160 18812 10616 1 20 . 1 1 107 107 SER H H 107 8.560 8.560 8.798 -0.238 18812 10617 1 20 . 1 1 108 108 THR N N 108 115.100 115.100 115.363 -0.263 18812 10618 1 20 . 1 1 108 108 THR HA H 108 4.260 4.260 4.098 0.162 18812 10619 1 20 . 1 1 108 108 THR C C 108 174.800 174.800 174.977 -0.177 18812 10620 1 20 . 1 1 108 108 THR CA C 108 63.000 63.000 64.096 -1.096 18812 10621 1 20 . 1 1 108 108 THR CB C 108 69.300 69.300 67.951 1.349 18812 10622 1 20 . 1 1 108 108 THR H H 108 8.230 8.230 8.369 -0.139 18812 10623 1 20 . 1 1 109 109 ALA N N 109 125.000 125.000 123.163 1.837 18812 10624 1 20 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.370 -0.010 18812 10625 1 20 . 1 1 109 109 ALA C C 109 177.500 177.500 176.516 0.984 18812 10626 1 20 . 1 1 109 109 ALA CA C 109 52.500 52.500 52.133 0.367 18812 10627 1 20 . 1 1 109 109 ALA CB C 109 19.100 19.100 19.550 -0.450 18812 10628 1 20 . 1 1 109 109 ALA H H 109 8.020 8.020 7.624 0.396 18812 10629 1 20 . 1 1 110 110 LEU N N 110 119.400 119.400 117.401 1.999 18812 10630 1 20 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.703 -0.353 18812 10631 1 20 . 1 1 110 110 LEU C C 110 176.800 176.800 175.632 1.168 18812 10632 1 20 . 1 1 110 110 LEU CA C 110 55.000 55.000 53.831 1.169 18812 10633 1 20 . 1 1 110 110 LEU CB C 110 42.000 42.000 44.276 -2.276 18812 10634 1 20 . 1 1 110 110 LEU H H 110 7.880 7.880 7.531 0.349 18812 10635 1 20 . 1 1 111 111 ASN N N 111 118.700 118.700 116.242 2.458 18812 10636 1 20 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.630 0.100 18812 10637 1 20 . 1 1 111 111 ASN C C 111 173.600 173.600 173.698 -0.098 18812 10638 1 20 . 1 1 111 111 ASN CA C 111 52.900 52.900 53.362 -0.462 18812 10639 1 20 . 1 1 111 111 ASN CB C 111 39.000 39.000 38.523 0.477 18812 10640 1 20 . 1 1 111 111 ASN H H 111 8.230 8.230 8.443 -0.213 18812 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 90 2.794 0.425 2.777 18812 2 1 1 "Average Difference" HA 98 0.254 -0.004 0.255 18812 3 1 1 "Average Difference" C 83 1.008 -0.230 0.988 18812 4 1 1 "Average Difference" CA 96 1.246 -0.177 1.240 18812 5 1 1 "Average Difference" CB 90 2.975 -0.426 2.961 18812 6 1 1 "Average Difference" HN 91 0.468 -0.156 0.444 18812 7 1 2 "Average Difference" N 90 2.542 0.686 2.462 18812 8 1 2 "Average Difference" HA 98 0.273 -0.013 0.275 18812 9 1 2 "Average Difference" C 83 0.998 -0.149 0.993 18812 10 1 2 "Average Difference" CA 96 1.294 -0.193 1.286 18812 11 1 2 "Average Difference" CB 90 2.973 -0.578 2.932 18812 12 1 2 "Average Difference" HN 91 0.495 -0.151 0.474 18812 13 1 3 "Average Difference" N 90 2.721 0.806 2.613 18812 14 1 3 "Average Difference" HA 98 0.253 -0.018 0.254 18812 15 1 3 "Average Difference" C 83 1.015 -0.174 1.006 18812 16 1 3 "Average Difference" CA 96 1.345 -0.130 1.346 18812 17 1 3 "Average Difference" CB 90 2.982 -0.503 2.956 18812 18 1 3 "Average Difference" HN 91 0.481 -0.162 0.456 18812 19 1 4 "Average Difference" N 90 2.373 0.534 2.325 18812 20 1 4 "Average Difference" HA 98 0.297 0.018 0.298 18812 21 1 4 "Average Difference" C 83 1.091 -0.270 1.063 18812 22 1 4 "Average Difference" CA 96 1.313 -0.179 1.308 18812 23 1 4 "Average Difference" CB 90 2.879 -0.454 2.859 18812 24 1 4 "Average Difference" HN 91 0.426 -0.093 0.418 18812 25 1 5 "Average Difference" N 90 2.652 0.526 2.614 18812 26 1 5 "Average Difference" HA 98 0.290 -0.007 0.292 18812 27 1 5 "Average Difference" C 83 1.045 -0.223 1.027 18812 28 1 5 "Average Difference" CA 96 1.270 -0.098 1.273 18812 29 1 5 "Average Difference" CB 90 2.876 -0.356 2.870 18812 30 1 5 "Average Difference" HN 91 0.458 -0.131 0.442 18812 31 1 6 "Average Difference" N 90 2.503 0.545 2.457 18812 32 1 6 "Average Difference" HA 98 0.231 -0.033 0.230 18812 33 1 6 "Average Difference" C 83 1.054 -0.178 1.045 18812 34 1 6 "Average Difference" CA 96 1.222 -0.121 1.223 18812 35 1 6 "Average Difference" CB 90 2.922 -0.631 2.869 18812 36 1 6 "Average Difference" HN 91 0.478 -0.163 0.452 18812 37 1 7 "Average Difference" N 90 2.487 0.726 2.392 18812 38 1 7 "Average Difference" HA 98 0.262 -0.033 0.261 18812 39 1 7 "Average Difference" C 83 0.996 -0.143 0.991 18812 40 1 7 "Average Difference" CA 96 1.350 -0.048 1.357 18812 41 1 7 "Average Difference" CB 90 2.869 -0.515 2.839 18812 42 1 7 "Average Difference" HN 91 0.490 -0.159 0.466 18812 43 1 8 "Average Difference" N 90 2.779 0.373 2.770 18812 44 1 8 "Average Difference" HA 98 0.257 -0.005 0.259 18812 45 1 8 "Average Difference" C 83 1.038 -0.292 1.002 18812 46 1 8 "Average Difference" CA 96 1.266 -0.043 1.272 18812 47 1 8 "Average Difference" CB 90 2.934 -0.478 2.911 18812 48 1 8 "Average Difference" HN 91 0.462 -0.140 0.443 18812 49 1 9 "Average Difference" N 90 2.570 0.476 2.540 18812 50 1 9 "Average Difference" HA 98 0.244 -0.003 0.245 18812 51 1 9 "Average Difference" C 83 1.059 -0.203 1.045 18812 52 1 9 "Average Difference" CA 96 1.310 -0.132 1.310 18812 53 1 9 "Average Difference" CB 90 2.960 -0.445 2.943 18812 54 1 9 "Average Difference" HN 91 0.447 -0.126 0.432 18812 55 1 10 "Average Difference" N 90 2.987 0.733 2.912 18812 56 1 10 "Average Difference" HA 98 0.247 -0.034 0.246 18812 57 1 10 "Average Difference" C 83 1.076 -0.146 1.073 18812 58 1 10 "Average Difference" CA 96 1.338 -0.083 1.343 18812 59 1 10 "Average Difference" CB 90 3.001 -0.511 2.974 18812 60 1 10 "Average Difference" HN 91 