data_18237 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18237 _Entry.PDB_ID 2LP7 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 18237 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 TYR N N 2 120.470 120.470 119.718 0.752 18237 2 1 1 . 1 1 2 2 TYR C C 2 176.535 176.535 174.928 1.607 18237 3 1 1 . 1 1 2 2 TYR CA C 2 55.995 55.995 58.202 -2.207 18237 4 1 1 . 1 1 2 2 TYR CB C 2 37.313 37.313 40.929 -3.616 18237 5 1 1 . 1 1 2 2 TYR H H 2 7.951 7.951 8.219 -0.268 18237 6 1 1 . 1 1 3 3 ILE N N 3 118.307 118.307 118.496 -0.189 18237 7 1 1 . 1 1 3 3 ILE CA C 3 58.968 58.968 59.554 -0.586 18237 8 1 1 . 1 1 3 3 ILE CB C 3 38.074 38.074 38.234 -0.160 18237 9 1 1 . 1 1 3 3 ILE H H 3 8.381 8.381 8.118 0.263 18237 10 1 1 . 1 1 5 5 GLU N N 5 118.785 118.785 123.134 -4.349 18237 11 1 1 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.265 -0.010 18237 12 1 1 . 1 1 5 5 GLU C C 5 176.267 176.267 173.736 2.531 18237 13 1 1 . 1 1 5 5 GLU CA C 5 55.959 55.959 57.169 -1.210 18237 14 1 1 . 1 1 5 5 GLU CB C 5 30.034 30.034 31.058 -1.024 18237 15 1 1 . 1 1 5 5 GLU H H 5 7.710 7.710 8.717 -1.007 18237 16 1 1 . 1 1 6 6 ALA N N 6 131.546 131.546 126.213 5.333 18237 17 1 1 . 1 1 6 6 ALA HA H 6 3.575 3.575 3.698 -0.123 18237 18 1 1 . 1 1 6 6 ALA CA C 6 50.959 50.959 49.101 1.858 18237 19 1 1 . 1 1 6 6 ALA CB C 6 14.389 14.389 19.057 -4.668 18237 20 1 1 . 1 1 6 6 ALA H H 6 8.338 8.338 7.923 0.415 18237 21 1 1 . 1 1 8 8 ARG N N 8 126.915 126.915 121.598 5.317 18237 22 1 1 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.523 -0.453 18237 23 1 1 . 1 1 8 8 ARG C C 8 175.110 175.110 175.375 -0.265 18237 24 1 1 . 1 1 8 8 ARG CA C 8 54.699 54.699 56.117 -1.418 18237 25 1 1 . 1 1 8 8 ARG CB C 8 28.078 28.078 31.183 -3.105 18237 26 1 1 . 1 1 8 8 ARG H H 8 8.725 8.725 8.440 0.285 18237 27 1 1 . 1 1 9 9 ASP N N 9 123.653 123.653 124.403 -0.750 18237 28 1 1 . 1 1 9 9 ASP C C 9 178.015 178.015 177.267 0.748 18237 29 1 1 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.273 -1.526 18237 30 1 1 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.324 -0.480 18237 31 1 1 . 1 1 9 9 ASP H H 9 8.432 8.432 8.586 -0.154 18237 32 1 1 . 1 1 10 10 GLY N N 10 111.908 111.908 108.099 3.809 18237 33 1 1 . 1 1 10 10 GLY C C 10 174.822 174.822 174.831 -0.009 18237 34 1 1 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.092 0.152 18237 35 1 1 . 1 1 10 10 GLY H H 10 9.727 9.727 8.605 1.122 18237 36 1 1 . 1 1 11 11 GLN N N 11 118.395 118.395 119.053 -0.658 18237 37 1 1 . 1 1 11 11 GLN C C 11 174.711 174.711 174.025 0.686 18237 38 1 1 . 1 1 11 11 GLN CA C 11 53.398 53.398 54.789 -1.391 18237 39 1 1 . 1 1 11 11 GLN CB C 11 30.306 30.306 29.725 0.581 18237 40 1 1 . 1 1 11 11 GLN H H 11 8.416 8.416 7.727 0.689 18237 41 1 1 . 1 1 12 12 ALA N N 12 121.020 121.020 123.125 -2.105 18237 42 1 1 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.210 0.733 18237 43 1 1 . 1 1 12 12 ALA C C 12 177.990 177.990 175.239 2.751 18237 44 1 1 . 1 1 12 12 ALA CA C 12 50.511 50.511 50.945 -0.434 18237 45 1 1 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.720 -0.573 18237 46 1 1 . 1 1 12 12 ALA H H 12 7.933 7.933 8.126 -0.193 18237 47 1 1 . 1 1 13 13 TYR N N 13 121.755 121.755 119.844 1.911 18237 48 1 1 . 1 1 13 13 TYR C C 13 175.519 175.519 174.843 0.676 18237 49 1 1 . 1 1 13 13 TYR CA C 13 59.090 59.090 56.193 2.897 18237 50 1 1 . 1 1 13 13 TYR CB C 13 43.180 43.180 41.192 1.988 18237 51 1 1 . 1 1 13 13 TYR H H 13 9.575 9.575 8.216 1.359 18237 52 1 1 . 1 1 14 14 VAL N N 14 112.251 112.251 120.512 -8.261 18237 53 1 1 . 1 1 14 14 VAL C C 14 174.074 174.074 174.767 -0.693 18237 54 1 1 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.373 -0.283 18237 55 1 1 . 1 1 14 14 VAL CB C 14 32.750 32.750 34.968 -2.218 18237 56 1 1 . 1 1 14 14 VAL H H 14 9.659 9.659 9.023 0.636 18237 57 1 1 . 1 1 15 15 ARG N N 15 124.657 124.657 123.207 1.450 18237 58 1 1 . 1 1 15 15 ARG C C 15 174.948 174.948 175.238 -0.290 18237 59 1 1 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.816 -2.296 18237 60 1 1 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.182 2.351 18237 61 1 1 . 1 1 15 15 ARG H H 15 8.503 8.503 8.523 -0.020 18237 62 1 1 . 1 1 16 16 LYS N N 16 128.240 128.240 125.568 2.672 18237 63 1 1 . 1 1 16 16 LYS C C 16 175.974 175.974 175.483 0.491 18237 64 1 1 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.552 0.224 18237 65 1 1 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.390 1.163 18237 66 1 1 . 1 1 16 16 LYS H H 16 9.052 9.052 8.582 0.470 18237 67 1 1 . 1 1 17 17 ASP N N 17 130.562 130.562 126.846 3.716 18237 68 1 1 . 1 1 17 17 ASP C C 17 175.822 175.822 176.300 -0.478 18237 69 1 1 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.789 1.658 18237 70 1 1 . 1 1 17 17 ASP CB C 17 40.192 40.192 39.506 0.686 18237 71 1 1 . 1 1 17 17 ASP H H 17 10.886 10.886 9.094 1.792 18237 72 1 1 . 1 1 18 18 GLY N N 18 104.754 104.754 106.436 -1.682 18237 73 1 1 . 1 1 18 18 GLY C C 18 173.104 173.104 173.483 -0.379 18237 74 1 1 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.339 -0.095 18237 75 1 1 . 1 1 18 18 GLY H H 18 9.353 9.353 8.104 1.249 18237 76 1 1 . 1 1 19 19 GLU N N 19 117.501 117.501 118.028 -0.527 18237 77 1 1 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.233 0.415 18237 78 1 1 . 1 1 19 19 GLU C C 19 176.166 176.166 174.645 1.521 18237 79 1 1 . 1 1 19 19 GLU CA C 19 53.865 53.865 54.571 -0.706 18237 80 1 1 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.874 -0.744 18237 81 1 1 . 1 1 19 19 GLU H H 19 7.813 7.813 7.953 -0.140 18237 82 1 1 . 1 1 20 20 TRP N N 20 122.768 122.768 121.927 0.841 18237 83 1 1 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.536 -0.869 18237 84 1 1 . 1 1 20 20 TRP C C 20 176.302 176.302 176.732 -0.430 18237 85 1 1 . 1 1 20 20 TRP CA C 20 55.878 55.878 56.010 -0.132 18237 86 1 1 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.995 -0.450 18237 87 1 1 . 1 1 20 20 TRP H H 20 9.094 9.094 8.164 0.930 18237 88 1 1 . 1 1 21 21 VAL N N 21 123.071 123.071 124.225 -1.154 18237 89 1 1 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.530 0.455 18237 90 1 1 . 1 1 21 21 VAL C C 21 175.640 175.640 175.896 -0.256 18237 91 1 1 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.755 -1.218 18237 92 1 1 . 1 1 21 21 VAL CB C 21 34.651 34.651 35.347 -0.696 18237 93 1 1 . 1 1 21 21 VAL H H 21 9.868 9.868 8.632 1.236 18237 94 1 1 . 1 1 22 22 LEU N N 22 127.193 127.193 128.686 -1.493 18237 95 1 1 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.474 -0.052 18237 96 1 1 . 1 1 22 22 LEU C C 22 179.268 179.268 178.782 0.486 18237 97 1 1 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.898 -0.264 18237 98 1 1 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.590 -0.311 18237 99 1 1 . 1 1 22 22 LEU H H 22 8.812 8.812 8.984 -0.172 18237 100 1 1 . 1 1 23 23 LEU N N 23 126.386 126.386 128.331 -1.945 18237 101 1 1 . 1 1 23 23 LEU C C 23 178.844 178.844 178.524 0.320 18237 102 1 1 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.224 -0.821 18237 103 1 1 . 1 1 23 23 LEU CB C 23 41.061 41.061 42.136 -1.075 18237 104 1 1 . 1 1 23 23 LEU H H 23 8.562 8.562 8.192 0.370 18237 105 1 1 . 1 1 24 24 SER N N 24 113.100 113.100 114.324 -1.224 18237 106 1 1 . 1 1 24 24 SER HA H 24 4.621 4.621 4.097 0.524 18237 107 1 1 . 1 1 24 24 SER C C 24 176.676 176.676 176.323 0.353 18237 108 1 1 . 1 1 24 24 SER CA C 24 60.960 60.960 61.730 -0.770 18237 109 1 1 . 1 1 24 24 SER CB C 24 61.650 61.650 62.718 -1.068 18237 110 1 1 . 1 1 24 24 SER H H 24 9.098 9.098 8.648 0.450 18237 111 1 1 . 1 1 25 25 THR N N 25 116.715 116.715 117.901 -1.186 18237 112 1 1 . 1 1 25 25 THR HA H 25 3.915 3.915 4.085 -0.170 18237 113 1 1 . 1 1 25 25 THR CA C 25 64.599 64.599 65.873 -1.274 18237 114 1 1 . 1 1 25 25 THR CB C 25 68.657 68.657 68.981 -0.325 18237 115 1 1 . 1 1 25 25 THR H H 25 7.238 7.238 8.238 -1.000 18237 116 1 1 . 1 1 26 26 PHE N N 26 118.488 118.488 119.908 -1.420 18237 117 1 1 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.435 -0.325 18237 118 1 1 . 1 1 26 26 PHE C C 26 176.181 176.181 176.648 -0.467 18237 119 1 1 . 1 1 26 26 PHE CA C 26 58.627 58.627 60.194 -1.567 18237 120 1 1 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.587 0.207 18237 121 1 1 . 1 1 26 26 PHE H H 26 7.945 7.945 8.384 -0.439 18237 122 1 1 . 1 1 27 27 LEU N N 27 118.525 118.525 120.421 -1.896 18237 123 1 1 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.317 0.206 18237 124 1 1 . 1 1 27 27 LEU C C 27 177.752 177.752 177.651 0.101 18237 125 1 1 . 1 1 27 27 LEU CA C 27 54.679 54.679 56.054 -1.375 18237 126 1 1 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.944 -1.611 18237 127 1 1 . 1 1 27 27 LEU H H 27 7.290 7.290 7.669 -0.379 18237 128 1 1 . 1 1 28 28 GLY N N 28 108.823 108.823 105.964 2.859 18237 129 1 1 . 1 1 28 28 GLY C C 28 174.630 174.630 174.139 0.491 18237 130 1 1 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.805 0.569 18237 131 1 1 . 1 1 28 28 GLY H H 28 8.242 8.242 7.782 0.460 18237 132 1 1 . 1 1 29 29 SER N N 29 116.210 116.210 116.145 0.065 18237 133 1 1 . 1 1 29 29 SER HA H 29 4.626 4.626 4.560 0.066 18237 134 1 1 . 1 1 29 29 SER C C 29 175.312 175.312 175.133 0.179 18237 135 1 1 . 1 1 29 29 SER CA C 29 57.992 57.992 58.666 -0.673 18237 136 1 1 . 1 1 29 29 SER CB C 29 63.605 63.605 64.464 -0.859 18237 137 1 1 . 1 1 29 29 SER H H 29 8.310 8.310 7.510 0.800 18237 138 1 1 . 1 1 30 30 SER N N 30 118.892 118.892 115.345 3.547 18237 139 1 1 . 1 1 30 30 SER HA H 30 4.597 4.597 4.367 0.230 18237 140 1 1 . 1 1 30 30 SER C C 30 175.479 175.479 174.415 1.064 18237 141 1 1 . 1 1 30 30 SER CA C 30 58.582 58.582 58.548 0.034 18237 142 1 1 . 1 1 30 30 SER CB C 30 63.605 63.605 61.921 1.684 18237 143 1 1 . 1 1 30 30 SER H H 30 8.593 8.593 8.740 -0.147 18237 144 1 1 . 1 1 31 31 GLY N N 31 111.354 111.354 107.967 3.387 18237 145 1 1 . 1 1 31 31 GLY C C 31 174.428 174.428 173.435 0.993 18237 146 1 1 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.278 0.178 18237 147 1 1 . 1 1 31 31 GLY H H 31 8.584 8.584 8.181 0.403 18237 148 1 1 . 1 1 32 32 ASN N N 32 119.486 119.486 117.259 2.227 18237 149 1 1 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.737 0.080 18237 150 1 1 . 1 1 32 32 ASN C C 32 175.928 175.928 175.856 0.072 18237 151 1 1 . 1 1 32 32 ASN CA C 32 53.215 53.215 53.494 -0.279 18237 152 1 1 . 1 1 32 32 ASN CB C 32 38.780 38.780 39.407 -0.627 18237 153 1 1 . 1 1 32 32 ASN H H 32 8.393 8.393 8.034 0.359 18237 154 1 1 . 1 1 33 33 GLU N N 33 122.031 122.031 121.132 0.899 18237 155 1 1 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.958 0.313 18237 156 1 1 . 1 1 33 33 GLU CA C 33 57.426 57.426 59.075 -1.649 18237 157 1 1 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.349 -0.021 18237 158 1 1 . 1 1 33 33 GLU H H 33 8.711 8.711 8.668 0.043 18237 159 1 1 . 1 1 34 34 GLN N N 34 120.866 120.866 118.512 2.354 18237 160 1 1 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.016 0.255 18237 161 1 1 . 1 1 34 34 GLN CA C 34 56.226 56.226 59.262 -3.036 18237 162 1 1 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.269 0.570 18237 163 1 1 . 1 1 34 34 GLN H H 34 8.438 8.438 8.442 -0.004 18237 164 1 1 . 1 1 35 35 GLU N N 35 122.323 122.323 118.947 3.376 18237 165 1 1 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.387 -0.068 18237 166 1 1 . 1 1 35 35 GLU C C 35 177.176 177.176 179.122 -1.946 18237 167 1 1 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.796 -1.800 18237 168 1 1 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.347 0.198 18237 169 1 1 . 1 1 35 35 GLU H H 35 8.424 8.424 7.964 0.460 18237 170 1 1 . 1 1 36 36 LEU N N 36 122.904 122.904 119.681 3.223 18237 171 1 1 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.193 0.126 18237 172 1 1 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.455 -1.557 18237 173 1 1 . 1 1 36 36 LEU CB C 36 41.496 41.496 42.232 -0.736 18237 174 1 1 . 1 1 36 36 LEU H H 36 8.342 8.342 7.352 0.990 18237 175 1 1 . 1 1 38 38 GLU N N 38 121.931 121.931 121.299 0.632 18237 176 1 1 . 1 1 38 38 GLU HA H 38 4.396 4.396 3.919 0.477 18237 177 1 1 . 1 1 38 38 GLU C C 38 177.318 177.318 178.482 -1.164 18237 178 1 1 . 1 1 38 38 GLU CA C 38 56.366 56.366 60.025 -3.659 18237 179 1 1 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.638 -0.310 18237 180 1 1 . 1 1 38 38 GLU H H 38 8.342 8.342 8.237 0.105 18237 181 1 1 . 1 1 39 39 LEU N N 39 123.317 123.317 120.104 3.213 18237 182 1 1 . 1 1 39 39 LEU HA H 39 4.348 4.348 4.188 0.160 18237 183 1 1 . 1 1 39 39 LEU CA C 39 56.833 56.833 58.727 -1.894 18237 184 1 1 . 1 1 39 39 LEU CB C 39 41.387 41.387 42.036 -0.649 18237 185 1 1 . 1 1 39 39 LEU H H 39 8.342 8.342 8.151 0.191 18237 186 1 1 . 1 1 40 40 ASP N N 40 119.726 119.726 117.112 2.614 18237 187 1 1 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.350 0.221 18237 188 1 1 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.848 -2.259 18237 189 1 1 . 1 1 40 40 ASP H H 40 8.530 8.530 8.614 -0.084 18237 190 1 1 . 1 1 41 41 LYS N N 41 121.200 121.200 120.809 0.391 18237 191 1 1 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.037 0.127 18237 192 1 1 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.720 -0.500 18237 193 1 1 . 1 1 41 41 LYS H H 41 8.145 8.145 7.677 0.468 18237 194 1 1 . 1 1 42 42 TRP N N 42 120.615 120.615 119.783 0.832 18237 195 1 1 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.385 0.212 18237 196 1 1 . 1 1 42 42 TRP C C 42 177.641 177.641 178.454 -0.813 18237 197 1 1 . 1 1 42 42 TRP CA C 42 58.561 58.561 59.375 -0.814 18237 198 1 1 . 1 1 42 42 TRP CB C 42 28.839 28.839 29.214 -0.375 18237 199 1 1 . 1 1 42 42 TRP H H 42 8.025 8.025 8.069 -0.045 18237 200 1 1 . 1 1 43 43 ALA N N 43 122.056 122.056 121.007 1.049 18237 201 1 1 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.084 0.056 18237 202 1 1 . 1 1 43 43 ALA C C 43 172.776 172.776 179.762 -6.986 18237 203 1 1 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.431 -0.568 18237 204 1 1 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.951 0.023 18237 205 1 1 . 1 1 43 43 ALA H H 43 8.199 8.199 8.709 -0.510 18237 206 1 1 . 1 1 44 44 SER N N 44 113.378 113.378 114.693 -1.315 18237 207 1 1 . 1 1 44 44 SER HA H 44 4.376 4.376 4.307 0.069 18237 208 1 1 . 1 1 44 44 SER C C 44 176.767 176.767 176.772 -0.005 18237 209 1 1 . 1 1 44 44 SER CA C 44 60.980 60.980 61.457 -0.477 18237 210 1 1 . 1 1 44 44 SER CB C 44 62.410 62.410 62.630 -0.220 18237 211 1 1 . 1 1 44 44 SER H H 44 8.210 8.210 7.670 0.540 18237 212 1 1 . 1 1 45 45 LEU N N 45 123.425 123.425 121.819 1.606 18237 213 1 1 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.333 -0.139 18237 214 1 1 . 1 1 45 45 LEU CA C 45 57.606 57.606 58.336 -0.730 18237 215 1 1 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.891 -0.721 18237 216 1 1 . 1 1 45 45 LEU H H 45 7.906 7.906 7.537 0.369 18237 217 1 1 . 1 1 46 46 TRP N N 46 118.572 118.572 119.910 -1.338 18237 218 1 1 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.266 0.389 18237 219 1 1 . 1 1 46 46 TRP C C 46 177.838 177.838 176.927 0.911 18237 220 1 1 . 1 1 46 46 TRP CA C 46 58.907 58.907 60.630 -1.723 18237 221 1 1 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.360 -0.141 18237 222 1 1 . 1 1 46 46 TRP H H 46 8.043 8.043 8.327 -0.284 18237 223 1 1 . 1 1 47 47 ASN N N 47 116.564 116.564 116.999 -0.435 18237 224 1 1 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.700 -0.074 18237 225 1 1 . 1 1 47 47 ASN C C 47 176.904 176.904 177.246 -0.342 18237 226 1 1 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.550 -0.505 18237 227 1 1 . 1 1 47 47 ASN CB C 47 38.563 38.563 39.139 -0.576 18237 228 1 1 . 1 1 47 47 ASN H H 47 8.174 8.174 8.440 -0.266 18237 229 1 1 . 1 1 48 48 TRP N N 48 121.421 121.421 121.096 0.325 18237 230 1 1 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.617 -0.250 18237 231 1 1 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.398 1.119 18237 232 1 1 . 1 1 48 48 TRP CB C 48 28.893 28.893 29.984 -1.091 18237 233 1 1 . 1 1 48 48 TRP H H 48 8.145 8.145 7.695 0.450 18237 234 1 1 . 1 1 49 49 PHE N N 49 118.299 118.299 120.188 -1.889 18237 235 1 1 . 1 1 49 49 PHE HA H 49 4.252 4.252 3.358 0.894 18237 236 1 1 . 1 1 49 49 PHE C C 49 175.565 175.565 175.556 0.009 18237 237 1 1 . 1 1 49 49 PHE CA C 49 58.887 58.887 58.728 0.159 18237 238 1 1 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.044 0.627 18237 239 1 1 . 1 1 49 49 PHE H H 49 8.036 8.036 8.232 -0.196 18237 240 1 1 . 1 1 50 50 ASN N N 50 118.836 118.836 119.015 -0.179 18237 241 1 1 . 1 1 50 50 ASN HA H 50 4.626 4.626 3.926 0.700 18237 242 1 1 . 1 1 50 50 ASN C C 50 176.439 176.439 176.717 -0.278 18237 243 1 1 . 1 1 50 50 ASN CA C 50 53.215 53.215 55.121 -1.906 18237 244 1 1 . 1 1 50 50 ASN CB C 50 38.128 38.128 37.540 0.588 18237 245 1 1 . 1 1 50 50 ASN H H 50 7.795 7.795 7.567 0.228 18237 246 1 1 . 1 1 51 51 ILE N N 51 120.218 120.218 116.536 3.682 18237 247 1 1 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.858 -0.067 18237 248 1 1 . 1 1 51 51 ILE C C 51 177.202 177.202 177.152 0.050 18237 249 1 1 . 1 1 51 51 ILE CA C 51 63.102 63.102 65.076 -1.974 18237 250 1 1 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.044 0.323 18237 251 1 1 . 1 1 51 51 ILE H H 51 8.147 8.147 7.105 1.042 18237 252 1 1 . 1 1 52 52 THR N N 52 115.352 115.352 114.508 0.844 18237 253 1 1 . 1 1 52 52 THR HA H 52 4.031 4.031 4.096 -0.065 18237 254 1 1 . 1 1 52 52 THR C C 52 176.095 176.095 176.021 0.074 18237 255 1 1 . 1 1 52 52 THR CA C 52 65.148 65.148 66.210 -1.062 18237 256 1 1 . 1 1 52 52 THR CB C 52 68.277 68.277 67.806 0.471 18237 257 1 1 . 1 1 52 52 THR H H 52 8.009 8.009 7.177 0.832 18237 258 1 1 . 1 1 53 53 ASN N N 53 119.874 119.874 120.893 -1.019 18237 259 1 1 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.181 0.455 18237 260 1 1 . 1 1 53 53 ASN C C 53 176.530 176.530 176.928 -0.398 18237 261 1 1 . 1 1 53 53 ASN CA C 53 54.457 54.457 55.485 -1.028 18237 262 1 1 . 1 1 53 53 ASN CB C 53 37.802 37.802 37.426 0.376 18237 263 1 1 . 1 1 53 53 ASN H H 53 7.972 7.972 6.919 1.053 18237 264 1 1 . 1 1 54 54 TRP N N 54 120.192 120.192 119.792 0.400 18237 265 1 1 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.512 0.143 18237 266 1 1 . 1 1 54 54 TRP CA C 54 58.643 58.643 59.556 -0.913 18237 267 1 1 . 1 1 54 54 TRP CB C 54 29.165 29.165 29.049 0.116 18237 268 1 1 . 1 1 54 54 TRP H H 54 7.897 7.897 7.046 0.851 18237 269 1 1 . 1 1 55 55 LEU N N 55 118.354 118.354 120.116 -1.762 18237 270 1 1 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.872 0.216 18237 271 1 1 . 1 1 55 55 LEU C C 55 177.975 177.975 179.342 -1.367 18237 272 1 1 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.061 -1.591 18237 273 1 1 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.830 -0.932 18237 274 1 1 . 1 1 55 55 LEU H H 55 7.931 7.931 7.681 0.250 18237 275 1 1 . 1 1 56 56 TRP N N 56 118.335 118.335 117.367 0.968 18237 276 1 1 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.339 0.028 18237 277 1 1 . 1 1 56 56 TRP C C 56 176.863 176.863 178.393 -1.530 18237 278 1 1 . 1 1 56 56 TRP CA C 56 59.070 59.070 61.058 -1.988 18237 279 1 1 . 1 1 56 56 TRP CB C 56 28.839 28.839 28.817 0.022 18237 280 1 1 . 1 1 56 56 TRP H H 56 7.665 7.665 7.886 -0.221 18237 281 1 1 . 1 1 57 57 TYR N N 57 116.808 116.808 119.402 -2.594 18237 282 1 1 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.366 -0.194 18237 283 1 1 . 1 1 57 57 TYR C C 57 176.085 176.085 177.143 -1.058 18237 284 1 1 . 1 1 57 57 TYR CA C 57 59.865 59.865 60.948 -1.083 18237 285 1 1 . 1 1 57 57 TYR CB C 57 38.563 38.563 39.006 -0.443 18237 286 1 1 . 1 1 57 57 TYR H H 57 7.578 7.578 7.481 0.097 18237 287 1 1 . 1 1 58 58 ILE N N 58 115.526 115.526 113.546 1.980 18237 288 1 1 . 1 1 58 58 ILE HA H 58 4.265 4.265 4.318 -0.053 18237 289 1 1 . 1 1 58 58 ILE C C 58 174.782 174.782 176.742 -1.960 18237 290 1 1 . 1 1 58 58 ILE CA C 58 60.940 60.940 61.312 -0.372 18237 291 1 1 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.107 0.075 18237 292 1 1 . 1 1 58 58 ILE H H 58 7.586 7.586 8.585 -0.999 18237 293 1 2 . 1 1 2 2 TYR N N 2 120.470 120.470 120.323 0.147 18237 294 1 2 . 1 1 2 2 TYR C C 2 176.535 176.535 176.794 -0.259 18237 295 1 2 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.329 -1.334 18237 296 1 2 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.370 -2.057 18237 297 1 2 . 1 1 2 2 TYR H H 2 7.951 7.951 7.993 -0.042 18237 298 1 2 . 1 1 3 3 ILE N N 3 118.307 118.307 120.178 -1.871 18237 299 1 2 . 1 1 3 3 ILE CA C 3 58.968 58.968 60.512 -1.544 18237 300 1 2 . 1 1 3 3 ILE CB C 3 38.074 38.074 37.594 0.480 18237 301 1 2 . 1 1 3 3 ILE H H 3 8.381 8.381 8.534 -0.153 18237 302 1 2 . 1 1 5 5 GLU N N 5 118.785 118.785 115.962 2.823 18237 303 1 2 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.270 -0.015 18237 304 1 2 . 1 1 5 5 GLU C C 5 176.267 176.267 174.041 2.226 18237 305 1 2 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.246 -0.287 18237 306 1 2 . 1 1 5 5 GLU CB C 5 30.034 30.034 29.963 0.071 18237 307 1 2 . 1 1 5 5 GLU H H 5 7.710 7.710 8.256 -0.546 18237 308 1 2 . 1 1 6 6 ALA N N 6 131.546 131.546 127.445 4.101 18237 309 1 2 . 1 1 6 6 ALA HA H 6 3.575 3.575 3.937 -0.362 18237 310 1 2 . 1 1 6 6 ALA CA C 6 50.959 50.959 50.258 0.701 18237 311 1 2 . 1 1 6 6 ALA CB C 6 14.389 14.389 19.020 -4.631 18237 312 1 2 . 1 1 6 6 ALA H H 6 8.338 8.338 8.086 0.252 18237 313 1 2 . 1 1 8 8 ARG N N 8 126.915 126.915 120.980 5.935 18237 314 1 2 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.503 -0.433 18237 315 1 2 . 1 1 8 8 ARG C C 8 175.110 175.110 175.149 -0.039 18237 316 1 2 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.980 -1.281 18237 317 1 2 . 1 1 8 8 ARG CB C 8 28.078 28.078 31.014 -2.936 18237 318 1 2 . 1 1 8 8 ARG H H 8 8.725 8.725 8.392 0.333 18237 319 1 2 . 1 1 9 9 ASP N N 9 123.653 123.653 124.491 -0.838 18237 320 1 2 . 1 1 9 9 ASP C C 9 178.015 178.015 176.929 1.086 18237 321 1 2 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.543 -1.796 18237 322 1 2 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.394 -0.550 18237 323 1 2 . 1 1 9 9 ASP H H 9 8.432 8.432 8.755 -0.323 18237 324 1 2 . 1 1 10 10 GLY N N 10 111.908 111.908 108.295 3.613 18237 325 1 2 . 1 1 10 10 GLY C C 10 174.822 174.822 174.622 0.200 18237 326 1 2 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.145 0.099 18237 327 1 2 . 1 1 10 10 GLY H H 10 9.727 9.727 8.636 1.091 18237 328 1 2 . 1 1 11 11 GLN N N 11 118.395 118.395 120.267 -1.872 18237 329 1 2 . 1 1 11 11 GLN C C 11 174.711 174.711 174.798 -0.087 18237 330 1 2 . 1 1 11 11 GLN CA C 11 53.398 53.398 55.022 -1.624 18237 331 1 2 . 1 1 11 11 GLN CB C 11 30.306 30.306 30.232 0.074 18237 332 1 2 . 1 1 11 11 GLN H H 11 8.416 8.416 8.117 0.299 18237 333 1 2 . 1 1 12 12 ALA N N 12 121.020 121.020 122.488 -1.468 18237 334 1 2 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.663 0.280 18237 335 1 2 . 1 1 12 12 ALA C C 12 177.990 177.990 175.347 2.643 18237 336 1 2 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.164 -0.653 18237 337 1 2 . 1 1 12 12 ALA CB C 12 20.147 20.147 21.023 -0.876 18237 338 1 2 . 1 1 12 12 ALA H H 12 7.933 7.933 8.148 -0.215 18237 339 1 2 . 1 1 13 13 TYR N N 13 121.755 121.755 119.358 2.397 18237 340 1 2 . 1 1 13 13 TYR C C 13 175.519 175.519 175.188 0.331 18237 341 1 2 . 1 1 13 13 TYR CA C 13 59.090 59.090 57.256 1.834 18237 342 1 2 . 1 1 13 13 TYR CB C 13 43.180 43.180 41.936 1.244 18237 343 1 2 . 1 1 13 13 TYR H H 13 9.575 9.575 8.575 1.000 18237 344 1 2 . 1 1 14 14 VAL N N 14 112.251 112.251 120.958 -8.707 18237 345 1 2 . 1 1 14 14 VAL C C 14 174.074 174.074 174.985 -0.911 18237 346 1 2 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.360 -0.270 18237 347 1 2 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.854 -3.104 18237 348 1 2 . 1 1 14 14 VAL H H 14 9.659 9.659 9.119 0.540 18237 349 1 2 . 1 1 15 15 ARG N N 15 124.657 124.657 124.237 0.420 18237 350 1 2 . 1 1 15 15 ARG C C 15 174.948 174.948 175.252 -0.304 18237 351 1 2 . 1 1 15 15 ARG CA C 15 53.520 53.520 56.009 -2.489 18237 352 1 2 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.367 2.166 18237 353 1 2 . 1 1 15 15 ARG H H 15 8.503 8.503 8.541 -0.038 18237 354 1 2 . 1 1 16 16 LYS N N 16 128.240 128.240 127.654 0.586 18237 355 1 2 . 1 1 16 16 LYS C C 16 175.974 175.974 175.453 0.521 18237 356 1 2 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.509 0.267 18237 357 1 2 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.203 1.350 18237 358 1 2 . 1 1 16 16 LYS H H 16 9.052 9.052 8.718 0.334 18237 359 1 2 . 1 1 17 17 ASP N N 17 130.562 130.562 125.029 5.533 18237 360 1 2 . 1 1 17 17 ASP C C 17 175.822 175.822 176.296 -0.474 18237 361 1 2 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.523 1.924 18237 362 1 2 . 1 1 17 17 ASP CB C 17 40.192 40.192 39.230 0.962 18237 363 1 2 . 1 1 17 17 ASP H H 17 10.886 10.886 9.014 1.872 18237 364 1 2 . 1 1 18 18 GLY N N 18 104.754 104.754 105.854 -1.100 18237 365 1 2 . 1 1 18 18 GLY C C 18 173.104 173.104 173.197 -0.093 18237 366 1 2 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.503 -0.259 18237 367 1 2 . 1 1 18 18 GLY H H 18 9.353 9.353 8.479 0.874 18237 368 1 2 . 1 1 19 19 GLU N N 19 117.501 117.501 117.482 0.019 18237 369 1 2 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.375 0.273 18237 370 1 2 . 1 1 19 19 GLU C C 19 176.166 176.166 174.738 1.428 18237 371 1 2 . 1 1 19 19 GLU CA C 19 53.865 53.865 54.199 -0.334 18237 372 1 2 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.580 -0.450 18237 373 1 2 . 1 1 19 19 GLU H H 19 7.813 7.813 7.945 -0.132 18237 374 1 2 . 1 1 20 20 TRP N N 20 122.768 122.768 121.752 1.016 18237 375 1 2 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.649 -0.982 18237 376 1 2 . 1 1 20 20 TRP C C 20 176.302 176.302 175.993 0.309 18237 377 1 2 . 1 1 20 20 TRP CA C 20 55.878 55.878 55.158 0.720 18237 378 1 2 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.165 0.380 18237 379 1 2 . 1 1 20 20 TRP H H 20 9.094 9.094 7.351 1.743 18237 380 1 2 . 1 1 21 21 VAL N N 21 123.071 123.071 124.287 -1.216 18237 381 1 2 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.502 0.483 18237 382 1 2 . 1 1 21 21 VAL C C 21 175.640 175.640 175.839 -0.199 18237 383 1 2 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.589 -1.052 18237 384 1 2 . 1 1 21 21 VAL CB C 21 34.651 34.651 35.420 -0.769 18237 385 1 2 . 1 1 21 21 VAL H H 21 9.868 9.868 8.496 1.372 18237 386 1 2 . 1 1 22 22 LEU N N 22 127.193 127.193 128.678 -1.485 18237 387 1 2 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.140 0.282 18237 388 1 2 . 1 1 22 22 LEU C C 22 179.268 179.268 178.662 0.606 18237 389 1 2 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.791 -0.157 18237 390 1 2 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.523 -0.244 18237 391 1 2 . 1 1 22 22 LEU H H 22 8.812 8.812 8.994 -0.182 18237 392 1 2 . 1 1 23 23 LEU N N 23 126.386 126.386 128.575 -2.189 18237 393 1 2 . 1 1 23 23 LEU C C 23 178.844 178.844 178.438 0.406 18237 394 1 2 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.196 -0.793 18237 395 1 2 . 1 1 23 23 LEU CB C 23 41.061 41.061 42.129 -1.068 18237 396 1 2 . 1 1 23 23 LEU H H 23 8.562 8.562 8.038 0.524 18237 397 1 2 . 1 1 24 24 SER N N 24 113.100 113.100 113.333 -0.233 18237 398 1 2 . 1 1 24 24 SER HA H 24 4.621 4.621 4.112 0.509 18237 399 1 2 . 1 1 24 24 SER C C 24 176.676 176.676 176.326 0.350 18237 400 1 2 . 1 1 24 24 SER CA C 24 60.960 60.960 61.676 -0.716 18237 401 1 2 . 1 1 24 24 SER CB C 24 61.650 61.650 62.111 -0.461 18237 402 1 2 . 1 1 24 24 SER H H 24 9.098 9.098 8.607 0.491 18237 403 1 2 . 1 1 25 25 THR N N 25 116.715 116.715 118.586 -1.871 18237 404 1 2 . 1 1 25 25 THR HA H 25 3.915 3.915 4.164 -0.249 18237 405 1 2 . 1 1 25 25 THR CA C 25 64.599 64.599 65.993 -1.394 18237 406 1 2 . 1 1 25 25 THR CB C 25 68.657 68.657 68.609 0.048 18237 407 1 2 . 1 1 25 25 THR H H 25 7.238 7.238 8.216 -0.978 18237 408 1 2 . 1 1 26 26 PHE N N 26 118.488 118.488 120.043 -1.555 18237 409 1 2 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.438 -0.328 18237 410 1 2 . 1 1 26 26 PHE C C 26 176.181 176.181 176.734 -0.553 18237 411 1 2 . 1 1 26 26 PHE CA C 26 58.627 58.627 60.054 -1.427 18237 412 1 2 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.736 0.057 18237 413 1 2 . 1 1 26 26 PHE H H 26 7.945 7.945 8.287 -0.342 18237 414 1 2 . 1 1 27 27 LEU N N 27 118.525 118.525 119.646 -1.121 18237 415 1 2 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.331 0.192 18237 416 1 2 . 1 1 27 27 LEU C C 27 177.752 177.752 177.991 -0.239 18237 417 1 2 . 1 1 27 27 LEU CA C 27 54.679 54.679 56.067 -1.388 18237 418 1 2 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.530 -1.197 18237 419 1 2 . 1 1 27 27 LEU H H 27 7.290 7.290 7.773 -0.483 18237 420 1 2 . 1 1 28 28 GLY N N 28 108.823 108.823 105.995 2.828 18237 421 1 2 . 1 1 28 28 GLY C C 28 174.630 174.630 174.228 0.402 18237 422 1 2 . 1 1 28 28 GLY CA C 28 45.374 45.374 45.211 0.163 18237 423 1 2 . 1 1 28 28 GLY H H 28 8.242 8.242 8.276 -0.034 18237 424 1 2 . 1 1 29 29 SER N N 29 116.210 116.210 116.488 -0.278 18237 425 1 2 . 1 1 29 29 SER HA H 29 4.626 4.626 4.563 0.063 18237 426 1 2 . 1 1 29 29 SER C C 29 175.312 175.312 175.882 -0.570 18237 427 1 2 . 1 1 29 29 SER CA C 29 57.992 57.992 58.101 -0.109 18237 428 1 2 . 1 1 29 29 SER CB C 29 63.605 63.605 64.842 -1.237 18237 429 1 2 . 1 1 29 29 SER H H 29 8.310 8.310 7.546 0.764 18237 430 1 2 . 1 1 30 30 SER N N 30 118.892 118.892 113.209 5.683 18237 431 1 2 . 1 1 30 30 SER HA H 30 4.597 4.597 4.278 0.319 18237 432 1 2 . 1 1 30 30 SER C C 30 175.479 175.479 174.834 0.645 18237 433 1 2 . 1 1 30 30 SER CA C 30 58.582 58.582 59.689 -1.107 18237 434 1 2 . 1 1 30 30 SER CB C 30 63.605 63.605 61.589 2.016 18237 435 1 2 . 1 1 30 30 SER H H 30 8.593 8.593 8.608 -0.015 18237 436 1 2 . 1 1 31 31 GLY N N 31 111.354 111.354 110.313 1.041 18237 437 1 2 . 1 1 31 31 GLY C C 31 174.428 174.428 175.518 -1.090 18237 438 1 2 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.610 -0.154 18237 439 1 2 . 1 1 31 31 GLY H H 31 8.584 8.584 8.088 0.496 18237 440 1 2 . 1 1 32 32 ASN N N 32 119.486 119.486 119.464 0.022 18237 441 1 2 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.636 0.181 18237 442 1 2 . 1 1 32 32 ASN C C 32 175.928 175.928 176.335 -0.407 18237 443 1 2 . 1 1 32 32 ASN CA C 32 53.215 53.215 52.360 0.855 18237 444 1 2 . 1 1 32 32 ASN CB C 32 38.780 38.780 37.701 1.079 18237 445 1 2 . 1 1 32 32 ASN H H 32 8.393 8.393 8.612 -0.219 18237 446 1 2 . 1 1 33 33 GLU N N 33 122.031 122.031 120.732 1.299 18237 447 1 2 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.982 0.289 18237 448 1 2 . 1 1 33 33 GLU CA C 33 57.426 57.426 58.903 -1.477 18237 449 1 2 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.401 -0.073 18237 450 1 2 . 1 1 33 33 GLU H H 33 8.711 8.711 8.556 0.155 18237 451 1 2 . 1 1 34 34 GLN N N 34 120.866 120.866 118.585 2.281 18237 452 1 2 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.021 0.250 18237 453 1 2 . 1 1 34 34 GLN CA C 34 56.226 56.226 59.033 -2.807 18237 454 1 2 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.682 0.157 18237 455 1 2 . 1 1 34 34 GLN H H 34 8.438 8.438 7.540 0.898 18237 456 1 2 . 1 1 35 35 GLU N N 35 122.323 122.323 119.832 2.491 18237 457 1 2 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.181 0.138 18237 458 1 2 . 1 1 35 35 GLU C C 35 177.176 177.176 179.033 -1.857 18237 459 1 2 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.556 -1.560 18237 460 1 2 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.069 0.476 18237 461 1 2 . 1 1 35 35 GLU H H 35 8.424 8.424 7.745 0.679 18237 462 1 2 . 1 1 36 36 LEU N N 36 122.904 122.904 117.862 5.042 18237 463 1 2 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.109 0.210 18237 464 1 2 . 1 1 36 36 LEU CA C 36 55.898 55.898 56.785 -0.887 18237 465 1 2 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.746 -0.250 18237 466 1 2 . 1 1 36 36 LEU H H 36 8.342 8.342 7.462 0.880 18237 467 1 2 . 1 1 38 38 GLU N N 38 121.931 121.931 120.993 0.938 18237 468 1 2 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.089 0.307 18237 469 1 2 . 1 1 38 38 GLU C C 38 177.318 177.318 178.112 -0.794 18237 470 1 2 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.385 -3.019 18237 471 1 2 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.744 -0.416 18237 472 1 2 . 1 1 38 38 GLU H H 38 8.342 8.342 7.916 0.426 18237 473 1 2 . 1 1 39 39 LEU N N 39 123.317 123.317 119.309 4.008 18237 474 1 2 . 1 1 39 39 LEU HA H 39 4.348 4.348 2.174 2.174 18237 475 1 2 . 1 1 39 39 LEU CA C 39 56.833 56.833 58.243 -1.410 18237 476 1 2 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.479 -0.092 18237 477 1 2 . 1 1 39 39 LEU H H 39 8.342 8.342 7.176 1.166 18237 478 1 2 . 1 1 40 40 ASP N N 40 119.726 119.726 115.729 3.997 18237 479 1 2 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.255 0.316 18237 480 1 2 . 1 1 40 40 ASP CA C 40 55.589 55.589 56.897 -1.308 18237 481 1 2 . 1 1 40 40 ASP H H 40 8.530 8.530 8.414 0.116 18237 482 1 2 . 1 1 41 41 LYS N N 41 121.200 121.200 118.849 2.351 18237 483 1 2 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.344 -0.180 18237 484 1 2 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.051 0.169 18237 485 1 2 . 1 1 41 41 LYS H H 41 8.145 8.145 7.806 0.339 18237 486 1 2 . 1 1 42 42 TRP N N 42 120.615 120.615 120.725 -0.110 18237 487 1 2 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.402 0.195 18237 488 1 2 . 1 1 42 42 TRP C C 42 177.641 177.641 178.275 -0.634 18237 489 1 2 . 1 1 42 42 TRP CA C 42 58.561 58.561 58.840 -0.279 18237 490 1 2 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.190 0.649 18237 491 1 2 . 1 1 42 42 TRP H H 42 8.025 8.025 8.412 -0.387 18237 492 1 2 . 1 1 43 43 ALA N N 43 122.056 122.056 120.937 1.119 18237 493 1 2 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.172 -0.032 18237 494 1 2 . 1 1 43 43 ALA C C 43 172.776 172.776 179.992 -7.216 18237 495 1 2 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.221 -0.357 18237 496 1 2 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.960 0.014 18237 497 1 2 . 1 1 43 43 ALA H H 43 8.199 8.199 7.978 0.221 18237 498 1 2 . 1 1 44 44 SER N N 44 113.378 113.378 115.080 -1.702 18237 499 1 2 . 1 1 44 44 SER HA H 44 4.376 4.376 4.238 0.138 18237 500 1 2 . 1 1 44 44 SER C C 44 176.767 176.767 176.909 -0.142 18237 501 1 2 . 1 1 44 44 SER CA C 44 60.980 60.980 62.362 -1.382 18237 502 1 2 . 1 1 44 44 SER CB C 44 62.410 62.410 62.927 -0.517 18237 503 1 2 . 1 1 44 44 SER H H 44 8.210 8.210 8.488 -0.278 18237 504 1 2 . 1 1 45 45 LEU N N 45 123.425 123.425 122.329 1.096 18237 505 1 2 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.177 0.017 18237 506 1 2 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.829 -0.223 18237 507 1 2 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.666 -0.496 18237 508 1 2 . 1 1 45 45 LEU H H 45 7.906 7.906 7.621 0.285 18237 509 1 2 . 1 1 46 46 TRP N N 46 118.572 118.572 117.550 1.022 18237 510 1 2 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.371 0.284 18237 511 1 2 . 1 1 46 46 TRP C C 46 177.838 177.838 179.150 -1.312 18237 512 1 2 . 1 1 46 46 TRP CA C 46 58.907 58.907 60.325 -1.417 18237 513 1 2 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.253 -0.035 18237 514 1 2 . 1 1 46 46 TRP H H 46 8.043 8.043 7.885 0.158 18237 515 1 2 . 1 1 47 47 ASN N N 47 116.564 116.564 117.887 -1.323 18237 516 1 2 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.787 -0.161 18237 517 1 2 . 1 1 47 47 ASN C C 47 176.904 176.904 177.383 -0.479 18237 518 1 2 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.619 -0.574 18237 519 1 2 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.741 -0.178 18237 520 1 2 . 1 1 47 47 ASN H H 47 8.174 8.174 8.736 -0.562 18237 521 1 2 . 1 1 48 48 TRP N N 48 121.421 121.421 121.524 -0.103 18237 522 1 2 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.674 -0.307 18237 523 1 2 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.175 1.342 18237 524 1 2 . 1 1 48 48 TRP CB C 48 28.893 28.893 28.861 0.032 18237 525 1 2 . 1 1 48 48 TRP H H 48 8.145 8.145 8.281 -0.136 18237 526 1 2 . 1 1 49 49 PHE N N 49 118.299 118.299 122.371 -4.072 18237 527 1 2 . 1 1 49 49 PHE HA H 49 4.252 4.252 3.829 0.423 18237 528 1 2 . 1 1 49 49 PHE C C 49 175.565 175.565 174.605 0.960 18237 529 1 2 . 1 1 49 49 PHE CA C 49 58.887 58.887 57.382 1.505 18237 530 1 2 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.536 0.135 18237 531 1 2 . 1 1 49 49 PHE H H 49 8.036 8.036 7.799 0.237 18237 532 1 2 . 1 1 50 50 ASN N N 50 118.836 118.836 119.477 -0.641 18237 533 1 2 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.100 0.526 18237 534 1 2 . 1 1 50 50 ASN C C 50 176.439 176.439 176.791 -0.352 18237 535 1 2 . 1 1 50 50 ASN CA C 50 53.215 53.215 55.087 -1.872 18237 536 1 2 . 1 1 50 50 ASN CB C 50 38.128 38.128 38.323 -0.195 18237 537 1 2 . 1 1 50 50 ASN H H 50 7.795 7.795 7.660 0.135 18237 538 1 2 . 1 1 51 51 ILE N N 51 120.218 120.218 116.462 3.756 18237 539 1 2 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.810 -0.019 18237 540 1 2 . 1 1 51 51 ILE C C 51 177.202 177.202 176.954 0.248 18237 541 1 2 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.936 -1.835 18237 542 1 2 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.193 0.174 18237 543 1 2 . 1 1 51 51 ILE H H 51 8.147 8.147 7.011 1.136 18237 544 1 2 . 1 1 52 52 THR N N 52 115.352 115.352 112.787 2.565 18237 545 1 2 . 1 1 52 52 THR HA H 52 4.031 4.031 3.998 0.033 18237 546 1 2 . 1 1 52 52 THR C C 52 176.095 176.095 176.513 -0.418 18237 547 1 2 . 1 1 52 52 THR CA C 52 65.148 65.148 65.201 -0.053 18237 548 1 2 . 1 1 52 52 THR CB C 52 68.277 68.277 67.591 0.686 18237 549 1 2 . 1 1 52 52 THR H H 52 8.009 8.009 7.199 0.810 18237 550 1 2 . 1 1 53 53 ASN N N 53 119.874 119.874 121.261 -1.387 18237 551 1 2 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.251 0.385 18237 552 1 2 . 1 1 53 53 ASN C C 53 176.530 176.530 176.977 -0.447 18237 553 1 2 . 1 1 53 53 ASN CA C 53 54.457 54.457 55.672 -1.215 18237 554 1 2 . 1 1 53 53 ASN CB C 53 37.802 37.802 37.672 0.130 18237 555 1 2 . 1 1 53 53 ASN H H 53 7.972 7.972 7.051 0.921 18237 556 1 2 . 1 1 54 54 TRP N N 54 120.192 120.192 120.174 0.018 18237 557 1 2 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.499 0.156 18237 558 1 2 . 1 1 54 54 TRP CA C 54 58.643 58.643 59.044 -0.401 18237 559 1 2 . 1 1 54 54 TRP CB C 54 29.165 29.165 29.220 -0.055 18237 560 1 2 . 1 1 54 54 TRP H H 54 7.897 7.897 7.397 0.500 18237 561 1 2 . 1 1 55 55 LEU N N 55 118.354 118.354 122.200 -3.846 18237 562 1 2 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.977 0.111 18237 563 1 2 . 1 1 55 55 LEU C C 55 177.975 177.975 178.993 -1.018 18237 564 1 2 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.344 -1.874 18237 565 1 2 . 1 1 55 55 LEU CB C 55 40.898 40.898 42.118 -1.220 18237 566 1 2 . 1 1 55 55 LEU H H 55 7.931 7.931 8.227 -0.296 18237 567 1 2 . 1 1 56 56 TRP N N 56 118.335 118.335 117.438 0.897 18237 568 1 2 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.339 0.028 18237 569 1 2 . 1 1 56 56 TRP C C 56 176.863 176.863 178.378 -1.515 18237 570 1 2 . 1 1 56 56 TRP CA C 56 59.070 59.070 61.072 -2.002 18237 571 1 2 . 1 1 56 56 TRP CB C 56 28.839 28.839 28.861 -0.022 18237 572 1 2 . 1 1 56 56 TRP H H 56 7.665 7.665 7.863 -0.198 18237 573 1 2 . 1 1 57 57 TYR N N 57 116.808 116.808 118.501 -1.693 18237 574 1 2 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.407 -0.235 18237 575 1 2 . 1 1 57 57 TYR C C 57 176.085 176.085 176.702 -0.617 18237 576 1 2 . 1 1 57 57 TYR CA C 57 59.865 59.865 61.071 -1.206 18237 577 1 2 . 1 1 57 57 TYR CB C 57 38.563 38.563 38.868 -0.305 18237 578 1 2 . 1 1 57 57 TYR H H 57 7.578 7.578 7.424 0.154 18237 579 1 2 . 1 1 58 58 ILE N N 58 115.526 115.526 118.197 -2.671 18237 580 1 2 . 1 1 58 58 ILE HA H 58 4.265 4.265 4.161 0.104 18237 581 1 2 . 1 1 58 58 ILE C C 58 174.782 174.782 175.380 -0.598 18237 582 1 2 . 1 1 58 58 ILE CA C 58 60.940 60.940 60.911 0.029 18237 583 1 2 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.667 -0.485 18237 584 1 2 . 1 1 58 58 ILE H H 58 7.586 7.586 8.156 -0.570 18237 585 1 3 . 1 1 2 2 TYR N N 2 120.470 120.470 120.505 -0.035 18237 586 1 3 . 1 1 2 2 TYR C C 2 176.535 176.535 176.158 0.377 18237 587 1 3 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.928 -1.933 18237 588 1 3 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.391 -2.078 18237 589 1 3 . 1 1 2 2 TYR H H 2 7.951 7.951 8.304 -0.353 18237 590 1 3 . 1 1 3 3 ILE N N 3 118.307 118.307 119.550 -1.243 18237 591 1 3 . 1 1 3 3 ILE CA C 3 58.968 58.968 60.896 -1.928 18237 592 1 3 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.566 1.508 18237 593 1 3 . 1 1 3 3 ILE H H 3 8.381 8.381 8.462 -0.081 18237 594 1 3 . 1 1 5 5 GLU N N 5 118.785 118.785 119.306 -0.521 18237 595 1 3 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.165 0.090 18237 596 1 3 . 1 1 5 5 GLU C C 5 176.267 176.267 175.928 0.339 18237 597 1 3 . 1 1 5 5 GLU CA C 5 55.959 55.959 57.157 -1.198 18237 598 1 3 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.097 -0.063 18237 599 1 3 . 1 1 5 5 GLU H H 5 7.710 7.710 8.535 -0.825 18237 600 1 3 . 1 1 6 6 ALA N N 6 131.546 131.546 120.232 11.314 18237 601 1 3 . 1 1 6 6 ALA HA H 6 3.575 3.575 3.476 0.099 18237 602 1 3 . 1 1 6 6 ALA CA C 6 50.959 50.959 50.400 0.559 18237 603 1 3 . 1 1 6 6 ALA CB C 6 14.389 14.389 19.551 -5.162 18237 604 1 3 . 1 1 6 6 ALA H H 6 8.338 8.338 7.782 0.556 18237 605 1 3 . 1 1 8 8 ARG N N 8 126.915 126.915 124.779 2.136 18237 606 1 3 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.490 -0.420 18237 607 1 3 . 1 1 8 8 ARG C C 8 175.110 175.110 175.135 -0.025 18237 608 1 3 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.900 -1.200 18237 609 1 3 . 1 1 8 8 ARG CB C 8 28.078 28.078 30.259 -2.182 18237 610 1 3 . 1 1 8 8 ARG H H 8 8.725 8.725 8.452 0.273 18237 611 1 3 . 1 1 9 9 ASP N N 9 123.653 123.653 126.705 -3.052 18237 612 1 3 . 1 1 9 9 ASP C C 9 178.015 178.015 176.608 1.407 18237 613 1 3 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.462 -1.715 18237 614 1 3 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.223 -0.379 18237 615 1 3 . 1 1 9 9 ASP H H 9 8.432 8.432 8.814 -0.382 18237 616 1 3 . 1 1 10 10 GLY N N 10 111.908 111.908 108.250 3.658 18237 617 1 3 . 1 1 10 10 GLY C C 10 174.822 174.822 174.512 0.310 18237 618 1 3 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.125 0.119 18237 619 1 3 . 1 1 10 10 GLY H H 10 9.727 9.727 8.645 1.082 18237 620 1 3 . 1 1 11 11 GLN N N 11 118.395 118.395 118.517 -0.122 18237 621 1 3 . 1 1 11 11 GLN C C 11 174.711 174.711 174.371 0.340 18237 622 1 3 . 1 1 11 11 GLN CA C 11 53.398 53.398 54.840 -1.442 18237 623 1 3 . 1 1 11 11 GLN CB C 11 30.306 30.306 29.602 0.705 18237 624 1 3 . 1 1 11 11 GLN H H 11 8.416 8.416 7.794 0.622 18237 625 1 3 . 1 1 12 12 ALA N N 12 121.020 121.020 123.008 -1.988 18237 626 1 3 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.656 0.287 18237 627 1 3 . 1 1 12 12 ALA C C 12 177.990 177.990 175.326 2.664 18237 628 1 3 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.303 -0.792 18237 629 1 3 . 1 1 12 12 ALA CB C 12 20.147 20.147 21.208 -1.061 18237 630 1 3 . 1 1 12 12 ALA H H 12 7.933 7.933 8.151 -0.218 18237 631 1 3 . 1 1 13 13 TYR N N 13 121.755 121.755 119.722 2.033 18237 632 1 3 . 1 1 13 13 TYR C C 13 175.519 175.519 175.078 0.441 18237 633 1 3 . 1 1 13 13 TYR CA C 13 59.090 59.090 57.286 1.804 18237 634 1 3 . 1 1 13 13 TYR CB C 13 43.180 43.180 41.843 1.337 18237 635 1 3 . 1 1 13 13 TYR H H 13 9.575 9.575 8.538 1.037 18237 636 1 3 . 1 1 14 14 VAL N N 14 112.251 112.251 121.206 -8.955 18237 637 1 3 . 1 1 14 14 VAL C C 14 174.074 174.074 175.259 -1.185 18237 638 1 3 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.419 -0.329 18237 639 1 3 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.354 -2.604 18237 640 1 3 . 1 1 14 14 VAL H H 14 9.659 9.659 9.019 0.640 18237 641 1 3 . 1 1 15 15 ARG N N 15 124.657 124.657 123.668 0.989 18237 642 1 3 . 1 1 15 15 ARG C C 15 174.948 174.948 175.158 -0.210 18237 643 1 3 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.856 -2.336 18237 644 1 3 . 1 1 15 15 ARG CB C 15 32.533 32.533 29.948 2.585 18237 645 1 3 . 1 1 15 15 ARG H H 15 8.503 8.503 8.565 -0.062 18237 646 1 3 . 1 1 16 16 LYS N N 16 128.240 128.240 126.705 1.535 18237 647 1 3 . 1 1 16 16 LYS C C 16 175.974 175.974 175.383 0.591 18237 648 1 3 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.681 0.095 18237 649 1 3 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.071 1.482 18237 650 1 3 . 1 1 16 16 LYS H H 16 9.052 9.052 8.641 0.411 18237 651 1 3 . 1 1 17 17 ASP N N 17 130.562 130.562 127.075 3.487 18237 652 1 3 . 1 1 17 17 ASP C C 17 175.822 175.822 176.349 -0.527 18237 653 1 3 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.781 1.666 18237 654 1 3 . 1 1 17 17 ASP CB C 17 40.192 40.192 39.506 0.686 18237 655 1 3 . 1 1 17 17 ASP H H 17 10.886 10.886 9.140 1.746 18237 656 1 3 . 1 1 18 18 GLY N N 18 104.754 104.754 104.575 0.179 18237 657 1 3 . 1 1 18 18 GLY C C 18 173.104 173.104 173.235 -0.131 18237 658 1 3 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.187 0.057 18237 659 1 3 . 1 1 18 18 GLY H H 18 9.353 9.353 8.376 0.977 18237 660 1 3 . 1 1 19 19 GLU N N 19 117.501 117.501 117.745 -0.244 18237 661 1 3 . 1 1 19 19 GLU HA H 19 4.648 4.648 3.815 0.833 18237 662 1 3 . 1 1 19 19 GLU C C 19 176.166 176.166 174.634 1.532 18237 663 1 3 . 1 1 19 19 GLU CA C 19 53.865 53.865 53.371 0.494 18237 664 1 3 . 1 1 19 19 GLU CB C 19 33.130 33.130 32.806 0.324 18237 665 1 3 . 1 1 19 19 GLU H H 19 7.813 7.813 8.206 -0.393 18237 666 1 3 . 1 1 20 20 TRP N N 20 122.768 122.768 122.938 -0.170 18237 667 1 3 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.584 -0.917 18237 668 1 3 . 1 1 20 20 TRP C C 20 176.302 176.302 175.813 0.489 18237 669 1 3 . 1 1 20 20 TRP CA C 20 55.878 55.878 55.346 0.531 18237 670 1 3 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.353 0.192 18237 671 1 3 . 1 1 20 20 TRP H H 20 9.094 9.094 7.303 1.791 18237 672 1 3 . 1 1 21 21 VAL N N 21 123.071 123.071 123.986 -0.915 18237 673 1 3 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.504 0.481 18237 674 1 3 . 1 1 21 21 VAL C C 21 175.640 175.640 175.871 -0.231 18237 675 1 3 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.592 -1.055 18237 676 1 3 . 1 1 21 21 VAL CB C 21 34.651 34.651 35.421 -0.770 18237 677 1 3 . 1 1 21 21 VAL H H 21 9.868 9.868 8.296 1.572 18237 678 1 3 . 1 1 22 22 LEU N N 22 127.193 127.193 128.715 -1.522 18237 679 1 3 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.253 0.169 18237 680 1 3 . 1 1 22 22 LEU C C 22 179.268 179.268 178.983 0.285 18237 681 1 3 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.408 0.226 18237 682 1 3 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.182 0.097 18237 683 1 3 . 1 1 22 22 LEU H H 22 8.812 8.812 9.071 -0.259 18237 684 1 3 . 1 1 23 23 LEU N N 23 126.386 126.386 124.686 1.700 18237 685 1 3 . 1 1 23 23 LEU C C 23 178.844 178.844 178.633 0.211 18237 686 1 3 . 1 1 23 23 LEU CA C 23 57.403 57.403 57.845 -0.442 18237 687 1 3 . 1 1 23 23 LEU CB C 23 41.061 41.061 41.366 -0.305 18237 688 1 3 . 1 1 23 23 LEU H H 23 8.562 8.562 8.131 0.431 18237 689 1 3 . 1 1 24 24 SER N N 24 113.100 113.100 116.337 -3.237 18237 690 1 3 . 1 1 24 24 SER HA H 24 4.621 4.621 4.115 0.506 18237 691 1 3 . 1 1 24 24 SER C C 24 176.676 176.676 176.396 0.280 18237 692 1 3 . 1 1 24 24 SER CA C 24 60.960 60.960 61.898 -0.938 18237 693 1 3 . 1 1 24 24 SER CB C 24 61.650 61.650 62.432 -0.782 18237 694 1 3 . 1 1 24 24 SER H H 24 9.098 9.098 8.596 0.502 18237 695 1 3 . 1 1 25 25 THR N N 25 116.715 116.715 115.182 1.533 18237 696 1 3 . 1 1 25 25 THR HA H 25 3.915 3.915 4.135 -0.220 18237 697 1 3 . 1 1 25 25 THR CA C 25 64.599 64.599 64.919 -0.320 18237 698 1 3 . 1 1 25 25 THR CB C 25 68.657 68.657 68.590 0.067 18237 699 1 3 . 1 1 25 25 THR H H 25 7.238 7.238 8.136 -0.898 18237 700 1 3 . 1 1 26 26 PHE N N 26 118.488 118.488 120.136 -1.648 18237 701 1 3 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.441 -0.331 18237 702 1 3 . 1 1 26 26 PHE C C 26 176.181 176.181 176.637 -0.456 18237 703 1 3 . 1 1 26 26 PHE CA C 26 58.627 58.627 60.333 -1.706 18237 704 1 3 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.799 -0.006 18237 705 1 3 . 1 1 26 26 PHE H H 26 7.945 7.945 8.562 -0.617 18237 706 1 3 . 1 1 27 27 LEU N N 27 118.525 118.525 119.759 -1.234 18237 707 1 3 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.276 0.247 18237 708 1 3 . 1 1 27 27 LEU C C 27 177.752 177.752 178.035 -0.283 18237 709 1 3 . 1 1 27 27 LEU CA C 27 54.679 54.679 56.110 -1.431 18237 710 1 3 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.456 -1.123 18237 711 1 3 . 1 1 27 27 LEU H H 27 7.290 7.290 7.681 -0.391 18237 712 1 3 . 1 1 28 28 GLY N N 28 108.823 108.823 105.178 3.645 18237 713 1 3 . 1 1 28 28 GLY C C 28 174.630 174.630 174.510 0.120 18237 714 1 3 . 1 1 28 28 GLY CA C 28 45.374 45.374 45.225 0.149 18237 715 1 3 . 1 1 28 28 GLY H H 28 8.242 8.242 7.858 0.384 18237 716 1 3 . 1 1 29 29 SER N N 29 116.210 116.210 115.393 0.817 18237 717 1 3 . 1 1 29 29 SER HA H 29 4.626 4.626 4.657 -0.031 18237 718 1 3 . 1 1 29 29 SER C C 29 175.312 175.312 175.573 -0.261 18237 719 1 3 . 1 1 29 29 SER CA C 29 57.992 57.992 58.575 -0.583 18237 720 1 3 . 1 1 29 29 SER CB C 29 63.605 63.605 63.954 -0.349 18237 721 1 3 . 1 1 29 29 SER H H 29 8.310 8.310 7.747 0.563 18237 722 1 3 . 1 1 30 30 SER N N 30 118.892 118.892 114.861 4.031 18237 723 1 3 . 1 1 30 30 SER HA H 30 4.597 4.597 4.239 0.357 18237 724 1 3 . 1 1 30 30 SER C C 30 175.479 175.479 174.986 0.493 18237 725 1 3 . 1 1 30 30 SER CA C 30 58.582 58.582 59.980 -1.398 18237 726 1 3 . 1 1 30 30 SER CB C 30 63.605 63.605 62.095 1.510 18237 727 1 3 . 1 1 30 30 SER H H 30 8.593 8.593 8.851 -0.258 18237 728 1 3 . 1 1 31 31 GLY N N 31 111.354 111.354 108.631 2.723 18237 729 1 3 . 1 1 31 31 GLY C C 31 174.428 174.428 175.044 -0.616 18237 730 1 3 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.598 -0.142 18237 731 1 3 . 1 1 31 31 GLY H H 31 8.584 8.584 7.840 0.744 18237 732 1 3 . 1 1 32 32 ASN N N 32 119.486 119.486 118.037 1.449 18237 733 1 3 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.644 0.173 18237 734 1 3 . 1 1 32 32 ASN C C 32 175.928 175.928 176.244 -0.316 18237 735 1 3 . 1 1 32 32 ASN CA C 32 53.215 53.215 52.432 0.783 18237 736 1 3 . 1 1 32 32 ASN CB C 32 38.780 38.780 37.606 1.174 18237 737 1 3 . 1 1 32 32 ASN H H 32 8.393 8.393 8.777 -0.384 18237 738 1 3 . 1 1 33 33 GLU N N 33 122.031 122.031 120.296 1.735 18237 739 1 3 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.965 0.306 18237 740 1 3 . 1 1 33 33 GLU CA C 33 57.426 57.426 58.920 -1.494 18237 741 1 3 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.364 -0.036 18237 742 1 3 . 1 1 33 33 GLU H H 33 8.711 8.711 8.589 0.122 18237 743 1 3 . 1 1 34 34 GLN N N 34 120.866 120.866 117.770 3.096 18237 744 1 3 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.027 0.244 18237 745 1 3 . 1 1 34 34 GLN CA C 34 56.226 56.226 58.757 -2.531 18237 746 1 3 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.718 0.121 18237 747 1 3 . 1 1 34 34 GLN H H 34 8.438 8.438 7.614 0.824 18237 748 1 3 . 1 1 35 35 GLU N N 35 122.323 122.323 119.692 2.631 18237 749 1 3 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.159 0.160 18237 750 1 3 . 1 1 35 35 GLU C C 35 177.176 177.176 178.852 -1.676 18237 751 1 3 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.750 -1.754 18237 752 1 3 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.582 -0.037 18237 753 1 3 . 1 1 35 35 GLU H H 35 8.424 8.424 7.700 0.724 18237 754 1 3 . 1 1 36 36 LEU N N 36 122.904 122.904 117.346 5.558 18237 755 1 3 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.094 0.225 18237 756 1 3 . 1 1 36 36 LEU CA C 36 55.898 55.898 56.707 -0.809 18237 757 1 3 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.813 -0.318 18237 758 1 3 . 1 1 36 36 LEU H H 36 8.342 8.342 7.407 0.935 18237 759 1 3 . 1 1 38 38 GLU N N 38 121.931 121.931 121.515 0.416 18237 760 1 3 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.120 0.276 18237 761 1 3 . 1 1 38 38 GLU C C 38 177.318 177.318 178.281 -0.963 18237 762 1 3 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.614 -3.248 18237 763 1 3 . 1 1 38 38 GLU CB C 38 29.328 29.328 30.150 -0.822 18237 764 1 3 . 1 1 38 38 GLU H H 38 8.342 8.342 7.722 0.620 18237 765 1 3 . 1 1 39 39 LEU N N 39 123.317 123.317 119.529 3.788 18237 766 1 3 . 1 1 39 39 LEU HA H 39 4.348 4.348 2.235 2.113 18237 767 1 3 . 1 1 39 39 LEU CA C 39 56.833 56.833 57.818 -0.985 18237 768 1 3 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.435 -0.049 18237 769 1 3 . 1 1 39 39 LEU H H 39 8.342 8.342 7.043 1.299 18237 770 1 3 . 1 1 40 40 ASP N N 40 119.726 119.726 116.027 3.699 18237 771 1 3 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.283 0.288 18237 772 1 3 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.246 -1.657 18237 773 1 3 . 1 1 40 40 ASP H H 40 8.530 8.530 8.439 0.091 18237 774 1 3 . 1 1 41 41 LYS N N 41 121.200 121.200 119.028 2.172 18237 775 1 3 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.329 -0.165 18237 776 1 3 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.322 -0.102 18237 777 1 3 . 1 1 41 41 LYS H H 41 8.145 8.145 7.790 0.355 18237 778 1 3 . 1 1 42 42 TRP N N 42 120.615 120.615 120.977 -0.362 18237 779 1 3 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.500 0.097 18237 780 1 3 . 1 1 42 42 TRP C C 42 177.641 177.641 178.409 -0.768 18237 781 1 3 . 1 1 42 42 TRP CA C 42 58.561 58.561 59.013 -0.452 18237 782 1 3 . 1 1 42 42 TRP CB C 42 28.839 28.839 27.864 0.975 18237 783 1 3 . 1 1 42 42 TRP H H 42 8.025 8.025 8.377 -0.352 18237 784 1 3 . 1 1 43 43 ALA N N 43 122.056 122.056 120.587 1.469 18237 785 1 3 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.103 0.037 18237 786 1 3 . 1 1 43 43 ALA C C 43 172.776 172.776 179.577 -6.801 18237 787 1 3 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.267 -0.403 18237 788 1 3 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.886 0.088 18237 789 1 3 . 1 1 43 43 ALA H H 43 8.199 8.199 8.007 0.192 18237 790 1 3 . 1 1 44 44 SER N N 44 113.378 113.378 115.176 -1.798 18237 791 1 3 . 1 1 44 44 SER HA H 44 4.376 4.376 4.304 0.072 18237 792 1 3 . 1 1 44 44 SER C C 44 176.767 176.767 176.808 -0.041 18237 793 1 3 . 1 1 44 44 SER CA C 44 60.980 60.980 61.789 -0.810 18237 794 1 3 . 1 1 44 44 SER CB C 44 62.410 62.410 62.696 -0.286 18237 795 1 3 . 1 1 44 44 SER H H 44 8.210 8.210 8.371 -0.161 18237 796 1 3 . 1 1 45 45 LEU N N 45 123.425 123.425 122.924 0.501 18237 797 1 3 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.268 -0.074 18237 798 1 3 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.871 -0.265 18237 799 1 3 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.818 -0.648 18237 800 1 3 . 1 1 45 45 LEU H H 45 7.906 7.906 7.554 0.352 18237 801 1 3 . 1 1 46 46 TRP N N 46 118.572 118.572 118.515 0.057 18237 802 1 3 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.335 0.320 18237 803 1 3 . 1 1 46 46 TRP C C 46 177.838 177.838 179.142 -1.304 18237 804 1 3 . 1 1 46 46 TRP CA C 46 58.907 58.907 61.164 -2.257 18237 805 1 3 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.067 0.152 18237 806 1 3 . 1 1 46 46 TRP H H 46 8.043 8.043 8.039 0.004 18237 807 1 3 . 1 1 47 47 ASN N N 47 116.564 116.564 117.869 -1.305 18237 808 1 3 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.752 -0.126 18237 809 1 3 . 1 1 47 47 ASN C C 47 176.904 176.904 177.385 -0.481 18237 810 1 3 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.753 -0.708 18237 811 1 3 . 1 1 47 47 ASN CB C 47 38.563 38.563 39.100 -0.537 18237 812 1 3 . 1 1 47 47 ASN H H 47 8.174 8.174 8.780 -0.606 18237 813 1 3 . 1 1 48 48 TRP N N 48 121.421 121.421 121.363 0.058 18237 814 1 3 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.670 -0.303 18237 815 1 3 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.098 1.419 18237 816 1 3 . 1 1 48 48 TRP CB C 48 28.893 28.893 29.531 -0.638 18237 817 1 3 . 1 1 48 48 TRP H H 48 8.145 8.145 8.172 -0.027 18237 818 1 3 . 1 1 49 49 PHE N N 49 118.299 118.299 121.056 -2.757 18237 819 1 3 . 1 1 49 49 PHE HA H 49 4.252 4.252 3.728 0.524 18237 820 1 3 . 1 1 49 49 PHE C C 49 175.565 175.565 175.400 0.165 18237 821 1 3 . 1 1 49 49 PHE CA C 49 58.887 58.887 58.043 0.844 18237 822 1 3 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.593 0.078 18237 823 1 3 . 