0.472 -0.134 0.455 18812 61 1 11 "Average Difference" N 90 2.662 0.615 2.604 18812 62 1 11 "Average Difference" HA 98 0.273 0.000 0.274 18812 63 1 11 "Average Difference" C 83 1.092 -0.268 1.065 18812 64 1 11 "Average Difference" CA 96 1.260 -0.127 1.260 18812 65 1 11 "Average Difference" CB 90 2.818 -0.581 2.773 18812 66 1 11 "Average Difference" HN 91 0.472 -0.144 0.452 18812 67 1 12 "Average Difference" N 90 2.514 0.519 2.474 18812 68 1 12 "Average Difference" HA 98 0.262 -0.002 0.263 18812 69 1 12 "Average Difference" C 83 1.034 -0.187 1.023 18812 70 1 12 "Average Difference" CA 96 1.278 -0.053 1.283 18812 71 1 12 "Average Difference" CB 90 2.811 -0.445 2.791 18812 72 1 12 "Average Difference" HN 91 0.518 -0.144 0.500 18812 73 1 13 "Average Difference" N 90 2.482 0.502 2.444 18812 74 1 13 "Average Difference" HA 98 0.253 -0.020 0.254 18812 75 1 13 "Average Difference" C 83 1.038 -0.189 1.027 18812 76 1 13 "Average Difference" CA 96 1.314 -0.151 1.313 18812 77 1 13 "Average Difference" CB 90 2.825 -0.645 2.766 18812 78 1 13 "Average Difference" HN 91 0.493 -0.175 0.463 18812 79 1 14 "Average Difference" N 90 2.882 0.542 2.846 18812 80 1 14 "Average Difference" HA 98 0.289 -0.042 0.287 18812 81 1 14 "Average Difference" C 83 1.032 -0.254 1.007 18812 82 1 14 "Average Difference" CA 96 1.374 -0.100 1.378 18812 83 1 14 "Average Difference" CB 90 2.868 -0.502 2.840 18812 84 1 14 "Average Difference" HN 91 0.476 -0.121 0.463 18812 85 1 15 "Average Difference" N 90 2.417 0.914 2.250 18812 86 1 15 "Average Difference" HA 98 0.267 -0.017 0.267 18812 87 1 15 "Average Difference" C 83 1.064 -0.342 1.013 18812 88 1 15 "Average Difference" CA 96 1.315 -0.197 1.307 18812 89 1 15 "Average Difference" CB 90 3.011 -0.475 2.990 18812 90 1 15 "Average Difference" HN 91 0.429 -0.109 0.417 18812 91 1 16 "Average Difference" N 90 2.905 0.811 2.805 18812 92 1 16 "Average Difference" HA 98 0.264 -0.023 0.265 18812 93 1 16 "Average Difference" C 83 1.083 -0.226 1.065 18812 94 1 16 "Average Difference" CA 96 1.305 -0.050 1.311 18812 95 1 16 "Average Difference" CB 90 2.966 -0.531 2.935 18812 96 1 16 "Average Difference" HN 91 0.483 -0.167 0.456 18812 97 1 17 "Average Difference" N 90 2.601 0.439 2.578 18812 98 1 17 "Average Difference" HA 98 0.280 -0.028 0.280 18812 99 1 17 "Average Difference" C 83 1.000 -0.209 0.984 18812 100 1 17 "Average Difference" CA 96 1.321 -0.036 1.328 18812 101 1 17 "Average Difference" CB 90 2.869 -0.515 2.839 18812 102 1 17 "Average Difference" HN 91 0.464 -0.140 0.445 18812 103 1 18 "Average Difference" N 90 2.806 0.438 2.787 18812 104 1 18 "Average Difference" HA 98 0.265 -0.014 0.266 18812 105 1 18 "Average Difference" C 83 0.954 -0.233 0.931 18812 106 1 18 "Average Difference" CA 96 1.329 -0.152 1.327 18812 107 1 18 "Average Difference" CB 90 2.953 -0.441 2.937 18812 108 1 18 "Average Difference" HN 91 0.466 -0.111 0.455 18812 109 1 19 "Average Difference" N 90 2.890 0.670 2.827 18812 110 1 19 "Average Difference" HA 98 0.253 -0.025 0.253 18812 111 1 19 "Average Difference" C 83 1.005 -0.244 0.981 18812 112 1 19 "Average Difference" CA 96 1.271 -0.121 1.272 18812 113 1 19 "Average Difference" CB 90 2.933 -0.525 2.902 18812 114 1 19 "Average Difference" HN 91 0.435 -0.094 0.427 18812 115 1 20 "Average Difference" N 90 2.519 0.692 2.436 18812 116 1 20 "Average Difference" HA 98 0.285 -0.019 0.286 18812 117 1 20 "Average Difference" C 83 1.133 -0.357 1.082 18812 118 1 20 "Average Difference" CA 96 1.309 -0.091 1.313 18812 119 1 20 "Average Difference" CB 90 3.078 -0.516 3.051 18812 120 1 20 "Average Difference" HN 91 0.412 -0.073 0.407 18812 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 18812 _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 10 10 GLY C C 10 174.100 174.100 173.746 0.354 18812 2 1 . 1 1 10 10 GLY CA C 10 45.300 45.300 44.853 0.447 18812 3 1 . 1 1 10 10 GLY H H 10 8.500 8.500 8.404 0.096 18812 4 1 . 1 1 11 11 THR N N 11 113.700 113.700 115.264 -1.564 18812 5 1 . 1 1 11 11 THR HA H 11 4.350 4.350 4.441 -0.091 18812 6 1 . 1 1 11 11 THR C C 11 174.700 174.700 174.240 0.460 18812 7 1 . 1 1 11 11 THR CA C 11 62.000 62.000 61.964 0.036 18812 8 1 . 1 1 11 11 THR CB C 11 69.800 69.800 69.570 0.230 18812 9 1 . 1 1 11 11 THR H H 11 8.100 8.100 8.045 0.055 18812 10 1 . 1 1 12 12 LEU N N 12 124.100 124.100 124.460 -0.360 18812 11 1 . 1 1 12 12 LEU C C 12 177.600 177.600 176.341 1.259 18812 12 1 . 1 1 12 12 LEU CA C 12 55.400 55.400 54.719 0.681 18812 13 1 . 1 1 12 12 LEU CB C 12 42.000 42.000 42.563 -0.563 18812 14 1 . 1 1 12 12 LEU H H 12 8.380 8.380 8.250 0.130 18812 15 1 . 1 1 13 13 GLU N N 13 121.500 121.500 123.331 -1.831 18812 16 1 . 1 1 13 13 GLU HA H 13 4.220 4.220 4.433 -0.213 18812 17 1 . 1 1 13 13 GLU C C 13 176.300 176.300 175.653 0.647 18812 18 1 . 1 1 13 13 GLU CA C 13 56.900 56.900 56.105 0.795 18812 19 1 . 1 1 13 13 GLU CB C 13 29.600 29.600 30.268 -0.667 18812 20 1 . 1 1 13 13 GLU H H 13 8.440 8.440 8.517 -0.077 18812 21 1 . 1 1 14 14 ALA N N 14 124.300 124.300 126.433 -2.133 18812 22 1 . 1 1 14 14 ALA CA C 14 52.600 52.600 52.087 0.513 18812 23 1 . 1 1 14 14 ALA CB C 14 19.000 19.000 19.388 -0.388 18812 24 1 . 1 1 14 14 ALA H H 14 8.280 8.280 8.301 -0.021 18812 25 1 . 1 1 15 15 GLN N N 15 118.700 118.700 121.720 -3.020 18812 26 1 . 1 1 15 15 GLN HA H 15 4.400 4.400 4.368 0.032 18812 27 1 . 