1 1 49 49 PHE H H 49 8.036 8.036 7.716 0.320 18237 824 1 3 . 1 1 50 50 ASN N N 50 118.836 118.836 119.323 -0.487 18237 825 1 3 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.177 0.449 18237 826 1 3 . 1 1 50 50 ASN C C 50 176.439 176.439 176.353 0.086 18237 827 1 3 . 1 1 50 50 ASN CA C 50 53.215 53.215 54.755 -1.540 18237 828 1 3 . 1 1 50 50 ASN CB C 50 38.128 38.128 37.886 0.242 18237 829 1 3 . 1 1 50 50 ASN H H 50 7.795 7.795 7.640 0.155 18237 830 1 3 . 1 1 51 51 ILE N N 51 120.218 120.218 115.546 4.672 18237 831 1 3 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.909 -0.118 18237 832 1 3 . 1 1 51 51 ILE C C 51 177.202 177.202 177.159 0.043 18237 833 1 3 . 1 1 51 51 ILE CA C 51 63.102 63.102 65.039 -1.937 18237 834 1 3 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.069 0.298 18237 835 1 3 . 1 1 51 51 ILE H H 51 8.147 8.147 6.998 1.149 18237 836 1 3 . 1 1 52 52 THR N N 52 115.352 115.352 112.797 2.555 18237 837 1 3 . 1 1 52 52 THR HA H 52 4.031 4.031 4.008 0.023 18237 838 1 3 . 1 1 52 52 THR C C 52 176.095 176.095 176.596 -0.501 18237 839 1 3 . 1 1 52 52 THR CA C 52 65.148 65.148 65.324 -0.176 18237 840 1 3 . 1 1 52 52 THR CB C 52 68.277 68.277 68.162 0.115 18237 841 1 3 . 1 1 52 52 THR H H 52 8.009 8.009 7.423 0.586 18237 842 1 3 . 1 1 53 53 ASN N N 53 119.874 119.874 121.304 -1.430 18237 843 1 3 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.243 0.393 18237 844 1 3 . 1 1 53 53 ASN C C 53 176.530 176.530 177.024 -0.494 18237 845 1 3 . 1 1 53 53 ASN CA C 53 54.457 54.457 56.103 -1.646 18237 846 1 3 . 1 1 53 53 ASN CB C 53 37.802 37.802 37.974 -0.172 18237 847 1 3 . 1 1 53 53 ASN H H 53 7.972 7.972 7.122 0.850 18237 848 1 3 . 1 1 54 54 TRP N N 54 120.192 120.192 119.395 0.797 18237 849 1 3 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.583 0.072 18237 850 1 3 . 1 1 54 54 TRP CA C 54 58.643 58.643 58.180 0.463 18237 851 1 3 . 1 1 54 54 TRP CB C 54 29.165 29.165 29.341 -0.176 18237 852 1 3 . 1 1 54 54 TRP H H 54 7.897 7.897 7.340 0.557 18237 853 1 3 . 1 1 55 55 LEU N N 55 118.354 118.354 121.838 -3.484 18237 854 1 3 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.882 0.206 18237 855 1 3 . 1 1 55 55 LEU C C 55 177.975 177.975 178.570 -0.595 18237 856 1 3 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.525 -2.055 18237 857 1 3 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.941 -1.043 18237 858 1 3 . 1 1 55 55 LEU H H 55 7.931 7.931 7.852 0.079 18237 859 1 3 . 1 1 56 56 TRP N N 56 118.335 118.335 116.794 1.541 18237 860 1 3 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.351 0.016 18237 861 1 3 . 1 1 56 56 TRP C C 56 176.863 176.863 178.269 -1.406 18237 862 1 3 . 1 1 56 56 TRP CA C 56 59.070 59.070 61.044 -1.974 18237 863 1 3 . 1 1 56 56 TRP CB C 56 28.839 28.839 28.978 -0.139 18237 864 1 3 . 1 1 56 56 TRP H H 56 7.665 7.665 7.951 -0.286 18237 865 1 3 . 1 1 57 57 TYR N N 57 116.808 116.808 119.912 -3.104 18237 866 1 3 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.392 -0.220 18237 867 1 3 . 1 1 57 57 TYR C C 57 176.085 176.085 177.194 -1.109 18237 868 1 3 . 1 1 57 57 TYR CA C 57 59.865 59.865 61.189 -1.324 18237 869 1 3 . 1 1 57 57 TYR CB C 57 38.563 38.563 39.292 -0.729 18237 870 1 3 . 1 1 57 57 TYR H H 57 7.578 7.578 7.924 -0.346 18237 871 1 3 . 1 1 58 58 ILE N N 58 115.526 115.526 112.642 2.884 18237 872 1 3 . 1 1 58 58 ILE HA H 58 4.265 4.265 4.392 -0.127 18237 873 1 3 . 1 1 58 58 ILE C C 58 174.782 174.782 175.809 -1.027 18237 874 1 3 . 1 1 58 58 ILE CA C 58 60.940 60.940 61.680 -0.740 18237 875 1 3 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.590 -0.408 18237 876 1 3 . 1 1 58 58 ILE H H 58 7.586 7.586 7.954 -0.368 18237 877 1 4 . 1 1 2 2 TYR N N 2 120.470 120.470 120.794 -0.324 18237 878 1 4 . 1 1 2 2 TYR C C 2 176.535 176.535 175.258 1.277 18237 879 1 4 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.685 -1.690 18237 880 1 4 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.718 -2.405 18237 881 1 4 . 1 1 2 2 TYR H H 2 7.951 7.951 7.869 0.082 18237 882 1 4 . 1 1 3 3 ILE N N 3 118.307 118.307 121.830 -3.523 18237 883 1 4 . 1 1 3 3 ILE CA C 3 58.968 58.968 59.255 -0.287 18237 884 1 4 . 1 1 3 3 ILE CB C 3 38.074 38.074 37.897 0.177 18237 885 1 4 . 1 1 3 3 ILE H H 3 8.381 8.381 8.295 0.086 18237 886 1 4 . 1 1 5 5 GLU N N 5 118.785 118.785 123.259 -4.474 18237 887 1 4 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.110 0.145 18237 888 1 4 . 1 1 5 5 GLU C C 5 176.267 176.267 176.267 0.000 18237 889 1 4 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.514 -0.555 18237 890 1 4 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.519 -0.485 18237 891 1 4 . 1 1 5 5 GLU H H 5 7.710 7.710 8.554 -0.844 18237 892 1 4 . 1 1 6 6 ALA N N 6 131.546 131.546 119.002 12.544 18237 893 1 4 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.257 -0.682 18237 894 1 4 . 1 1 6 6 ALA CA C 6 50.959 50.959 52.188 -1.229 18237 895 1 4 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.170 -2.781 18237 896 1 4 . 1 1 6 6 ALA H H 6 8.338 8.338 8.170 0.168 18237 897 1 4 . 1 1 8 8 ARG N N 8 126.915 126.915 121.557 5.358 18237 898 1 4 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.364 -0.294 18237 899 1 4 . 1 1 8 8 ARG C C 8 175.110 175.110 175.114 -0.004 18237 900 1 4 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.890 -1.191 18237 901 1 4 . 1 1 8 8 ARG CB C 8 28.078 28.078 29.689 -1.611 18237 902 1 4 . 1 1 8 8 ARG H H 8 8.725 8.725 8.427 0.298 18237 903 1 4 . 1 1 9 9 ASP N N 9 123.653 123.653 122.751 0.902 18237 904 1 4 . 1 1 9 9 ASP C C 9 178.015 178.015 176.896 1.119 18237 905 1 4 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.278 -1.531 18237 906 1 4 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.237 -0.393 18237 907 1 4 . 1 1 9 9 ASP H H 9 8.432 8.432 8.181 0.251 18237 908 1 4 . 1 1 10 10 GLY N N 10 111.908 111.908 108.076 3.832 18237 909 1 4 . 1 1 10 10 GLY C C 10 174.822 174.822 174.661 0.161 18237 910 1 4 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.435 -0.191 18237 911 1 4 . 1 1 10 10 GLY H H 10 9.727 9.727 8.607 1.120 18237 912 1 4 . 1 1 11 11 GLN N N 11 118.395 118.395 118.667 -0.272 18237 913 1 4 . 1 1 11 11 GLN C C 11 174.711 174.711 174.669 0.042 18237 914 1 4 . 1 1 11 11 GLN CA C 11 53.398 53.398 54.976 -1.578 18237 915 1 4 . 1 1 11 11 GLN CB C 11 30.306 30.306 29.707 0.599 18237 916 1 4 . 1 1 11 11 GLN H H 11 8.416 8.416 7.845 0.571 18237 917 1 4 . 1 1 12 12 ALA N N 12 121.020 121.020 123.259 -2.239 18237 918 1 4 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.667 0.276 18237 919 1 4 . 1 1 12 12 ALA C C 12 177.990 177.990 175.378 2.612 18237 920 1 4 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.336 -0.825 18237 921 1 4 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.965 -0.818 18237 922 1 4 . 1 1 12 12 ALA H H 12 7.933 7.933 8.150 -0.217 18237 923 1 4 . 1 1 13 13 TYR N N 13 121.755 121.755 119.917 1.838 18237 924 1 4 . 1 1 13 13 TYR C C 13 175.519 175.519 174.218 1.301 18237 925 1 4 . 1 1 13 13 TYR CA C 13 59.090 59.090 57.458 1.632 18237 926 1 4 . 1 1 13 13 TYR CB C 13 43.180 43.180 41.944 1.236 18237 927 1 4 . 1 1 13 13 TYR H H 13 9.575 9.575 8.578 0.997 18237 928 1 4 . 1 1 14 14 VAL N N 14 112.251 112.251 120.141 -7.890 18237 929 1 4 . 1 1 14 14 VAL C C 14 174.074 174.074 175.036 -0.962 18237 930 1 4 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.236 -0.146 18237 931 1 4 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.477 -2.728 18237 932 1 4 . 1 1 14 14 VAL H H 14 9.659 9.659 8.436 1.223 18237 933 1 4 . 1 1 15 15 ARG N N 15 124.657 124.657 122.542 2.115 18237 934 1 4 . 1 1 15 15 ARG C C 15 174.948 174.948 175.276 -0.328 18237 935 1 4 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.976 -2.456 18237 936 1 4 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.190 2.343 18237 937 1 4 . 1 1 15 15 ARG H H 15 8.503 8.503 8.557 -0.054 18237 938 1 4 . 1 1 16 16 LYS N N 16 128.240 128.240 125.519 2.721 18237 939 1 4 . 1 1 16 16 LYS C C 16 175.974 175.974 175.219 0.755 18237 940 1 4 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.676 0.100 18237 941 1 4 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.160 1.393 18237 942 1 4 . 1 1 16 16 LYS H H 16 9.052 9.052 8.327 0.725 18237 943 1 4 . 1 1 17 17 ASP N N 17 130.562 130.562 125.327 5.235 18237 944 1 4 . 1 1 17 17 ASP C C 17 175.822 175.822 175.824 -0.002 18237 945 1 4 . 1 1 17 17 ASP CA C 17 56.447 56.447 55.204 1.243 18237 946 1 4 . 1 1 17 17 ASP CB C 17 40.192 40.192 39.033 1.159 18237 947 1 4 . 1 1 17 17 ASP H H 17 10.886 10.886 9.130 1.756 18237 948 1 4 . 1 1 18 18 GLY N N 18 104.754 104.754 105.047 -0.293 18237 949 1 4 . 1 1 18 18 GLY C C 18 173.104 173.104 173.821 -0.717 18237 950 1 4 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.467 -0.223 18237 951 1 4 . 1 1 18 18 GLY H H 18 9.353 9.353 8.210 1.143 18237 952 1 4 . 1 1 19 19 GLU N N 19 117.501 117.501 117.782 -0.281 18237 953 1 4 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.385 0.263 18237 954 1 4 . 1 1 19 19 GLU C C 19 176.166 176.166 174.739 1.427 18237 955 1 4 . 1 1 19 19 GLU CA C 19 53.865 53.865 54.115 -0.250 18237 956 1 4 . 1 1 19 19 GLU CB C 19 33.130 33.130 34.196 -1.066 18237 957 1 4 . 1 1 19 19 GLU H H 19 7.813 7.813 8.053 -0.240 18237 958 1 4 . 1 1 20 20 TRP N N 20 122.768 122.768 122.244 0.524 18237 959 1 4 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.342 -0.675 18237 960 1 4 . 1 1 20 20 TRP C C 20 176.302 176.302 176.530 -0.228 18237 961 1 4 . 1 1 20 20 TRP CA C 20 55.878 55.878 56.442 -0.564 18237 962 1 4 . 1 1 20 20 TRP CB C 20 29.545 29.545 30.249 -0.704 18237 963 1 4 . 1 1 20 20 TRP H H 20 9.094 9.094 8.305 0.789 18237 964 1 4 . 1 1 21 21 VAL N N 21 123.071 123.071 125.658 -2.587 18237 965 1 4 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.511 0.474 18237 966 1 4 . 1 1 21 21 VAL C C 21 175.640 175.640 175.401 0.239 18237 967 1 4 . 1 1 21 21 VAL CA C 21 59.537 59.537 61.171 -1.634 18237 968 1 4 . 1 1 21 21 VAL CB C 21 34.651 34.651 34.868 -0.217 18237 969 1 4 . 1 1 21 21 VAL H H 21 9.868 9.868 8.356 1.512 18237 970 1 4 . 1 1 22 22 LEU N N 22 127.193 127.193 129.048 -1.855 18237 971 1 4 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.181 0.241 18237 972 1 4 . 1 1 22 22 LEU C C 22 179.268 179.268 178.689 0.579 18237 973 1 4 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.412 0.222 18237 974 1 4 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.032 0.247 18237 975 1 4 . 1 1 22 22 LEU H H 22 8.812 8.812 8.944 -0.131 18237 976 1 4 . 1 1 23 23 LEU N N 23 126.386 126.386 122.962 3.424 18237 977 1 4 . 1 1 23 23 LEU C C 23 178.844 178.844 178.946 -0.102 18237 978 1 4 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.348 -0.945 18237 979 1 4 . 1 1 23 23 LEU CB C 23 41.061 41.061 41.287 -0.226 18237 980 1 4 . 1 1 23 23 LEU H H 23 8.562 8.562 8.356 0.206 18237 981 1 4 . 1 1 24 24 SER N N 24 113.100 113.100 116.005 -2.905 18237 982 1 4 . 1 1 24 24 SER HA H 24 4.621 4.621 4.039 0.582 18237 983 1 4 . 1 1 24 24 SER C C 24 176.676 176.676 176.353 0.323 18237 984 1 4 . 1 1 24 24 SER CA C 24 60.960 60.960 61.742 -0.782 18237 985 1 4 . 1 1 24 24 SER CB C 24 61.650 61.650 62.640 -0.990 18237 986 1 4 . 1 1 24 24 SER H H 24 9.098 9.098 8.438 0.660 18237 987 1 4 . 1 1 25 25 THR N N 25 116.715 116.715 113.078 3.637 18237 988 1 4 . 1 1 25 25 THR HA H 25 3.915 3.915 4.124 -0.209 18237 989 1 4 . 1 1 25 25 THR CA C 25 64.599 64.599 64.768 -0.169 18237 990 1 4 . 1 1 25 25 THR CB C 25 68.657 68.657 68.973 -0.316 18237 991 1 4 . 1 1 25 25 THR H H 25 7.238 7.238 7.954 -0.716 18237 992 1 4 . 1 1 26 26 PHE N N 26 118.488 118.488 119.991 -1.503 18237 993 1 4 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.427 -0.317 18237 994 1 4 . 1 1 26 26 PHE C C 26 176.181 176.181 176.231 -0.050 18237 995 1 4 . 1 1 26 26 PHE CA C 26 58.627 58.627 60.367 -1.740 18237 996 1 4 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.614 0.179 18237 997 1 4 . 1 1 26 26 PHE H H 26 7.945 7.945 8.173 -0.228 18237 998 1 4 . 1 1 27 27 LEU N N 27 118.525 118.525 119.370 -0.845 18237 999 1 4 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.236 0.287 18237 1000 1 4 . 1 1 27 27 LEU C C 27 177.752 177.752 177.747 0.005 18237 1001 1 4 . 1 1 27 27 LEU CA C 27 54.679 54.679 56.853 -2.174 18237 1002 1 4 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.662 -1.329 18237 1003 1 4 . 1 1 27 27 LEU H H 27 7.290 7.290 7.717 -0.427 18237 1004 1 4 . 1 1 28 28 GLY N N 28 108.823 108.823 101.937 6.886 18237 1005 1 4 . 1 1 28 28 GLY C C 28 174.630 174.630 173.621 1.009 18237 1006 1 4 . 1 1 28 28 GLY CA C 28 45.374 45.374 45.748 -0.374 18237 1007 1 4 . 1 1 28 28 GLY H H 28 8.242 8.242 7.685 0.557 18237 1008 1 4 . 1 1 29 29 SER N N 29 116.210 116.210 116.197 0.013 18237 1009 1 4 . 1 1 29 29 SER HA H 29 4.626 4.626 4.292 0.334 18237 1010 1 4 . 1 1 29 29 SER C C 29 175.312 175.312 174.064 1.248 18237 1011 1 4 . 1 1 29 29 SER CA C 29 57.992 57.992 58.398 -0.406 18237 1012 1 4 . 1 1 29 29 SER CB C 29 63.605 63.605 62.990 0.615 18237 1013 1 4 . 1 1 29 29 SER H H 29 8.310 8.310 8.357 -0.047 18237 1014 1 4 . 1 1 30 30 SER N N 30 118.892 118.892 112.813 6.079 18237 1015 1 4 . 1 1 30 30 SER HA H 30 4.597 4.597 4.175 0.422 18237 1016 1 4 . 1 1 30 30 SER C C 30 175.479 175.479 175.401 0.078 18237 1017 1 4 . 1 1 30 30 SER CA C 30 58.582 58.582 59.634 -1.052 18237 1018 1 4 . 1 1 30 30 SER CB C 30 63.605 63.605 62.074 1.531 18237 1019 1 4 . 1 1 30 30 SER H H 30 8.593 8.593 8.569 0.024 18237 1020 1 4 . 1 1 31 31 GLY N N 31 111.354 111.354 107.774 3.580 18237 1021 1 4 . 1 1 31 31 GLY C C 31 174.428 174.428 174.960 -0.532 18237 1022 1 4 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.466 -0.010 18237 1023 1 4 . 1 1 31 31 GLY H H 31 8.584 8.584 7.798 0.786 18237 1024 1 4 . 1 1 32 32 ASN N N 32 119.486 119.486 115.426 4.060 18237 1025 1 4 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.761 0.056 18237 1026 1 4 . 1 1 32 32 ASN C C 32 175.928 175.928 175.428 0.500 18237 1027 1 4 . 1 1 32 32 ASN CA C 32 53.215 53.215 53.465 -0.250 18237 1028 1 4 . 1 1 32 32 ASN CB C 32 38.780 38.780 39.182 -0.402 18237 1029 1 4 . 1 1 32 32 ASN H H 32 8.393 8.393 8.022 0.371 18237 1030 1 4 . 1 1 33 33 GLU N N 33 122.031 122.031 120.635 1.396 18237 1031 1 4 . 1 1 33 33 GLU HA H 33 4.271 4.271 4.053 0.218 18237 1032 1 4 . 1 1 33 33 GLU CA C 33 57.426 57.426 58.958 -1.532 18237 1033 1 4 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.102 0.225 18237 1034 1 4 . 1 1 33 33 GLU H H 33 8.711 8.711 8.784 -0.073 18237 1035 1 4 . 1 1 34 34 GLN N N 34 120.866 120.866 118.326 2.540 18237 1036 1 4 . 1 1 34 34 GLN HA H 34 4.271 4.271 3.953 0.318 18237 1037 1 4 . 1 1 34 34 GLN CA C 34 56.226 56.226 59.067 -2.841 18237 1038 1 4 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.573 0.266 18237 1039 1 4 . 1 1 34 34 GLN H H 34 8.438 8.438 8.237 0.201 18237 1040 1 4 . 1 1 35 35 GLU N N 35 122.323 122.323 120.098 2.225 18237 1041 1 4 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.092 0.227 18237 1042 1 4 . 1 1 35 35 GLU C C 35 177.176 177.176 178.962 -1.786 18237 1043 1 4 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.823 -1.827 18237 1044 1 4 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.377 0.168 18237 1045 1 4 . 1 1 35 35 GLU H H 35 8.424 8.424 7.800 0.624 18237 1046 1 4 . 1 1 36 36 LEU N N 36 122.904 122.904 117.204 5.700 18237 1047 1 4 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.089 0.230 18237 1048 1 4 . 1 1 36 36 LEU CA C 36 55.898 55.898 56.570 -0.672 18237 1049 1 4 . 1 1 36 36 LEU CB C 36 41.496 41.496 42.001 -0.505 18237 1050 1 4 . 1 1 36 36 LEU H H 36 8.342 8.342 7.311 1.031 18237 1051 1 4 . 1 1 38 38 GLU N N 38 121.931 121.931 120.751 1.180 18237 1052 1 4 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.126 0.270 18237 1053 1 4 . 1 1 38 38 GLU C C 38 177.318 177.318 178.137 -0.819 18237 1054 1 4 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.245 -2.880 18237 1055 1 4 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.572 -0.244 18237 1056 1 4 . 1 1 38 38 GLU H H 38 8.342 8.342 8.018 0.324 18237 1057 1 4 . 1 1 39 39 LEU N N 39 123.317 123.317 119.484 3.833 18237 1058 1 4 . 1 1 39 39 LEU HA H 39 4.348 4.348 2.465 1.883 18237 1059 1 4 . 1 1 39 39 LEU CA C 39 56.833 56.833 58.292 -1.459 18237 1060 1 4 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.486 -0.099 18237 1061 1 4 . 1 1 39 39 LEU H H 39 8.342 8.342 6.963 1.379 18237 1062 1 4 . 1 1 40 40 ASP N N 40 119.726 119.726 116.313 3.413 18237 1063 1 4 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.239 0.332 18237 1064 1 4 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.353 -1.764 18237 1065 1 4 . 1 1 40 40 ASP H H 40 8.530 8.530 8.461 0.069 18237 1066 1 4 . 1 1 41 41 LYS N N 41 121.200 121.200 119.273 1.927 18237 1067 1 4 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.328 -0.164 18237 1068 1 4 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.468 -0.248 18237 1069 1 4 . 1 1 41 41 LYS H H 41 8.145 8.145 7.630 0.515 18237 1070 1 4 . 1 1 42 42 TRP N N 42 120.615 120.615 120.550 0.065 18237 1071 1 4 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.369 0.228 18237 1072 1 4 . 1 1 42 42 TRP C C 42 177.641 177.641 178.459 -0.818 18237 1073 1 4 . 1 1 42 42 TRP CA C 42 58.561 58.561 58.599 -0.038 18237 1074 1 4 . 1 1 42 42 TRP CB C 42 28.839 28.839 27.953 0.886 18237 1075 1 4 . 1 1 42 42 TRP H H 42 8.025 8.025 8.462 -0.437 18237 1076 1 4 . 1 1 43 43 ALA N N 43 122.056 122.056 120.240 1.816 18237 1077 1 4 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.122 0.018 18237 1078 1 4 . 1 1 43 43 ALA C C 43 172.776 172.776 179.622 -6.846 18237 1079 1 4 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.020 -0.156 18237 1080 1 4 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.863 0.111 18237 1081 1 4 . 1 1 43 43 ALA H H 43 8.199 8.199 7.992 0.207 18237 1082 1 4 . 1 1 44 44 SER N N 44 113.378 113.378 114.432 -1.054 18237 1083 1 4 . 1 1 44 44 SER HA H 44 4.376 4.376 4.292 0.084 18237 1084 1 4 . 1 1 44 44 SER C C 44 176.767 176.767 176.827 -0.060 18237 1085 1 4 . 1 1 44 44 SER CA C 44 60.980 60.980 62.136 -1.156 18237 1086 1 4 . 1 1 44 44 SER CB C 44 62.410 62.410 63.082 -0.672 18237 1087 1 4 . 1 1 44 44 SER H H 44 8.210 8.210 8.158 0.052 18237 1088 1 4 . 1 1 45 45 LEU N N 45 123.425 123.425 121.729 1.696 18237 1089 1 4 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.312 -0.118 18237 1090 1 4 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.519 0.087 18237 1091 1 4 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.610 -0.440 18237 1092 1 4 . 1 1 45 45 LEU H H 45 7.906 7.906 7.599 0.307 18237 1093 1 4 . 1 1 46 46 TRP N N 46 118.572 118.572 120.469 -1.897 18237 1094 1 4 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.314 0.341 18237 1095 1 4 . 1 1 46 46 TRP C C 46 177.838 177.838 178.347 -0.509 18237 1096 1 4 . 1 1 46 46 TRP CA C 46 58.907 58.907 60.253 -1.346 18237 1097 1 4 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.470 -0.251 18237 1098 1 4 . 1 1 46 46 TRP H H 46 8.043 8.043 8.246 -0.203 18237 1099 1 4 . 1 1 47 47 ASN N N 47 116.564 116.564 117.736 -1.172 18237 1100 1 4 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.573 0.053 18237 1101 1 4 . 1 1 47 47 ASN C C 47 176.904 176.904 177.516 -0.612 18237 1102 1 4 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.567 -0.522 18237 1103 1 4 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.493 0.070 18237 1104 1 4 . 1 1 47 47 ASN H H 47 8.174 8.174 8.746 -0.572 18237 1105 1 4 . 1 1 48 48 TRP N N 48 121.421 121.421 121.288 0.133 18237 1106 1 4 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.604 -0.237 18237 1107 1 4 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.182 1.335 18237 1108 1 4 . 1 1 48 48 TRP CB C 48 28.893 28.893 28.916 -0.023 18237 1109 1 4 . 1 1 48 48 TRP H H 48 8.145 8.145 8.168 -0.023 18237 1110 1 4 . 1 1 49 49 PHE N N 49 118.299 118.299 121.462 -3.163 18237 1111 1 4 . 1 1 49 49 PHE HA H 49 4.252 4.252 3.719 0.533 18237 1112 1 4 . 1 1 49 49 PHE C C 49 175.565 175.565 175.097 0.468 18237 1113 1 4 . 1 1 49 49 PHE CA C 49 58.887 58.887 57.700 1.187 18237 1114 1 4 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.386 0.285 18237 1115 1 4 . 1 1 49 49 PHE H H 49 8.036 8.036 7.530 0.506 18237 1116 1 4 . 1 1 50 50 ASN N N 50 118.836 118.836 119.290 -0.454 18237 1117 1 4 . 1 1 50 50 ASN HA H 50 4.626 4.626 3.886 0.740 18237 1118 1 4 . 1 1 50 50 ASN C C 50 176.439 176.439 176.481 -0.042 18237 1119 1 4 . 1 1 50 50 ASN CA C 50 53.215 53.215 54.840 -1.625 18237 1120 1 4 . 1 1 50 50 ASN CB C 50 38.128 38.128 38.245 -0.117 18237 1121 1 4 . 1 1 50 50 ASN H H 50 7.795 7.795 7.415 0.380 18237 1122 1 4 . 1 1 51 51 ILE N N 51 120.218 120.218 116.791 3.427 18237 1123 1 4 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.719 0.072 18237 1124 1 4 . 1 1 51 51 ILE C C 51 177.202 177.202 177.269 -0.067 18237 1125 1 4 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.868 -1.766 18237 1126 1 4 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.086 0.281 18237 1127 1 4 . 1 1 51 51 ILE H H 51 8.147 8.147 6.887 1.260 18237 1128 1 4 . 1 1 52 52 THR N N 52 115.352 115.352 113.818 1.534 18237 1129 1 4 . 1 1 52 52 THR HA H 52 4.031 4.031 3.780 0.251 18237 1130 1 4 . 1 1 52 52 THR C C 52 176.095 176.095 176.113 -0.018 18237 1131 1 4 . 1 1 52 52 THR CA C 52 65.148 65.148 64.885 0.263 18237 1132 1 4 . 1 1 52 52 THR CB C 52 68.277 68.277 67.854 0.423 18237 1133 1 4 . 1 1 52 52 THR H H 52 8.009 8.009 7.206 0.803 18237 1134 1 4 . 1 1 53 53 ASN N N 53 119.874 119.874 120.267 -0.393 18237 1135 1 4 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.351 0.285 18237 1136 1 4 . 1 1 53 53 ASN C C 53 176.530 176.530 177.612 -1.082 18237 1137 1 4 . 1 1 53 53 ASN CA C 53 54.457 54.457 56.313 -1.856 18237 1138 1 4 . 1 1 53 53 ASN CB C 53 37.802 37.802 37.725 0.077 18237 1139 1 4 . 1 1 53 53 ASN H H 53 7.972 7.972 6.908 1.064 18237 1140 1 4 . 1 1 54 54 TRP N N 54 120.192 120.192 119.665 0.527 18237 1141 1 4 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.543 0.112 18237 1142 1 4 . 1 1 54 54 TRP CA C 54 58.643 58.643 58.460 0.183 18237 1143 1 4 . 1 1 54 54 TRP CB C 54 29.165 29.165 29.138 0.027 18237 1144 1 4 . 1 1 54 54 TRP H H 54 7.897 7.897 7.190 0.707 18237 1145 1 4 . 1 1 55 55 LEU N N 55 118.354 118.354 122.056 -3.702 18237 1146 1 4 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.670 0.418 18237 1147 1 4 . 1 1 55 55 LEU C C 55 177.975 177.975 178.257 -0.282 18237 1148 1 4 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.431 -1.961 18237 1149 1 4 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.440 -0.542 18237 1150 1 4 . 1 1 55 55 LEU H H 55 7.931 7.931 7.556 0.375 18237 1151 1 4 . 1 1 56 56 TRP N N 56 118.335 118.335 117.194 1.141 18237 1152 1 4 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.317 0.050 18237 1153 1 4 . 1 1 56 56 TRP C C 56 176.863 176.863 178.331 -1.468 18237 1154 1 4 . 1 1 56 56 TRP CA C 56 59.070 59.070 59.618 -0.548 18237 1155 1 4 . 1 1 56 56 TRP CB C 56 28.839 28.839 29.022 -0.183 18237 1156 1 4 . 1 1 56 56 TRP H H 56 7.665 7.665 7.252 0.413 18237 1157 1 4 . 1 1 57 57 TYR N N 57 116.808 116.808 119.040 -2.232 18237 1158 1 4 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.431 -0.260 18237 1159 1 4 . 1 1 57 57 TYR C C 57 176.085 176.085 176.598 -0.513 18237 1160 1 4 . 1 1 57 57 TYR CA C 57 59.865 59.865 60.768 -0.903 18237 1161 1 4 . 1 1 57 57 TYR CB C 57 38.563 38.563 38.827 -0.264 18237 1162 1 4 . 1 1 57 57 TYR H H 57 7.578 7.578 7.364 0.214 18237 1163 1 4 . 1 1 58 58 ILE N N 58 115.526 115.526 117.561 -2.035 18237 1164 1 4 . 1 1 58 58 ILE HA H 58 4.265 4.265 4.135 0.130 18237 1165 1 4 . 1 1 58 58 ILE C C 58 174.782 174.782 175.603 -0.821 18237 1166 1 4 . 1 1 58 58 ILE CA C 58 60.940 60.940 61.478 -0.538 18237 1167 1 4 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.718 -0.536 18237 1168 1 4 . 1 1 58 58 ILE H H 58 7.586 7.586 8.301 -0.715 18237 1169 1 5 . 1 1 2 2 TYR N N 2 120.470 120.470 121.177 -0.707 18237 1170 1 5 . 1 1 2 2 TYR C C 2 176.535 176.535 175.277 1.258 18237 1171 1 5 . 1 1 2 2 TYR CA C 2 55.995 55.995 58.052 -2.057 18237 1172 1 5 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.235 -1.922 18237 1173 1 5 . 1 1 2 2 TYR H H 2 7.951 7.951 8.155 -0.204 18237 1174 1 5 . 1 1 3 3 ILE N N 3 118.307 118.307 119.808 -1.501 18237 1175 1 5 . 1 1 3 3 ILE CA C 3 58.968 58.968 60.787 -1.819 18237 1176 1 5 . 1 1 3 3 ILE CB C 3 38.074 38.074 37.069 1.005 18237 1177 1 5 . 1 1 3 3 ILE H H 3 8.381 8.381 7.910 0.471 18237 1178 1 5 . 1 1 5 5 GLU N N 5 118.785 118.785 123.778 -4.993 18237 1179 1 5 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.173 0.082 18237 1180 1 5 . 1 1 5 5 GLU C C 5 176.267 176.267 174.981 1.286 18237 1181 1 5 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.674 -0.715 18237 1182 1 5 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.309 -0.275 18237 1183 1 5 . 1 1 5 5 GLU H H 5 7.710 7.710 8.536 -0.826 18237 1184 1 5 . 1 1 6 6 ALA N N 6 131.546 131.546 120.130 11.416 18237 1185 1 5 . 1 1 6 6 ALA HA H 6 3.575 3.575 3.689 -0.114 18237 1186 1 5 . 1 1 6 6 ALA CA C 6 50.959 50.959 49.759 1.200 18237 1187 1 5 . 1 1 6 6 ALA CB C 6 14.389 14.389 19.845 -5.456 18237 1188 1 5 . 1 1 6 6 ALA H H 6 8.338 8.338 8.173 0.165 18237 1189 1 5 . 1 1 8 8 ARG N N 8 126.915 126.915 121.547 5.368 18237 1190 1 5 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.531 -0.461 18237 1191 1 5 . 1 1 8 8 ARG C C 8 175.110 175.110 175.368 -0.258 18237 1192 1 5 . 1 1 8 8 ARG CA C 8 54.699 54.699 56.081 -1.382 18237 1193 1 5 . 1 1 8 8 ARG CB C 8 28.078 28.078 31.254 -3.176 18237 1194 1 5 . 1 1 8 8 ARG H H 8 8.725 8.725 8.392 0.333 18237 1195 1 5 . 1 1 9 9 ASP N N 9 123.653 123.653 124.453 -0.800 18237 1196 1 5 . 1 1 9 9 ASP C C 9 178.015 178.015 177.215 0.800 18237 1197 1 5 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.260 -1.513 18237 1198 1 5 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.288 -0.444 18237 1199 1 5 . 1 1 9 9 ASP H H 9 8.432 8.432 8.623 -0.191 18237 1200 1 5 . 1 1 10 10 GLY N N 10 111.908 111.908 108.054 3.854 18237 1201 1 5 . 1 1 10 10 GLY C C 10 174.822 174.822 174.798 0.024 18237 1202 1 5 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.014 0.230 18237 1203 1 5 . 1 1 10 10 GLY H H 10 9.727 9.727 8.596 1.131 18237 1204 1 5 . 1 1 11 11 GLN N N 11 118.395 118.395 120.461 -2.066 18237 1205 1 5 . 1 1 11 11 GLN C C 11 174.711 174.711 174.416 0.295 18237 1206 1 5 . 1 1 11 11 GLN CA C 11 53.398 53.398 54.754 -1.356 18237 1207 1 5 . 1 1 11 11 GLN CB C 11 30.306 30.306 30.404 -0.098 18237 1208 1 5 . 1 1 11 11 GLN H H 11 8.416 8.416 8.040 0.376 18237 1209 1 5 . 1 1 12 12 ALA N N 12 121.020 121.020 122.316 -1.296 18237 1210 1 5 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.170 0.773 18237 1211 1 5 . 1 1 12 12 ALA C C 12 177.990 177.990 175.173 2.817 18237 1212 1 5 . 1 1 12 12 ALA CA C 12 50.511 50.511 50.750 -0.239 18237 1213 1 5 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.759 -0.612 18237 1214 1 5 . 1 1 12 12 ALA H H 12 7.933 7.933 8.098 -0.165 18237 1215 1 5 . 1 1 13 13 TYR N N 13 121.755 121.755 119.230 2.525 18237 1216 1 5 . 1 1 13 13 TYR C C 13 175.519 175.519 174.613 0.906 18237 1217 1 5 . 1 1 13 13 TYR CA C 13 59.090 59.090 56.075 3.015 18237 1218 1 5 . 1 1 13 13 TYR CB C 13 43.180 43.180 41.288 1.892 18237 1219 1 5 . 1 1 13 13 TYR H H 13 9.575 9.575 8.152 1.423 18237 1220 1 5 . 1 1 14 14 VAL N N 14 112.251 112.251 120.716 -8.465 18237 1221 1 5 . 1 1 14 14 VAL C C 14 174.074 174.074 174.866 -0.792 18237 1222 1 5 . 1 1 14 14 VAL CA C 14 59.090 59.090 58.900 0.190 18237 1223 1 5 . 1 1 14 14 VAL CB C 14 32.750 32.750 34.934 -2.184 18237 1224 1 5 . 1 1 14 14 VAL H H 14 9.659 9.659 9.074 0.585 18237 1225 1 5 . 1 1 15 15 ARG N N 15 124.657 124.657 122.567 2.090 18237 1226 1 5 . 1 1 15 15 ARG C C 15 174.948 174.948 175.536 -0.588 18237 1227 1 5 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.992 -2.472 18237 1228 1 5 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.148 2.385 18237 1229 1 5 . 1 1 15 15 ARG H H 15 8.503 8.503 8.517 -0.014 18237 1230 1 5 . 1 1 16 16 LYS N N 16 128.240 128.240 125.681 2.559 18237 1231 1 5 . 