1 1 15 15 GLN C C 15 176.300 176.300 175.597 0.703 18812 28 1 . 1 1 15 15 GLN CA C 15 55.800 55.800 55.958 -0.158 18812 29 1 . 1 1 15 15 GLN CB C 15 29.300 29.300 29.259 0.041 18812 30 1 . 1 1 15 15 GLN H H 15 8.360 8.360 8.475 -0.115 18812 31 1 . 1 1 16 16 THR N N 16 114.800 114.800 116.277 -1.477 18812 32 1 . 1 1 16 16 THR C C 16 174.400 174.400 174.138 0.262 18812 33 1 . 1 1 16 16 THR CA C 16 62.000 62.000 62.131 -0.131 18812 34 1 . 1 1 16 16 THR CB C 16 69.700 69.700 69.129 0.571 18812 35 1 . 1 1 16 16 THR H H 16 8.200 8.200 8.242 -0.042 18812 36 1 . 1 1 17 17 GLN N N 17 122.200 122.200 124.159 -1.959 18812 37 1 . 1 1 17 17 GLN C C 17 175.900 175.900 175.640 0.260 18812 38 1 . 1 1 17 17 GLN CA C 17 55.500 55.500 55.539 -0.039 18812 39 1 . 1 1 17 17 GLN CB C 17 29.600 29.600 29.375 0.225 18812 40 1 . 1 1 17 17 GLN H H 17 8.430 8.430 8.346 0.084 18812 41 1 . 1 1 18 18 GLY N N 18 110.100 110.100 110.565 -0.465 18812 42 1 . 1 1 18 18 GLY CA C 18 44.500 44.500 44.492 0.008 18812 43 1 . 1 1 18 18 GLY H H 18 8.360 8.360 8.150 0.210 18812 44 1 . 1 1 19 19 PRO HA H 19 4.460 4.460 4.422 0.038 18812 45 1 . 1 1 19 19 PRO C C 19 177.700 177.700 177.006 0.694 18812 46 1 . 1 1 19 19 PRO CA C 19 63.600 63.600 63.139 0.461 18812 47 1 . 1 1 19 19 PRO CB C 19 31.900 31.900 31.399 0.501 18812 48 1 . 1 1 20 20 GLY N N 20 109.600 109.600 110.394 -0.794 18812 49 1 . 1 1 20 20 GLY C C 20 174.100 174.100 173.895 0.205 18812 50 1 . 1 1 20 20 GLY CA C 20 45.200 45.200 45.278 -0.078 18812 51 1 . 1 1 20 20 GLY H H 20 8.630 8.630 8.213 0.417 18812 52 1 . 1 1 21 21 SER N N 21 115.300 115.300 116.531 -1.231 18812 53 1 . 1 1 21 21 SER HA H 21 4.460 4.460 4.594 -0.134 18812 54 1 . 1 1 21 21 SER C C 21 174.100 174.100 172.855 1.245 18812 55 1 . 1 1 21 21 SER CA C 21 58.300 58.300 57.735 0.565 18812 56 1 . 1 1 21 21 SER CB C 21 63.900 63.900 63.322 0.578 18812 57 1 . 1 1 21 21 SER H H 21 8.150 8.150 8.215 -0.065 18812 58 1 . 1 1 22 22 PRO HA H 22 4.440 4.440 4.526 -0.086 18812 59 1 . 1 1 22 22 PRO C C 22 176.800 176.800 175.789 1.011 18812 60 1 . 1 1 22 22 PRO CA C 22 63.100 63.100 62.832 0.268 18812 61 1 . 1 1 22 22 PRO CB C 22 32.100 32.100 31.066 1.034 18812 62 1 . 1 1 23 23 GLU N N 23 120.900 120.900 122.288 -1.388 18812 63 1 . 1 1 23 23 GLU HA H 23 4.280 4.280 4.358 -0.078 18812 64 1 . 1 1 23 23 GLU C C 23 177.000 177.000 177.190 -0.190 18812 65 1 . 1 1 23 23 GLU CA C 23 56.600 56.600 56.214 0.386 18812 66 1 . 1 1 23 23 GLU CB C 23 30.400 30.400 30.487 -0.087 18812 67 1 . 1 1 23 23 GLU H H 23 8.630 8.630 8.100 0.530 18812 68 1 . 1 1 24 24 GLY N N 24 109.800 109.800 111.504 -1.704 18812 69 1 . 1 1 24 24 GLY C C 24 173.600 173.600 174.050 -0.450 18812 70 1 . 1 1 24 24 GLY CA C 24 45.100 45.100 45.471 -0.371 18812 71 1 . 1 1 24 24 GLY H H 24 8.450 8.450 8.770 -0.320 18812 72 1 . 1 1 25 25 VAL N N 25 120.600 120.600 118.224 2.376 18812 73 1 . 1 1 25 25 VAL HA H 25 4.460 4.460 4.545 -0.085 18812 74 1 . 1 1 25 25 VAL CA C 25 59.700 59.700 58.848 0.852 18812 75 1 . 1 1 25 25 VAL CB C 25 32.600 32.600 32.916 -0.316 18812 76 1 . 1 1 25 25 VAL H H 25 7.990 7.990 7.470 0.520 18812 77 1 . 1 1 27 27 PRO HA H 27 4.520 4.520 4.439 0.081 18812 78 1 . 1 1 27 27 PRO C C 27 177.200 177.200 176.354 0.846 18812 79 1 . 1 1 27 27 PRO CA C 27 63.100 63.100 63.205 -0.105 18812 80 1 . 1 1 27 27 PRO CB C 27 32.000 32.000 31.383 0.617 18812 81 1 . 1 1 28 28 THR N N 28 113.000 113.000 116.482 -3.482 18812 82 1 . 1 1 28 28 THR HA H 28 4.270 4.270 4.265 0.004 18812 83 1 . 1 1 28 28 THR C C 28 174.400 174.400 174.707 -0.307 18812 84 1 . 1 1 28 28 THR CA C 28 62.000 62.000 62.207 -0.206 18812 85 1 . 1 1 28 28 THR CB C 28 69.700 69.700 69.756 -0.056 18812 86 1 . 1 1 28 28 THR H H 28 8.160 8.160 8.052 0.108 18812 87 1 . 1 1 29 29 ASP N N 29 122.100 122.100 122.013 0.087 18812 88 1 . 1 1 29 29 ASP HA H 29 4.580 4.580 4.432 0.148 18812 89 1 . 1 1 29 29 ASP CA C 29 54.300 54.300 55.381 -1.081 18812 90 1 . 1 1 29 29 ASP CB C 29 40.900 40.900 41.078 -0.178 18812 91 1 . 1 1 29 29 ASP H H 29 8.290 8.290 8.475 -0.185 18812 92 1 . 1 1 30 30 ARG N N 30 120.300 120.300 119.068 1.232 18812 93 1 . 1 1 30 30 ARG HA H 30 4.190 4.190 4.282 -0.092 18812 94 1 . 1 1 30 30 ARG C C 30 175.600 175.600 175.419 0.181 18812 95 1 . 1 1 30 30 ARG CA C 30 56.200 56.200 55.635 0.565 18812 96 1 . 1 1 30 30 ARG CB C 30 30.800 30.800 30.508 0.292 18812 97 1 . 1 1 30 30 ARG H H 30 8.070 8.070 7.767 0.303 18812 98 1 . 1 1 31 31 PHE N N 31 120.500 120.500 121.096 -0.596 18812 99 1 . 1 1 31 31 PHE CB C 31 38.800 38.800 38.931 -0.131 18812 100 1 . 1 1 31 31 PHE H H 31 8.240 8.240 8.201 0.039 18812 101 1 . 1 1 32 32 PRO HA H 32 4.440 4.440 4.384 0.056 18812 102 1 . 1 1 32 32 PRO C C 32 177.200 177.200 175.906 1.294 18812 103 1 . 1 1 32 32 PRO CA C 32 63.400 63.400 63.716 -0.316 18812 104 1 . 1 1 32 32 PRO CB C 32 31.700 31.700 31.824 -0.124 18812 105 1 . 1 1 33 33 LEU N N 33 121.000 121.000 119.940 1.060 18812 106 1 . 1 1 33 33 LEU HA H 33 4.330 4.330 4.536 -0.206 18812 107 1 . 1 1 33 33 LEU CA C 33 55.600 55.600 53.994 1.606 18812 108 1 . 1 1 33 33 LEU CB C 33 42.100 42.100 42.737 -0.637 18812 109 1 . 1 1 33 33 LEU H H 33 8.290 8.290 7.644 0.646 18812 110 1 . 1 1 34 34 LEU N N 34 122.100 122.100 121.727 0.373 18812 111 1 . 1 1 34 34 LEU HA H 34 4.310 4.310 4.504 -0.194 18812 112 1 . 1 1 34 34 LEU C C 34 177.300 177.300 176.993 0.307 18812 113 1 . 