1 1 16 16 LYS C C 16 175.974 175.974 175.341 0.633 18237 1232 1 5 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.786 -0.010 18237 1233 1 5 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.598 0.955 18237 1234 1 5 . 1 1 16 16 LYS H H 16 9.052 9.052 8.689 0.363 18237 1235 1 5 . 1 1 17 17 ASP N N 17 130.562 130.562 126.578 3.984 18237 1236 1 5 . 1 1 17 17 ASP C C 17 175.822 175.822 176.458 -0.636 18237 1237 1 5 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.754 1.694 18237 1238 1 5 . 1 1 17 17 ASP CB C 17 40.192 40.192 40.145 0.047 18237 1239 1 5 . 1 1 17 17 ASP H H 17 10.886 10.886 9.020 1.866 18237 1240 1 5 . 1 1 18 18 GLY N N 18 104.754 104.754 105.268 -0.514 18237 1241 1 5 . 1 1 18 18 GLY C C 18 173.104 173.104 173.221 -0.117 18237 1242 1 5 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.412 -0.168 18237 1243 1 5 . 1 1 18 18 GLY H H 18 9.353 9.353 8.329 1.024 18237 1244 1 5 . 1 1 19 19 GLU N N 19 117.501 117.501 117.710 -0.209 18237 1245 1 5 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.070 0.578 18237 1246 1 5 . 1 1 19 19 GLU C C 19 176.166 176.166 174.609 1.557 18237 1247 1 5 . 1 1 19 19 GLU CA C 19 53.865 53.865 53.550 0.315 18237 1248 1 5 . 1 1 19 19 GLU CB C 19 33.130 33.130 32.481 0.649 18237 1249 1 5 . 1 1 19 19 GLU H H 19 7.813 7.813 7.991 -0.178 18237 1250 1 5 . 1 1 20 20 TRP N N 20 122.768 122.768 122.723 0.045 18237 1251 1 5 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.564 -0.897 18237 1252 1 5 . 1 1 20 20 TRP C C 20 176.302 176.302 175.766 0.536 18237 1253 1 5 . 1 1 20 20 TRP CA C 20 55.878 55.878 55.265 0.613 18237 1254 1 5 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.012 0.533 18237 1255 1 5 . 1 1 20 20 TRP H H 20 9.094 9.094 7.114 1.980 18237 1256 1 5 . 1 1 21 21 VAL N N 21 123.071 123.071 124.413 -1.342 18237 1257 1 5 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.442 0.543 18237 1258 1 5 . 1 1 21 21 VAL C C 21 175.640 175.640 175.711 -0.071 18237 1259 1 5 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.615 -1.078 18237 1260 1 5 . 1 1 21 21 VAL CB C 21 34.651 34.651 34.930 -0.279 18237 1261 1 5 . 1 1 21 21 VAL H H 21 9.868 9.868 8.445 1.423 18237 1262 1 5 . 1 1 22 22 LEU N N 22 127.193 127.193 129.187 -1.994 18237 1263 1 5 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.514 -0.092 18237 1264 1 5 . 1 1 22 22 LEU C C 22 179.268 179.268 179.008 0.260 18237 1265 1 5 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.563 0.071 18237 1266 1 5 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.400 -0.121 18237 1267 1 5 . 1 1 22 22 LEU H H 22 8.812 8.812 9.079 -0.267 18237 1268 1 5 . 1 1 23 23 LEU N N 23 126.386 126.386 126.487 -0.101 18237 1269 1 5 . 1 1 23 23 LEU C C 23 178.844 178.844 178.240 0.604 18237 1270 1 5 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.091 -0.688 18237 1271 1 5 . 1 1 23 23 LEU CB C 23 41.061 41.061 41.733 -0.672 18237 1272 1 5 . 1 1 23 23 LEU H H 23 8.562 8.562 8.094 0.468 18237 1273 1 5 . 1 1 24 24 SER N N 24 113.100 113.100 114.957 -1.857 18237 1274 1 5 . 1 1 24 24 SER HA H 24 4.621 4.621 4.101 0.520 18237 1275 1 5 . 1 1 24 24 SER C C 24 176.676 176.676 176.295 0.381 18237 1276 1 5 . 1 1 24 24 SER CA C 24 60.960 60.960 61.498 -0.538 18237 1277 1 5 . 1 1 24 24 SER CB C 24 61.650 61.650 62.505 -0.855 18237 1278 1 5 . 1 1 24 24 SER H H 24 9.098 9.098 8.512 0.586 18237 1279 1 5 . 1 1 25 25 THR N N 25 116.715 116.715 115.340 1.375 18237 1280 1 5 . 1 1 25 25 THR HA H 25 3.915 3.915 4.127 -0.212 18237 1281 1 5 . 1 1 25 25 THR CA C 25 64.599 64.599 64.546 0.053 18237 1282 1 5 . 1 1 25 25 THR CB C 25 68.657 68.657 68.610 0.047 18237 1283 1 5 . 1 1 25 25 THR H H 25 7.238 7.238 8.049 -0.811 18237 1284 1 5 . 1 1 26 26 PHE N N 26 118.488 118.488 118.866 -0.378 18237 1285 1 5 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.516 -0.406 18237 1286 1 5 . 1 1 26 26 PHE C C 26 176.181 176.181 176.417 -0.236 18237 1287 1 5 . 1 1 26 26 PHE CA C 26 58.627 58.627 60.218 -1.591 18237 1288 1 5 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.638 0.155 18237 1289 1 5 . 1 1 26 26 PHE H H 26 7.945 7.945 8.167 -0.222 18237 1290 1 5 . 1 1 27 27 LEU N N 27 118.525 118.525 119.573 -1.048 18237 1291 1 5 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.234 0.289 18237 1292 1 5 . 1 1 27 27 LEU C C 27 177.752 177.752 178.347 -0.595 18237 1293 1 5 . 1 1 27 27 LEU CA C 27 54.679 54.679 56.185 -1.506 18237 1294 1 5 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.562 -1.230 18237 1295 1 5 . 1 1 27 27 LEU H H 27 7.290 7.290 7.644 -0.354 18237 1296 1 5 . 1 1 28 28 GLY N N 28 108.823 108.823 105.503 3.320 18237 1297 1 5 . 1 1 28 28 GLY C C 28 174.630 174.630 174.222 0.408 18237 1298 1 5 . 1 1 28 28 GLY CA C 28 45.374 45.374 45.106 0.268 18237 1299 1 5 . 1 1 28 28 GLY H H 28 8.242 8.242 7.988 0.254 18237 1300 1 5 . 1 1 29 29 SER N N 29 116.210 116.210 115.527 0.683 18237 1301 1 5 . 1 1 29 29 SER HA H 29 4.626 4.626 4.620 0.006 18237 1302 1 5 . 1 1 29 29 SER C C 29 175.312 175.312 176.026 -0.714 18237 1303 1 5 . 1 1 29 29 SER CA C 29 57.992 57.992 57.903 0.089 18237 1304 1 5 . 1 1 29 29 SER CB C 29 63.605 63.605 63.875 -0.270 18237 1305 1 5 . 1 1 29 29 SER H H 29 8.310 8.310 7.865 0.445 18237 1306 1 5 . 1 1 30 30 SER N N 30 118.892 118.892 112.563 6.329 18237 1307 1 5 . 1 1 30 30 SER HA H 30 4.597 4.597 4.371 0.226 18237 1308 1 5 . 1 1 30 30 SER C C 30 175.479 175.479 174.609 0.870 18237 1309 1 5 . 1 1 30 30 SER CA C 30 58.582 58.582 59.676 -1.094 18237 1310 1 5 . 1 1 30 30 SER CB C 30 63.605 63.605 61.471 2.134 18237 1311 1 5 . 1 1 30 30 SER H H 30 8.593 8.593 8.663 -0.070 18237 1312 1 5 . 1 1 31 31 GLY N N 31 111.354 111.354 110.493 0.861 18237 1313 1 5 . 1 1 31 31 GLY C C 31 174.428 174.428 175.260 -0.832 18237 1314 1 5 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.614 -0.158 18237 1315 1 5 . 1 1 31 31 GLY H H 31 8.584 8.584 7.896 0.688 18237 1316 1 5 . 1 1 32 32 ASN N N 32 119.486 119.486 118.532 0.954 18237 1317 1 5 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.643 0.174 18237 1318 1 5 . 1 1 32 32 ASN C C 32 175.928 175.928 176.391 -0.463 18237 1319 1 5 . 1 1 32 32 ASN CA C 32 53.215 53.215 52.517 0.698 18237 1320 1 5 . 1 1 32 32 ASN CB C 32 38.780 38.780 37.831 0.949 18237 1321 1 5 . 1 1 32 32 ASN H H 32 8.393 8.393 8.705 -0.312 18237 1322 1 5 . 1 1 33 33 GLU N N 33 122.031 122.031 120.160 1.871 18237 1323 1 5 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.960 0.311 18237 1324 1 5 . 1 1 33 33 GLU CA C 33 57.426 57.426 58.849 -1.423 18237 1325 1 5 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.435 -0.107 18237 1326 1 5 . 1 1 33 33 GLU H H 33 8.711 8.711 8.516 0.195 18237 1327 1 5 . 1 1 34 34 GLN N N 34 120.866 120.866 117.775 3.091 18237 1328 1 5 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.011 0.260 18237 1329 1 5 . 1 1 34 34 GLN CA C 34 56.226 56.226 58.794 -2.568 18237 1330 1 5 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.872 -0.033 18237 1331 1 5 . 1 1 34 34 GLN H H 34 8.438 8.438 7.540 0.898 18237 1332 1 5 . 1 1 35 35 GLU N N 35 122.323 122.323 120.042 2.281 18237 1333 1 5 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.151 0.168 18237 1334 1 5 . 1 1 35 35 GLU C C 35 177.176 177.176 178.949 -1.773 18237 1335 1 5 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.764 -1.768 18237 1336 1 5 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.466 0.079 18237 1337 1 5 . 1 1 35 35 GLU H H 35 8.424 8.424 7.740 0.684 18237 1338 1 5 . 1 1 36 36 LEU N N 36 122.904 122.904 117.361 5.543 18237 1339 1 5 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.113 0.206 18237 1340 1 5 . 1 1 36 36 LEU CA C 36 55.898 55.898 56.446 -0.548 18237 1341 1 5 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.769 -0.273 18237 1342 1 5 . 1 1 36 36 LEU H H 36 8.342 8.342 7.426 0.916 18237 1343 1 5 . 1 1 38 38 GLU N N 38 121.931 121.931 120.945 0.986 18237 1344 1 5 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.138 0.258 18237 1345 1 5 . 1 1 38 38 GLU C C 38 177.318 177.318 178.205 -0.887 18237 1346 1 5 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.314 -2.948 18237 1347 1 5 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.728 -0.400 18237 1348 1 5 . 1 1 38 38 GLU H H 38 8.342 8.342 7.718 0.624 18237 1349 1 5 . 1 1 39 39 LEU N N 39 123.317 123.317 119.430 3.887 18237 1350 1 5 . 1 1 39 39 LEU HA H 39 4.348 4.348 2.226 2.122 18237 1351 1 5 . 1 1 39 39 LEU CA C 39 56.833 56.833 58.157 -1.324 18237 1352 1 5 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.395 -0.008 18237 1353 1 5 . 1 1 39 39 LEU H H 39 8.342 8.342 7.108 1.234 18237 1354 1 5 . 1 1 40 40 ASP N N 40 119.726 119.726 116.245 3.481 18237 1355 1 5 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.243 0.328 18237 1356 1 5 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.486 -1.897 18237 1357 1 5 . 1 1 40 40 ASP H H 40 8.530 8.530 8.448 0.082 18237 1358 1 5 . 1 1 41 41 LYS N N 41 121.200 121.200 118.893 2.307 18237 1359 1 5 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.355 -0.191 18237 1360 1 5 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.286 -0.066 18237 1361 1 5 . 1 1 41 41 LYS H H 41 8.145 8.145 7.776 0.369 18237 1362 1 5 . 1 1 42 42 TRP N N 42 120.615 120.615 120.698 -0.083 18237 1363 1 5 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.390 0.207 18237 1364 1 5 . 1 1 42 42 TRP C C 42 177.641 177.641 178.291 -0.650 18237 1365 1 5 . 1 1 42 42 TRP CA C 42 58.561 58.561 58.755 -0.194 18237 1366 1 5 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.102 0.737 18237 1367 1 5 . 1 1 42 42 TRP H H 42 8.025 8.025 8.332 -0.307 18237 1368 1 5 . 1 1 43 43 ALA N N 43 122.056 122.056 120.979 1.077 18237 1369 1 5 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.159 -0.019 18237 1370 1 5 . 1 1 43 43 ALA C C 43 172.776 172.776 179.919 -7.143 18237 1371 1 5 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.322 -0.459 18237 1372 1 5 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.853 0.121 18237 1373 1 5 . 1 1 43 43 ALA H H 43 8.199 8.199 7.970 0.229 18237 1374 1 5 . 1 1 44 44 SER N N 44 113.378 113.378 115.474 -2.096 18237 1375 1 5 . 1 1 44 44 SER HA H 44 4.376 4.376 4.228 0.148 18237 1376 1 5 . 1 1 44 44 SER C C 44 176.767 176.767 176.841 -0.074 18237 1377 1 5 . 1 1 44 44 SER CA C 44 60.980 60.980 62.195 -1.215 18237 1378 1 5 . 1 1 44 44 SER CB C 44 62.410 62.410 62.930 -0.520 18237 1379 1 5 . 1 1 44 44 SER H H 44 8.210 8.210 8.332 -0.122 18237 1380 1 5 . 1 1 45 45 LEU N N 45 123.425 123.425 121.775 1.650 18237 1381 1 5 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.355 -0.161 18237 1382 1 5 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.443 0.163 18237 1383 1 5 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.698 -0.528 18237 1384 1 5 . 1 1 45 45 LEU H H 45 7.906 7.906 7.514 0.392 18237 1385 1 5 . 1 1 46 46 TRP N N 46 118.572 118.572 120.914 -2.342 18237 1386 1 5 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.240 0.415 18237 1387 1 5 . 1 1 46 46 TRP C C 46 177.838 177.838 177.205 0.633 18237 1388 1 5 . 1 1 46 46 TRP CA C 46 58.907 58.907 61.228 -2.321 18237 1389 1 5 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.374 -0.155 18237 1390 1 5 . 1 1 46 46 TRP H H 46 8.043 8.043 8.307 -0.264 18237 1391 1 5 . 1 1 47 47 ASN N N 47 116.564 116.564 116.745 -0.181 18237 1392 1 5 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.230 0.396 18237 1393 1 5 . 1 1 47 47 ASN C C 47 176.904 176.904 176.965 -0.061 18237 1394 1 5 . 1 1 47 47 ASN CA C 47 55.045 55.045 54.875 0.170 18237 1395 1 5 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.518 0.045 18237 1396 1 5 . 1 1 47 47 ASN H H 47 8.174 8.174 8.569 -0.395 18237 1397 1 5 . 1 1 48 48 TRP N N 48 121.421 121.421 120.651 0.770 18237 1398 1 5 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.585 -0.218 18237 1399 1 5 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.533 0.984 18237 1400 1 5 . 1 1 48 48 TRP CB C 48 28.893 28.893 29.908 -1.015 18237 1401 1 5 . 1 1 48 48 TRP H H 48 8.145 8.145 7.650 0.495 18237 1402 1 5 . 1 1 49 49 PHE N N 49 118.299 118.299 119.498 -1.199 18237 1403 1 5 . 1 1 49 49 PHE HA H 49 4.252 4.252 3.213 1.039 18237 1404 1 5 . 1 1 49 49 PHE C C 49 175.565 175.565 175.995 -0.430 18237 1405 1 5 . 1 1 49 49 PHE CA C 49 58.887 58.887 59.668 -0.781 18237 1406 1 5 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.059 0.612 18237 1407 1 5 . 1 1 49 49 PHE H H 49 8.036 8.036 8.476 -0.440 18237 1408 1 5 . 1 1 50 50 ASN N N 50 118.836 118.836 119.426 -0.590 18237 1409 1 5 . 1 1 50 50 ASN HA H 50 4.626 4.626 3.918 0.708 18237 1410 1 5 . 1 1 50 50 ASN C C 50 176.439 176.439 176.615 -0.176 18237 1411 1 5 . 1 1 50 50 ASN CA C 50 53.215 53.215 55.103 -1.888 18237 1412 1 5 . 1 1 50 50 ASN CB C 50 38.128 38.128 37.208 0.920 18237 1413 1 5 . 1 1 50 50 ASN H H 50 7.795 7.795 7.565 0.230 18237 1414 1 5 . 1 1 51 51 ILE N N 51 120.218 120.218 116.777 3.441 18237 1415 1 5 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.876 -0.085 18237 1416 1 5 . 1 1 51 51 ILE C C 51 177.202 177.202 177.405 -0.203 18237 1417 1 5 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.720 -1.618 18237 1418 1 5 . 1 1 51 51 ILE CB C 51 37.367 37.367 36.952 0.416 18237 1419 1 5 . 1 1 51 51 ILE H H 51 8.147 8.147 7.318 0.829 18237 1420 1 5 . 1 1 52 52 THR N N 52 115.352 115.352 114.603 0.749 18237 1421 1 5 . 1 1 52 52 THR HA H 52 4.031 4.031 3.980 0.051 18237 1422 1 5 . 1 1 52 52 THR C C 52 176.095 176.095 176.000 0.095 18237 1423 1 5 . 1 1 52 52 THR CA C 52 65.148 65.148 65.545 -0.397 18237 1424 1 5 . 1 1 52 52 THR CB C 52 68.277 68.277 68.198 0.079 18237 1425 1 5 . 1 1 52 52 THR H H 52 8.009 8.009 7.299 0.710 18237 1426 1 5 . 1 1 53 53 ASN N N 53 119.874 119.874 120.918 -1.044 18237 1427 1 5 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.128 0.508 18237 1428 1 5 . 1 1 53 53 ASN C C 53 176.530 176.530 177.284 -0.754 18237 1429 1 5 . 1 1 53 53 ASN CA C 53 54.457 54.457 55.253 -0.796 18237 1430 1 5 . 1 1 53 53 ASN CB C 53 37.802 37.802 37.340 0.462 18237 1431 1 5 . 1 1 53 53 ASN H H 53 7.972 7.972 6.965 1.007 18237 1432 1 5 . 1 1 54 54 TRP N N 54 120.192 120.192 119.851 0.341 18237 1433 1 5 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.806 -0.151 18237 1434 1 5 . 1 1 54 54 TRP CA C 54 58.643 58.643 58.337 0.306 18237 1435 1 5 . 1 1 54 54 TRP CB C 54 29.165 29.165 29.167 -0.002 18237 1436 1 5 . 1 1 54 54 TRP H H 54 7.897 7.897 7.174 0.723 18237 1437 1 5 . 1 1 55 55 LEU N N 55 118.354 118.354 123.014 -4.660 18237 1438 1 5 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.945 0.143 18237 1439 1 5 . 1 1 55 55 LEU C C 55 177.975 177.975 178.164 -0.189 18237 1440 1 5 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.424 -1.954 18237 1441 1 5 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.961 -1.063 18237 1442 1 5 . 1 1 55 55 LEU H H 55 7.931 7.931 7.721 0.210 18237 1443 1 5 . 1 1 56 56 TRP N N 56 118.335 118.335 117.541 0.794 18237 1444 1 5 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.468 -0.101 18237 1445 1 5 . 1 1 56 56 TRP C C 56 176.863 176.863 177.397 -0.534 18237 1446 1 5 . 1 1 56 56 TRP CA C 56 59.070 59.070 57.616 1.454 18237 1447 1 5 . 1 1 56 56 TRP CB C 56 28.839 28.839 27.641 1.198 18237 1448 1 5 . 1 1 56 56 TRP H H 56 7.665 7.665 8.021 -0.356 18237 1449 1 5 . 1 1 57 57 TYR N N 57 116.808 116.808 121.063 -4.255 18237 1450 1 5 . 1 1 57 57 TYR HA H 57 4.172 4.172 3.812 0.360 18237 1451 1 5 . 1 1 57 57 TYR C C 57 176.085 176.085 176.536 -0.451 18237 1452 1 5 . 1 1 57 57 TYR CA C 57 59.865 59.865 61.195 -1.330 18237 1453 1 5 . 1 1 57 57 TYR CB C 57 38.563 38.563 39.267 -0.703 18237 1454 1 5 . 1 1 57 57 TYR H H 57 7.578 7.578 8.120 -0.542 18237 1455 1 5 . 1 1 58 58 ILE N N 58 115.526 115.526 116.102 -0.576 18237 1456 1 5 . 1 1 58 58 ILE HA H 58 4.265 4.265 4.115 0.150 18237 1457 1 5 . 1 1 58 58 ILE C C 58 174.782 174.782 175.721 -0.939 18237 1458 1 5 . 1 1 58 58 ILE CA C 58 60.940 60.940 62.065 -1.125 18237 1459 1 5 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.818 -0.636 18237 1460 1 5 . 1 1 58 58 ILE H H 58 7.586 7.586 7.688 -0.102 18237 1461 1 6 . 1 1 2 2 TYR N N 2 120.470 120.470 120.516 -0.046 18237 1462 1 6 . 1 1 2 2 TYR C C 2 176.535 176.535 175.442 1.093 18237 1463 1 6 . 1 1 2 2 TYR CA C 2 55.995 55.995 55.833 0.162 18237 1464 1 6 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.116 -1.803 18237 1465 1 6 . 1 1 2 2 TYR H H 2 7.951 7.951 7.509 0.442 18237 1466 1 6 . 1 1 3 3 ILE N N 3 118.307 118.307 120.604 -2.297 18237 1467 1 6 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.407 -2.439 18237 1468 1 6 . 1 1 3 3 ILE CB C 3 38.074 38.074 37.759 0.315 18237 1469 1 6 . 1 1 3 3 ILE H H 3 8.381 8.381 8.371 0.010 18237 1470 1 6 . 1 1 5 5 GLU N N 5 118.785 118.785 117.701 1.084 18237 1471 1 6 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.419 -0.164 18237 1472 1 6 . 1 1 5 5 GLU C C 5 176.267 176.267 174.381 1.886 18237 1473 1 6 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.211 -0.252 18237 1474 1 6 . 1 1 5 5 GLU CB C 5 30.034 30.034 29.981 0.053 18237 1475 1 6 . 1 1 5 5 GLU H H 5 7.710 7.710 7.818 -0.108 18237 1476 1 6 . 1 1 6 6 ALA N N 6 131.546 131.546 122.995 8.551 18237 1477 1 6 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.457 -0.882 18237 1478 1 6 . 1 1 6 6 ALA CA C 6 50.959 50.959 51.506 -0.547 18237 1479 1 6 . 1 1 6 6 ALA CB C 6 14.389 14.389 18.776 -4.387 18237 1480 1 6 . 1 1 6 6 ALA H H 6 8.338 8.338 8.083 0.255 18237 1481 1 6 . 1 1 8 8 ARG N N 8 126.915 126.915 121.466 5.449 18237 1482 1 6 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.490 -0.420 18237 1483 1 6 . 1 1 8 8 ARG C C 8 175.110 175.110 175.165 -0.055 18237 1484 1 6 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.895 -1.196 18237 1485 1 6 . 1 1 8 8 ARG CB C 8 28.078 28.078 31.202 -3.124 18237 1486 1 6 . 1 1 8 8 ARG H H 8 8.725 8.725 8.405 0.320 18237 1487 1 6 . 1 1 9 9 ASP N N 9 123.653 123.653 123.247 0.406 18237 1488 1 6 . 1 1 9 9 ASP C C 9 178.015 178.015 177.075 0.940 18237 1489 1 6 . 1 1 9 9 ASP CA C 9 52.747 52.747 53.706 -0.959 18237 1490 1 6 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.294 -0.450 18237 1491 1 6 . 1 1 9 9 ASP H H 9 8.432 8.432 8.546 -0.114 18237 1492 1 6 . 1 1 10 10 GLY N N 10 111.908 111.908 107.220 4.688 18237 1493 1 6 . 1 1 10 10 GLY C C 10 174.822 174.822 174.737 0.085 18237 1494 1 6 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.342 -0.097 18237 1495 1 6 . 1 1 10 10 GLY H H 10 9.727 9.727 8.302 1.425 18237 1496 1 6 . 1 1 11 11 GLN N N 11 118.395 118.395 118.822 -0.427 18237 1497 1 6 . 1 1 11 11 GLN C C 11 174.711 174.711 174.509 0.202 18237 1498 1 6 . 1 1 11 11 GLN CA C 11 53.398 53.398 54.869 -1.471 18237 1499 1 6 . 1 1 11 11 GLN CB C 11 30.306 30.306 29.657 0.649 18237 1500 1 6 . 1 1 11 11 GLN H H 11 8.416 8.416 7.810 0.606 18237 1501 1 6 . 1 1 12 12 ALA N N 12 121.020 121.020 122.807 -1.787 18237 1502 1 6 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.630 0.313 18237 1503 1 6 . 1 1 12 12 ALA C C 12 177.990 177.990 175.160 2.830 18237 1504 1 6 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.283 -0.772 18237 1505 1 6 . 1 1 12 12 ALA CB C 12 20.147 20.147 21.088 -0.941 18237 1506 1 6 . 1 1 12 12 ALA H H 12 7.933 7.933 8.148 -0.215 18237 1507 1 6 . 1 1 13 13 TYR N N 13 121.755 121.755 119.325 2.430 18237 1508 1 6 . 1 1 13 13 TYR C C 13 175.519 175.519 174.815 0.704 18237 1509 1 6 . 1 1 13 13 TYR CA C 13 59.090 59.090 57.098 1.992 18237 1510 1 6 . 1 1 13 13 TYR CB C 13 43.180 43.180 41.480 1.700 18237 1511 1 6 . 1 1 13 13 TYR H H 13 9.575 9.575 8.505 1.070 18237 1512 1 6 . 1 1 14 14 VAL N N 14 112.251 112.251 120.738 -8.487 18237 1513 1 6 . 1 1 14 14 VAL C C 14 174.074 174.074 174.605 -0.531 18237 1514 1 6 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.572 -0.482 18237 1515 1 6 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.080 -2.330 18237 1516 1 6 . 1 1 14 14 VAL H H 14 9.659 9.659 8.615 1.044 18237 1517 1 6 . 1 1 15 15 ARG N N 15 124.657 124.657 123.319 1.338 18237 1518 1 6 . 1 1 15 15 ARG C C 15 174.948 174.948 175.213 -0.265 18237 1519 1 6 . 1 1 15 15 ARG CA C 15 53.520 53.520 56.072 -2.552 18237 1520 1 6 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.304 2.229 18237 1521 1 6 . 1 1 15 15 ARG H H 15 8.503 8.503 8.538 -0.035 18237 1522 1 6 . 1 1 16 16 LYS N N 16 128.240 128.240 127.708 0.532 18237 1523 1 6 . 1 1 16 16 LYS C C 16 175.974 175.974 175.279 0.695 18237 1524 1 6 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.937 -0.161 18237 1525 1 6 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.228 1.325 18237 1526 1 6 . 1 1 16 16 LYS H H 16 9.052 9.052 8.633 0.419 18237 1527 1 6 . 1 1 17 17 ASP N N 17 130.562 130.562 126.501 4.061 18237 1528 1 6 . 1 1 17 17 ASP C C 17 175.822 175.822 176.416 -0.594 18237 1529 1 6 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.757 1.690 18237 1530 1 6 . 1 1 17 17 ASP CB C 17 40.192 40.192 40.045 0.147 18237 1531 1 6 . 1 1 17 17 ASP H H 17 10.886 10.886 8.982 1.904 18237 1532 1 6 . 1 1 18 18 GLY N N 18 104.754 104.754 104.987 -0.233 18237 1533 1 6 . 1 1 18 18 GLY C C 18 173.104 173.104 173.191 -0.087 18237 1534 1 6 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.426 -0.182 18237 1535 1 6 . 1 1 18 18 GLY H H 18 9.353 9.353 8.297 1.056 18237 1536 1 6 . 1 1 19 19 GLU N N 19 117.501 117.501 118.480 -0.979 18237 1537 1 6 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.141 0.507 18237 1538 1 6 . 1 1 19 19 GLU C C 19 176.166 176.166 174.424 1.742 18237 1539 1 6 . 1 1 19 19 GLU CA C 19 53.865 53.865 53.403 0.462 18237 1540 1 6 . 1 1 19 19 GLU CB C 19 33.130 33.130 31.705 1.425 18237 1541 1 6 . 1 1 19 19 GLU H H 19 7.813 7.813 8.077 -0.264 18237 1542 1 6 . 1 1 20 20 TRP N N 20 122.768 122.768 122.996 -0.228 18237 1543 1 6 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.604 -0.937 18237 1544 1 6 . 1 1 20 20 TRP C C 20 176.302 176.302 176.189 0.113 18237 1545 1 6 . 1 1 20 20 TRP CA C 20 55.878 55.878 55.170 0.708 18237 1546 1 6 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.184 0.361 18237 1547 1 6 . 1 1 20 20 TRP H H 20 9.094 9.094 7.096 1.998 18237 1548 1 6 . 1 1 21 21 VAL N N 21 123.071 123.071 125.100 -2.029 18237 1549 1 6 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.477 0.508 18237 1550 1 6 . 1 1 21 21 VAL C C 21 175.640 175.640 175.622 0.018 18237 1551 1 6 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.835 -1.298 18237 1552 1 6 . 1 1 21 21 VAL CB C 21 34.651 34.651 34.663 -0.012 18237 1553 1 6 . 1 1 21 21 VAL H H 21 9.868 9.868 8.239 1.629 18237 1554 1 6 . 1 1 22 22 LEU N N 22 127.193 127.193 129.242 -2.049 18237 1555 1 6 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.295 0.127 18237 1556 1 6 . 1 1 22 22 LEU C C 22 179.268 179.268 178.893 0.375 18237 1557 1 6 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.549 0.085 18237 1558 1 6 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.371 -0.092 18237 1559 1 6 . 1 1 22 22 LEU H H 22 8.812 8.812 9.089 -0.277 18237 1560 1 6 . 1 1 23 23 LEU N N 23 126.386 126.386 124.738 1.648 18237 1561 1 6 . 1 1 23 23 LEU C C 23 178.844 178.844 178.545 0.299 18237 1562 1 6 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.566 -1.163 18237 1563 1 6 . 1 1 23 23 LEU CB C 23 41.061 41.061 41.389 -0.328 18237 1564 1 6 . 1 1 23 23 LEU H H 23 8.562 8.562 8.282 0.280 18237 1565 1 6 . 1 1 24 24 SER N N 24 113.100 113.100 115.407 -2.307 18237 1566 1 6 . 1 1 24 24 SER HA H 24 4.621 4.621 4.047 0.574 18237 1567 1 6 . 1 1 24 24 SER C C 24 176.676 176.676 176.367 0.309 18237 1568 1 6 . 1 1 24 24 SER CA C 24 60.960 60.960 62.612 -1.652 18237 1569 1 6 . 1 1 24 24 SER CB C 24 61.650 61.650 62.430 -0.780 18237 1570 1 6 . 1 1 24 24 SER H H 24 9.098 9.098 8.501 0.597 18237 1571 1 6 . 1 1 25 25 THR N N 25 116.715 116.715 114.891 1.824 18237 1572 1 6 . 1 1 25 25 THR HA H 25 3.915 3.915 4.105 -0.190 18237 1573 1 6 . 1 1 25 25 THR CA C 25 64.599 64.599 65.120 -0.520 18237 1574 1 6 . 1 1 25 25 THR CB C 25 68.657 68.657 68.695 -0.038 18237 1575 1 6 . 1 1 25 25 THR H H 25 7.238 7.238 8.094 -0.856 18237 1576 1 6 . 1 1 26 26 PHE N N 26 118.488 118.488 119.654 -1.166 18237 1577 1 6 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.551 -0.441 18237 1578 1 6 . 1 1 26 26 PHE C C 26 176.181 176.181 176.850 -0.669 18237 1579 1 6 . 1 1 26 26 PHE CA C 26 58.627 58.627 59.617 -0.990 18237 1580 1 6 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.993 -0.200 18237 1581 1 6 . 1 1 26 26 PHE H H 26 7.945 7.945 8.277 -0.332 18237 1582 1 6 . 1 1 27 27 LEU N N 27 118.525 118.525 120.769 -2.244 18237 1583 1 6 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.332 0.191 18237 1584 1 6 . 1 1 27 27 LEU C C 27 177.752 177.752 177.217 0.535 18237 1585 1 6 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.993 -1.314 18237 1586 1 6 . 1 1 27 27 LEU CB C 27 41.333 41.333 43.040 -1.707 18237 1587 1 6 . 1 1 27 27 LEU H H 27 7.290 7.290 7.940 -0.650 18237 1588 1 6 . 1 1 28 28 GLY N N 28 108.823 108.823 107.925 0.898 18237 1589 1 6 . 1 1 28 28 GLY C C 28 174.630 174.630 173.253 1.377 18237 1590 1 6 . 1 1 28 28 GLY CA C 28 45.374 45.374 45.018 0.356 18237 1591 1 6 . 1 1 28 28 GLY H H 28 8.242 8.242 7.864 0.378 18237 1592 1 6 . 1 1 29 29 SER N N 29 116.210 116.210 118.747 -2.537 18237 1593 1 6 . 1 1 29 29 SER HA H 29 4.626 4.626 4.711 -0.085 18237 1594 1 6 . 1 1 29 29 SER C C 29 175.312 175.312 174.211 1.101 18237 1595 1 6 . 1 1 29 29 SER CA C 29 57.992 57.992 57.628 0.364 18237 1596 1 6 . 1 1 29 29 SER CB C 29 63.605 63.605 65.734 -2.129 18237 1597 1 6 . 1 1 29 29 SER H H 29 8.310 8.310 8.195 0.115 18237 1598 1 6 . 1 1 30 30 SER N N 30 118.892 118.892 116.540 2.352 18237 1599 1 6 . 1 1 30 30 SER HA H 30 4.597 4.597 4.177 0.420 18237 1600 1 6 . 1 1 30 30 SER C C 30 175.479 175.479 175.219 0.260 18237 1601 1 6 . 1 1 30 30 SER CA C 30 58.582 58.582 60.803 -2.221 18237 1602 1 6 . 1 1 30 30 SER CB C 30 63.605 63.605 62.036 1.569 18237 1603 1 6 . 1 1 30 30 SER H H 30 8.593 8.593 8.874 -0.281 18237 1604 1 6 . 1 1 31 31 GLY N N 31 111.354 111.354 108.987 2.367 18237 1605 1 6 . 1 1 31 31 GLY C C 31 174.428 174.428 174.160 0.268 18237 1606 1 6 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.599 -0.142 18237 1607 1 6 . 1 1 31 31 GLY H H 31 8.584 8.584 7.950 0.634 18237 1608 1 6 . 1 1 32 32 ASN N N 32 119.486 119.486 115.467 4.019 18237 1609 1 6 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.704 0.113 18237 1610 1 6 . 1 1 32 32 ASN C C 32 175.928 175.928 175.099 0.829 18237 1611 1 6 . 1 1 32 32 ASN CA C 32 53.215 53.215 53.139 0.076 18237 1612 1 6 . 1 1 32 32 ASN CB C 32 38.780 38.780 39.487 -0.707 18237 1613 1 6 . 1 1 32 32 ASN H H 32 8.393 8.393 7.807 0.586 18237 1614 1 6 . 1 1 33 33 GLU N N 33 122.031 122.031 119.936 2.095 18237 1615 1 6 . 1 1 33 33 GLU HA H 33 4.271 4.271 4.026 0.245 18237 1616 1 6 . 1 1 33 33 GLU CA C 33 57.426 57.426 58.707 -1.281 18237 1617 1 6 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.350 -0.022 18237 1618 1 6 . 1 1 33 33 GLU H H 33 8.711 8.711 8.676 0.035 18237 1619 1 6 . 1 1 34 34 GLN N N 34 120.866 120.866 118.185 2.681 18237 1620 1 6 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.075 0.196 18237 1621 1 6 . 1 1 34 34 GLN CA C 34 56.226 56.226 58.990 -2.764 18237 1622 1 6 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.435 0.404 18237 1623 1 6 . 1 1 34 34 GLN H H 34 8.438 8.438 8.330 0.108 18237 1624 1 6 . 1 1 35 35 GLU N N 35 122.323 122.323 119.547 2.776 18237 1625 1 6 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.193 0.126 18237 1626 1 6 . 1 1 35 35 GLU C C 35 177.176 177.176 178.674 -1.498 18237 1627 1 6 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.554 -1.558 18237 1628 1 6 . 1 1 35 35 GLU CB C 35 29.545 29.545 28.887 0.658 18237 1629 1 6 . 1 1 35 35 GLU H H 35 8.424 8.424 7.987 0.437 18237 1630 1 6 . 1 1 36 36 LEU N N 36 122.904 122.904 118.438 4.466 18237 1631 1 6 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.202 0.117 18237 1632 1 6 . 1 1 36 36 LEU CA C 36 55.898 55.898 56.839 -0.941 18237 1633 1 6 . 1 1 36 36 LEU CB C 36 41.496 41.496 42.172 -0.676 18237 1634 1 6 . 1 1 36 36 LEU H H 36 8.342 8.342 7.380 0.962 18237 1635 1 6 . 1 1 38 38 GLU N N 38 121.931 121.931 120.648 1.283 18237 1636 1 6 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.001 0.395 18237 1637 1 6 . 1 1 38 38 GLU C C 38 177.318 177.318 178.606 -1.288 18237 1638 1 6 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.772 -3.405 18237 1639 1 6 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.565 -0.237 18237 1640 1 6 . 1 1 38 38 GLU H H 38 8.342 8.342 7.834 0.508 18237 1641 1 6 . 1 1 39 39 LEU N N 39 123.317 123.317 120.411 2.906 18237 1642 1 6 . 1 1 39 39 LEU HA H 39 4.348 4.348 4.166 0.182 18237 1643 1 6 . 1 1 39 39 LEU CA C 39 56.833 56.833 58.788 -1.956 18237 1644 1 6 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.968 -0.581 18237 1645 1 6 . 1 1 39 39 LEU H H 39 8.342 8.342 8.057 0.285 18237 1646 1 6 . 1 1 40 40 ASP N N 40 119.726 119.726 117.221 2.505 18237 1647 1 6 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.303 0.268 18237 1648 1 6 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.968 -2.380 18237 1649 1 6 . 1 1 40 40 ASP H H 40 8.530 8.530 8.564 -0.034 18237 1650 1 6 . 1 1 41 41 LYS N N 41 121.200 121.200 120.902 0.298 18237 1651 1 6 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.074 0.090 18237 1652 1 6 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.725 -0.505 18237 1653 1 6 . 1 1 41 41 LYS H H 41 8.145 8.145 7.800 0.345 18237 1654 1 6 . 1 1 42 42 TRP N N 42 120.615 120.615 119.946 0.669 18237 1655 1 6 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.342 0.255 18237 1656 1 6 . 1 1 42 42 TRP C C 42 177.641 177.641 178.489 -0.848 18237 1657 1 6 . 1 1 42 42 TRP CA C 42 58.561 58.561 59.845 -1.284 18237 1658 1 6 . 1 1 42 42 TRP CB C 42 28.839 28.839 29.114 -0.275 18237 1659 1 6 . 1 1 42 42 TRP H H 42 8.025 8.025 7.977 0.048 18237 1660 1 6 . 1 1 43 43 ALA N N 43 122.056 122.056 120.783 1.273 18237 1661 1 6 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.062 0.078 18237 1662 1 6 . 1 1 43 43 ALA C C 43 172.776 172.776 179.344 -6.568 18237 1663 1 6 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.344 -0.480 18237 1664 1 6 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.970 0.004 18237 1665 1 6 . 1 1 43 43 ALA H H 43 8.199 8.199 8.713 -0.514 18237 1666 1 6 . 1 1 44 44 SER N N 44 113.378 113.378 115.287 -1.909 18237 1667 1 6 . 1 1 44 44 SER HA H 44 4.376 4.376 4.244 0.132 18237 1668 1 6 . 1 1 44 44 SER C C 44 176.767 176.767 176.759 0.008 18237 1669 1 6 . 1 1 44 44 SER CA C 44 60.980 60.980 62.323 -1.343 18237 1670 1 6 . 1 1 44 44 SER CB C 44 62.410 62.410 62.670 -0.261 18237 1671 1 6 . 1 1 44 44 SER H H 44 8.210 8.210 7.624 0.586 18237 1672 1 6 . 1 1 45 45 LEU N N 45 123.425 123.425 122.875 0.550 18237 1673 1 6 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.401 -0.207 18237 1674 1 6 . 1 1 45 45 LEU CA C 45 57.606 57.606 58.195 -0.589 18237 1675 1 6 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.340 -0.170 18237 1676 1 6 . 1 1 45 45 LEU H H 45 7.906 7.906 7.592 0.314 18237 1677 1 6 . 1 1 46 46 TRP N N 46 118.572 118.572 119.085 -0.513 18237 1678 1 6 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.318 0.337 18237 1679 1 6 . 1 1 46 46 TRP C C 46 177.838 177.838 178.866 -1.028 18237 1680 1 6 . 1 1 46 46 TRP CA C 46 58.907 58.907 59.940 -1.033 18237 1681 1 6 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.636 -0.416 18237 1682 1 6 . 1 1 46 46 TRP H H 46 8.043 8.043 8.755 -0.712 18237 1683 1 6 . 1 1 47 47 ASN N N 47 116.564 116.564 117.221 -0.657 18237 1684 1 6 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.704 -0.078 18237 1685 1 6 . 1 1 47 47 ASN C C 47 176.904 176.904 177.702 -0.798 18237 1686 1 6 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.811 -0.766 18237 1687 1 6 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.362 0.201 18237 1688 1 6 . 1 1 47 47 ASN H H 47 8.174 8.174 8.864 -0.690 18237 1689 1 6 . 1 1 48 48 TRP N N 48 121.421 121.421 121.382 0.039 18237 1690 1 6 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.697 -0.330 18237 1691 1 6 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.188 1.329 18237 1692 1 6 . 1 1 48 48 TRP CB C 48 28.893 28.893 28.915 -0.022 18237 1693 1 6 . 1 1 48 48 TRP H H 48 8.145 8.145 8.316 -0.171 18237 1694 1 6 . 1 1 49 49 PHE N N 49 118.299 118.299 122.122 -3.823 18237 1695 1 6 . 1 1 49 49 PHE HA H 49 4.252 4.252 3.638 0.614 18237 1696 1 6 . 1 1 49 49 PHE C C 49 175.565 175.565 174.565 1.000 18237 1697 1 6 . 1 1 49 49 PHE CA C 49 58.887 58.887 58.082 0.805 18237 1698 1 6 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.441 0.230 18237 1699 1 6 . 1 1 49 49 PHE H H 49 8.036 8.036 7.773 0.263 18237 1700 1 6 . 1 1 50 50 ASN N N 50 118.836 118.836 118.757 0.079 18237 1701 1 6 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.063 0.563 18237 1702 1 6 . 1 1 50 50 ASN C C 50 176.439 176.439 176.977 -0.538 18237 1703 1 6 . 1 1 50 50 ASN CA C 50 53.215 53.215 54.876 -1.661 18237 1704 1 6 . 1 1 50 50 ASN CB C 50 38.128 38.128 37.377 0.750 18237 1705 1 6 . 1 1 50 50 ASN H H 50 7.795 7.795 7.589 0.206 18237 1706 1 6 . 1 1 51 51 ILE N N 51 120.218 120.218 115.516 4.702 18237 1707 1 6 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.914 -0.123 18237 1708 1 6 . 1 1 51 51 ILE C C 51 177.202 177.202 177.154 0.048 18237 1709 1 6 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.796 -1.694 18237 1710 1 6 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.010 0.357 18237 1711 1 6 . 1 1 51 51 ILE H H 51 8.147 8.147 7.027 1.120 18237 1712 1 6 . 1 1 52 52 THR N N 52 115.352 115.352 112.965 2.387 18237 1713 1 6 . 1 1 52 52 THR HA H 52 4.031 4.031 4.065 -0.034 18237 1714 1 6 . 1 1 52 52 THR C C 52 176.095 176.095 176.677 -0.582 18237 1715 1 6 . 1 1 52 52 THR CA C 52 65.148 65.148 65.458 -0.310 18237 1716 1 6 . 1 1 52 52 THR CB C 52 68.277 68.277 68.032 0.245 18237 1717 1 6 . 1 1 52 52 THR H H 52 8.009 8.009 7.431 0.578 18237 1718 1 6 . 1 1 53 53 ASN N N 53 119.874 119.874 122.012 -2.138 18237 1719 1 6 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.235 0.401 18237 1720 1 6 . 1 1 53 53 ASN C C 53 176.530 176.530 177.166 -0.636 18237 1721 1 6 . 1 1 53 53 ASN CA C 53 54.457 54.457 55.779 -1.323 18237 1722 1 6 . 1 1 53 53 ASN CB C 53 37.802 37.802 37.584 0.217 18237 1723 1 6 . 1 1 53 53 ASN H H 53 7.972 7.972 7.111 0.861 18237 1724 1 6 . 1 1 54 54 TRP N N 54 120.192 120.192 120.212 -0.020 18237 1725 1 6 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.493 0.162 18237 1726 1 6 . 1 1 54 54 TRP CA C 54 58.643 58.643 59.009 -0.366 18237 1727 1 6 . 1 1 54 54 TRP CB C 54 29.165 29.165 29.227 -0.062 18237 1728 1 6 . 1 1 54 54 TRP H H 54 7.897 7.897 7.405 0.492 18237 1729 1 6 . 1 1 55 55 LEU N N 55 118.354 118.354 121.144 -2.790 18237 1730 1 6 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.884 0.204 18237 1731 1 6 . 1 1 55 55 LEU C C 55 177.975 177.975 178.759 -0.784 18237 1732 1 6 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.538 -2.068 18237 1733 1 6 . 1 1 55 55 LEU CB C 55 40.898 40.898 42.025 -1.127 18237 1734 1 6 . 1 1 55 55 LEU H H 55 7.931 7.931 8.208 -0.277 18237 1735 1 6 . 1 1 56 56 TRP N N 56 118.335 118.335 117.002 1.333 18237 1736 1 6 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.331 0.036 18237 1737 1 6 . 1 1 56 56 TRP C C 56 176.863 176.863 178.265 -1.402 18237 1738 1 6 . 1 1 56 56 TRP CA C 56 59.070 59.070 61.068 -1.998 18237 1739 1 6 . 1 1 56 56 TRP CB C 56 28.839 28.839 28.905 -0.066 18237 1740 1 6 . 1 1 56 56 TRP H H 56 7.665 7.665 7.913 -0.248 18237 1741 1 6 . 1 1 57 57 TYR N N 57 116.808 116.808 119.632 -2.824 18237 1742 1 6 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.360 -0.188 18237 1743 1 6 . 1 1 57 57 TYR C C 57 176.085 176.085 177.173 -1.088 18237 1744 1 6 . 1 1 57 57 TYR CA C 57 59.865 59.865 61.012 -1.147 18237 1745 1 6 . 1 1 57 57 TYR CB C 57 38.563 38.563 39.186 -0.623 18237 1746 1 6 . 1 1 57 57 TYR H H 57 7.578 7.578 7.582 -0.004 18237 1747 1 6 . 1 1 58 58 ILE N N 58 115.526 115.526 112.924 2.602 18237 1748 1 6 . 1 1 58 58 ILE HA H 58 4.265 4.265 4.360 -0.095 18237 1749 1 6 . 1 1 58 58 ILE C C 58 174.782 174.782 176.031 -1.249 18237 1750 1 6 . 1 1 58 58 ILE CA C 58 60.940 60.940 61.365 -0.425 18237 1751 1 6 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.546 -0.364 18237 1752 1 6 . 1 1 58 58 ILE H H 58 7.586 7.586 8.279 -0.693 18237 1753 1 7 . 1 1 2 2 TYR N N 2 120.470 120.470 119.313 1.157 18237 1754 1 7 . 1 1 2 2 TYR C C 2 176.535 176.535 175.494 1.041 18237 1755 1 7 . 1 1 2 2 TYR CA C 2 55.995 55.995 58.086 -2.091 18237 1756 1 7 . 1 1 2 2 TYR CB C 2 37.313 37.313 38.251 -0.938 18237 1757 1 7 . 1 1 2 2 TYR H H 2 7.951 7.951 7.832 0.119 18237 1758 1 7 . 1 1 3 3 ILE N N 3 118.307 118.307 119.915 -1.608 18237 1759 1 7 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.699 -2.731 18237 1760 1 7 . 1 1 3 3 ILE CB C 3 38.074 38.074 37.703 0.371 18237 1761 1 7 . 1 1 3 3 ILE H H 3 8.381 8.381 8.182 0.199 18237 1762 1 7 . 1 1 5 5 GLU N N 5 118.785 118.785 123.832 -5.047 18237 1763 1 7 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.410 -0.155 18237 1764 1 7 . 1 1 5 5 GLU C C 5 176.267 176.267 174.068 2.199 18237 1765 1 7 . 1 1 5 5 GLU CA C 5 55.959 55.959 57.117 -1.159 18237 1766 1 7 . 1 1 5 5 GLU CB C 5 30.034 30.034 31.563 -1.529 18237 1767 1 7 . 1 1 5 5 GLU H H 5 7.710 7.710 8.553 -0.843 18237 1768 1 7 . 1 1 6 6 ALA N N 6 131.546 131.546 125.545 6.001 18237 1769 1 7 . 1 1 6 6 ALA HA H 6 3.575 3.575 3.322 0.253 18237 1770 1 7 . 1 1 6 6 ALA CA C 6 50.959 50.959 49.643 1.316 18237 1771 1 7 . 1 1 6 6 ALA CB C 6 14.389 14.389 20.462 -6.073 18237 1772 1 7 . 1 1 6 6 ALA H H 6 8.338 8.338 8.032 0.306 18237 1773 1 7 . 1 1 8 8 ARG N N 8 126.915 126.915 120.025 6.890 18237 1774 1 7 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.542 -0.472 18237 1775 1 7 . 1 1 8 8 ARG C C 8 175.110 175.110 175.392 -0.282 18237 1776 1 7 . 1 1 8 8 ARG CA C 8 54.699 54.699 56.090 -1.391 18237 1777 1 7 . 1 1 8 8 ARG CB C 8 28.078 28.078 31.431 -3.353 18237 1778 1 7 . 1 1 8 8 ARG H H 8 8.725 8.725 8.354 0.371 18237 1779 1 7 . 1 1 9 9 ASP N N 9 123.653 123.653 124.911 -1.258 18237 1780 1 7 . 1 1 9 9 ASP C C 9 178.015 178.015 177.250 0.765 18237 1781 1 7 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.211 -1.464 18237 1782 1 7 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.236 -0.392 18237 1783 1 7 . 1 1 9 9 ASP H H 9 8.432 8.432 8.689 -0.257 18237 1784 1 7 . 1 1 10 10 GLY N N 10 111.908 111.908 107.937 3.971 18237 1785 1 7 . 1 1 10 10 GLY C C 10 174.822 174.822 174.808 0.014 18237 1786 1 7 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.016 0.228 18237 1787 1 7 . 1 1 10 10 GLY H H 10 9.727 9.727 8.625 1.102 18237 1788 1 7 . 1 1 11 11 GLN N N 11 118.395 118.395 120.477 -2.082 18237 1789 1 7 . 1 1 11 11 GLN C C 11 174.711 174.711 174.433 0.278 18237 1790 1 7 . 1 1 11 11 GLN CA C 11 53.398 53.398 54.757 -1.359 18237 1791 1 7 . 1 1 11 11 GLN CB C 11 30.306 30.306 30.356 -0.050 18237 1792 1 7 . 1 1 11 11 GLN H H 11 8.416 8.416 8.044 0.372 18237 1793 1 7 . 1 1 12 12 ALA N N 12 121.020 121.020 122.169 -1.149 18237 1794 1 7 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.177 0.766 18237 1795 1 7 . 1 1 12 12 ALA C C 12 177.990 177.990 175.152 2.838 18237 1796 1 7 . 1 1 12 12 ALA CA C 12 50.511 50.511 50.763 -0.252 18237 1797 1 7 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.828 -0.681 18237 1798 1 7 . 1 1 12 12 ALA H H 12 7.933 7.933 8.093 -0.160 18237 1799 1 7 . 1 1 13 13 TYR N N 13 121.755 121.755 119.132 2.623 18237 1800 1 7 . 1 1 13 13 TYR C C 13 175.519 175.519 174.591 0.928 18237 1801 1 7 . 1 1 13 13 TYR CA C 13 59.090 59.090 56.212 2.878 18237 1802 1 7 . 1 1 13 13 TYR CB C 13 43.180 43.180 41.181 1.999 18237 1803 1 7 . 1 1 13 13 TYR H H 13 9.575 9.575 8.148 1.427 18237 1804 1 7 . 1 1 14 14 VAL N N 14 112.251 112.251 120.922 -8.671 18237 1805 1 7 . 1 1 14 14 VAL C C 14 174.074 174.074 174.921 -0.847 18237 1806 1 7 . 1 1 14 14 VAL CA C 14 59.090 59.090 58.887 0.203 18237 1807 1 7 . 1 1 14 14 VAL CB C 14 32.750 32.750 34.743 -1.993 18237 1808 1 7 . 1 1 14 14 VAL H H 14 9.659 9.659 8.681 0.978 18237 1809 1 7 . 1 1 15 15 ARG N N 15 124.657 124.657 122.681 1.976 18237 1810 1 7 . 1 1 15 15 ARG C C 15 174.948 174.948 175.515 -0.567 18237 1811 1 7 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.970 -2.450 18237 1812 1 7 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.072 2.461 18237 1813 1 7 . 1 1 15 15 ARG H H 15 8.503 8.503 8.503 -0.000 18237 1814 1 7 . 1 1 16 16 LYS N N 16 128.240 128.240 125.676 2.564 18237 1815 1 7 . 1 1 16 16 LYS C C 16 175.974 175.974 175.419 0.555 18237 1816 1 7 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.864 -0.088 18237 1817 1 7 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.581 0.972 18237 1818 1 7 . 1 1 16 16 LYS H H 16 9.052 9.052 8.401 0.651 18237 1819 1 7 . 1 1 17 17 ASP N N 17 130.562 130.562 126.536 4.026 18237 1820 1 7 . 1 1 17 17 ASP C C 17 175.822 175.822 176.485 -0.663 18237 1821 1 7 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.776 1.671 18237 1822 1 7 . 1 1 17 17 ASP CB C 17 40.192 40.192 40.077 0.115 18237 1823 1 7 . 1 1 17 17 ASP H H 17 10.886 10.886 9.035 1.851 18237 1824 1 7 . 1 1 18 18 GLY N N 18 104.754 104.754 104.661 0.093 18237 1825 1 7 . 1 1 18 18 GLY C C 18 173.104 173.104 173.575 -0.471 18237 1826 1 7 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.542 -0.298 18237 1827 1 7 . 1 1 18 18 GLY H H 18 9.353 9.353 8.286 1.067 18237 1828 1 7 . 1 1 19 19 GLU N N 19 117.501 117.501 117.928 -0.427 18237 1829 1 7 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.309 0.339 18237 1830 1 7 . 1 1 19 19 GLU C C 19 176.166 176.166 174.738 1.428 18237 1831 1 7 . 1 1 19 19 GLU CA C 19 53.865 53.865 54.117 -0.252 18237 1832 1 7 . 1 1 19 19 GLU CB C 19 33.130 33.130 32.984 0.145 18237 1833 1 7 . 1 1 19 19 GLU H H 19 7.813 7.813 8.091 -0.278 18237 1834 1 7 . 1 1 20 20 TRP N N 20 122.768 122.768 123.009 -0.241 18237 1835 1 7 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.425 -0.758 18237 1836 1 7 . 1 1 20 20 TRP C C 20 176.302 176.302 176.110 0.192 18237 1837 1 7 . 1 1 20 20 TRP CA C 20 55.878 55.878 54.915 0.963 18237 1838 1 7 . 1 1 20 20 TRP CB C 20 29.545 29.545 28.977 0.568 18237 1839 1 7 . 1 1 20 20 TRP H H 20 9.094 9.094 7.346 1.748 18237 1840 1 7 . 1 1 21 21 VAL N N 21 123.071 123.071 125.033 -1.962 18237 1841 1 7 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.450 0.535 18237 1842 1 7 . 1 1 21 21 VAL C C 21 175.640 175.640 175.810 -0.170 18237 1843 1 7 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.602 -1.065 18237 1844 1 7 . 1 1 21 21 VAL CB C 21 34.651 34.651 33.990 0.661 18237 1845 1 7 . 1 1 21 21 VAL H H 21 9.868 9.868 8.262 1.606 18237 1846 1 7 . 1 1 22 22 LEU N N 22 127.193 127.193 129.784 -2.591 18237 1847 1 7 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.542 -0.120 18237 1848 1 7 . 1 1 22 22 LEU C C 22 179.268 179.268 179.034 0.234 18237 1849 1 7 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.464 0.170 18237 1850 1 7 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.395 -0.117 18237 1851 1 7 . 1 1 22 22 LEU H H 22 8.812 8.812 9.091 -0.279 18237 1852 1 7 . 1 1 23 23 LEU N N 23 126.386 126.386 124.931 1.455 18237 1853 1 7 . 1 1 23 23 LEU C C 23 178.844 178.844 178.623 0.221 18237 1854 1 7 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.006 -0.603 18237 1855 1 7 . 1 1 23 23 LEU CB C 23 41.061 41.061 41.200 -0.139 18237 1856 1 7 . 1 1 23 23 LEU H H 23 8.562 8.562 8.283 0.279 18237 1857 1 7 . 1 1 24 24 SER N N 24 113.100 113.100 115.121 -2.021 18237 1858 1 7 . 1 1 24 24 SER HA H 24 4.621 4.621 4.076 0.545 18237 1859 1 7 . 1 1 24 24 SER C C 24 176.676 176.676 176.506 0.170 18237 1860 1 7 . 1 1 24 24 SER CA C 24 60.960 60.960 61.449 -0.489 18237 1861 1 7 . 1 1 24 24 SER CB C 24 61.650 61.650 62.778 -1.127 18237 1862 1 7 . 1 1 24 24 SER H H 24 9.098 9.098 8.567 0.531 18237 1863 1 7 . 1 1 25 25 THR N N 25 116.715 116.715 117.260 -0.545 18237 1864 1 7 . 1 1 25 25 THR HA H 25 3.915 3.915 4.045 -0.130 18237 1865 1 7 . 1 1 25 25 THR CA C 25 64.599 64.599 65.657 -1.058 18237 1866 1 7 . 1 1 25 25 THR CB C 25 68.657 68.657 69.001 -0.344 18237 1867 1 7 . 1 1 25 25 THR H H 25 7.238 7.238 8.080 -0.842 18237 1868 1 7 . 1 1 26 26 PHE N N 26 118.488 118.488 118.116 0.372 18237 1869 1 7 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.412 -0.302 18237 1870 1 7 . 1 1 26 26 PHE C C 26 176.181 176.181 176.496 -0.315 18237 1871 1 7 . 1 1 26 26 PHE CA C 26 58.627 58.627 60.211 -1.584 18237 1872 1 7 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.525 0.268 18237 1873 1 7 . 1 1 26 26 PHE H H 26 7.945 7.945 8.226 -0.281 18237 1874 1 7 . 1 1 27 27 LEU N N 27 118.525 118.525 118.756 -0.231 18237 1875 1 7 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.238 0.285 18237 1876 1 7 . 1 1 27 27 LEU C C 27 177.752 177.752 177.411 0.341 18237 1877 1 7 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.105 -0.426 18237 1878 1 7 . 1 1 27 27 LEU CB C 27 41.333 41.333 41.812 -0.479 18237 1879 1 7 . 1 1 27 27 LEU H H 27 7.290 7.290 7.589 -0.299 18237 1880 1 7 . 1 1 28 28 GLY N N 28 108.823 108.823 106.928 1.895 18237 1881 1 7 . 1 1 28 28 GLY C C 28 174.630 174.630 174.481 0.149 18237 1882 1 7 . 1 1 28 28 GLY CA C 28 45.374 45.374 46.321 -0.947 18237 1883 1 7 . 1 1 28 28 GLY H H 28 8.242 8.242 7.562 0.680 18237 1884 1 7 . 1 1 29 29 SER N N 29 116.210 116.210 115.501 0.709 18237 1885 1 7 . 1 1 29 29 SER HA H 29 4.626 4.626 4.634 -0.008 18237 1886 1 7 . 1 1 29 29 SER C C 29 175.312 175.312 172.847 2.465 18237 1887 1 7 . 1 1 29 29 SER CA C 29 57.992 57.992 57.894 0.098 18237 1888 1 7 . 1 1 29 29 SER CB C 29 63.605 63.605 64.331 -0.726 18237 1889 1 7 . 1 1 29 29 SER H H 29 8.310 8.310 8.134 0.176 18237 1890 1 7 . 1 1 30 30 SER N N 30 118.892 118.892 117.579 1.313 18237 1891 1 7 . 1 1 30 30 SER HA H 30 4.597 4.597 4.562 0.035 18237 1892 1 7 . 1 1 30 30 SER C C 30 175.479 175.479 175.643 -0.164 18237 1893 1 7 . 1 1 30 30 SER CA C 30 58.582 58.582 58.486 0.096 18237 1894 1 7 . 1 1 30 30 SER CB C 30 63.605 63.605 64.215 -0.610 18237 1895 1 7 . 1 1 30 30 SER H H 30 8.593 8.593 8.160 0.433 18237 1896 1 7 . 1 1 31 31 GLY N N 31 111.354 111.354 112.273 -0.919 18237 1897 1 7 . 1 1 31 31 GLY C C 31 174.428 174.428 175.520 -1.092 18237 1898 1 7 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.674 -0.218 18237 1899 1 7 . 1 1 31 31 GLY H H 31 8.584 8.584 8.566 0.018 18237 1900 1 7 . 1 1 32 32 ASN N N 32 119.486 119.486 119.063 0.423 18237 1901 1 7 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.627 0.190 18237 1902 1 7 . 1 1 32 32 ASN C C 32 175.928 175.928 176.759 -0.831 18237 1903 1 7 . 1 1 32 32 ASN CA C 32 53.215 53.215 54.086 -0.871 18237 1904 1 7 . 1 1 32 32 ASN CB C 32 38.780 38.780 38.128 0.652 18237 1905 1 7 . 1 1 32 32 ASN H H 32 8.393 8.393 8.452 -0.059 18237 1906 1 7 . 1 1 33 33 GLU N N 33 122.031 122.031 120.427 1.604 18237 1907 1 7 . 1 1 33 33 GLU HA H 33 4.271 4.271 4.020 0.251 18237 1908 1 7 . 1 1 33 33 GLU CA C 33 57.426 57.426 59.652 -2.226 18237 1909 1 7 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.413 -0.085 18237 1910 1 7 . 1 1 33 33 GLU H H 33 8.711 8.711 8.791 -0.080 18237 1911 1 7 . 1 1 34 34 GLN N N 34 120.866 120.866 116.759 4.107 18237 1912 1 7 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.079 0.192 18237 1913 1 7 . 1 1 34 34 GLN CA C 34 56.226 56.226 58.659 -2.433 18237 1914 1 7 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.107 0.732 18237 1915 1 7 . 1 1 34 34 GLN H H 34 8.438 8.438 7.959 0.479 18237 1916 1 7 . 1 1 35 35 GLU N N 35 122.323 122.323 121.574 0.749 18237 1917 1 7 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.210 0.109 18237 1918 1 7 . 1 1 35 35 GLU C C 35 177.176 177.176 178.701 -1.525 18237 1919 1 7 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.651 -1.655 18237 1920 1 7 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.193 0.352 18237 1921 1 7 . 1 1 35 35 GLU H H 35 8.424 8.424 7.360 1.064 18237 1922 1 7 . 1 1 36 36 LEU N N 36 122.904 122.904 118.870 4.034 18237 1923 1 7 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.063 0.256 18237 1924 1 7 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.468 -1.570 18237 1925 1 7 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.507 -0.011 18237 1926 1 7 . 1 1 36 36 LEU H H 36 8.342 8.342 7.617 0.725 18237 1927 1 7 . 1 1 38 38 GLU N N 38 121.931 121.931 120.580 1.351 18237 1928 1 7 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.161 0.235 18237 1929 1 7 . 1 1 38 38 GLU C C 38 177.318 177.318 178.654 -1.336 18237 1930 1 7 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.077 -2.711 18237 1931 1 7 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.699 -0.371 18237 1932 1 7 . 1 1 38 38 GLU H H 38 8.342 8.342 7.715 0.627 18237 1933 1 7 . 1 1 39 39 LEU N N 39 123.317 123.317 118.100 5.217 18237 1934 1 7 . 1 1 39 39 LEU HA H 39 4.348 4.348 3.732 0.616 18237 1935 1 7 . 1 1 39 39 LEU CA C 39 56.833 56.833 57.386 -0.553 18237 1936 1 7 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.973 -0.586 18237 1937 1 7 . 1 1 39 39 LEU H H 39 8.342 8.342 8.382 -0.040 18237 1938 1 7 . 1 1 40 40 ASP N N 40 119.726 119.726 116.697 3.029 18237 1939 1 7 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.501 0.070 18237 1940 1 7 . 1 1 40 40 ASP CA C 40 55.589 55.589 56.142 -0.553 18237 1941 1 7 . 1 1 40 40 ASP H H 40 8.530 8.530 7.472 1.058 18237 1942 1 7 . 1 1 41 41 LYS N N 41 121.200 121.200 120.512 0.688 18237 1943 1 7 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.232 -0.068 18237 1944 1 7 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.813 -0.593 18237 1945 1 7 . 1 1 41 41 LYS H H 41 8.145 8.145 7.826 0.319 18237 1946 1 7 . 1 1 42 42 TRP N N 42 120.615 120.615 119.805 0.810 18237 1947 1 7 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.484 0.113 18237 1948 1 7 . 1 1 42 42 TRP C C 42 177.641 177.641 177.789 -0.148 18237 1949 1 7 . 1 1 42 42 TRP CA C 42 58.561 58.561 59.076 -0.515 18237 1950 1 7 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.406 0.433 18237 1951 1 7 . 1 1 42 42 TRP H H 42 8.025 8.025 7.832 0.193 18237 1952 1 7 . 1 1 43 43 ALA N N 43 122.056 122.056 123.018 -0.962 18237 1953 1 7 . 1 1 43 43 ALA HA H 43 4.140 4.140 3.711 0.429 18237 1954 1 7 . 1 1 43 43 ALA C C 43 172.776 172.776 179.440 -6.664 18237 1955 1 7 . 1 1 43 43 ALA CA C 43 54.864 54.864 54.319 0.545 18237 1956 1 7 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.299 0.675 18237 1957 1 7 . 1 1 43 43 ALA H H 43 8.199 8.199 7.512 0.687 18237 1958 1 7 . 1 1 44 44 SER N N 44 113.378 113.378 115.596 -2.218 18237 1959 1 7 . 1 1 44 44 SER HA H 44 4.376 4.376 4.195 0.181 18237 1960 1 7 . 1 1 44 44 SER C C 44 176.767 176.767 176.576 0.191 18237 1961 1 7 . 1 1 44 44 SER CA C 44 60.980 60.980 62.892 -1.912 18237 1962 1 7 . 1 1 44 44 SER CB C 44 62.410 62.410 63.118 -0.708 18237 1963 1 7 . 1 1 44 44 SER H H 44 8.210 8.210 7.819 0.391 18237 1964 1 7 . 1 1 45 45 LEU N N 45 123.425 123.425 121.684 1.741 18237 1965 1 7 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.389 -0.195 18237 1966 1 7 . 1 1 45 45 LEU CA C 45 57.606 57.606 58.383 -0.777 18237 1967 1 7 . 1 1 45 45 LEU CB C 45 41.170 41.170 42.035 -0.865 18237 1968 1 7 . 1 1 45 45 LEU H H 45 7.906 7.906 8.159 -0.253 18237 1969 1 7 . 1 1 46 46 TRP N N 46 118.572 118.572 121.351 -2.779 18237 1970 1 7 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.385 0.270 18237 1971 1 7 . 1 1 46 46 TRP C C 46 177.838 177.838 178.061 -0.223 18237 1972 1 7 . 1 1 46 46 TRP CA C 46 58.907 58.907 60.825 -1.918 18237 1973 1 7 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.457 -0.238 18237 1974 1 7 . 1 1 46 46 TRP H H 46 8.043 8.043 7.969 0.074 18237 1975 1 7 . 1 1 47 47 ASN N N 47 116.564 116.564 116.326 0.238 18237 1976 1 7 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.452 0.174 18237 1977 1 7 . 1 1 47 47 ASN C C 47 176.904 176.904 177.054 -0.150 18237 1978 1 7 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.299 -0.254 18237 1979 1 7 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.664 -0.102 18237 1980 1 7 . 1 1 47 47 ASN H H 47 8.174 8.174 8.898 -0.724 18237 1981 1 7 . 1 1 48 48 TRP N N 48 121.421 121.421 121.795 -0.374 18237 1982 1 7 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.573 -0.206 18237 1983 1 7 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.693 0.824 18237 1984 1 7 . 1 1 48 48 TRP CB C 48 28.893 28.893 29.362 -0.469 18237 1985 1 7 . 1 1 48 48 TRP H H 48 8.145 8.145 7.948 0.197 18237 1986 1 7 . 1 1 49 49 PHE N N 49 118.299 118.299 119.595 -1.296 18237 1987 1 7 . 1 1 49 49 PHE HA H 49 4.252 4.252 3.478 0.774 18237 1988 1 7 . 1 1 49 49 PHE C C 49 175.565 175.565 176.157 -0.592 18237 1989 1 7 . 1 1 49 49 PHE CA C 49 58.887 58.887 59.902 -1.015 18237 1990 1 7 . 1 1 49 49 PHE CB C 49 38.671 38.671 37.675 0.996 18237 1991 1 7 . 1 1 49 49 PHE H H 49 8.036 8.036 8.002 0.034 18237 1992 1 7 . 1 1 50 50 ASN N N 50 118.836 118.836 119.541 -0.705 18237 1993 1 7 . 1 1 50 50 ASN HA H 50 4.626 4.626 3.969 0.657 18237 1994 1 7 . 1 1 50 50 ASN C C 50 176.439 176.439 176.571 -0.132 18237 1995 1 7 . 1 1 50 50 ASN CA C 50 53.215 53.215 55.260 -2.045 18237 1996 1 7 . 1 1 50 50 ASN CB C 50 38.128 38.128 38.344 -0.217 18237 1997 1 7 . 1 1 50 50 ASN H H 50 7.795 7.795 7.385 0.410 18237 1998 1 7 . 1 1 51 51 ILE N N 51 120.218 120.218 116.766 3.452 18237 1999 1 7 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.866 -0.075 18237 2000 1 7 . 1 1 51 51 ILE C C 51 177.202 177.202 177.198 0.004 18237 2001 1 7 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.945 -1.843 18237 2002 1 7 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.254 0.113 18237 2003 1 7 . 1 1 51 51 ILE H H 51 8.147 8.147 7.311 0.836 18237 2004 1 7 . 1 1 52 52 THR N N 52 115.352 115.352 113.886 1.466 18237 2005 1 7 . 1 1 52 52 THR HA H 52 4.031 4.031 4.101 -0.070 18237 2006 1 7 . 1 1 52 52 THR C C 52 176.095 176.095 175.855 0.240 18237 2007 1 7 . 1 1 52 52 THR CA C 52 65.148 65.148 64.916 0.232 18237 2008 1 7 . 1 1 52 52 THR CB C 52 68.277 68.277 68.470 -0.193 18237 2009 1 7 . 1 1 52 52 THR H H 52 8.009 8.009 7.421 0.588 18237 2010 1 7 . 1 1 53 53 ASN N N 53 119.874 119.874 121.503 -1.629 18237 2011 1 7 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.196 0.440 18237 2012 1 7 . 1 1 53 53 ASN C C 53 176.530 176.530 176.602 -0.072 18237 2013 1 7 . 1 1 53 53 ASN CA C 53 54.457 54.457 55.434 -0.978 18237 2014 1 7 . 1 1 53 53 ASN CB C 53 37.802 37.802 37.501 0.301 18237 2015 1 7 . 1 1 53 53 ASN H H 53 7.972 7.972 7.218 0.754 18237 2016 1 7 . 1 1 54 54 TRP N N 54 120.192 120.192 118.882 1.310 18237 2017 1 7 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.624 0.031 18237 2018 1 7 . 1 1 54 54 TRP CA C 54 58.643 58.643 58.138 0.505 18237 2019 1 7 . 1 1 54 54 TRP CB C 54 29.165 29.165 29.233 -0.068 18237 2020 1 7 . 1 1 54 54 TRP H H 54 7.897 7.897 7.013 0.884 18237 2021 1 7 . 1 1 55 55 LEU N N 55 118.354 118.354 123.581 -5.227 18237 2022 1 7 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.964 0.124 18237 2023 1 7 . 1 1 55 55 LEU C C 55 177.975 177.975 178.424 -0.449 18237 2024 1 7 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.569 -2.099 18237 2025 1 7 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.926 -1.028 18237 2026 1 7 . 1 1 55 55 LEU H H 55 7.931 7.931 7.668 0.263 18237 2027 1 7 . 1 1 56 56 TRP N N 56 118.335 118.335 116.304 2.031 18237 2028 1 7 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.270 0.097 18237 2029 1 7 . 1 1 56 56 TRP C C 56 176.863 176.863 178.249 -1.386 18237 2030 1 7 . 1 1 56 56 TRP CA C 56 59.070 59.070 61.034 -1.964 18237 2031 1 7 . 1 1 56 56 TRP CB C 56 28.839 28.839 28.770 0.069 18237 2032 1 7 . 1 1 56 56 TRP H H 56 7.665 7.665 7.852 -0.187 18237 2033 1 7 . 1 1 57 57 TYR N N 57 116.808 116.808 118.797 -1.989 18237 2034 1 7 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.270 -0.098 18237 2035 1 7 . 1 1 57 57 TYR C C 57 176.085 176.085 177.501 -1.416 18237 2036 1 7 . 1 1 57 57 TYR CA C 57 59.865 59.865 61.687 -1.822 18237 2037 1 7 . 1 1 57 57 TYR CB C 57 38.563 38.563 39.387 -0.824 18237 2038 1 7 . 1 1 57 57 TYR H H 57 7.578 7.578 8.058 -0.480 18237 2039 1 7 . 1 1 58 58 ILE N N 58 115.526 115.526 115.924 -0.398 18237 2040 1 7 . 1 1 58 58 ILE HA H 58 4.265 4.265 4.185 0.080 18237 2041 1 7 . 1 1 58 58 ILE C C 58 174.782 174.782 175.395 -0.613 18237 2042 1 7 . 