1 1 34 34 LEU CA C 34 55.200 55.200 54.735 0.465 18812 114 1 . 1 1 34 34 LEU CB C 34 41.900 41.900 41.050 0.850 18812 115 1 . 1 1 34 34 LEU H H 34 8.110 8.110 8.556 -0.446 18812 116 1 . 1 1 35 35 ALA N N 35 123.400 123.400 124.012 -0.612 18812 117 1 . 1 1 35 35 ALA HA H 35 4.280 4.280 4.393 -0.113 18812 118 1 . 1 1 35 35 ALA C C 35 177.600 177.600 177.109 0.491 18812 119 1 . 1 1 35 35 ALA CA C 35 52.700 52.700 52.114 0.586 18812 120 1 . 1 1 35 35 ALA CB C 35 18.800 18.800 18.328 0.472 18812 121 1 . 1 1 35 35 ALA H H 35 8.140 8.140 8.083 0.057 18812 122 1 . 1 1 36 36 LEU N N 36 120.000 120.000 120.878 -0.878 18812 123 1 . 1 1 36 36 LEU HA H 36 4.260 4.260 4.424 -0.164 18812 124 1 . 1 1 36 36 LEU CA C 36 55.500 55.500 54.985 0.515 18812 125 1 . 1 1 36 36 LEU CB C 36 42.000 42.000 42.223 -0.223 18812 126 1 . 1 1 36 36 LEU H H 36 7.990 7.990 7.933 0.057 18812 127 1 . 1 1 37 37 LEU N N 37 122.700 122.700 121.392 1.308 18812 128 1 . 1 1 37 37 LEU HA H 37 4.380 4.380 4.385 -0.005 18812 129 1 . 1 1 37 37 LEU C C 37 177.100 177.100 176.274 0.826 18812 130 1 . 1 1 37 37 LEU CA C 37 55.000 55.000 55.061 -0.061 18812 131 1 . 1 1 37 37 LEU CB C 37 42.100 42.100 41.360 0.740 18812 132 1 . 1 1 37 37 LEU H H 37 8.190 8.190 8.066 0.124 18812 133 1 . 1 1 38 38 ARG N N 38 121.600 121.600 123.166 -1.566 18812 134 1 . 1 1 38 38 ARG HA H 38 4.470 4.470 4.634 -0.164 18812 135 1 . 1 1 38 38 ARG C C 38 176.200 176.200 175.697 0.503 18812 136 1 . 1 1 38 38 ARG CA C 38 55.100 55.100 54.476 0.624 18812 137 1 . 1 1 38 38 ARG CB C 38 31.200 31.200 31.542 -0.342 18812 138 1 . 1 1 38 38 ARG H H 38 8.040 8.040 8.133 -0.093 18812 139 1 . 1 1 39 39 ARG N N 39 123.600 123.600 120.360 3.240 18812 140 1 . 1 1 39 39 ARG HA H 39 4.370 4.370 4.333 0.037 18812 141 1 . 1 1 39 39 ARG C C 39 175.500 175.500 175.974 -0.474 18812 142 1 . 1 1 39 39 ARG CA C 39 56.700 56.700 57.317 -0.617 18812 143 1 . 1 1 39 39 ARG CB C 39 31.200 31.200 30.076 1.124 18812 144 1 . 1 1 39 39 ARG H H 39 8.840 8.840 8.526 0.315 18812 145 1 . 1 1 40 40 THR N N 40 113.900 113.900 113.299 0.601 18812 146 1 . 1 1 40 40 THR HA H 40 4.770 4.770 4.367 0.403 18812 147 1 . 1 1 40 40 THR C C 40 175.300 175.300 173.759 1.541 18812 148 1 . 1 1 40 40 THR CA C 40 59.500 59.500 61.492 -1.992 18812 149 1 . 1 1 40 40 THR CB C 40 71.700 71.700 69.679 2.021 18812 150 1 . 1 1 40 40 THR H H 40 8.150 8.150 7.851 0.299 18812 151 1 . 1 1 41 41 LEU N N 41 123.100 123.100 127.598 -4.498 18812 152 1 . 1 1 41 41 LEU HA H 41 4.470 4.470 4.536 -0.066 18812 153 1 . 1 1 41 41 LEU C C 41 179.700 179.700 176.734 2.966 18812 154 1 . 1 1 41 41 LEU CA C 41 54.900 54.900 54.360 0.540 18812 155 1 . 1 1 41 41 LEU CB C 41 43.000 43.000 41.307 1.693 18812 156 1 . 1 1 41 41 LEU H H 41 9.480 9.480 8.711 0.769 18812 157 1 . 1 1 42 42 THR N N 42 115.100 115.100 118.879 -3.779 18812 158 1 . 1 1 42 42 THR HA H 42 4.580 4.580 4.259 0.321 18812 159 1 . 1 1 42 42 THR C C 42 175.400 175.400 175.617 -0.217 18812 160 1 . 1 1 42 42 THR CA C 42 60.900 60.900 61.368 -0.468 18812 161 1 . 1 1 42 42 THR CB C 42 70.600 70.600 70.804 -0.204 18812 162 1 . 1 1 42 42 THR H H 42 8.790 8.790 8.114 0.676 18812 163 1 . 1 1 43 43 GLU N N 43 121.400 121.400 122.898 -1.498 18812 164 1 . 1 1 43 43 GLU HA H 43 4.020 4.020 3.986 0.034 18812 165 1 . 1 1 43 43 GLU C C 43 179.100 179.100 178.447 0.653 18812 166 1 . 1 1 43 43 GLU CA C 43 59.700 59.700 60.274 -0.574 18812 167 1 . 1 1 43 43 GLU CB C 43 28.900 28.900 29.496 -0.596 18812 168 1 . 1 1 43 43 GLU H H 43 9.020 9.020 8.965 0.055 18812 169 1 . 1 1 44 44 GLU N N 44 118.300 118.300 118.375 -0.075 18812 170 1 . 1 1 44 44 GLU HA H 44 4.020 4.020 4.010 0.010 18812 171 1 . 1 1 44 44 GLU C C 44 179.700 179.700 179.126 0.574 18812 172 1 . 1 1 44 44 GLU CA C 44 60.200 60.200 59.522 0.678 18812 173 1 . 1 1 44 44 GLU CB C 44 29.000 29.000 29.127 -0.127 18812 174 1 . 1 1 44 44 GLU H H 44 8.810 8.810 8.367 0.443 18812 175 1 . 1 1 45 45 GLN N N 45 119.300 119.300 118.390 0.910 18812 176 1 . 1 1 45 45 GLN HA H 45 4.220 4.220 4.179 0.041 18812 177 1 . 1 1 45 45 GLN C C 45 178.500 178.500 178.734 -0.234 18812 178 1 . 1 1 45 45 GLN CA C 45 58.300 58.300 58.440 -0.140 18812 179 1 . 1 1 45 45 GLN CB C 45 29.200 29.200 28.500 0.700 18812 180 1 . 1 1 45 45 GLN H H 45 7.800 7.800 7.726 0.074 18812 181 1 . 1 1 46 46 VAL N N 46 121.000 121.000 121.205 -0.205 18812 182 1 . 1 1 46 46 VAL HA H 46 3.400 3.400 3.623 -0.223 18812 183 1 . 1 1 46 46 VAL C C 46 177.500 177.500 178.218 -0.718 18812 184 1 . 1 1 46 46 VAL CA C 46 67.600 67.600 66.847 0.753 18812 185 1 . 1 1 46 46 VAL CB C 46 31.300 31.300 31.244 0.056 18812 186 1 . 1 1 46 46 VAL H H 46 8.420 8.420 8.334 0.086 18812 187 1 . 1 1 47 47 GLN N N 47 115.900 115.900 117.788 -1.888 18812 188 1 . 1 1 47 47 GLN HA H 47 3.890 3.890 3.972 -0.082 18812 189 1 . 1 1 47 47 GLN C C 47 178.500 178.500 178.426 0.074 18812 190 1 . 1 1 47 47 GLN CA C 47 58.800 58.800 58.773 0.026 18812 191 1 . 1 1 47 47 GLN CB C 47 27.700 27.700 28.115 -0.415 18812 192 1 . 1 1 47 47 GLN H H 47 7.470 7.470 8.472 -1.002 18812 193 1 . 1 1 48 48 GLU N N 48 121.400 121.400 121.223 0.177 18812 194 1 . 1 1 48 48 GLU HA H 48 4.120 4.120 4.062 0.058 18812 195 1 . 1 1 48 48 GLU C C 48 178.500 178.500 178.872 -0.372 18812 196 1 . 1 1 48 48 GLU CA C 48 59.300 59.300 59.642 -0.342 18812 197 1 . 1 1 48 48 GLU CB C 48 29.800 29.800 29.419 0.381 18812 198 1 . 1 1 48 48 GLU H H 48 7.940 7.940 8.095 -0.155 18812 199 1 . 1 1 49 49 VAL N N 49 120.300 120.300 120.163 0.137 18812 200 1 . 1 1 49 49 VAL HA H 49 3.590 3.590 3.743 -0.153 18812 201 1 . 1 1 49 49 VAL CA C 49 67.200 67.200 66.777 0.422 18812 202 1 . 1 1 49 49 VAL CB C 49 31.500 31.500 31.600 -0.100 18812 203 1 . 1 1 49 49 VAL H H 49 8.580 8.580 8.214 0.366 18812 204 1 . 1 1 50 50 VAL N N 50 118.700 118.700 118.191 0.509 18812 205 1 . 1 1 50 50 VAL HA H 50 3.220 3.220 3.654 -0.434 18812 206 1 . 1 1 50 50 VAL C C 50 178.600 178.600 177.671 0.929 18812 207 1 . 1 1 50 50 VAL CA C 50 67.500 67.500 66.220 1.280 18812 208 1 . 1 1 50 50 VAL CB C 50 31.400 31.400 30.759 0.641 18812 209 1 . 1 1 50 50 VAL H H 50 8.350 8.350 8.178 0.172 18812 210 1 . 1 1 51 51 ALA N N 51 123.200 123.200 123.035 0.165 18812 211 1 . 1 1 51 51 ALA HA H 51 3.830 3.830 4.091 -0.261 18812 212 1 . 1 1 51 51 ALA C C 51 180.100 180.100 179.228 0.872 18812 213 1 . 1 1 51 51 ALA CA C 51 55.300 55.300 55.003 0.297 18812 214 1 . 1 1 51 51 ALA CB C 51 17.700 17.700 18.525 -0.825 18812 215 1 . 1 1 51 51 ALA H H 51 8.320 8.320 8.079 0.241 18812 216 1 . 1 1 52 52 LYS N N 52 117.200 117.200 118.134 -0.934 18812 217 1 . 1 1 52 52 LYS HA H 52 4.120 4.120 4.274 -0.154 18812 218 1 . 1 1 52 52 LYS C C 52 180.200 180.200 179.079 1.121 18812 219 1 . 1 1 52 52 LYS CA C 52 59.200 59.200 58.315 0.885 18812 220 1 . 1 1 52 52 LYS CB C 52 32.700 32.700 32.697 0.003 18812 221 1 . 1 1 52 52 LYS H H 52 8.170 8.170 7.910 0.260 18812 222 1 . 1 1 53 53 LEU N N 53 118.600 118.600 119.921 -1.321 18812 223 1 . 1 1 53 53 LEU HA H 53 3.390 3.390 3.679 -0.289 18812 224 1 . 1 1 53 53 LEU C C 53 176.300 176.300 177.959 -1.659 18812 225 1 . 1 1 53 53 LEU CA C 53 56.300 56.300 57.024 -0.724 18812 226 1 . 1 1 53 53 LEU CB C 53 44.300 44.300 41.339 2.961 18812 227 1 . 1 1 53 53 LEU H H 53 8.170 8.170 8.317 -0.147 18812 228 1 . 1 1 54 54 THR N N 54 103.000 103.000 109.647 -6.647 18812 229 1 . 1 1 54 54 THR HA H 54 3.490 3.490 4.241 -0.751 18812 230 1 . 1 1 54 54 THR C C 54 173.600 173.600 174.653 -1.053 18812 231 1 . 1 1 54 54 THR CA C 54 60.800 60.800 62.751 -1.951 18812 232 1 . 1 1 54 54 THR CB C 54 69.700 69.700 68.742 0.958 18812 233 1 . 1 1 54 54 THR H H 54 6.990 6.990 7.628 -0.638 18812 234 1 . 1 1 55 55 ASP N N 55 126.400 126.400 123.252 3.148 18812 235 1 . 1 1 55 55 ASP HA H 55 4.630 4.630 5.005 -0.374 18812 236 1 . 1 1 55 55 ASP CA C 55 52.600 52.600 51.514 1.086 18812 237 1 . 1 1 55 55 ASP CB C 55 42.200 42.200 41.997 0.203 18812 238 1 . 1 1 55 55 ASP H H 55 6.900 6.900 7.700 -0.800 18812 239 1 . 1 1 56 56 PRO HA H 56 4.340 4.340 4.302 0.038 18812 240 1 . 1 1 56 56 PRO C C 56 178.500 178.500 178.269 0.231 18812 241 1 . 1 1 56 56 PRO CA C 56 65.100 65.100 64.772 0.328 18812 242 1 . 1 1 56 56 PRO CB C 56 32.100 32.100 32.213 -0.113 18812 243 1 . 1 1 57 57 GLU N N 57 115.700 115.700 118.593 -2.893 18812 244 1 . 1 1 57 57 GLU C C 57 176.300 176.300 178.307 -2.007 18812 245 1 . 1 1 57 57 GLU CA C 57 59.600 59.600 58.986 0.614 18812 246 1 . 1 1 57 57 GLU CB C 57 29.400 29.400 29.154 0.246 18812 247 1 . 1 1 57 57 GLU H H 57 8.640 8.640 8.410 0.230 18812 248 1 . 1 1 58 58 SER N N 58 115.000 115.000 115.071 -0.071 18812 249 1 . 1 1 58 58 SER HA H 58 4.260 4.260 4.275 -0.015 18812 250 1 . 1 1 58 58 SER C C 58 177.400 177.400 176.686 0.714 18812 251 1 . 1 1 58 58 SER CA C 58 62.900 62.900 61.354 1.546 18812 252 1 . 1 1 58 58 SER CB C 58 69.300 69.300 63.217 6.083 18812 253 1 . 1 1 58 58 SER H H 58 8.180 8.180 8.199 -0.019 18812 254 1 . 1 1 60 60 ALA N N 60 123.000 123.000 122.973 0.027 18812 255 1 . 1 1 60 60 ALA HA H 60 4.630 4.630 4.265 0.365 18812 256 1 . 1 1 60 60 ALA C C 60 180.600 180.600 178.837 1.763 18812 257 1 . 1 1 60 60 ALA CA C 60 53.600 53.600 54.427 -0.827 18812 258 1 . 1 1 60 60 ALA CB C 60 19.200 19.200 18.511 0.689 18812 259 1 . 1 1 60 60 ALA H H 60 8.020 8.020 7.982 0.038 18812 260 1 . 1 1 61 61 GLN N N 61 114.000 114.000 117.395 -3.395 18812 261 1 . 1 1 61 61 GLN HA H 61 4.020 4.020 4.198 -0.178 18812 262 1 . 1 1 61 61 GLN C C 61 176.900 176.900 177.663 -0.763 18812 263 1 . 1 1 61 61 GLN CA C 61 54.900 54.900 57.433 -2.533 18812 264 1 . 1 1 61 61 GLN CB C 61 28.500 28.500 28.899 -0.399 18812 265 1 . 1 1 61 61 GLN H H 61 7.500 7.500 7.813 -0.313 18812 266 1 . 1 1 62 62 ILE N N 62 123.900 123.900 119.306 4.594 18812 267 1 . 1 1 62 62 ILE HA H 62 3.780 3.780 3.850 -0.070 18812 268 1 . 1 1 62 62 ILE C C 62 176.800 176.800 177.426 -0.626 18812 269 1 . 1 1 62 62 ILE CA C 62 65.900 65.900 63.891 2.009 18812 270 1 . 1 1 62 62 ILE CB C 62 37.700 37.700 38.181 -0.481 18812 271 1 . 1 1 62 62 ILE H H 62 7.240 7.240 7.833 -0.593 18812 272 1 . 1 1 63 63 ASP N N 63 114.100 114.100 117.372 -3.272 18812 273 1 . 1 1 63 63 ASP HA H 63 4.810 4.810 4.723 0.087 18812 274 1 . 1 1 63 63 ASP C C 63 177.500 177.500 177.003 0.497 18812 275 1 . 1 1 63 63 ASP CA C 63 51.700 51.700 53.976 -2.276 18812 276 1 . 1 1 63 63 ASP CB C 63 40.300 40.300 42.789 -2.489 18812 277 1 . 1 1 63 63 ASP H H 63 7.860 7.860 7.912 -0.052 18812 278 1 . 1 1 64 64 GLY N N 64 104.800 104.800 107.961 -3.161 18812 279 1 . 1 1 64 64 GLY C C 64 173.400 173.400 173.767 -0.367 18812 280 1 . 1 1 64 64 GLY CA C 64 45.900 45.900 45.729 0.171 18812 281 1 . 1 1 64 64 GLY H H 64 7.860 7.860 8.149 -0.289 18812 282 1 . 