1 1 58 58 ILE CA C 58 60.940 60.940 60.852 0.088 18237 2043 1 7 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.673 -0.491 18237 2044 1 7 . 1 1 58 58 ILE H H 58 7.586 7.586 7.710 -0.124 18237 2045 1 8 . 1 1 2 2 TYR N N 2 120.470 120.470 119.908 0.562 18237 2046 1 8 . 1 1 2 2 TYR C C 2 176.535 176.535 175.755 0.780 18237 2047 1 8 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.560 -1.565 18237 2048 1 8 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.182 -1.869 18237 2049 1 8 . 1 1 2 2 TYR H H 2 7.951 7.951 8.125 -0.174 18237 2050 1 8 . 1 1 3 3 ILE N N 3 118.307 118.307 119.266 -0.959 18237 2051 1 8 . 1 1 3 3 ILE CA C 3 58.968 58.968 61.718 -2.750 18237 2052 1 8 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.585 1.489 18237 2053 1 8 . 1 1 3 3 ILE H H 3 8.381 8.381 7.979 0.402 18237 2054 1 8 . 1 1 5 5 GLU N N 5 118.785 118.785 123.261 -4.476 18237 2055 1 8 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.344 -0.089 18237 2056 1 8 . 1 1 5 5 GLU C C 5 176.267 176.267 174.007 2.260 18237 2057 1 8 . 1 1 5 5 GLU CA C 5 55.959 55.959 57.153 -1.194 18237 2058 1 8 . 1 1 5 5 GLU CB C 5 30.034 30.034 31.095 -1.061 18237 2059 1 8 . 1 1 5 5 GLU H H 5 7.710 7.710 8.422 -0.712 18237 2060 1 8 . 1 1 6 6 ALA N N 6 131.546 131.546 127.071 4.475 18237 2061 1 8 . 1 1 6 6 ALA HA H 6 3.575 3.575 3.884 -0.309 18237 2062 1 8 . 1 1 6 6 ALA CA C 6 50.959 50.959 49.142 1.817 18237 2063 1 8 . 1 1 6 6 ALA CB C 6 14.389 14.389 19.003 -4.614 18237 2064 1 8 . 1 1 6 6 ALA H H 6 8.338 8.338 7.998 0.340 18237 2065 1 8 . 1 1 8 8 ARG N N 8 126.915 126.915 121.438 5.477 18237 2066 1 8 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.537 -0.467 18237 2067 1 8 . 1 1 8 8 ARG C C 8 175.110 175.110 175.359 -0.249 18237 2068 1 8 . 1 1 8 8 ARG CA C 8 54.699 54.699 56.018 -1.319 18237 2069 1 8 . 1 1 8 8 ARG CB C 8 28.078 28.078 31.178 -3.100 18237 2070 1 8 . 1 1 8 8 ARG H H 8 8.725 8.725 8.457 0.268 18237 2071 1 8 . 1 1 9 9 ASP N N 9 123.653 123.653 124.880 -1.227 18237 2072 1 8 . 1 1 9 9 ASP C C 9 178.015 178.015 177.236 0.779 18237 2073 1 8 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.360 -1.613 18237 2074 1 8 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.653 -0.808 18237 2075 1 8 . 1 1 9 9 ASP H H 9 8.432 8.432 8.659 -0.227 18237 2076 1 8 . 1 1 10 10 GLY N N 10 111.908 111.908 108.666 3.242 18237 2077 1 8 . 1 1 10 10 GLY C C 10 174.822 174.822 174.735 0.087 18237 2078 1 8 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.036 0.208 18237 2079 1 8 . 1 1 10 10 GLY H H 10 9.727 9.727 8.626 1.101 18237 2080 1 8 . 1 1 11 11 GLN N N 11 118.395 118.395 118.982 -0.587 18237 2081 1 8 . 1 1 11 11 GLN C C 11 174.711 174.711 173.993 0.718 18237 2082 1 8 . 1 1 11 11 GLN CA C 11 53.398 53.398 54.758 -1.360 18237 2083 1 8 . 1 1 11 11 GLN CB C 11 30.306 30.306 29.774 0.532 18237 2084 1 8 . 1 1 11 11 GLN H H 11 8.416 8.416 7.720 0.696 18237 2085 1 8 . 1 1 12 12 ALA N N 12 121.020 121.020 122.708 -1.688 18237 2086 1 8 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.214 0.729 18237 2087 1 8 . 1 1 12 12 ALA C C 12 177.990 177.990 175.148 2.842 18237 2088 1 8 . 1 1 12 12 ALA CA C 12 50.511 50.511 50.963 -0.452 18237 2089 1 8 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.899 -0.753 18237 2090 1 8 . 1 1 12 12 ALA H H 12 7.933 7.933 8.140 -0.207 18237 2091 1 8 . 1 1 13 13 TYR N N 13 121.755 121.755 119.343 2.412 18237 2092 1 8 . 1 1 13 13 TYR C C 13 175.519 175.519 174.641 0.878 18237 2093 1 8 . 1 1 13 13 TYR CA C 13 59.090 59.090 56.357 2.733 18237 2094 1 8 . 1 1 13 13 TYR CB C 13 43.180 43.180 41.058 2.122 18237 2095 1 8 . 1 1 13 13 TYR H H 13 9.575 9.575 8.194 1.381 18237 2096 1 8 . 1 1 14 14 VAL N N 14 112.251 112.251 120.225 -7.974 18237 2097 1 8 . 1 1 14 14 VAL C C 14 174.074 174.074 174.821 -0.747 18237 2098 1 8 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.236 -0.146 18237 2099 1 8 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.176 -2.426 18237 2100 1 8 . 1 1 14 14 VAL H H 14 9.659 9.659 8.769 0.890 18237 2101 1 8 . 1 1 15 15 ARG N N 15 124.657 124.657 122.380 2.277 18237 2102 1 8 . 1 1 15 15 ARG C C 15 174.948 174.948 175.321 -0.373 18237 2103 1 8 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.492 -1.972 18237 2104 1 8 . 1 1 15 15 ARG CB C 15 32.533 32.533 29.869 2.663 18237 2105 1 8 . 1 1 15 15 ARG H H 15 8.503 8.503 8.519 -0.016 18237 2106 1 8 . 1 1 16 16 LYS N N 16 128.240 128.240 125.598 2.642 18237 2107 1 8 . 1 1 16 16 LYS C C 16 175.974 175.974 175.415 0.559 18237 2108 1 8 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.772 0.005 18237 2109 1 8 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.632 0.921 18237 2110 1 8 . 1 1 16 16 LYS H H 16 9.052 9.052 8.590 0.462 18237 2111 1 8 . 1 1 17 17 ASP N N 17 130.562 130.562 126.791 3.771 18237 2112 1 8 . 1 1 17 17 ASP C C 17 175.822 175.822 176.378 -0.556 18237 2113 1 8 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.751 1.696 18237 2114 1 8 . 1 1 17 17 ASP CB C 17 40.192 40.192 40.124 0.068 18237 2115 1 8 . 1 1 17 17 ASP H H 17 10.886 10.886 9.014 1.872 18237 2116 1 8 . 1 1 18 18 GLY N N 18 104.754 104.754 104.931 -0.177 18237 2117 1 8 . 1 1 18 18 GLY C C 18 173.104 173.104 173.484 -0.380 18237 2118 1 8 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.427 -0.183 18237 2119 1 8 . 1 1 18 18 GLY H H 18 9.353 9.353 8.241 1.112 18237 2120 1 8 . 1 1 19 19 GLU N N 19 117.501 117.501 117.520 -0.019 18237 2121 1 8 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.174 0.474 18237 2122 1 8 . 1 1 19 19 GLU C C 19 176.166 176.166 174.402 1.764 18237 2123 1 8 . 1 1 19 19 GLU CA C 19 53.865 53.865 54.062 -0.197 18237 2124 1 8 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.937 -0.806 18237 2125 1 8 . 1 1 19 19 GLU H H 19 7.813 7.813 7.886 -0.073 18237 2126 1 8 . 1 1 20 20 TRP N N 20 122.768 122.768 122.416 0.352 18237 2127 1 8 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.468 -0.801 18237 2128 1 8 . 1 1 20 20 TRP C C 20 176.302 176.302 176.681 -0.379 18237 2129 1 8 . 1 1 20 20 TRP CA C 20 55.878 55.878 56.437 -0.559 18237 2130 1 8 . 1 1 20 20 TRP CB C 20 29.545 29.545 30.270 -0.725 18237 2131 1 8 . 1 1 20 20 TRP H H 20 9.094 9.094 8.205 0.889 18237 2132 1 8 . 1 1 21 21 VAL N N 21 123.071 123.071 124.514 -1.443 18237 2133 1 8 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.540 0.445 18237 2134 1 8 . 1 1 21 21 VAL C C 21 175.640 175.640 175.765 -0.125 18237 2135 1 8 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.844 -1.307 18237 2136 1 8 . 1 1 21 21 VAL CB C 21 34.651 34.651 34.707 -0.056 18237 2137 1 8 . 1 1 21 21 VAL H H 21 9.868 9.868 8.580 1.288 18237 2138 1 8 . 1 1 22 22 LEU N N 22 127.193 127.193 129.382 -2.189 18237 2139 1 8 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.492 -0.070 18237 2140 1 8 . 1 1 22 22 LEU C C 22 179.268 179.268 178.797 0.471 18237 2141 1 8 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.901 -0.267 18237 2142 1 8 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.535 -0.256 18237 2143 1 8 . 1 1 22 22 LEU H H 22 8.812 8.812 9.028 -0.216 18237 2144 1 8 . 1 1 23 23 LEU N N 23 126.386 126.386 128.613 -2.227 18237 2145 1 8 . 1 1 23 23 LEU C C 23 178.844 178.844 178.585 0.259 18237 2146 1 8 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.389 -0.986 18237 2147 1 8 . 1 1 23 23 LEU CB C 23 41.061 41.061 42.126 -1.065 18237 2148 1 8 . 1 1 23 23 LEU H H 23 8.562 8.562 8.287 0.275 18237 2149 1 8 . 1 1 24 24 SER N N 24 113.100 113.100 114.094 -0.994 18237 2150 1 8 . 1 1 24 24 SER HA H 24 4.621 4.621 4.114 0.507 18237 2151 1 8 . 1 1 24 24 SER C C 24 176.676 176.676 176.313 0.363 18237 2152 1 8 . 1 1 24 24 SER CA C 24 60.960 60.960 62.221 -1.262 18237 2153 1 8 . 1 1 24 24 SER CB C 24 61.650 61.650 62.240 -0.590 18237 2154 1 8 . 1 1 24 24 SER H H 24 9.098 9.098 8.659 0.439 18237 2155 1 8 . 1 1 25 25 THR N N 25 116.715 116.715 118.610 -1.895 18237 2156 1 8 . 1 1 25 25 THR HA H 25 3.915 3.915 4.082 -0.167 18237 2157 1 8 . 1 1 25 25 THR CA C 25 64.599 64.599 66.117 -1.518 18237 2158 1 8 . 1 1 25 25 THR CB C 25 68.657 68.657 68.721 -0.064 18237 2159 1 8 . 1 1 25 25 THR H H 25 7.238 7.238 8.155 -0.917 18237 2160 1 8 . 1 1 26 26 PHE N N 26 118.488 118.488 119.919 -1.431 18237 2161 1 8 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.383 -0.273 18237 2162 1 8 . 1 1 26 26 PHE C C 26 176.181 176.181 176.622 -0.441 18237 2163 1 8 . 1 1 26 26 PHE CA C 26 58.627 58.627 60.630 -2.003 18237 2164 1 8 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.364 0.429 18237 2165 1 8 . 1 1 26 26 PHE H H 26 7.945 7.945 8.432 -0.487 18237 2166 1 8 . 1 1 27 27 LEU N N 27 118.525 118.525 119.734 -1.209 18237 2167 1 8 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.299 0.224 18237 2168 1 8 . 1 1 27 27 LEU C C 27 177.752 177.752 177.941 -0.189 18237 2169 1 8 . 1 1 27 27 LEU CA C 27 54.679 54.679 56.117 -1.438 18237 2170 1 8 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.563 -1.230 18237 2171 1 8 . 1 1 27 27 LEU H H 27 7.290 7.290 7.667 -0.377 18237 2172 1 8 . 1 1 28 28 GLY N N 28 108.823 108.823 105.521 3.302 18237 2173 1 8 . 1 1 28 28 GLY C C 28 174.630 174.630 174.411 0.219 18237 2174 1 8 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.863 0.511 18237 2175 1 8 . 1 1 28 28 GLY H H 28 8.242 8.242 7.861 0.381 18237 2176 1 8 . 1 1 29 29 SER N N 29 116.210 116.210 115.617 0.593 18237 2177 1 8 . 1 1 29 29 SER HA H 29 4.626 4.626 4.503 0.123 18237 2178 1 8 . 1 1 29 29 SER C C 29 175.312 175.312 174.639 0.673 18237 2179 1 8 . 1 1 29 29 SER CA C 29 57.992 57.992 58.418 -0.426 18237 2180 1 8 . 1 1 29 29 SER CB C 29 63.605 63.605 64.508 -0.903 18237 2181 1 8 . 1 1 29 29 SER H H 29 8.310 8.310 7.602 0.708 18237 2182 1 8 . 1 1 30 30 SER N N 30 118.892 118.892 113.099 5.793 18237 2183 1 8 . 1 1 30 30 SER HA H 30 4.597 4.597 4.245 0.352 18237 2184 1 8 . 1 1 30 30 SER C C 30 175.479 175.479 173.685 1.794 18237 2185 1 8 . 1 1 30 30 SER CA C 30 58.582 58.582 59.661 -1.079 18237 2186 1 8 . 1 1 30 30 SER CB C 30 63.605 63.605 62.934 0.671 18237 2187 1 8 . 1 1 30 30 SER H H 30 8.593 8.593 8.880 -0.287 18237 2188 1 8 . 1 1 31 31 GLY N N 31 111.354 111.354 106.221 5.133 18237 2189 1 8 . 1 1 31 31 GLY C C 31 174.428 174.428 173.638 0.790 18237 2190 1 8 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.201 0.255 18237 2191 1 8 . 1 1 31 31 GLY H H 31 8.584 8.584 8.042 0.542 18237 2192 1 8 . 1 1 32 32 ASN N N 32 119.486 119.486 117.081 2.405 18237 2193 1 8 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.751 0.066 18237 2194 1 8 . 1 1 32 32 ASN C C 32 175.928 175.928 175.595 0.333 18237 2195 1 8 . 1 1 32 32 ASN CA C 32 53.215 53.215 53.412 -0.197 18237 2196 1 8 . 1 1 32 32 ASN CB C 32 38.780 38.780 39.749 -0.969 18237 2197 1 8 . 1 1 32 32 ASN H H 32 8.393 8.393 8.217 0.176 18237 2198 1 8 . 1 1 33 33 GLU N N 33 122.031 122.031 120.556 1.475 18237 2199 1 8 . 1 1 33 33 GLU HA H 33 4.271 4.271 4.018 0.253 18237 2200 1 8 . 1 1 33 33 GLU CA C 33 57.426 57.426 59.306 -1.880 18237 2201 1 8 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.113 0.215 18237 2202 1 8 . 1 1 33 33 GLU H H 33 8.711 8.711 8.678 0.033 18237 2203 1 8 . 1 1 34 34 GLN N N 34 120.866 120.866 118.324 2.542 18237 2204 1 8 . 1 1 34 34 GLN HA H 34 4.271 4.271 3.976 0.295 18237 2205 1 8 . 1 1 34 34 GLN CA C 34 56.226 56.226 59.276 -3.050 18237 2206 1 8 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.406 0.433 18237 2207 1 8 . 1 1 34 34 GLN H H 34 8.438 8.438 8.321 0.117 18237 2208 1 8 . 1 1 35 35 GLU N N 35 122.323 122.323 118.903 3.420 18237 2209 1 8 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.168 0.151 18237 2210 1 8 . 1 1 35 35 GLU C C 35 177.176 177.176 179.100 -1.924 18237 2211 1 8 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.803 -1.807 18237 2212 1 8 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.452 0.093 18237 2213 1 8 . 1 1 35 35 GLU H H 35 8.424 8.424 7.855 0.569 18237 2214 1 8 . 1 1 36 36 LEU N N 36 122.904 122.904 119.410 3.494 18237 2215 1 8 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.177 0.142 18237 2216 1 8 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.391 -1.493 18237 2217 1 8 . 1 1 36 36 LEU CB C 36 41.496 41.496 42.244 -0.748 18237 2218 1 8 . 1 1 36 36 LEU H H 36 8.342 8.342 7.360 0.982 18237 2219 1 8 . 1 1 38 38 GLU N N 38 121.931 121.931 120.832 1.099 18237 2220 1 8 . 1 1 38 38 GLU HA H 38 4.396 4.396 3.948 0.448 18237 2221 1 8 . 1 1 38 38 GLU C C 38 177.318 177.318 178.417 -1.099 18237 2222 1 8 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.477 -3.111 18237 2223 1 8 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.349 -0.021 18237 2224 1 8 . 1 1 38 38 GLU H H 38 8.342 8.342 7.865 0.477 18237 2225 1 8 . 1 1 39 39 LEU N N 39 123.317 123.317 120.425 2.892 18237 2226 1 8 . 1 1 39 39 LEU HA H 39 4.348 4.348 4.191 0.157 18237 2227 1 8 . 1 1 39 39 LEU CA C 39 56.833 56.833 59.032 -2.199 18237 2228 1 8 . 1 1 39 39 LEU CB C 39 41.387 41.387 42.060 -0.673 18237 2229 1 8 . 1 1 39 39 LEU H H 39 8.342 8.342 8.084 0.258 18237 2230 1 8 . 1 1 40 40 ASP N N 40 119.726 119.726 117.009 2.717 18237 2231 1 8 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.366 0.205 18237 2232 1 8 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.911 -2.322 18237 2233 1 8 . 1 1 40 40 ASP H H 40 8.530 8.530 8.680 -0.150 18237 2234 1 8 . 1 1 41 41 LYS N N 41 121.200 121.200 120.855 0.345 18237 2235 1 8 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.135 0.029 18237 2236 1 8 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.623 -0.403 18237 2237 1 8 . 1 1 41 41 LYS H H 41 8.145 8.145 7.830 0.315 18237 2238 1 8 . 1 1 42 42 TRP N N 42 120.615 120.615 120.061 0.554 18237 2239 1 8 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.292 0.305 18237 2240 1 8 . 1 1 42 42 TRP C C 42 177.641 177.641 178.580 -0.939 18237 2241 1 8 . 1 1 42 42 TRP CA C 42 58.561 58.561 60.049 -1.488 18237 2242 1 8 . 1 1 42 42 TRP CB C 42 28.839 28.839 29.153 -0.314 18237 2243 1 8 . 1 1 42 42 TRP H H 42 8.025 8.025 8.167 -0.142 18237 2244 1 8 . 1 1 43 43 ALA N N 43 122.056 122.056 120.473 1.583 18237 2245 1 8 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.234 -0.094 18237 2246 1 8 . 1 1 43 43 ALA C C 43 172.776 172.776 179.872 -7.096 18237 2247 1 8 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.519 -0.655 18237 2248 1 8 . 1 1 43 43 ALA CB C 43 17.974 17.974 18.071 -0.097 18237 2249 1 8 . 1 1 43 43 ALA H H 43 8.199 8.199 8.576 -0.377 18237 2250 1 8 . 1 1 44 44 SER N N 44 113.378 113.378 115.634 -2.256 18237 2251 1 8 . 1 1 44 44 SER HA H 44 4.376 4.376 4.243 0.133 18237 2252 1 8 . 1 1 44 44 SER C C 44 176.767 176.767 177.036 -0.269 18237 2253 1 8 . 1 1 44 44 SER CA C 44 60.980 60.980 62.137 -1.157 18237 2254 1 8 . 1 1 44 44 SER CB C 44 62.410 62.410 62.763 -0.353 18237 2255 1 8 . 1 1 44 44 SER H H 44 8.210 8.210 7.765 0.445 18237 2256 1 8 . 1 1 45 45 LEU N N 45 123.425 123.425 121.881 1.544 18237 2257 1 8 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.282 -0.088 18237 2258 1 8 . 1 1 45 45 LEU CA C 45 57.606 57.606 58.043 -0.437 18237 2259 1 8 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.953 -0.783 18237 2260 1 8 . 1 1 45 45 LEU H H 45 7.906 7.906 7.462 0.444 18237 2261 1 8 . 1 1 46 46 TRP N N 46 118.572 118.572 120.628 -2.056 18237 2262 1 8 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.415 0.240 18237 2263 1 8 . 1 1 46 46 TRP C C 46 177.838 177.838 178.473 -0.635 18237 2264 1 8 . 1 1 46 46 TRP CA C 46 58.907 58.907 60.961 -2.054 18237 2265 1 8 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.404 -0.185 18237 2266 1 8 . 1 1 46 46 TRP H H 46 8.043 8.043 8.507 -0.464 18237 2267 1 8 . 1 1 47 47 ASN N N 47 116.564 116.564 118.259 -1.695 18237 2268 1 8 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.018 0.608 18237 2269 1 8 . 1 1 47 47 ASN C C 47 176.904 176.904 177.239 -0.335 18237 2270 1 8 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.635 -0.590 18237 2271 1 8 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.725 -0.162 18237 2272 1 8 . 1 1 47 47 ASN H H 47 8.174 8.174 8.715 -0.541 18237 2273 1 8 . 1 1 48 48 TRP N N 48 121.421 121.421 120.260 1.161 18237 2274 1 8 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.634 -0.267 18237 2275 1 8 . 1 1 48 48 TRP CA C 48 59.517 59.517 57.998 1.519 18237 2276 1 8 . 1 1 48 48 TRP CB C 48 28.893 28.893 29.245 -0.352 18237 2277 1 8 . 1 1 48 48 TRP H H 48 8.145 8.145 8.142 0.003 18237 2278 1 8 . 1 1 49 49 PHE N N 49 118.299 118.299 121.675 -3.376 18237 2279 1 8 . 1 1 49 49 PHE HA H 49 4.252 4.252 3.849 0.403 18237 2280 1 8 . 1 1 49 49 PHE C C 49 175.565 175.565 175.126 0.439 18237 2281 1 8 . 1 1 49 49 PHE CA C 49 58.887 58.887 57.164 1.723 18237 2282 1 8 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.936 -0.265 18237 2283 1 8 . 1 1 49 49 PHE H H 49 8.036 8.036 7.677 0.359 18237 2284 1 8 . 1 1 50 50 ASN N N 50 118.836 118.836 119.066 -0.230 18237 2285 1 8 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.149 0.477 18237 2286 1 8 . 1 1 50 50 ASN C C 50 176.439 176.439 176.345 0.094 18237 2287 1 8 . 1 1 50 50 ASN CA C 50 53.215 53.215 54.825 -1.610 18237 2288 1 8 . 1 1 50 50 ASN CB C 50 38.128 38.128 37.426 0.702 18237 2289 1 8 . 1 1 50 50 ASN H H 50 7.795 7.795 7.575 0.220 18237 2290 1 8 . 1 1 51 51 ILE N N 51 120.218 120.218 115.432 4.786 18237 2291 1 8 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.809 -0.018 18237 2292 1 8 . 1 1 51 51 ILE C C 51 177.202 177.202 176.973 0.229 18237 2293 1 8 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.664 -1.562 18237 2294 1 8 . 1 1 51 51 ILE CB C 51 37.367 37.367 36.995 0.372 18237 2295 1 8 . 1 1 51 51 ILE H H 51 8.147 8.147 6.937 1.210 18237 2296 1 8 . 1 1 52 52 THR N N 52 115.352 115.352 112.634 2.718 18237 2297 1 8 . 1 1 52 52 THR HA H 52 4.031 4.031 4.032 -0.001 18237 2298 1 8 . 1 1 52 52 THR C C 52 176.095 176.095 176.645 -0.550 18237 2299 1 8 . 1 1 52 52 THR CA C 52 65.148 65.148 65.155 -0.007 18237 2300 1 8 . 1 1 52 52 THR CB C 52 68.277 68.277 67.944 0.333 18237 2301 1 8 . 1 1 52 52 THR H H 52 8.009 8.009 7.061 0.948 18237 2302 1 8 . 1 1 53 53 ASN N N 53 119.874 119.874 121.490 -1.616 18237 2303 1 8 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.181 0.455 18237 2304 1 8 . 1 1 53 53 ASN C C 53 176.530 176.530 177.375 -0.845 18237 2305 1 8 . 1 1 53 53 ASN CA C 53 54.457 54.457 55.533 -1.076 18237 2306 1 8 . 1 1 53 53 ASN CB C 53 37.802 37.802 37.800 0.002 18237 2307 1 8 . 1 1 53 53 ASN H H 53 7.972 7.972 7.001 0.971 18237 2308 1 8 . 1 1 54 54 TRP N N 54 120.192 120.192 119.763 0.429 18237 2309 1 8 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.446 0.209 18237 2310 1 8 . 1 1 54 54 TRP CA C 54 58.643 58.643 59.040 -0.397 18237 2311 1 8 . 1 1 54 54 TRP CB C 54 29.165 29.165 29.255 -0.090 18237 2312 1 8 . 1 1 54 54 TRP H H 54 7.897 7.897 7.325 0.572 18237 2313 1 8 . 1 1 55 55 LEU N N 55 118.354 118.354 121.875 -3.521 18237 2314 1 8 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.922 0.166 18237 2315 1 8 . 1 1 55 55 LEU C C 55 177.975 177.975 178.922 -0.947 18237 2316 1 8 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.548 -2.078 18237 2317 1 8 . 1 1 55 55 LEU CB C 55 40.898 40.898 42.062 -1.164 18237 2318 1 8 . 1 1 55 55 LEU H H 55 7.931 7.931 7.947 -0.016 18237 2319 1 8 . 1 1 56 56 TRP N N 56 118.335 118.335 117.717 0.618 18237 2320 1 8 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.335 0.032 18237 2321 1 8 . 1 1 56 56 TRP C C 56 176.863 176.863 178.417 -1.554 18237 2322 1 8 . 1 1 56 56 TRP CA C 56 59.070 59.070 61.058 -1.988 18237 2323 1 8 . 1 1 56 56 TRP CB C 56 28.839 28.839 28.814 0.025 18237 2324 1 8 . 1 1 56 56 TRP H H 56 7.665 7.665 7.852 -0.187 18237 2325 1 8 . 1 1 57 57 TYR N N 57 116.808 116.808 118.637 -1.829 18237 2326 1 8 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.398 -0.226 18237 2327 1 8 . 1 1 57 57 TYR C C 57 176.085 176.085 176.866 -0.781 18237 2328 1 8 . 1 1 57 57 TYR CA C 57 59.865 59.865 61.018 -1.153 18237 2329 1 8 . 1 1 57 57 TYR CB C 57 38.563 38.563 38.961 -0.398 18237 2330 1 8 . 1 1 57 57 TYR H H 57 7.578 7.578 7.407 0.171 18237 2331 1 8 . 1 1 58 58 ILE N N 58 115.526 115.526 116.462 -0.936 18237 2332 1 8 . 1 1 58 58 ILE HA H 58 4.265 4.265 4.162 0.103 18237 2333 1 8 . 1 1 58 58 ILE C C 58 174.782 174.782 176.013 -1.231 18237 2334 1 8 . 1 1 58 58 ILE CA C 58 60.940 60.940 61.424 -0.484 18237 2335 1 8 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.158 0.024 18237 2336 1 8 . 1 1 58 58 ILE H H 58 7.586 7.586 8.424 -0.838 18237 2337 1 9 . 1 1 2 2 TYR N N 2 120.470 120.470 118.669 1.801 18237 2338 1 9 . 1 1 2 2 TYR C C 2 176.535 176.535 174.579 1.956 18237 2339 1 9 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.009 -1.014 18237 2340 1 9 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.698 -2.385 18237 2341 1 9 . 1 1 2 2 TYR H H 2 7.951 7.951 7.645 0.306 18237 2342 1 9 . 1 1 3 3 ILE N N 3 118.307 118.307 122.822 -4.515 18237 2343 1 9 . 1 1 3 3 ILE CA C 3 58.968 58.968 59.241 -0.273 18237 2344 1 9 . 1 1 3 3 ILE CB C 3 38.074 38.074 39.356 -1.282 18237 2345 1 9 . 1 1 3 3 ILE H H 3 8.381 8.381 8.265 0.116 18237 2346 1 9 . 1 1 5 5 GLU N N 5 118.785 118.785 122.970 -4.185 18237 2347 1 9 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.582 -0.327 18237 2348 1 9 . 1 1 5 5 GLU C C 5 176.267 176.267 174.604 1.663 18237 2349 1 9 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.496 -0.537 18237 2350 1 9 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.835 -0.801 18237 2351 1 9 . 1 1 5 5 GLU H H 5 7.710 7.710 8.472 -0.762 18237 2352 1 9 . 1 1 6 6 ALA N N 6 131.546 131.546 128.016 3.530 18237 2353 1 9 . 1 1 6 6 ALA HA H 6 3.575 3.575 4.609 -1.034 18237 2354 1 9 . 1 1 6 6 ALA CA C 6 50.959 50.959 52.545 -1.586 18237 2355 1 9 . 1 1 6 6 ALA CB C 6 14.389 14.389 18.538 -4.149 18237 2356 1 9 . 1 1 6 6 ALA H H 6 8.338 8.338 8.186 0.152 18237 2357 1 9 . 1 1 8 8 ARG N N 8 126.915 126.915 122.890 4.025 18237 2358 1 9 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.418 -0.348 18237 2359 1 9 . 1 1 8 8 ARG C C 8 175.110 175.110 174.678 0.432 18237 2360 1 9 . 1 1 8 8 ARG CA C 8 54.699 54.699 54.559 0.140 18237 2361 1 9 . 1 1 8 8 ARG CB C 8 28.078 28.078 32.229 -4.151 18237 2362 1 9 . 1 1 8 8 ARG H H 8 8.725 8.725 7.841 0.884 18237 2363 1 9 . 1 1 9 9 ASP N N 9 123.653 123.653 119.405 4.248 18237 2364 1 9 . 1 1 9 9 ASP C C 9 178.015 178.015 176.778 1.237 18237 2365 1 9 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.135 -1.388 18237 2366 1 9 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.270 -0.426 18237 2367 1 9 . 1 1 9 9 ASP H H 9 8.432 8.432 8.578 -0.145 18237 2368 1 9 . 1 1 10 10 GLY N N 10 111.908 111.908 107.832 4.076 18237 2369 1 9 . 1 1 10 10 GLY C C 10 174.822 174.822 174.599 0.223 18237 2370 1 9 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.445 -0.201 18237 2371 1 9 . 1 1 10 10 GLY H H 10 9.727 9.727 8.331 1.396 18237 2372 1 9 . 1 1 11 11 GLN N N 11 118.395 118.395 120.346 -1.951 18237 2373 1 9 . 1 1 11 11 GLN C C 11 174.711 174.711 175.045 -0.334 18237 2374 1 9 . 1 1 11 11 GLN CA C 11 53.398 53.398 54.741 -1.343 18237 2375 1 9 . 1 1 11 11 GLN CB C 11 30.306 30.306 30.014 0.292 18237 2376 1 9 . 1 1 11 11 GLN H H 11 8.416 8.416 8.010 0.406 18237 2377 1 9 . 1 1 12 12 ALA N N 12 121.020 121.020 122.888 -1.868 18237 2378 1 9 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.754 0.189 18237 2379 1 9 . 1 1 12 12 ALA C C 12 177.990 177.990 175.485 2.505 18237 2380 1 9 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.219 -0.708 18237 2381 1 9 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.202 -0.055 18237 2382 1 9 . 1 1 12 12 ALA H H 12 7.933 7.933 8.104 -0.171 18237 2383 1 9 . 1 1 13 13 TYR N N 13 121.755 121.755 120.778 0.977 18237 2384 1 9 . 1 1 13 13 TYR C C 13 175.519 175.519 174.945 0.574 18237 2385 1 9 . 1 1 13 13 TYR CA C 13 59.090 59.090 56.733 2.357 18237 2386 1 9 . 1 1 13 13 TYR CB C 13 43.180 43.180 41.440 1.740 18237 2387 1 9 . 1 1 13 13 TYR H H 13 9.575 9.575 8.621 0.954 18237 2388 1 9 . 1 1 14 14 VAL N N 14 112.251 112.251 121.232 -8.981 18237 2389 1 9 . 1 1 14 14 VAL C C 14 174.074 174.074 174.763 -0.689 18237 2390 1 9 . 1 1 14 14 VAL CA C 14 59.090 59.090 58.953 0.137 18237 2391 1 9 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.033 -2.283 18237 2392 1 9 . 1 1 14 14 VAL H H 14 9.659 9.659 9.037 0.622 18237 2393 1 9 . 1 1 15 15 ARG N N 15 124.657 124.657 122.254 2.403 18237 2394 1 9 . 1 1 15 15 ARG C C 15 174.948 174.948 175.500 -0.552 18237 2395 1 9 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.920 -2.400 18237 2396 1 9 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.140 2.393 18237 2397 1 9 . 1 1 15 15 ARG H H 15 8.503 8.503 8.525 -0.022 18237 2398 1 9 . 1 1 16 16 LYS N N 16 128.240 128.240 125.684 2.556 18237 2399 1 9 . 1 1 16 16 LYS C C 16 175.974 175.974 175.473 0.501 18237 2400 1 9 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.669 0.107 18237 2401 1 9 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.467 1.086 18237 2402 1 9 . 1 1 16 16 LYS H H 16 9.052 9.052 8.682 0.370 18237 2403 1 9 . 1 1 17 17 ASP N N 17 130.562 130.562 127.253 3.309 18237 2404 1 9 . 1 1 17 17 ASP C C 17 175.822 175.822 176.490 -0.668 18237 2405 1 9 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.770 1.677 18237 2406 1 9 . 1 1 17 17 ASP CB C 17 40.192 40.192 39.938 0.254 18237 2407 1 9 . 1 1 17 17 ASP H H 17 10.886 10.886 9.028 1.858 18237 2408 1 9 . 1 1 18 18 GLY N N 18 104.754 104.754 105.400 -0.646 18237 2409 1 9 . 1 1 18 18 GLY C C 18 173.104 173.104 173.624 -0.520 18237 2410 1 9 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.254 -0.010 18237 2411 1 9 . 1 1 18 18 GLY H H 18 9.353 9.353 8.399 0.954 18237 2412 1 9 . 1 1 19 19 GLU N N 19 117.501 117.501 118.122 -0.621 18237 2413 1 9 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.030 0.618 18237 2414 1 9 . 1 1 19 19 GLU C C 19 176.166 176.166 174.716 1.450 18237 2415 1 9 . 1 1 19 19 GLU CA C 19 53.865 53.865 54.423 -0.558 18237 2416 1 9 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.108 0.022 18237 2417 1 9 . 1 1 19 19 GLU H H 19 7.813 7.813 8.248 -0.435 18237 2418 1 9 . 1 1 20 20 TRP N N 20 122.768 122.768 122.254 0.514 18237 2419 1 9 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.568 -0.901 18237 2420 1 9 . 1 1 20 20 TRP C C 20 176.302 176.302 176.531 -0.229 18237 2421 1 9 . 1 1 20 20 TRP CA C 20 55.878 55.878 55.324 0.554 18237 2422 1 9 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.213 0.332 18237 2423 1 9 . 1 1 20 20 TRP H H 20 9.094 9.094 7.487 1.607 18237 2424 1 9 . 1 1 21 21 VAL N N 21 123.071 123.071 124.523 -1.452 18237 2425 1 9 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.511 0.474 18237 2426 1 9 . 1 1 21 21 VAL C C 21 175.640 175.640 175.906 -0.266 18237 2427 1 9 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.552 -1.015 18237 2428 1 9 . 1 1 21 21 VAL CB C 21 34.651 34.651 34.206 0.445 18237 2429 1 9 . 1 1 21 21 VAL H H 21 9.868 9.868 8.516 1.352 18237 2430 1 9 . 1 1 22 22 LEU N N 22 127.193 127.193 129.460 -2.267 18237 2431 1 9 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.163 0.259 18237 2432 1 9 . 1 1 22 22 LEU C C 22 179.268 179.268 178.667 0.601 18237 2433 1 9 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.645 -0.011 18237 2434 1 9 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.096 0.183 18237 2435 1 9 . 1 1 22 22 LEU H H 22 8.812 8.812 9.057 -0.245 18237 2436 1 9 . 1 1 23 23 LEU N N 23 126.386 126.386 128.455 -2.069 18237 2437 1 9 . 1 1 23 23 LEU C C 23 178.844 178.844 178.515 0.329 18237 2438 1 9 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.126 -0.723 18237 2439 1 9 . 1 1 23 23 LEU CB C 23 41.061 41.061 42.111 -1.050 18237 2440 1 9 . 1 1 23 23 LEU H H 23 8.562 8.562 8.158 0.404 18237 2441 1 9 . 1 1 24 24 SER N N 24 113.100 113.100 113.142 -0.042 18237 2442 1 9 . 1 1 24 24 SER HA H 24 4.621 4.621 4.156 0.465 18237 2443 1 9 . 1 1 24 24 SER C C 24 176.676 176.676 176.050 0.626 18237 2444 1 9 . 1 1 24 24 SER CA C 24 60.960 60.960 61.202 -0.242 18237 2445 1 9 . 1 1 24 24 SER CB C 24 61.650 61.650 62.581 -0.931 18237 2446 1 9 . 1 1 24 24 SER H H 24 9.098 9.098 8.654 0.444 18237 2447 1 9 . 1 1 25 25 THR N N 25 116.715 116.715 117.465 -0.750 18237 2448 1 9 . 1 1 25 25 THR HA H 25 3.915 3.915 4.068 -0.153 18237 2449 1 9 . 1 1 25 25 THR CA C 25 64.599 64.599 66.065 -1.466 18237 2450 1 9 . 