1 1 65 65 VAL N N 65 117.700 117.700 117.373 0.327 18812 283 1 . 1 1 65 65 VAL HA H 65 4.500 4.500 4.419 0.081 18812 284 1 . 1 1 65 65 VAL C C 65 173.300 173.300 174.309 -1.009 18812 285 1 . 1 1 65 65 VAL CA C 65 60.100 60.100 60.749 -0.649 18812 286 1 . 1 1 65 65 VAL CB C 65 36.100 36.100 34.879 1.221 18812 287 1 . 1 1 65 65 VAL H H 65 7.550 7.550 7.568 -0.018 18812 288 1 . 1 1 66 66 VAL N N 66 129.500 129.500 125.625 3.875 18812 289 1 . 1 1 66 66 VAL HA H 66 4.730 4.730 4.501 0.229 18812 290 1 . 1 1 66 66 VAL C C 66 174.300 174.300 174.780 -0.480 18812 291 1 . 1 1 66 66 VAL CA C 66 61.500 61.500 61.932 -0.432 18812 292 1 . 1 1 66 66 VAL CB C 66 31.800 31.800 32.228 -0.428 18812 293 1 . 1 1 66 66 VAL H H 66 8.540 8.540 8.408 0.132 18812 294 1 . 1 1 67 67 SER N N 67 123.500 123.500 123.672 -0.172 18812 295 1 . 1 1 67 67 SER HA H 67 5.510 5.510 4.800 0.710 18812 296 1 . 1 1 67 67 SER CA C 67 55.700 55.700 56.955 -1.255 18812 297 1 . 1 1 67 67 SER CB C 67 66.100 66.100 65.966 0.134 18812 298 1 . 1 1 67 67 SER H H 67 9.370 9.370 8.220 1.150 18812 299 1 . 1 1 68 68 LYS C C 68 177.100 177.100 177.754 -0.654 18812 300 1 . 1 1 69 69 ASP N N 69 114.800 114.800 117.747 -2.946 18812 301 1 . 1 1 69 69 ASP HA H 69 4.450 4.450 4.485 -0.035 18812 302 1 . 1 1 69 69 ASP C C 69 178.800 178.800 177.866 0.934 18812 303 1 . 1 1 69 69 ASP CA C 69 56.900 56.900 56.774 0.126 18812 304 1 . 1 1 69 69 ASP CB C 69 40.400 40.400 40.077 0.323 18812 305 1 . 1 1 69 69 ASP H H 69 8.420 8.420 8.562 -0.142 18812 306 1 . 1 1 70 70 GLU N N 70 120.300 120.300 119.780 0.520 18812 307 1 . 1 1 70 70 GLU HA H 70 4.150 4.150 4.095 0.055 18812 308 1 . 1 1 70 70 GLU C C 70 178.000 178.000 178.640 -0.640 18812 309 1 . 1 1 70 70 GLU CA C 70 59.200 59.200 59.203 -0.003 18812 310 1 . 1 1 70 70 GLU CB C 70 28.600 28.600 29.137 -0.537 18812 311 1 . 1 1 70 70 GLU H H 70 7.600 7.600 8.280 -0.680 18812 312 1 . 1 1 71 71 ILE N N 71 119.100 119.100 120.965 -1.865 18812 313 1 . 1 1 71 71 ILE HA H 71 3.430 3.430 3.613 -0.183 18812 314 1 . 1 1 71 71 ILE C C 71 177.300 177.300 178.116 -0.816 18812 315 1 . 1 1 71 71 ILE CA C 71 67.300 67.300 65.333 1.967 18812 316 1 . 1 1 71 71 ILE CB C 71 37.800 37.800 37.661 0.139 18812 317 1 . 1 1 71 71 ILE H H 71 8.050 8.050 7.640 0.410 18812 318 1 . 1 1 72 72 GLU N N 72 116.200 116.200 119.296 -3.096 18812 319 1 . 1 1 72 72 GLU HA H 72 3.650 3.650 3.924 -0.274 18812 320 1 . 1 1 72 72 GLU C C 72 178.000 178.000 178.965 -0.965 18812 321 1 . 1 1 72 72 GLU CA C 72 61.000 61.000 59.600 1.400 18812 322 1 . 1 1 72 72 GLU CB C 72 30.200 30.200 29.071 1.129 18812 323 1 . 1 1 72 72 GLU H H 72 8.460 8.460 8.078 0.382 18812 324 1 . 1 1 73 73 LYS N N 73 118.600 118.600 120.267 -1.667 18812 325 1 . 1 1 73 73 LYS C C 73 179.000 179.000 179.025 -0.025 18812 326 1 . 1 1 73 73 LYS CA C 73 59.400 59.400 58.934 0.466 18812 327 1 . 1 1 73 73 LYS CB C 73 32.600 32.600 32.114 0.486 18812 328 1 . 1 1 73 73 LYS H H 73 8.020 8.020 7.841 0.179 18812 329 1 . 1 1 74 74 PHE N N 74 118.500 118.500 118.469 0.031 18812 330 1 . 1 1 74 74 PHE HA H 74 4.320 4.320 4.275 0.045 18812 331 1 . 1 1 74 74 PHE C C 74 179.400 179.400 178.197 1.204 18812 332 1 . 1 1 74 74 PHE CA C 74 61.300 61.300 61.408 -0.108 18812 333 1 . 1 1 74 74 PHE CB C 74 38.300 38.300 38.904 -0.604 18812 334 1 . 1 1 74 74 PHE H H 74 8.870 8.870 8.353 0.517 18812 335 1 . 1 1 75 75 ILE N N 75 119.000 119.000 119.774 -0.774 18812 336 1 . 1 1 75 75 ILE HA H 75 3.770 3.770 3.598 0.172 18812 337 1 . 1 1 75 75 ILE C C 75 177.900 177.900 178.275 -0.375 18812 338 1 . 1 1 75 75 ILE CA C 75 66.800 66.800 65.204 1.596 18812 339 1 . 1 1 75 75 ILE CB C 75 38.500 38.500 37.691 0.809 18812 340 1 . 1 1 75 75 ILE H H 75 8.570 8.570 8.294 0.275 18812 341 1 . 1 1 76 76 ALA N N 76 122.200 122.200 121.740 0.460 18812 342 1 . 1 1 76 76 ALA HA H 76 4.570 4.570 3.972 0.598 18812 343 1 . 1 1 76 76 ALA C C 76 181.000 181.000 179.236 1.764 18812 344 1 . 1 1 76 76 ALA CA C 76 54.600 54.600 54.957 -0.357 18812 345 1 . 1 1 76 76 ALA CB C 76 18.400 18.400 17.957 0.443 18812 346 1 . 1 1 76 76 ALA H H 76 8.230 8.230 8.316 -0.086 18812 347 1 . 1 1 77 77 ASP N N 77 117.200 117.200 118.189 -0.989 18812 348 1 . 1 1 77 77 ASP HA H 77 4.440 4.440 4.406 0.034 18812 349 1 . 1 1 77 77 ASP C C 77 177.200 177.200 177.383 -0.183 18812 350 1 . 1 1 77 77 ASP CA C 77 56.700 56.700 56.494 0.206 18812 351 1 . 1 1 77 77 ASP CB C 77 41.100 41.100 41.082 0.018 18812 352 1 . 1 1 77 77 ASP H H 77 7.900 7.900 7.837 0.063 18812 353 1 . 1 1 78 78 VAL N N 78 118.100 118.100 118.266 -0.166 18812 354 1 . 1 1 78 78 VAL HA H 78 3.970 3.970 4.111 -0.141 18812 355 1 . 1 1 78 78 VAL C C 78 177.800 177.800 175.179 2.621 18812 356 1 . 1 1 78 78 VAL CA C 78 64.800 64.800 62.138 2.662 18812 357 1 . 1 1 78 78 VAL CB C 78 32.700 32.700 30.471 2.229 18812 358 1 . 1 1 78 78 VAL H H 78 7.730 7.730 7.613 0.117 18812 359 1 . 1 1 79 79 THR N N 79 109.800 109.800 111.275 -1.475 18812 360 1 . 1 1 79 79 THR HA H 79 4.100 4.100 3.906 0.194 18812 361 1 . 1 1 79 79 THR C C 79 175.700 175.700 174.536 1.164 18812 362 1 . 1 1 79 79 THR CA C 79 69.400 69.400 64.066 5.334 18812 363 1 . 1 1 79 79 THR CB C 79 63.100 63.100 67.579 -4.479 18812 364 1 . 1 1 79 79 THR H H 79 8.830 8.830 7.635 1.195 18812 365 1 . 1 1 80 80 LYS N N 80 115.700 115.700 120.414 -4.714 18812 366 1 . 1 1 80 80 LYS HA H 80 4.010 4.010 4.268 -0.258 18812 367 1 . 1 1 80 80 LYS CA C 80 55.700 55.700 57.463 -1.763 18812 368 1 . 1 1 80 80 LYS CB C 80 28.400 28.400 32.798 -4.398 18812 369 1 . 1 1 80 80 LYS H H 80 8.440 8.440 7.671 0.769 18812 370 1 . 1 1 81 81 ASP N N 81 119.600 119.600 117.055 2.545 18812 371 1 . 1 1 81 81 ASP HA H 81 4.850 4.850 4.291 0.559 18812 372 1 . 1 1 81 81 ASP C C 81 174.400 174.400 175.331 -0.931 18812 373 1 . 1 1 81 81 ASP CA C 81 51.200 51.200 56.890 -5.690 18812 374 1 . 1 1 81 81 ASP CB C 81 44.400 44.400 40.018 4.382 18812 375 1 . 1 1 81 81 ASP H H 81 8.140 8.140 8.057 0.083 18812 376 1 . 1 1 82 82 GLU N N 82 120.500 120.500 120.913 -0.413 18812 377 1 . 1 1 82 82 GLU HA H 82 4.450 4.450 4.760 -0.310 18812 378 1 . 1 1 82 82 GLU CA C 82 54.200 54.200 53.480 0.720 18812 379 1 . 1 1 82 82 GLU CB C 82 29.900 29.900 30.617 -0.717 18812 380 1 . 1 1 82 82 GLU H H 82 8.810 8.810 8.125 0.685 18812 381 1 . 1 1 83 83 PRO HA H 83 4.650 4.650 4.736 -0.086 18812 382 1 . 1 1 83 83 PRO C C 83 176.900 176.900 176.290 0.610 18812 383 1 . 1 1 83 83 PRO CA C 83 62.400 62.400 62.324 0.076 18812 384 1 . 1 1 83 83 PRO CB C 83 32.600 32.600 31.643 0.957 18812 385 1 . 1 1 84 84 THR N N 84 115.300 115.300 117.974 -2.674 18812 386 1 . 1 1 84 84 THR HA H 84 4.590 4.590 4.450 0.140 18812 387 1 . 1 1 84 84 THR C C 84 175.000 175.000 175.734 -0.734 18812 388 1 . 1 1 84 84 THR CA C 84 59.800 59.800 59.574 0.226 18812 389 1 . 1 1 84 84 THR CB C 84 71.700 71.700 71.124 0.576 18812 390 1 . 1 1 84 84 THR H H 84 9.550 9.550 8.695 0.855 18812 391 1 . 1 1 85 85 ALA N N 85 124.400 124.400 125.959 -1.559 18812 392 1 . 1 1 85 85 ALA HA H 85 4.060 4.060 4.047 0.013 18812 393 1 . 1 1 85 85 ALA C C 85 180.900 180.900 179.429 1.471 18812 394 1 . 1 1 85 85 ALA CA C 85 55.300 55.300 55.474 -0.174 18812 395 1 . 1 1 85 85 ALA CB C 85 18.000 18.000 18.512 -0.512 18812 396 1 . 1 1 85 85 ALA H H 85 8.970 8.970 8.814 0.156 18812 397 1 . 1 1 86 86 GLN N N 86 116.500 116.500 118.170 -1.670 18812 398 1 . 1 1 86 86 GLN HA H 86 4.120 4.120 3.994 0.126 18812 399 1 . 1 1 86 86 GLN CA C 86 58.900 58.900 59.278 -0.378 18812 400 1 . 1 1 86 86 GLN CB C 86 28.100 28.100 28.330 -0.230 18812 401 1 . 1 1 86 86 GLN H H 86 8.680 8.680 8.129 0.551 18812 402 1 . 1 1 87 87 ASP N N 87 122.300 122.300 120.308 1.992 18812 403 1 . 1 1 87 87 ASP HA H 87 4.600 4.600 4.393 0.207 18812 404 1 . 1 1 87 87 ASP C C 87 178.200 178.200 178.745 -0.545 18812 405 1 . 1 1 87 87 ASP CA C 87 57.800 57.800 57.508 0.292 18812 406 1 . 1 1 87 87 ASP CB C 87 39.700 39.700 40.529 -0.829 18812 407 1 . 1 1 87 87 ASP H H 87 7.820 7.820 7.689 0.131 18812 408 1 . 1 1 88 88 ILE N N 88 120.900 120.900 119.926 0.974 18812 409 1 . 1 1 88 88 ILE HA H 88 3.480 3.480 3.711 -0.231 18812 410 1 . 1 1 88 88 ILE C C 88 177.800 177.800 178.154 -0.354 18812 411 1 . 1 1 88 88 ILE CA C 88 65.800 65.800 64.744 1.056 18812 412 1 . 1 1 88 88 ILE CB C 88 38.300 38.300 37.716 0.584 18812 413 1 . 1 1 88 88 ILE H H 88 8.160 8.160 8.222 -0.062 18812 414 1 . 1 1 89 89 SER N N 89 113.200 113.200 115.541 -2.341 18812 415 1 . 1 1 89 89 SER HA H 89 4.240 4.240 4.105 0.135 18812 416 1 . 1 1 89 89 SER C C 89 177.200 177.200 176.802 0.398 18812 417 1 . 1 1 89 89 SER CA C 89 61.700 61.700 61.986 -0.286 18812 418 1 . 1 1 89 89 SER CB C 89 62.700 62.700 62.979 -0.279 18812 419 1 . 1 1 89 89 SER H H 89 7.970 7.970 8.263 -0.293 18812 420 1 . 1 1 90 90 ARG N N 90 123.100 123.100 121.565 1.535 18812 421 1 . 1 1 90 90 ARG HA H 90 4.110 4.110 4.023 0.087 18812 422 1 . 1 1 90 90 ARG CA C 90 59.900 59.900 59.228 0.673 18812 423 1 . 1 1 90 90 ARG CB C 90 31.700 31.700 30.025 1.675 18812 424 1 . 1 1 90 90 ARG H H 90 8.450 8.450 8.063 0.387 18812 425 1 . 1 1 91 91 VAL N N 91 119.200 119.200 119.817 -0.617 18812 426 1 . 1 1 91 91 VAL HA H 91 3.430 3.430 3.629 -0.200 18812 427 1 . 1 1 91 91 VAL C C 91 177.300 177.300 177.894 -0.594 18812 428 1 . 1 1 91 91 VAL CA C 91 66.800 66.800 66.648 0.152 18812 429 1 . 1 1 91 91 VAL CB C 91 31.700 31.700 31.374 0.326 18812 430 1 . 1 1 91 91 VAL H H 91 8.140 8.140 8.288 -0.148 18812 431 1 . 1 1 92 92 ALA N N 92 121.100 121.100 121.177 -0.077 18812 432 1 . 1 1 92 92 ALA HA H 92 3.960 3.960 3.953 0.007 18812 433 1 . 1 1 92 92 ALA C C 92 179.200 179.200 179.860 -0.660 18812 434 1 . 1 1 92 92 ALA CA C 92 55.900 55.900 55.394 0.506 18812 435 1 . 1 1 92 92 ALA CB C 92 18.400 18.400 18.003 0.397 18812 436 1 . 1 1 92 92 ALA H H 92 9.020 9.020 8.438 0.582 18812 437 1 . 1 1 93 93 SER N N 93 112.100 112.100 114.310 -2.210 18812 438 1 . 1 1 93 93 SER HA H 93 4.240 4.240 4.180 0.060 18812 439 1 . 1 1 93 93 SER C C 93 177.300 177.300 176.921 0.379 18812 440 1 . 1 1 93 93 SER CA C 93 62.000 62.000 61.635 0.365 18812 441 1 . 1 1 93 93 SER CB C 93 62.700 62.700 62.896 -0.196 18812 442 1 . 1 1 93 93 SER H H 93 8.730 8.730 8.109 0.621 18812 443 1 . 1 1 94 94 ARG N N 94 122.500 122.500 121.571 0.929 18812 444 1 . 1 1 94 94 ARG HA H 94 4.260 4.260 4.097 0.163 18812 445 1 . 1 1 94 94 ARG C C 94 179.900 179.900 178.961 0.939 18812 446 1 . 1 1 94 94 ARG CA C 94 57.800 57.800 58.029 -0.229 18812 447 1 . 1 1 94 94 ARG CB C 94 29.200 29.200 29.613 -0.413 18812 448 1 . 1 1 94 94 ARG H H 94 7.520 7.520 8.030 -0.510 18812 449 1 . 1 1 95 95 LEU N N 95 121.500 121.500 117.019 4.481 18812 450 1 . 1 1 95 95 LEU HA H 95 4.240 4.240 4.190 0.050 18812 451 1 . 