1 1 25 25 THR CB C 25 68.657 68.657 68.732 -0.075 18237 2451 1 9 . 1 1 25 25 THR H H 25 7.238 7.238 8.066 -0.828 18237 2452 1 9 . 1 1 26 26 PHE N N 26 118.488 118.488 118.051 0.437 18237 2453 1 9 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.490 -0.380 18237 2454 1 9 . 1 1 26 26 PHE C C 26 176.181 176.181 176.589 -0.408 18237 2455 1 9 . 1 1 26 26 PHE CA C 26 58.627 58.627 59.416 -0.789 18237 2456 1 9 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.477 0.316 18237 2457 1 9 . 1 1 26 26 PHE H H 26 7.945 7.945 8.028 -0.083 18237 2458 1 9 . 1 1 27 27 LEU N N 27 118.525 118.525 120.613 -2.088 18237 2459 1 9 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.261 0.262 18237 2460 1 9 . 1 1 27 27 LEU C C 27 177.752 177.752 177.607 0.145 18237 2461 1 9 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.623 -0.944 18237 2462 1 9 . 1 1 27 27 LEU CB C 27 41.333 41.333 43.233 -1.900 18237 2463 1 9 . 1 1 27 27 LEU H H 27 7.290 7.290 7.484 -0.194 18237 2464 1 9 . 1 1 28 28 GLY N N 28 108.823 108.823 108.293 0.530 18237 2465 1 9 . 1 1 28 28 GLY C C 28 174.630 174.630 173.553 1.077 18237 2466 1 9 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.959 0.415 18237 2467 1 9 . 1 1 28 28 GLY H H 28 8.242 8.242 7.907 0.335 18237 2468 1 9 . 1 1 29 29 SER N N 29 116.210 116.210 116.944 -0.734 18237 2469 1 9 . 1 1 29 29 SER HA H 29 4.626 4.626 4.662 -0.036 18237 2470 1 9 . 1 1 29 29 SER C C 29 175.312 175.312 174.533 0.779 18237 2471 1 9 . 1 1 29 29 SER CA C 29 57.992 57.992 57.995 -0.003 18237 2472 1 9 . 1 1 29 29 SER CB C 29 63.605 63.605 65.278 -1.673 18237 2473 1 9 . 1 1 29 29 SER H H 29 8.310 8.310 7.994 0.316 18237 2474 1 9 . 1 1 30 30 SER N N 30 118.892 118.892 113.388 5.504 18237 2475 1 9 . 1 1 30 30 SER HA H 30 4.597 4.597 4.297 0.300 18237 2476 1 9 . 1 1 30 30 SER C C 30 175.479 175.479 174.644 0.835 18237 2477 1 9 . 1 1 30 30 SER CA C 30 58.582 58.582 60.056 -1.474 18237 2478 1 9 . 1 1 30 30 SER CB C 30 63.605 63.605 61.838 1.767 18237 2479 1 9 . 1 1 30 30 SER H H 30 8.593 8.593 8.868 -0.275 18237 2480 1 9 . 1 1 31 31 GLY N N 31 111.354 111.354 110.099 1.255 18237 2481 1 9 . 1 1 31 31 GLY C C 31 174.428 174.428 174.993 -0.565 18237 2482 1 9 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.604 -0.148 18237 2483 1 9 . 1 1 31 31 GLY H H 31 8.584 8.584 7.938 0.646 18237 2484 1 9 . 1 1 32 32 ASN N N 32 119.486 119.486 120.883 -1.397 18237 2485 1 9 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.670 0.147 18237 2486 1 9 . 1 1 32 32 ASN C C 32 175.928 175.928 175.748 0.180 18237 2487 1 9 . 1 1 32 32 ASN CA C 32 53.215 53.215 52.926 0.289 18237 2488 1 9 . 1 1 32 32 ASN CB C 32 38.780 38.780 37.232 1.548 18237 2489 1 9 . 1 1 32 32 ASN H H 32 8.393 8.393 8.578 -0.185 18237 2490 1 9 . 1 1 33 33 GLU N N 33 122.031 122.031 120.786 1.245 18237 2491 1 9 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.950 0.321 18237 2492 1 9 . 1 1 33 33 GLU CA C 33 57.426 57.426 58.861 -1.435 18237 2493 1 9 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.643 -0.315 18237 2494 1 9 . 1 1 33 33 GLU H H 33 8.711 8.711 8.021 0.690 18237 2495 1 9 . 1 1 34 34 GLN N N 34 120.866 120.866 116.876 3.990 18237 2496 1 9 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.058 0.213 18237 2497 1 9 . 1 1 34 34 GLN CA C 34 56.226 56.226 58.354 -2.128 18237 2498 1 9 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.189 0.651 18237 2499 1 9 . 1 1 34 34 GLN H H 34 8.438 8.438 7.647 0.791 18237 2500 1 9 . 1 1 35 35 GLU N N 35 122.323 122.323 121.091 1.232 18237 2501 1 9 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.180 0.139 18237 2502 1 9 . 1 1 35 35 GLU C C 35 177.176 177.176 178.362 -1.186 18237 2503 1 9 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.340 -1.344 18237 2504 1 9 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.510 0.035 18237 2505 1 9 . 1 1 35 35 GLU H H 35 8.424 8.424 7.724 0.700 18237 2506 1 9 . 1 1 36 36 LEU N N 36 122.904 122.904 117.197 5.707 18237 2507 1 9 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.132 0.187 18237 2508 1 9 . 1 1 36 36 LEU CA C 36 55.898 55.898 56.540 -0.642 18237 2509 1 9 . 1 1 36 36 LEU CB C 36 41.496 41.496 42.075 -0.579 18237 2510 1 9 . 1 1 36 36 LEU H H 36 8.342 8.342 7.396 0.946 18237 2511 1 9 . 1 1 38 38 GLU N N 38 121.931 121.931 121.057 0.874 18237 2512 1 9 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.114 0.282 18237 2513 1 9 . 1 1 38 38 GLU C C 38 177.318 177.318 178.120 -0.802 18237 2514 1 9 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.280 -2.914 18237 2515 1 9 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.665 -0.337 18237 2516 1 9 . 1 1 38 38 GLU H H 38 8.342 8.342 7.423 0.919 18237 2517 1 9 . 1 1 39 39 LEU N N 39 123.317 123.317 119.837 3.480 18237 2518 1 9 . 1 1 39 39 LEU HA H 39 4.348 4.348 2.275 2.073 18237 2519 1 9 . 1 1 39 39 LEU CA C 39 56.833 56.833 57.873 -1.040 18237 2520 1 9 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.325 0.062 18237 2521 1 9 . 1 1 39 39 LEU H H 39 8.342 8.342 7.186 1.156 18237 2522 1 9 . 1 1 40 40 ASP N N 40 119.726 119.726 116.153 3.573 18237 2523 1 9 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.251 0.320 18237 2524 1 9 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.203 -1.614 18237 2525 1 9 . 1 1 40 40 ASP H H 40 8.530 8.530 8.496 0.034 18237 2526 1 9 . 1 1 41 41 LYS N N 41 121.200 121.200 118.279 2.921 18237 2527 1 9 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.339 -0.175 18237 2528 1 9 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.157 0.063 18237 2529 1 9 . 1 1 41 41 LYS H H 41 8.145 8.145 7.818 0.327 18237 2530 1 9 . 1 1 42 42 TRP N N 42 120.615 120.615 121.403 -0.788 18237 2531 1 9 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.394 0.203 18237 2532 1 9 . 1 1 42 42 TRP C C 42 177.641 177.641 178.242 -0.601 18237 2533 1 9 . 1 1 42 42 TRP CA C 42 58.561 58.561 59.293 -0.732 18237 2534 1 9 . 1 1 42 42 TRP CB C 42 28.839 28.839 27.881 0.958 18237 2535 1 9 . 1 1 42 42 TRP H H 42 8.025 8.025 7.958 0.067 18237 2536 1 9 . 1 1 43 43 ALA N N 43 122.056 122.056 120.412 1.644 18237 2537 1 9 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.081 0.059 18237 2538 1 9 . 1 1 43 43 ALA C C 43 172.776 172.776 179.948 -7.172 18237 2539 1 9 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.174 -0.310 18237 2540 1 9 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.826 0.148 18237 2541 1 9 . 1 1 43 43 ALA H H 43 8.199 8.199 7.993 0.206 18237 2542 1 9 . 1 1 44 44 SER N N 44 113.378 113.378 114.563 -1.185 18237 2543 1 9 . 1 1 44 44 SER HA H 44 4.376 4.376 4.289 0.087 18237 2544 1 9 . 1 1 44 44 SER C C 44 176.767 176.767 176.886 -0.119 18237 2545 1 9 . 1 1 44 44 SER CA C 44 60.980 60.980 62.077 -1.097 18237 2546 1 9 . 1 1 44 44 SER CB C 44 62.410 62.410 63.111 -0.701 18237 2547 1 9 . 1 1 44 44 SER H H 44 8.210 8.210 8.119 0.091 18237 2548 1 9 . 1 1 45 45 LEU N N 45 123.425 123.425 122.283 1.142 18237 2549 1 9 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.326 -0.132 18237 2550 1 9 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.973 -0.367 18237 2551 1 9 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.904 -0.734 18237 2552 1 9 . 1 1 45 45 LEU H H 45 7.906 7.906 7.609 0.297 18237 2553 1 9 . 1 1 46 46 TRP N N 46 118.572 118.572 119.864 -1.292 18237 2554 1 9 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.318 0.337 18237 2555 1 9 . 1 1 46 46 TRP C C 46 177.838 177.838 178.710 -0.872 18237 2556 1 9 . 1 1 46 46 TRP CA C 46 58.907 58.907 60.523 -1.616 18237 2557 1 9 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.409 -0.190 18237 2558 1 9 . 1 1 46 46 TRP H H 46 8.043 8.043 8.230 -0.187 18237 2559 1 9 . 1 1 47 47 ASN N N 47 116.564 116.564 117.741 -1.177 18237 2560 1 9 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.754 -0.128 18237 2561 1 9 . 1 1 47 47 ASN C C 47 176.904 176.904 177.719 -0.815 18237 2562 1 9 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.909 -0.864 18237 2563 1 9 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.620 -0.057 18237 2564 1 9 . 1 1 47 47 ASN H H 47 8.174 8.174 8.861 -0.687 18237 2565 1 9 . 1 1 48 48 TRP N N 48 121.421 121.421 121.439 -0.018 18237 2566 1 9 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.615 -0.248 18237 2567 1 9 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.356 1.161 18237 2568 1 9 . 1 1 48 48 TRP CB C 48 28.893 28.893 28.796 0.097 18237 2569 1 9 . 1 1 48 48 TRP H H 48 8.145 8.145 8.186 -0.041 18237 2570 1 9 . 1 1 49 49 PHE N N 49 118.299 118.299 120.333 -2.034 18237 2571 1 9 . 1 1 49 49 PHE HA H 49 4.252 4.252 3.748 0.504 18237 2572 1 9 . 1 1 49 49 PHE C C 49 175.565 175.565 175.283 0.282 18237 2573 1 9 . 1 1 49 49 PHE CA C 49 58.887 58.887 58.320 0.567 18237 2574 1 9 . 1 1 49 49 PHE CB C 49 38.671 38.671 37.924 0.747 18237 2575 1 9 . 1 1 49 49 PHE H H 49 8.036 8.036 7.605 0.431 18237 2576 1 9 . 1 1 50 50 ASN N N 50 118.836 118.836 119.468 -0.632 18237 2577 1 9 . 1 1 50 50 ASN HA H 50 4.626 4.626 3.992 0.634 18237 2578 1 9 . 1 1 50 50 ASN C C 50 176.439 176.439 176.554 -0.115 18237 2579 1 9 . 1 1 50 50 ASN CA C 50 53.215 53.215 54.999 -1.784 18237 2580 1 9 . 1 1 50 50 ASN CB C 50 38.128 38.128 38.376 -0.248 18237 2581 1 9 . 1 1 50 50 ASN H H 50 7.795 7.795 7.502 0.293 18237 2582 1 9 . 1 1 51 51 ILE N N 51 120.218 120.218 116.885 3.333 18237 2583 1 9 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.827 -0.036 18237 2584 1 9 . 1 1 51 51 ILE C C 51 177.202 177.202 177.251 -0.049 18237 2585 1 9 . 1 1 51 51 ILE CA C 51 63.102 63.102 65.121 -2.019 18237 2586 1 9 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.215 0.152 18237 2587 1 9 . 1 1 51 51 ILE H H 51 8.147 8.147 6.945 1.202 18237 2588 1 9 . 1 1 52 52 THR N N 52 115.352 115.352 114.951 0.401 18237 2589 1 9 . 1 1 52 52 THR HA H 52 4.031 4.031 4.095 -0.064 18237 2590 1 9 . 1 1 52 52 THR C C 52 176.095 176.095 176.276 -0.181 18237 2591 1 9 . 1 1 52 52 THR CA C 52 65.148 65.148 66.271 -1.123 18237 2592 1 9 . 1 1 52 52 THR CB C 52 68.277 68.277 68.045 0.232 18237 2593 1 9 . 1 1 52 52 THR H H 52 8.009 8.009 7.454 0.555 18237 2594 1 9 . 1 1 53 53 ASN N N 53 119.874 119.874 121.024 -1.150 18237 2595 1 9 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.208 0.428 18237 2596 1 9 . 1 1 53 53 ASN C C 53 176.530 176.530 177.082 -0.552 18237 2597 1 9 . 1 1 53 53 ASN CA C 53 54.457 54.457 55.665 -1.208 18237 2598 1 9 . 1 1 53 53 ASN CB C 53 37.802 37.802 37.618 0.184 18237 2599 1 9 . 1 1 53 53 ASN H H 53 7.972 7.972 7.098 0.874 18237 2600 1 9 . 1 1 54 54 TRP N N 54 120.192 120.192 120.375 -0.183 18237 2601 1 9 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.559 0.096 18237 2602 1 9 . 1 1 54 54 TRP CA C 54 58.643 58.643 59.198 -0.555 18237 2603 1 9 . 1 1 54 54 TRP CB C 54 29.165 29.165 29.238 -0.073 18237 2604 1 9 . 1 1 54 54 TRP H H 54 7.897 7.897 7.249 0.648 18237 2605 1 9 . 1 1 55 55 LEU N N 55 118.354 118.354 121.076 -2.722 18237 2606 1 9 . 1 1 55 55 LEU HA H 55 4.088 4.088 4.082 0.006 18237 2607 1 9 . 1 1 55 55 LEU C C 55 177.975 177.975 179.700 -1.725 18237 2608 1 9 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.551 -2.081 18237 2609 1 9 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.351 -0.453 18237 2610 1 9 . 1 1 55 55 LEU H H 55 7.931 7.931 7.916 0.015 18237 2611 1 9 . 1 1 56 56 TRP N N 56 118.335 118.335 117.393 0.942 18237 2612 1 9 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.313 0.054 18237 2613 1 9 . 1 1 56 56 TRP C C 56 176.863 176.863 178.495 -1.632 18237 2614 1 9 . 1 1 56 56 TRP CA C 56 59.070 59.070 61.108 -2.038 18237 2615 1 9 . 1 1 56 56 TRP CB C 56 28.839 28.839 28.857 -0.018 18237 2616 1 9 . 1 1 56 56 TRP H H 56 7.665 7.665 7.874 -0.209 18237 2617 1 9 . 1 1 57 57 TYR N N 57 116.808 116.808 119.544 -2.736 18237 2618 1 9 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.364 -0.192 18237 2619 1 9 . 1 1 57 57 TYR C C 57 176.085 176.085 177.287 -1.202 18237 2620 1 9 . 1 1 57 57 TYR CA C 57 59.865 59.865 61.206 -1.341 18237 2621 1 9 . 1 1 57 57 TYR CB C 57 38.563 38.563 39.256 -0.693 18237 2622 1 9 . 1 1 57 57 TYR H H 57 7.578 7.578 7.593 -0.015 18237 2623 1 9 . 1 1 58 58 ILE N N 58 115.526 115.526 113.167 2.359 18237 2624 1 9 . 1 1 58 58 ILE HA H 58 4.265 4.265 4.326 -0.061 18237 2625 1 9 . 1 1 58 58 ILE C C 58 174.782 174.782 175.864 -1.082 18237 2626 1 9 . 1 1 58 58 ILE CA C 58 60.940 60.940 61.707 -0.767 18237 2627 1 9 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.159 0.023 18237 2628 1 9 . 1 1 58 58 ILE H H 58 7.586 7.586 8.471 -0.885 18237 2629 1 10 . 1 1 2 2 TYR N N 2 120.470 120.470 120.595 -0.125 18237 2630 1 10 . 1 1 2 2 TYR C C 2 176.535 176.535 176.347 0.188 18237 2631 1 10 . 1 1 2 2 TYR CA C 2 55.995 55.995 56.821 -0.826 18237 2632 1 10 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.583 -2.270 18237 2633 1 10 . 1 1 2 2 TYR H H 2 7.951 7.951 8.061 -0.110 18237 2634 1 10 . 1 1 3 3 ILE N N 3 118.307 118.307 122.082 -3.775 18237 2635 1 10 . 1 1 3 3 ILE CA C 3 58.968 58.968 59.232 -0.264 18237 2636 1 10 . 1 1 3 3 ILE CB C 3 38.074 38.074 36.569 1.505 18237 2637 1 10 . 1 1 3 3 ILE H H 3 8.381 8.381 8.313 0.068 18237 2638 1 10 . 1 1 5 5 GLU N N 5 118.785 118.785 117.032 1.753 18237 2639 1 10 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.277 -0.022 18237 2640 1 10 . 1 1 5 5 GLU C C 5 176.267 176.267 174.755 1.512 18237 2641 1 10 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.560 -0.601 18237 2642 1 10 . 1 1 5 5 GLU CB C 5 30.034 30.034 29.713 0.321 18237 2643 1 10 . 1 1 5 5 GLU H H 5 7.710 7.710 8.050 -0.340 18237 2644 1 10 . 1 1 6 6 ALA N N 6 131.546 131.546 122.451 9.095 18237 2645 1 10 . 1 1 6 6 ALA HA H 6 3.575 3.575 2.505 1.070 18237 2646 1 10 . 1 1 6 6 ALA CA C 6 50.959 50.959 52.365 -1.406 18237 2647 1 10 . 1 1 6 6 ALA CB C 6 14.389 14.389 17.250 -2.861 18237 2648 1 10 . 1 1 6 6 ALA H H 6 8.338 8.338 7.992 0.346 18237 2649 1 10 . 1 1 8 8 ARG N N 8 126.915 126.915 119.531 7.384 18237 2650 1 10 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.640 -0.570 18237 2651 1 10 . 1 1 8 8 ARG C C 8 175.110 175.110 175.125 -0.015 18237 2652 1 10 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.467 -0.768 18237 2653 1 10 . 1 1 8 8 ARG CB C 8 28.078 28.078 29.778 -1.700 18237 2654 1 10 . 1 1 8 8 ARG H H 8 8.725 8.725 8.184 0.541 18237 2655 1 10 . 1 1 9 9 ASP N N 9 123.653 123.653 124.336 -0.683 18237 2656 1 10 . 1 1 9 9 ASP C C 9 178.015 178.015 177.239 0.776 18237 2657 1 10 . 1 1 9 9 ASP CA C 9 52.747 52.747 53.958 -1.210 18237 2658 1 10 . 1 1 9 9 ASP CB C 9 40.844 40.844 40.572 0.272 18237 2659 1 10 . 1 1 9 9 ASP H H 9 8.432 8.432 8.491 -0.059 18237 2660 1 10 . 1 1 10 10 GLY N N 10 111.908 111.908 107.737 4.171 18237 2661 1 10 . 1 1 10 10 GLY C C 10 174.822 174.822 174.787 0.035 18237 2662 1 10 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.011 0.233 18237 2663 1 10 . 1 1 10 10 GLY H H 10 9.727 9.727 8.521 1.206 18237 2664 1 10 . 1 1 11 11 GLN N N 11 118.395 118.395 120.633 -2.238 18237 2665 1 10 . 1 1 11 11 GLN C C 11 174.711 174.711 174.548 0.163 18237 2666 1 10 . 1 1 11 11 GLN CA C 11 53.398 53.398 54.732 -1.334 18237 2667 1 10 . 1 1 11 11 GLN CB C 11 30.306 30.306 30.394 -0.088 18237 2668 1 10 . 1 1 11 11 GLN H H 11 8.416 8.416 8.090 0.326 18237 2669 1 10 . 1 1 12 12 ALA N N 12 121.020 121.020 122.506 -1.486 18237 2670 1 10 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.191 0.752 18237 2671 1 10 . 1 1 12 12 ALA C C 12 177.990 177.990 175.194 2.796 18237 2672 1 10 . 1 1 12 12 ALA CA C 12 50.511 50.511 50.769 -0.258 18237 2673 1 10 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.528 -0.381 18237 2674 1 10 . 1 1 12 12 ALA H H 12 7.933 7.933 8.166 -0.233 18237 2675 1 10 . 1 1 13 13 TYR N N 13 121.755 121.755 119.209 2.546 18237 2676 1 10 . 1 1 13 13 TYR C C 13 175.519 175.519 174.765 0.754 18237 2677 1 10 . 1 1 13 13 TYR CA C 13 59.090 59.090 56.357 2.733 18237 2678 1 10 . 1 1 13 13 TYR CB C 13 43.180 43.180 41.130 2.050 18237 2679 1 10 . 1 1 13 13 TYR H H 13 9.575 9.575 8.179 1.396 18237 2680 1 10 . 1 1 14 14 VAL N N 14 112.251 112.251 121.243 -8.992 18237 2681 1 10 . 1 1 14 14 VAL C C 14 174.074 174.074 175.222 -1.148 18237 2682 1 10 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.067 0.023 18237 2683 1 10 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.331 -2.581 18237 2684 1 10 . 1 1 14 14 VAL H H 14 9.659 9.659 8.499 1.160 18237 2685 1 10 . 1 1 15 15 ARG N N 15 124.657 124.657 122.549 2.108 18237 2686 1 10 . 1 1 15 15 ARG C C 15 174.948 174.948 175.577 -0.629 18237 2687 1 10 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.479 -1.959 18237 2688 1 10 . 1 1 15 15 ARG CB C 15 32.533 32.533 29.592 2.941 18237 2689 1 10 . 1 1 15 15 ARG H H 15 8.503 8.503 8.557 -0.054 18237 2690 1 10 . 1 1 16 16 LYS N N 16 128.240 128.240 125.451 2.789 18237 2691 1 10 . 1 1 16 16 LYS C C 16 175.974 175.974 175.403 0.571 18237 2692 1 10 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.869 -0.093 18237 2693 1 10 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.520 1.033 18237 2694 1 10 . 1 1 16 16 LYS H H 16 9.052 9.052 8.408 0.644 18237 2695 1 10 . 1 1 17 17 ASP N N 17 130.562 130.562 126.207 4.355 18237 2696 1 10 . 1 1 17 17 ASP C C 17 175.822 175.822 176.417 -0.595 18237 2697 1 10 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.758 1.689 18237 2698 1 10 . 1 1 17 17 ASP CB C 17 40.192 40.192 40.154 0.038 18237 2699 1 10 . 1 1 17 17 ASP H H 17 10.886 10.886 9.013 1.873 18237 2700 1 10 . 1 1 18 18 GLY N N 18 104.754 104.754 104.968 -0.214 18237 2701 1 10 . 1 1 18 18 GLY C C 18 173.104 173.104 173.371 -0.267 18237 2702 1 10 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.417 -0.173 18237 2703 1 10 . 1 1 18 18 GLY H H 18 9.353 9.353 8.265 1.088 18237 2704 1 10 . 1 1 19 19 GLU N N 19 117.501 117.501 118.370 -0.869 18237 2705 1 10 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.193 0.455 18237 2706 1 10 . 1 1 19 19 GLU C C 19 176.166 176.166 174.492 1.674 18237 2707 1 10 . 1 1 19 19 GLU CA C 19 53.865 53.865 53.648 0.217 18237 2708 1 10 . 1 1 19 19 GLU CB C 19 33.130 33.130 32.099 1.031 18237 2709 1 10 . 1 1 19 19 GLU H H 19 7.813 7.813 8.187 -0.374 18237 2710 1 10 . 1 1 20 20 TRP N N 20 122.768 122.768 122.536 0.232 18237 2711 1 10 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.441 -0.774 18237 2712 1 10 . 1 1 20 20 TRP C C 20 176.302 176.302 176.395 -0.093 18237 2713 1 10 . 1 1 20 20 TRP CA C 20 55.878 55.878 55.235 0.643 18237 2714 1 10 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.189 0.356 18237 2715 1 10 . 1 1 20 20 TRP H H 20 9.094 9.094 7.267 1.827 18237 2716 1 10 . 1 1 21 21 VAL N N 21 123.071 123.071 124.911 -1.840 18237 2717 1 10 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.423 0.562 18237 2718 1 10 . 1 1 21 21 VAL C C 21 175.640 175.640 175.794 -0.154 18237 2719 1 10 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.868 -1.331 18237 2720 1 10 . 1 1 21 21 VAL CB C 21 34.651 34.651 34.518 0.133 18237 2721 1 10 . 1 1 21 21 VAL H H 21 9.868 9.868 8.171 1.697 18237 2722 1 10 . 1 1 22 22 LEU N N 22 127.193 127.193 129.089 -1.896 18237 2723 1 10 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.477 -0.055 18237 2724 1 10 . 1 1 22 22 LEU C C 22 179.268 179.268 178.654 0.614 18237 2725 1 10 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.897 -0.263 18237 2726 1 10 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.853 -0.575 18237 2727 1 10 . 1 1 22 22 LEU H H 22 8.812 8.812 8.987 -0.175 18237 2728 1 10 . 1 1 23 23 LEU N N 23 126.386 126.386 128.532 -2.146 18237 2729 1 10 . 1 1 23 23 LEU C C 23 178.844 178.844 178.698 0.146 18237 2730 1 10 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.344 -0.941 18237 2731 1 10 . 1 1 23 23 LEU CB C 23 41.061 41.061 42.107 -1.046 18237 2732 1 10 . 1 1 23 23 LEU H H 23 8.562 8.562 8.425 0.137 18237 2733 1 10 . 1 1 24 24 SER N N 24 113.100 113.100 112.649 0.451 18237 2734 1 10 . 1 1 24 24 SER HA H 24 4.621 4.621 4.137 0.484 18237 2735 1 10 . 1 1 24 24 SER C C 24 176.676 176.676 176.145 0.531 18237 2736 1 10 . 1 1 24 24 SER CA C 24 60.960 60.960 61.488 -0.528 18237 2737 1 10 . 1 1 24 24 SER CB C 24 61.650 61.650 62.583 -0.933 18237 2738 1 10 . 1 1 24 24 SER H H 24 9.098 9.098 8.721 0.377 18237 2739 1 10 . 1 1 25 25 THR N N 25 116.715 116.715 116.666 0.049 18237 2740 1 10 . 1 1 25 25 THR HA H 25 3.915 3.915 4.068 -0.153 18237 2741 1 10 . 1 1 25 25 THR CA C 25 64.599 64.599 65.773 -1.174 18237 2742 1 10 . 1 1 25 25 THR CB C 25 68.657 68.657 68.967 -0.310 18237 2743 1 10 . 1 1 25 25 THR H H 25 7.238 7.238 7.935 -0.697 18237 2744 1 10 . 1 1 26 26 PHE N N 26 118.488 118.488 120.122 -1.634 18237 2745 1 10 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.452 -0.342 18237 2746 1 10 . 1 1 26 26 PHE C C 26 176.181 176.181 176.519 -0.338 18237 2747 1 10 . 1 1 26 26 PHE CA C 26 58.627 58.627 60.131 -1.504 18237 2748 1 10 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.939 -0.146 18237 2749 1 10 . 1 1 26 26 PHE H H 26 7.945 7.945 8.302 -0.357 18237 2750 1 10 . 1 1 27 27 LEU N N 27 118.525 118.525 119.153 -0.628 18237 2751 1 10 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.331 0.192 18237 2752 1 10 . 1 1 27 27 LEU C C 27 177.752 177.752 177.713 0.039 18237 2753 1 10 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.367 -0.688 18237 2754 1 10 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.367 -1.034 18237 2755 1 10 . 1 1 27 27 LEU H H 27 7.290 7.290 7.929 -0.639 18237 2756 1 10 . 1 1 28 28 GLY N N 28 108.823 108.823 107.297 1.526 18237 2757 1 10 . 1 1 28 28 GLY C C 28 174.630 174.630 174.482 0.148 18237 2758 1 10 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.570 0.804 18237 2759 1 10 . 1 1 28 28 GLY H H 28 8.242 8.242 7.628 0.614 18237 2760 1 10 . 1 1 29 29 SER N N 29 116.210 116.210 116.287 -0.077 18237 2761 1 10 . 1 1 29 29 SER HA H 29 4.626 4.626 4.290 0.336 18237 2762 1 10 . 1 1 29 29 SER C C 29 175.312 175.312 174.005 1.307 18237 2763 1 10 . 1 1 29 29 SER CA C 29 57.992 57.992 58.712 -0.720 18237 2764 1 10 . 1 1 29 29 SER CB C 29 63.605 63.605 63.925 -0.320 18237 2765 1 10 . 1 1 29 29 SER H H 29 8.310 8.310 8.033 0.277 18237 2766 1 10 . 1 1 30 30 SER N N 30 118.892 118.892 116.659 2.233 18237 2767 1 10 . 1 1 30 30 SER HA H 30 4.597 4.597 4.165 0.432 18237 2768 1 10 . 1 1 30 30 SER C C 30 175.479 175.479 174.068 1.411 18237 2769 1 10 . 1 1 30 30 SER CA C 30 58.582 58.582 59.462 -0.880 18237 2770 1 10 . 1 1 30 30 SER CB C 30 63.605 63.605 62.722 0.883 18237 2771 1 10 . 1 1 30 30 SER H H 30 8.593 8.593 8.858 -0.265 18237 2772 1 10 . 1 1 31 31 GLY N N 31 111.354 111.354 106.095 5.259 18237 2773 1 10 . 1 1 31 31 GLY C C 31 174.428 174.428 173.968 0.460 18237 2774 1 10 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.038 0.419 18237 2775 1 10 . 1 1 31 31 GLY H H 31 8.584 8.584 8.286 0.298 18237 2776 1 10 . 1 1 32 32 ASN N N 32 119.486 119.486 117.227 2.259 18237 2777 1 10 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.749 0.068 18237 2778 1 10 . 1 1 32 32 ASN C C 32 175.928 175.928 175.705 0.223 18237 2779 1 10 . 1 1 32 32 ASN CA C 32 53.215 53.215 53.069 0.146 18237 2780 1 10 . 1 1 32 32 ASN CB C 32 38.780 38.780 39.727 -0.947 18237 2781 1 10 . 1 1 32 32 ASN H H 32 8.393 8.393 8.253 0.140 18237 2782 1 10 . 1 1 33 33 GLU N N 33 122.031 122.031 121.408 0.623 18237 2783 1 10 . 1 1 33 33 GLU HA H 33 4.271 4.271 4.127 0.144 18237 2784 1 10 . 1 1 33 33 GLU CA C 33 57.426 57.426 58.703 -1.277 18237 2785 1 10 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.466 -0.138 18237 2786 1 10 . 1 1 33 33 GLU H H 33 8.711 8.711 8.746 -0.035 18237 2787 1 10 . 1 1 34 34 GLN N N 34 120.866 120.866 118.567 2.299 18237 2788 1 10 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.103 0.168 18237 2789 1 10 . 1 1 34 34 GLN CA C 34 56.226 56.226 59.055 -2.829 18237 2790 1 10 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.072 0.767 18237 2791 1 10 . 1 1 34 34 GLN H H 34 8.438 8.438 8.643 -0.205 18237 2792 1 10 . 1 1 35 35 GLU N N 35 122.323 122.323 119.049 3.274 18237 2793 1 10 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.435 -0.116 18237 2794 1 10 . 1 1 35 35 GLU C C 35 177.176 177.176 179.255 -2.079 18237 2795 1 10 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.727 -1.731 18237 2796 1 10 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.290 0.255 18237 2797 1 10 . 1 1 35 35 GLU H H 35 8.424 8.424 7.928 0.496 18237 2798 1 10 . 1 1 36 36 LEU N N 36 122.904 122.904 119.587 3.317 18237 2799 1 10 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.169 0.150 18237 2800 1 10 . 1 1 36 36 LEU CA C 36 55.898 55.898 57.498 -1.600 18237 2801 1 10 . 1 1 36 36 LEU CB C 36 41.496 41.496 42.279 -0.783 18237 2802 1 10 . 1 1 36 36 LEU H H 36 8.342 8.342 7.369 0.973 18237 2803 1 10 . 1 1 38 38 GLU N N 38 121.931 121.931 121.176 0.755 18237 2804 1 10 . 1 1 38 38 GLU HA H 38 4.396 4.396 3.836 0.560 18237 2805 1 10 . 1 1 38 38 GLU C C 38 177.318 177.318 178.256 -0.938 18237 2806 1 10 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.953 -3.587 18237 2807 1 10 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.907 -0.579 18237 2808 1 10 . 1 1 38 38 GLU H H 38 8.342 8.342 8.061 0.281 18237 2809 1 10 . 1 1 39 39 LEU N N 39 123.317 123.317 120.262 3.055 18237 2810 1 10 . 1 1 39 39 LEU HA H 39 4.348 4.348 4.181 0.167 18237 2811 1 10 . 1 1 39 39 LEU CA C 39 56.833 56.833 58.726 -1.893 18237 2812 1 10 . 1 1 39 39 LEU CB C 39 41.387 41.387 42.047 -0.660 18237 2813 1 10 . 1 1 39 39 LEU H H 39 8.342 8.342 7.936 0.406 18237 2814 1 10 . 1 1 40 40 ASP N N 40 119.726 119.726 117.202 2.524 18237 2815 1 10 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.351 0.220 18237 2816 1 10 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.723 -2.134 18237 2817 1 10 . 1 1 40 40 ASP H H 40 8.530 8.530 8.635 -0.105 18237 2818 1 10 . 1 1 41 41 LYS N N 41 121.200 121.200 120.870 0.330 18237 2819 1 10 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.059 0.105 18237 2820 1 10 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.736 -0.515 18237 2821 1 10 . 1 1 41 41 LYS H H 41 8.145 8.145 7.730 0.415 18237 2822 1 10 . 1 1 42 42 TRP N N 42 120.615 120.615 119.958 0.657 18237 2823 1 10 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.307 0.290 18237 2824 1 10 . 1 1 42 42 TRP C C 42 177.641 177.641 178.564 -0.923 18237 2825 1 10 . 1 1 42 42 TRP CA C 42 58.561 58.561 59.752 -1.191 18237 2826 1 10 . 1 1 42 42 TRP CB C 42 28.839 28.839 29.147 -0.308 18237 2827 1 10 . 1 1 42 42 TRP H H 42 8.025 8.025 8.046 -0.021 18237 2828 1 10 . 1 1 43 43 ALA N N 43 122.056 122.056 120.188 1.868 18237 2829 1 10 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.100 0.040 18237 2830 1 10 . 1 1 43 43 ALA C C 43 172.776 172.776 179.776 -7.000 18237 2831 1 10 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.319 -0.455 18237 2832 1 10 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.920 0.054 18237 2833 1 10 . 1 1 43 43 ALA H H 43 8.199 8.199 8.618 -0.419 18237 2834 1 10 . 1 1 44 44 SER N N 44 113.378 113.378 114.882 -1.504 18237 2835 1 10 . 1 1 44 44 SER HA H 44 4.376 4.376 4.298 0.078 18237 2836 1 10 . 1 1 44 44 SER C C 44 176.767 176.767 176.945 -0.178 18237 2837 1 10 . 1 1 44 44 SER CA C 44 60.980 60.980 61.952 -0.972 18237 2838 1 10 . 1 1 44 44 SER CB C 44 62.410 62.410 62.766 -0.356 18237 2839 1 10 . 1 1 44 44 SER H H 44 8.210 8.210 7.807 0.403 18237 2840 1 10 . 1 1 45 45 LEU N N 45 123.425 123.425 121.681 1.744 18237 2841 1 10 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.323 -0.129 18237 2842 1 10 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.790 -0.184 18237 2843 1 10 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.998 -0.828 18237 2844 1 10 . 1 1 45 45 LEU H H 45 7.906 7.906 7.577 0.329 18237 2845 1 10 . 1 1 46 46 TRP N N 46 118.572 118.572 120.194 -1.622 18237 2846 1 10 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.338 0.317 18237 2847 1 10 . 1 1 46 46 TRP C C 46 177.838 177.838 179.219 -1.381 18237 2848 1 10 . 1 1 46 46 TRP CA C 46 58.907 58.907 61.274 -2.367 18237 2849 1 10 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.453 -0.234 18237 2850 1 10 . 1 1 46 46 TRP H H 46 8.043 8.043 8.454 -0.411 18237 2851 1 10 . 