1 1 95 95 LEU C C 95 179.000 179.000 178.560 0.440 18812 452 1 . 1 1 95 95 LEU CA C 95 58.100 58.100 57.784 0.316 18812 453 1 . 1 1 95 95 LEU CB C 95 41.800 41.800 40.791 1.009 18812 454 1 . 1 1 95 95 LEU H H 95 8.350 8.350 8.097 0.253 18812 455 1 . 1 1 96 96 ALA N N 96 121.900 121.900 121.296 0.604 18812 456 1 . 1 1 96 96 ALA HA H 96 4.320 4.320 4.009 0.311 18812 457 1 . 1 1 96 96 ALA C C 96 182.200 182.200 179.464 2.736 18812 458 1 . 1 1 96 96 ALA CA C 96 55.100 55.100 54.563 0.537 18812 459 1 . 1 1 96 96 ALA CB C 96 18.000 18.000 18.297 -0.297 18812 460 1 . 1 1 96 96 ALA H H 96 8.740 8.740 8.136 0.604 18812 461 1 . 1 1 97 97 ALA N N 97 121.400 121.400 119.974 1.426 18812 462 1 . 1 1 97 97 ALA HA H 97 4.230 4.230 4.171 0.059 18812 463 1 . 1 1 97 97 ALA C C 97 179.200 179.200 178.964 0.236 18812 464 1 . 1 1 97 97 ALA CA C 97 54.600 54.600 53.496 1.104 18812 465 1 . 1 1 97 97 ALA CB C 97 18.000 18.000 18.763 -0.763 18812 466 1 . 1 1 97 97 ALA H H 97 8.190 8.190 7.849 0.341 18812 467 1 . 1 1 98 98 GLY N N 98 103.500 103.500 106.273 -2.773 18812 468 1 . 1 1 98 98 GLY C C 98 173.700 173.700 174.761 -1.061 18812 469 1 . 1 1 98 98 GLY CA C 98 44.800 44.800 44.776 0.024 18812 470 1 . 1 1 98 98 GLY H H 98 7.710 7.710 7.803 -0.093 18812 471 1 . 1 1 99 99 GLY N N 99 107.600 107.600 108.649 -1.049 18812 472 1 . 1 1 99 99 GLY CA C 99 45.200 45.200 44.525 0.675 18812 473 1 . 1 1 99 99 GLY H H 99 7.710 7.710 7.494 0.216 18812 474 1 . 1 1 100 100 TRP N N 100 123.600 123.600 124.764 -1.164 18812 475 1 . 1 1 100 100 TRP CB C 100 52.300 52.300 28.386 23.914 18812 476 1 . 1 1 100 100 TRP H H 100 7.820 7.820 8.085 -0.265 18812 477 1 . 1 1 101 101 PRO HA H 101 3.930 3.930 4.357 -0.427 18812 478 1 . 1 1 101 101 PRO C C 101 175.600 175.600 175.818 -0.218 18812 479 1 . 1 1 101 101 PRO CA C 101 62.600 62.600 63.613 -1.013 18812 480 1 . 1 1 101 101 PRO CB C 101 34.200 34.200 31.758 2.442 18812 481 1 . 1 1 102 102 LEU N N 102 122.800 122.800 120.965 1.834 18812 482 1 . 1 1 102 102 LEU H H 102 8.470 8.470 7.818 0.652 18812 483 1 . 1 1 103 103 ALA HA H 103 4.660 4.660 4.430 0.230 18812 484 1 . 1 1 103 103 ALA C C 103 177.100 177.100 177.249 -0.149 18812 485 1 . 1 1 103 103 ALA CA C 103 51.500 51.500 52.018 -0.519 18812 486 1 . 1 1 103 103 ALA CB C 103 21.700 21.700 19.172 2.528 18812 487 1 . 1 1 104 104 GLY N N 104 108.500 108.500 109.720 -1.220 18812 488 1 . 1 1 104 104 GLY C C 104 173.900 173.900 174.043 -0.144 18812 489 1 . 1 1 104 104 GLY CA C 104 45.900 45.900 45.289 0.611 18812 490 1 . 1 1 104 104 GLY H H 104 8.700 8.700 8.369 0.331 18812 491 1 . 1 1 105 105 VAL N N 105 116.700 116.700 119.010 -2.310 18812 492 1 . 1 1 105 105 VAL HA H 105 4.220 4.220 4.146 0.074 18812 493 1 . 1 1 105 105 VAL C C 105 174.700 174.700 175.062 -0.362 18812 494 1 . 1 1 105 105 VAL CA C 105 61.000 61.000 61.846 -0.846 18812 495 1 . 1 1 105 105 VAL CB C 105 33.100 33.100 32.050 1.050 18812 496 1 . 1 1 105 105 VAL H H 105 7.660 7.660 7.689 -0.029 18812 497 1 . 1 1 106 106 ASP N N 106 125.100 125.100 125.230 -0.130 18812 498 1 . 1 1 106 106 ASP HA H 106 4.670 4.670 4.772 -0.102 18812 499 1 . 1 1 106 106 ASP C C 106 176.500 176.500 176.101 0.399 18812 500 1 . 1 1 106 106 ASP CA C 106 54.000 54.000 54.027 -0.028 18812 501 1 . 1 1 106 106 ASP CB C 106 41.300 41.300 42.111 -0.811 18812 502 1 . 1 1 106 106 ASP H H 106 8.600 8.600 8.289 0.311 18812 503 1 . 1 1 107 107 SER N N 107 117.400 117.400 117.937 -0.537 18812 504 1 . 1 1 107 107 SER HA H 107 4.320 4.320 4.413 -0.093 18812 505 1 . 1 1 107 107 SER C C 107 175.400 175.400 175.765 -0.365 18812 506 1 . 1 1 107 107 SER CA C 107 59.500 59.500 60.076 -0.576 18812 507 1 . 1 1 107 107 SER CB C 107 63.200 63.200 63.761 -0.561 18812 508 1 . 1 1 107 107 SER H H 107 8.560 8.560 8.585 -0.025 18812 509 1 . 1 1 108 108 THR N N 108 115.100 115.100 116.441 -1.341 18812 510 1 . 1 1 108 108 THR HA H 108 4.260 4.260 4.222 0.038 18812 511 1 . 1 1 108 108 THR C C 108 174.800 174.800 175.140 -0.340 18812 512 1 . 1 1 108 108 THR CA C 108 63.000 63.000 64.001 -1.001 18812 513 1 . 1 1 108 108 THR CB C 108 69.300 69.300 68.691 0.609 18812 514 1 . 1 1 108 108 THR H H 108 8.230 8.230 8.101 0.129 18812 515 1 . 1 1 109 109 ALA N N 109 125.000 125.000 122.608 2.392 18812 516 1 . 1 1 109 109 ALA HA H 109 4.360 4.360 4.401 -0.041 18812 517 1 . 1 1 109 109 ALA C C 109 177.500 177.500 176.937 0.563 18812 518 1 . 1 1 109 109 ALA CA C 109 52.500 52.500 52.383 0.117 18812 519 1 . 1 1 109 109 ALA CB C 109 19.100 19.100 18.916 0.184 18812 520 1 . 1 1 109 109 ALA H H 109 8.020 8.020 8.024 -0.004 18812 521 1 . 1 1 110 110 LEU N N 110 119.400 119.400 118.255 1.145 18812 522 1 . 1 1 110 110 LEU HA H 110 4.350 4.350 4.502 -0.152 18812 523 1 . 1 1 110 110 LEU C C 110 176.800 176.800 175.797 1.004 18812 524 1 . 1 1 110 110 LEU CA C 110 55.000 55.000 54.704 0.296 18812 525 1 . 1 1 110 110 LEU CB C 110 42.000 42.000 42.349 -0.349 18812 526 1 . 1 1 110 110 LEU H H 110 7.880 7.880 7.481 0.399 18812 527 1 . 1 1 111 111 ASN N N 111 118.700 118.700 118.942 -0.242 18812 528 1 . 1 1 111 111 ASN HA H 111 4.730 4.730 4.670 0.060 18812 529 1 . 1 1 111 111 ASN C C 111 173.600 173.600 174.162 -0.562 18812 530 1 . 1 1 111 111 ASN CA C 111 52.900 52.900 53.169 -0.268 18812 531 1 . 1 1 111 111 ASN CB C 111 39.000 39.000 39.283 -0.283 18812 532 1 . 1 1 111 111 ASN H H 111 8.230 8.230 8.127 0.103 18812 stop_ save_