1 1 47 47 ASN N N 47 116.564 116.564 118.721 -2.157 18237 2852 1 10 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.633 -0.007 18237 2853 1 10 . 1 1 47 47 ASN C C 47 176.904 176.904 177.493 -0.589 18237 2854 1 10 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.726 -0.681 18237 2855 1 10 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.846 -0.283 18237 2856 1 10 . 1 1 47 47 ASN H H 47 8.174 8.174 8.932 -0.758 18237 2857 1 10 . 1 1 48 48 TRP N N 48 121.421 121.421 119.872 1.549 18237 2858 1 10 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.669 -0.302 18237 2859 1 10 . 1 1 48 48 TRP CA C 48 59.517 59.517 57.620 1.897 18237 2860 1 10 . 1 1 48 48 TRP CB C 48 28.893 28.893 29.565 -0.672 18237 2861 1 10 . 1 1 48 48 TRP H H 48 8.145 8.145 8.049 0.096 18237 2862 1 10 . 1 1 49 49 PHE N N 49 118.299 118.299 121.175 -2.876 18237 2863 1 10 . 1 1 49 49 PHE HA H 49 4.252 4.252 3.754 0.498 18237 2864 1 10 . 1 1 49 49 PHE C C 49 175.565 175.565 174.997 0.568 18237 2865 1 10 . 1 1 49 49 PHE CA C 49 58.887 58.887 57.459 1.427 18237 2866 1 10 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.749 -0.078 18237 2867 1 10 . 1 1 49 49 PHE H H 49 8.036 8.036 7.281 0.755 18237 2868 1 10 . 1 1 50 50 ASN N N 50 118.836 118.836 119.250 -0.414 18237 2869 1 10 . 1 1 50 50 ASN HA H 50 4.626 4.626 3.856 0.770 18237 2870 1 10 . 1 1 50 50 ASN C C 50 176.439 176.439 176.217 0.222 18237 2871 1 10 . 1 1 50 50 ASN CA C 50 53.215 53.215 54.541 -1.326 18237 2872 1 10 . 1 1 50 50 ASN CB C 50 38.128 38.128 37.681 0.447 18237 2873 1 10 . 1 1 50 50 ASN H H 50 7.795 7.795 7.475 0.320 18237 2874 1 10 . 1 1 51 51 ILE N N 51 120.218 120.218 115.317 4.901 18237 2875 1 10 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.801 -0.010 18237 2876 1 10 . 1 1 51 51 ILE C C 51 177.202 177.202 176.858 0.344 18237 2877 1 10 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.809 -1.707 18237 2878 1 10 . 1 1 51 51 ILE CB C 51 37.367 37.367 36.994 0.373 18237 2879 1 10 . 1 1 51 51 ILE H H 51 8.147 8.147 6.873 1.274 18237 2880 1 10 . 1 1 52 52 THR N N 52 115.352 115.352 112.024 3.328 18237 2881 1 10 . 1 1 52 52 THR HA H 52 4.031 4.031 3.977 0.054 18237 2882 1 10 . 1 1 52 52 THR C C 52 176.095 176.095 176.254 -0.159 18237 2883 1 10 . 1 1 52 52 THR CA C 52 65.148 65.148 65.267 -0.119 18237 2884 1 10 . 1 1 52 52 THR CB C 52 68.277 68.277 67.714 0.563 18237 2885 1 10 . 1 1 52 52 THR H H 52 8.009 8.009 7.110 0.899 18237 2886 1 10 . 1 1 53 53 ASN N N 53 119.874 119.874 120.768 -0.894 18237 2887 1 10 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.153 0.483 18237 2888 1 10 . 1 1 53 53 ASN C C 53 176.530 176.530 176.919 -0.389 18237 2889 1 10 . 1 1 53 53 ASN CA C 53 54.457 54.457 55.522 -1.065 18237 2890 1 10 . 1 1 53 53 ASN CB C 53 37.802 37.802 37.492 0.310 18237 2891 1 10 . 1 1 53 53 ASN H H 53 7.972 7.972 6.792 1.180 18237 2892 1 10 . 1 1 54 54 TRP N N 54 120.192 120.192 119.596 0.596 18237 2893 1 10 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.430 0.225 18237 2894 1 10 . 1 1 54 54 TRP CA C 54 58.643 58.643 59.191 -0.548 18237 2895 1 10 . 1 1 54 54 TRP CB C 54 29.165 29.165 29.128 0.037 18237 2896 1 10 . 1 1 54 54 TRP H H 54 7.897 7.897 7.277 0.620 18237 2897 1 10 . 1 1 55 55 LEU N N 55 118.354 118.354 121.372 -3.018 18237 2898 1 10 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.954 0.134 18237 2899 1 10 . 1 1 55 55 LEU C C 55 177.975 177.975 178.684 -0.709 18237 2900 1 10 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.321 -1.851 18237 2901 1 10 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.520 -0.622 18237 2902 1 10 . 1 1 55 55 LEU H H 55 7.931 7.931 7.960 -0.029 18237 2903 1 10 . 1 1 56 56 TRP N N 56 118.335 118.335 117.632 0.703 18237 2904 1 10 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.314 0.053 18237 2905 1 10 . 1 1 56 56 TRP C C 56 176.863 176.863 178.371 -1.508 18237 2906 1 10 . 1 1 56 56 TRP CA C 56 59.070 59.070 61.040 -1.970 18237 2907 1 10 . 1 1 56 56 TRP CB C 56 28.839 28.839 28.648 0.192 18237 2908 1 10 . 1 1 56 56 TRP H H 56 7.665 7.665 7.890 -0.225 18237 2909 1 10 . 1 1 57 57 TYR N N 57 116.808 116.808 119.401 -2.593 18237 2910 1 10 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.359 -0.187 18237 2911 1 10 . 1 1 57 57 TYR C C 57 176.085 176.085 177.139 -1.054 18237 2912 1 10 . 1 1 57 57 TYR CA C 57 59.865 59.865 60.932 -1.067 18237 2913 1 10 . 1 1 57 57 TYR CB C 57 38.563 38.563 39.006 -0.443 18237 2914 1 10 . 1 1 57 57 TYR H H 57 7.578 7.578 7.449 0.129 18237 2915 1 10 . 1 1 58 58 ILE N N 58 115.526 115.526 112.997 2.529 18237 2916 1 10 . 1 1 58 58 ILE HA H 58 4.265 4.265 4.326 -0.061 18237 2917 1 10 . 1 1 58 58 ILE C C 58 174.782 174.782 176.203 -1.421 18237 2918 1 10 . 1 1 58 58 ILE CA C 58 60.940 60.940 61.388 -0.448 18237 2919 1 10 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.431 -0.249 18237 2920 1 10 . 1 1 58 58 ILE H H 58 7.586 7.586 8.465 -0.879 18237 2921 1 11 . 1 1 2 2 TYR N N 2 120.470 120.470 118.551 1.919 18237 2922 1 11 . 1 1 2 2 TYR C C 2 176.535 176.535 174.734 1.801 18237 2923 1 11 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.562 -1.567 18237 2924 1 11 . 1 1 2 2 TYR CB C 2 37.313 37.313 40.090 -2.777 18237 2925 1 11 . 1 1 2 2 TYR H H 2 7.951 7.951 8.069 -0.118 18237 2926 1 11 . 1 1 3 3 ILE N N 3 118.307 118.307 121.070 -2.763 18237 2927 1 11 . 1 1 3 3 ILE CA C 3 58.968 58.968 58.862 0.106 18237 2928 1 11 . 1 1 3 3 ILE CB C 3 38.074 38.074 37.788 0.286 18237 2929 1 11 . 1 1 3 3 ILE H H 3 8.381 8.381 7.877 0.504 18237 2930 1 11 . 1 1 5 5 GLU N N 5 118.785 118.785 116.209 2.576 18237 2931 1 11 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.037 0.218 18237 2932 1 11 . 1 1 5 5 GLU C C 5 176.267 176.267 174.860 1.407 18237 2933 1 11 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.818 -0.859 18237 2934 1 11 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.181 -0.147 18237 2935 1 11 . 1 1 5 5 GLU H H 5 7.710 7.710 8.553 -0.843 18237 2936 1 11 . 1 1 6 6 ALA N N 6 131.546 131.546 125.586 5.960 18237 2937 1 11 . 1 1 6 6 ALA HA H 6 3.575 3.575 3.586 -0.011 18237 2938 1 11 . 1 1 6 6 ALA CA C 6 50.959 50.959 50.781 0.178 18237 2939 1 11 . 1 1 6 6 ALA CB C 6 14.389 14.389 18.825 -4.436 18237 2940 1 11 . 1 1 6 6 ALA H H 6 8.338 8.338 8.396 -0.058 18237 2941 1 11 . 1 1 8 8 ARG N N 8 126.915 126.915 121.901 5.014 18237 2942 1 11 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.508 -0.438 18237 2943 1 11 . 1 1 8 8 ARG C C 8 175.110 175.110 175.272 -0.162 18237 2944 1 11 . 1 1 8 8 ARG CA C 8 54.699 54.699 56.053 -1.354 18237 2945 1 11 . 1 1 8 8 ARG CB C 8 28.078 28.078 31.582 -3.504 18237 2946 1 11 . 1 1 8 8 ARG H H 8 8.725 8.725 8.416 0.309 18237 2947 1 11 . 1 1 9 9 ASP N N 9 123.653 123.653 125.185 -1.532 18237 2948 1 11 . 1 1 9 9 ASP C C 9 178.015 178.015 177.016 0.999 18237 2949 1 11 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.239 -1.492 18237 2950 1 11 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.536 -0.692 18237 2951 1 11 . 1 1 9 9 ASP H H 9 8.432 8.432 8.695 -0.263 18237 2952 1 11 . 1 1 10 10 GLY N N 10 111.908 111.908 107.668 4.240 18237 2953 1 11 . 1 1 10 10 GLY C C 10 174.822 174.822 174.970 -0.148 18237 2954 1 11 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.183 0.061 18237 2955 1 11 . 1 1 10 10 GLY H H 10 9.727 9.727 8.591 1.136 18237 2956 1 11 . 1 1 11 11 GLN N N 11 118.395 118.395 120.666 -2.271 18237 2957 1 11 . 1 1 11 11 GLN C C 11 174.711 174.711 174.651 0.060 18237 2958 1 11 . 1 1 11 11 GLN CA C 11 53.398 53.398 54.349 -0.951 18237 2959 1 11 . 1 1 11 11 GLN CB C 11 30.306 30.306 30.040 0.266 18237 2960 1 11 . 1 1 11 11 GLN H H 11 8.416 8.416 7.907 0.509 18237 2961 1 11 . 1 1 12 12 ALA N N 12 121.020 121.020 121.727 -0.707 18237 2962 1 11 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.181 0.762 18237 2963 1 11 . 1 1 12 12 ALA C C 12 177.990 177.990 175.137 2.853 18237 2964 1 11 . 1 1 12 12 ALA CA C 12 50.511 50.511 50.798 -0.287 18237 2965 1 11 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.679 -0.532 18237 2966 1 11 . 1 1 12 12 ALA H H 12 7.933 7.933 8.000 -0.067 18237 2967 1 11 . 1 1 13 13 TYR N N 13 121.755 121.755 119.186 2.569 18237 2968 1 11 . 1 1 13 13 TYR C C 13 175.519 175.519 174.628 0.891 18237 2969 1 11 . 1 1 13 13 TYR CA C 13 59.090 59.090 56.347 2.743 18237 2970 1 11 . 1 1 13 13 TYR CB C 13 43.180 43.180 41.167 2.013 18237 2971 1 11 . 1 1 13 13 TYR H H 13 9.575 9.575 8.204 1.371 18237 2972 1 11 . 1 1 14 14 VAL N N 14 112.251 112.251 120.230 -7.979 18237 2973 1 11 . 1 1 14 14 VAL C C 14 174.074 174.074 174.646 -0.572 18237 2974 1 11 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.340 -0.249 18237 2975 1 11 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.013 -2.263 18237 2976 1 11 . 1 1 14 14 VAL H H 14 9.659 9.659 8.852 0.807 18237 2977 1 11 . 1 1 15 15 ARG N N 15 124.657 124.657 123.083 1.574 18237 2978 1 11 . 1 1 15 15 ARG C C 15 174.948 174.948 174.947 0.001 18237 2979 1 11 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.926 -2.406 18237 2980 1 11 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.247 2.286 18237 2981 1 11 . 1 1 15 15 ARG H H 15 8.503 8.503 8.588 -0.085 18237 2982 1 11 . 1 1 16 16 LYS N N 16 128.240 128.240 127.673 0.567 18237 2983 1 11 . 1 1 16 16 LYS C C 16 175.974 175.974 175.440 0.534 18237 2984 1 11 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.650 0.126 18237 2985 1 11 . 1 1 16 16 LYS CB C 16 36.553 36.553 34.943 1.610 18237 2986 1 11 . 1 1 16 16 LYS H H 16 9.052 9.052 8.734 0.318 18237 2987 1 11 . 1 1 17 17 ASP N N 17 130.562 130.562 127.543 3.019 18237 2988 1 11 . 1 1 17 17 ASP C C 17 175.822 175.822 176.439 -0.617 18237 2989 1 11 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.774 1.673 18237 2990 1 11 . 1 1 17 17 ASP CB C 17 40.192 40.192 39.969 0.223 18237 2991 1 11 . 1 1 17 17 ASP H H 17 10.886 10.886 9.026 1.860 18237 2992 1 11 . 1 1 18 18 GLY N N 18 104.754 104.754 105.128 -0.374 18237 2993 1 11 . 1 1 18 18 GLY C C 18 173.104 173.104 173.229 -0.125 18237 2994 1 11 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.383 -0.139 18237 2995 1 11 . 1 1 18 18 GLY H H 18 9.353 9.353 8.252 1.101 18237 2996 1 11 . 1 1 19 19 GLU N N 19 117.501 117.501 117.824 -0.323 18237 2997 1 11 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.294 0.354 18237 2998 1 11 . 1 1 19 19 GLU C C 19 176.166 176.166 174.259 1.907 18237 2999 1 11 . 1 1 19 19 GLU CA C 19 53.865 53.865 54.407 -0.542 18237 3000 1 11 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.262 -0.132 18237 3001 1 11 . 1 1 19 19 GLU H H 19 7.813 7.813 7.747 0.066 18237 3002 1 11 . 1 1 20 20 TRP N N 20 122.768 122.768 123.633 -0.865 18237 3003 1 11 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.534 -0.867 18237 3004 1 11 . 1 1 20 20 TRP C C 20 176.302 176.302 176.506 -0.204 18237 3005 1 11 . 1 1 20 20 TRP CA C 20 55.878 55.878 56.186 -0.308 18237 3006 1 11 . 1 1 20 20 TRP CB C 20 29.545 29.545 30.139 -0.594 18237 3007 1 11 . 1 1 20 20 TRP H H 20 9.094 9.094 8.412 0.682 18237 3008 1 11 . 1 1 21 21 VAL N N 21 123.071 123.071 124.982 -1.911 18237 3009 1 11 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.503 0.482 18237 3010 1 11 . 1 1 21 21 VAL C C 21 175.640 175.640 175.594 0.046 18237 3011 1 11 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.954 -1.417 18237 3012 1 11 . 1 1 21 21 VAL CB C 21 34.651 34.651 35.045 -0.394 18237 3013 1 11 . 1 1 21 21 VAL H H 21 9.868 9.868 8.424 1.444 18237 3014 1 11 . 1 1 22 22 LEU N N 22 127.193 127.193 128.916 -1.723 18237 3015 1 11 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.502 -0.080 18237 3016 1 11 . 1 1 22 22 LEU C C 22 179.268 179.268 179.057 0.211 18237 3017 1 11 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.634 0.000 18237 3018 1 11 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.157 0.122 18237 3019 1 11 . 1 1 22 22 LEU H H 22 8.812 8.812 9.088 -0.276 18237 3020 1 11 . 1 1 23 23 LEU N N 23 126.386 126.386 125.784 0.602 18237 3021 1 11 . 1 1 23 23 LEU C C 23 178.844 178.844 178.817 0.027 18237 3022 1 11 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.490 -1.087 18237 3023 1 11 . 1 1 23 23 LEU CB C 23 41.061 41.061 41.309 -0.248 18237 3024 1 11 . 1 1 23 23 LEU H H 23 8.562 8.562 8.324 0.238 18237 3025 1 11 . 1 1 24 24 SER N N 24 113.100 113.100 115.026 -1.926 18237 3026 1 11 . 1 1 24 24 SER HA H 24 4.621 4.621 4.109 0.512 18237 3027 1 11 . 1 1 24 24 SER C C 24 176.676 176.676 176.034 0.642 18237 3028 1 11 . 1 1 24 24 SER CA C 24 60.960 60.960 61.444 -0.484 18237 3029 1 11 . 1 1 24 24 SER CB C 24 61.650 61.650 62.444 -0.794 18237 3030 1 11 . 1 1 24 24 SER H H 24 9.098 9.098 8.604 0.494 18237 3031 1 11 . 1 1 25 25 THR N N 25 116.715 116.715 115.537 1.178 18237 3032 1 11 . 1 1 25 25 THR HA H 25 3.915 3.915 4.136 -0.221 18237 3033 1 11 . 1 1 25 25 THR CA C 25 64.599 64.599 64.880 -0.281 18237 3034 1 11 . 1 1 25 25 THR CB C 25 68.657 68.657 68.359 0.298 18237 3035 1 11 . 1 1 25 25 THR H H 25 7.238 7.238 8.122 -0.884 18237 3036 1 11 . 1 1 26 26 PHE N N 26 118.488 118.488 119.944 -1.456 18237 3037 1 11 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.496 -0.386 18237 3038 1 11 . 1 1 26 26 PHE C C 26 176.181 176.181 176.915 -0.734 18237 3039 1 11 . 1 1 26 26 PHE CA C 26 58.627 58.627 60.191 -1.564 18237 3040 1 11 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.630 0.163 18237 3041 1 11 . 1 1 26 26 PHE H H 26 7.945 7.945 8.557 -0.612 18237 3042 1 11 . 1 1 27 27 LEU N N 27 118.525 118.525 119.868 -1.343 18237 3043 1 11 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.316 0.207 18237 3044 1 11 . 1 1 27 27 LEU C C 27 177.752 177.752 177.805 -0.053 18237 3045 1 11 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.713 -1.034 18237 3046 1 11 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.464 -1.131 18237 3047 1 11 . 1 1 27 27 LEU H H 27 7.290 7.290 7.688 -0.398 18237 3048 1 11 . 1 1 28 28 GLY N N 28 108.823 108.823 106.669 2.154 18237 3049 1 11 . 1 1 28 28 GLY C C 28 174.630 174.630 174.061 0.569 18237 3050 1 11 . 1 1 28 28 GLY CA C 28 45.374 45.374 44.854 0.520 18237 3051 1 11 . 1 1 28 28 GLY H H 28 8.242 8.242 7.711 0.531 18237 3052 1 11 . 1 1 29 29 SER N N 29 116.210 116.210 115.353 0.857 18237 3053 1 11 . 1 1 29 29 SER HA H 29 4.626 4.626 4.600 0.026 18237 3054 1 11 . 1 1 29 29 SER C C 29 175.312 175.312 174.679 0.633 18237 3055 1 11 . 1 1 29 29 SER CA C 29 57.992 57.992 58.126 -0.133 18237 3056 1 11 . 1 1 29 29 SER CB C 29 63.605 63.605 64.090 -0.485 18237 3057 1 11 . 1 1 29 29 SER H H 29 8.310 8.310 7.576 0.734 18237 3058 1 11 . 1 1 30 30 SER N N 30 118.892 118.892 114.879 4.013 18237 3059 1 11 . 1 1 30 30 SER HA H 30 4.597 4.597 4.277 0.320 18237 3060 1 11 . 1 1 30 30 SER C C 30 175.479 175.479 173.961 1.518 18237 3061 1 11 . 1 1 30 30 SER CA C 30 58.582 58.582 59.700 -1.118 18237 3062 1 11 . 1 1 30 30 SER CB C 30 63.605 63.605 61.365 2.240 18237 3063 1 11 . 1 1 30 30 SER H H 30 8.593 8.593 8.777 -0.184 18237 3064 1 11 . 1 1 31 31 GLY N N 31 111.354 111.354 107.665 3.689 18237 3065 1 11 . 1 1 31 31 GLY C C 31 174.428 174.428 173.463 0.965 18237 3066 1 11 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.721 -0.265 18237 3067 1 11 . 1 1 31 31 GLY H H 31 8.584 8.584 8.171 0.413 18237 3068 1 11 . 1 1 32 32 ASN N N 32 119.486 119.486 117.607 1.879 18237 3069 1 11 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.767 0.050 18237 3070 1 11 . 1 1 32 32 ASN C C 32 175.928 175.928 176.009 -0.081 18237 3071 1 11 . 1 1 32 32 ASN CA C 32 53.215 53.215 53.262 -0.047 18237 3072 1 11 . 1 1 32 32 ASN CB C 32 38.780 38.780 39.229 -0.449 18237 3073 1 11 . 1 1 32 32 ASN H H 32 8.393 8.393 8.192 0.201 18237 3074 1 11 . 1 1 33 33 GLU N N 33 122.031 122.031 120.646 1.385 18237 3075 1 11 . 1 1 33 33 GLU HA H 33 4.271 4.271 3.988 0.283 18237 3076 1 11 . 1 1 33 33 GLU CA C 33 57.426 57.426 59.134 -1.708 18237 3077 1 11 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.215 0.113 18237 3078 1 11 . 1 1 33 33 GLU H H 33 8.711 8.711 8.613 0.098 18237 3079 1 11 . 1 1 34 34 GLN N N 34 120.866 120.866 117.819 3.047 18237 3080 1 11 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.042 0.229 18237 3081 1 11 . 1 1 34 34 GLN CA C 34 56.226 56.226 59.073 -2.847 18237 3082 1 11 . 1 1 34 34 GLN CB C 34 28.839 28.839 27.932 0.907 18237 3083 1 11 . 1 1 34 34 GLN H H 34 8.438 8.438 8.304 0.134 18237 3084 1 11 . 1 1 35 35 GLU N N 35 122.323 122.323 119.482 2.841 18237 3085 1 11 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.119 0.200 18237 3086 1 11 . 1 1 35 35 GLU C C 35 177.176 177.176 179.121 -1.945 18237 3087 1 11 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.818 -1.822 18237 3088 1 11 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.343 0.202 18237 3089 1 11 . 1 1 35 35 GLU H H 35 8.424 8.424 7.796 0.628 18237 3090 1 11 . 1 1 36 36 LEU N N 36 122.904 122.904 117.520 5.384 18237 3091 1 11 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.090 0.229 18237 3092 1 11 . 1 1 36 36 LEU CA C 36 55.898 55.898 56.809 -0.911 18237 3093 1 11 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.878 -0.382 18237 3094 1 11 . 1 1 36 36 LEU H H 36 8.342 8.342 7.333 1.009 18237 3095 1 11 . 1 1 38 38 GLU N N 38 121.931 121.931 120.992 0.939 18237 3096 1 11 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.079 0.317 18237 3097 1 11 . 1 1 38 38 GLU C C 38 177.318 177.318 178.210 -0.892 18237 3098 1 11 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.642 -3.276 18237 3099 1 11 . 1 1 38 38 GLU CB C 38 29.328 29.328 30.003 -0.675 18237 3100 1 11 . 1 1 38 38 GLU H H 38 8.342 8.342 8.158 0.184 18237 3101 1 11 . 1 1 39 39 LEU N N 39 123.317 123.317 119.552 3.765 18237 3102 1 11 . 1 1 39 39 LEU HA H 39 4.348 4.348 2.445 1.903 18237 3103 1 11 . 1 1 39 39 LEU CA C 39 56.833 56.833 58.080 -1.247 18237 3104 1 11 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.455 -0.067 18237 3105 1 11 . 1 1 39 39 LEU H H 39 8.342 8.342 6.929 1.413 18237 3106 1 11 . 1 1 40 40 ASP N N 40 119.726 119.726 116.132 3.594 18237 3107 1 11 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.234 0.337 18237 3108 1 11 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.371 -1.782 18237 3109 1 11 . 1 1 40 40 ASP H H 40 8.530 8.530 8.453 0.077 18237 3110 1 11 . 1 1 41 41 LYS N N 41 121.200 121.200 119.425 1.775 18237 3111 1 11 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.315 -0.151 18237 3112 1 11 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.356 -0.136 18237 3113 1 11 . 1 1 41 41 LYS H H 41 8.145 8.145 7.717 0.428 18237 3114 1 11 . 1 1 42 42 TRP N N 42 120.615 120.615 120.599 0.016 18237 3115 1 11 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.484 0.113 18237 3116 1 11 . 1 1 42 42 TRP C C 42 177.641 177.641 178.443 -0.802 18237 3117 1 11 . 1 1 42 42 TRP CA C 42 58.561 58.561 58.600 -0.039 18237 3118 1 11 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.173 0.666 18237 3119 1 11 . 1 1 42 42 TRP H H 42 8.025 8.025 8.431 -0.406 18237 3120 1 11 . 1 1 43 43 ALA N N 43 122.056 122.056 120.973 1.083 18237 3121 1 11 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.087 0.053 18237 3122 1 11 . 1 1 43 43 ALA C C 43 172.776 172.776 179.831 -7.055 18237 3123 1 11 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.345 -0.481 18237 3124 1 11 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.816 0.158 18237 3125 1 11 . 1 1 43 43 ALA H H 43 8.199 8.199 8.001 0.198 18237 3126 1 11 . 1 1 44 44 SER N N 44 113.378 113.378 115.657 -2.279 18237 3127 1 11 . 1 1 44 44 SER HA H 44 4.376 4.376 4.231 0.145 18237 3128 1 11 . 1 1 44 44 SER C C 44 176.767 176.767 176.818 -0.051 18237 3129 1 11 . 1 1 44 44 SER CA C 44 60.980 60.980 62.132 -1.152 18237 3130 1 11 . 1 1 44 44 SER CB C 44 62.410 62.410 62.865 -0.455 18237 3131 1 11 . 1 1 44 44 SER H H 44 8.210 8.210 8.181 0.029 18237 3132 1 11 . 1 1 45 45 LEU N N 45 123.425 123.425 122.895 0.530 18237 3133 1 11 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.256 -0.062 18237 3134 1 11 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.965 -0.359 18237 3135 1 11 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.729 -0.559 18237 3136 1 11 . 1 1 45 45 LEU H H 45 7.906 7.906 7.609 0.297 18237 3137 1 11 . 1 1 46 46 TRP N N 46 118.572 118.572 118.306 0.266 18237 3138 1 11 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.450 0.205 18237 3139 1 11 . 1 1 46 46 TRP C C 46 177.838 177.838 178.685 -0.847 18237 3140 1 11 . 1 1 46 46 TRP CA C 46 58.907 58.907 61.005 -2.098 18237 3141 1 11 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.452 -0.233 18237 3142 1 11 . 1 1 46 46 TRP H H 46 8.043 8.043 8.400 -0.357 18237 3143 1 11 . 1 1 47 47 ASN N N 47 116.564 116.564 117.991 -1.427 18237 3144 1 11 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.746 -0.120 18237 3145 1 11 . 1 1 47 47 ASN C C 47 176.904 176.904 177.775 -0.871 18237 3146 1 11 . 1 1 47 47 ASN CA C 47 55.045 55.045 56.042 -0.997 18237 3147 1 11 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.884 -0.321 18237 3148 1 11 . 1 1 47 47 ASN H H 47 8.174 8.174 8.706 -0.532 18237 3149 1 11 . 1 1 48 48 TRP N N 48 121.421 121.421 120.464 0.957 18237 3150 1 11 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.726 -0.359 18237 3151 1 11 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.078 1.439 18237 3152 1 11 . 1 1 48 48 TRP CB C 48 28.893 28.893 29.248 -0.355 18237 3153 1 11 . 1 1 48 48 TRP H H 48 8.145 8.145 8.241 -0.096 18237 3154 1 11 . 1 1 49 49 PHE N N 49 118.299 118.299 122.636 -4.337 18237 3155 1 11 . 1 1 49 49 PHE HA H 49 4.252 4.252 3.773 0.479 18237 3156 1 11 . 1 1 49 49 PHE C C 49 175.565 175.565 174.541 1.024 18237 3157 1 11 . 1 1 49 49 PHE CA C 49 58.887 58.887 57.315 1.572 18237 3158 1 11 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.752 -0.081 18237 3159 1 11 . 1 1 49 49 PHE H H 49 8.036 8.036 7.866 0.170 18237 3160 1 11 . 1 1 50 50 ASN N N 50 118.836 118.836 119.307 -0.471 18237 3161 1 11 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.114 0.512 18237 3162 1 11 . 1 1 50 50 ASN C C 50 176.439 176.439 176.838 -0.399 18237 3163 1 11 . 1 1 50 50 ASN CA C 50 53.215 53.215 55.003 -1.788 18237 3164 1 11 . 1 1 50 50 ASN CB C 50 38.128 38.128 37.357 0.771 18237 3165 1 11 . 1 1 50 50 ASN H H 50 7.795 7.795 7.734 0.061 18237 3166 1 11 . 1 1 51 51 ILE N N 51 120.218 120.218 115.603 4.615 18237 3167 1 11 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.821 -0.030 18237 3168 1 11 . 1 1 51 51 ILE C C 51 177.202 177.202 177.010 0.192 18237 3169 1 11 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.632 -1.530 18237 3170 1 11 . 1 1 51 51 ILE CB C 51 37.367 37.367 36.955 0.412 18237 3171 1 11 . 1 1 51 51 ILE H H 51 8.147 8.147 7.003 1.144 18237 3172 1 11 . 1 1 52 52 THR N N 52 115.352 115.352 112.499 2.853 18237 3173 1 11 . 1 1 52 52 THR HA H 52 4.031 4.031 3.667 0.364 18237 3174 1 11 . 1 1 52 52 THR C C 52 176.095 176.095 176.403 -0.308 18237 3175 1 11 . 1 1 52 52 THR CA C 52 65.148 65.148 64.998 0.150 18237 3176 1 11 . 1 1 52 52 THR CB C 52 68.277 68.277 67.893 0.384 18237 3177 1 11 . 1 1 52 52 THR H H 52 8.009 8.009 7.122 0.887 18237 3178 1 11 . 1 1 53 53 ASN N N 53 119.874 119.874 121.495 -1.621 18237 3179 1 11 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.377 0.259 18237 3180 1 11 . 1 1 53 53 ASN C C 53 176.530 176.530 177.043 -0.513 18237 3181 1 11 . 1 1 53 53 ASN CA C 53 54.457 54.457 55.711 -1.254 18237 3182 1 11 . 1 1 53 53 ASN CB C 53 37.802 37.802 37.762 0.040 18237 3183 1 11 . 1 1 53 53 ASN H H 53 7.972 7.972 7.081 0.891 18237 3184 1 11 . 1 1 54 54 TRP N N 54 120.192 120.192 119.786 0.406 18237 3185 1 11 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.522 0.133 18237 3186 1 11 . 1 1 54 54 TRP CA C 54 58.643 58.643 58.615 0.028 18237 3187 1 11 . 1 1 54 54 TRP CB C 54 29.165 29.165 29.268 -0.103 18237 3188 1 11 . 1 1 54 54 TRP H H 54 7.897 7.897 7.382 0.515 18237 3189 1 11 . 1 1 55 55 LEU N N 55 118.354 118.354 122.001 -3.647 18237 3190 1 11 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.679 0.409 18237 3191 1 11 . 1 1 55 55 LEU C C 55 177.975 177.975 178.253 -0.278 18237 3192 1 11 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.455 -1.985 18237 3193 1 11 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.455 -0.556 18237 3194 1 11 . 1 1 55 55 LEU H H 55 7.931 7.931 7.776 0.155 18237 3195 1 11 . 1 1 56 56 TRP N N 56 118.335 118.335 116.449 1.886 18237 3196 1 11 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.307 0.060 18237 3197 1 11 . 1 1 56 56 TRP C C 56 176.863 176.863 178.372 -1.509 18237 3198 1 11 . 1 1 56 56 TRP CA C 56 59.070 59.070 59.571 -0.501 18237 3199 1 11 . 1 1 56 56 TRP CB C 56 28.839 28.839 29.128 -0.288 18237 3200 1 11 . 1 1 56 56 TRP H H 56 7.665 7.665 7.249 0.416 18237 3201 1 11 . 1 1 57 57 TYR N N 57 116.808 116.808 118.360 -1.552 18237 3202 1 11 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.397 -0.225 18237 3203 1 11 . 1 1 57 57 TYR C C 57 176.085 176.085 176.801 -0.716 18237 3204 1 11 . 1 1 57 57 TYR CA C 57 59.865 59.865 60.455 -0.590 18237 3205 1 11 . 1 1 57 57 TYR CB C 57 38.563 38.563 39.035 -0.472 18237 3206 1 11 . 1 1 57 57 TYR H H 57 7.578 7.578 7.419 0.159 18237 3207 1 11 . 1 1 58 58 ILE N N 58 115.526 115.526 117.449 -1.923 18237 3208 1 11 . 1 1 58 58 ILE HA H 58 4.265 4.265 4.158 0.107 18237 3209 1 11 . 1 1 58 58 ILE C C 58 174.782 174.782 175.457 -0.675 18237 3210 1 11 . 1 1 58 58 ILE CA C 58 60.940 60.940 61.624 -0.684 18237 3211 1 11 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.760 -0.578 18237 3212 1 11 . 1 1 58 58 ILE H H 58 7.586 7.586 8.267 -0.681 18237 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 54 2.494 -0.498 2.466 18237 2 1 1 "Average Difference" HA 44 0.346 -0.130 0.325 18237 3 1 1 "Average Difference" C 42 1.463 0.119 1.476 18237 4 1 1 "Average Difference" CA 54 1.413 0.829 1.156 18237 5 1 1 "Average Difference" CB 48 1.283 0.370 1.241 18237 6 1 1 "Average Difference" HN 54 0.653 -0.273 0.599 18237 7 1 2 "Average Difference" N 54 2.740 -0.476 2.724 18237 8 1 2 "Average Difference" HA 44 0.454 -0.153 0.433 18237 9 1 2 "Average Difference" C 42 1.417 0.244 1.412 18237 10 1 2 "Average Difference" CA 54 1.285 0.699 1.089 18237 11 1 2 "Average Difference" CB 48 1.196 0.240 1.184 18237 12 1 2 "Average Difference" HN 54 0.657 -0.279 0.601 18237 13 1 3 "Average Difference" N 54 3.000 -0.727 2.938 18237 14 1 3 "Average Difference" HA 44 0.457 -0.166 0.430 18237 15 1 3 "Average Difference" C 42 1.322 0.267 1.311 18237 16 1 3 "Average Difference" CA 54 1.321 0.751 1.097 18237 17 1 3 "Average Difference" CB 48 1.201 0.191 1.198 18237 18 1 3 "Average Difference" HN 54 0.689 -0.283 0.634 18237 19 1 4 "Average Difference" N 54 3.451 -0.930 3.355 18237 20 1 4 "Average Difference" HA 44 0.424 -0.169 0.393 18237 21 1 4 "Average Difference" C 42 1.344 0.132 1.354 18237 22 1 4 "Average Difference" CA 54 1.254 0.771 0.998 18237 23 1 4 "Average Difference" CB 48 0.978 0.168 0.973 18237 24 1 4 "Average Difference" HN 54 0.678 -0.349 0.587 18237 25 1 5 "Average Difference" N 54 3.139 -0.617 3.106 18237 26 1 5 "Average Difference" HA 44 0.500 -0.210 0.459 18237 27 1 5 "Average Difference" C 42 1.368 0.148 1.377 18237 28 1 5 "Average Difference" CA 54 1.317 0.620 1.173 18237 29 1 5 "Average Difference" CB 48 1.264 0.159 1.267 18237 30 1 5 "Average Difference" HN 54 0.698 -0.320 0.626 18237 31 1 6 "Average Difference" N 54 2.811 -0.607 2.770 18237 32 1 6 "Average Difference" HA 44 0.349 -0.089 0.341 18237 33 1 6 "Average Difference" C 42 1.382 0.090 1.396 18237 34 1 6 "Average Difference" CA 54 1.355 0.808 1.098 18237 35 1 6 "Average Difference" CB 48 1.179 0.231 1.169 18237 36 1 6 "Average Difference" HN 54 0.695 -0.286 0.639 18237 37 1 7 "Average Difference" N 54 2.781 -0.388 2.779 18237 38 1 7 "Average Difference" HA 44 0.351 -0.158 0.318 18237 39 1 7 "Average Difference" C 42 1.394 0.139 1.404 18237 40 1 7 "Average Difference" CA 54 1.371 0.748 1.160 18237 41 1 7 "Average Difference" CB 48 1.270 0.269 1.254 18237 42 1 7 "Average Difference" HN 54 0.692 -0.339 0.609 18237 43 1 8 "Average Difference" N 54 2.753 -0.515 2.730 18237 44 1 8 "Average Difference" HA 44 0.328 -0.135 0.302 18237 45 1 8 "Average Difference" C 42 1.456 0.126 1.468 18237 46 1 8 "Average Difference" CA 54 1.484 0.858 1.222 18237 47 1 8 "Average Difference" CB 48 1.197 0.329 1.163 18237 48 1 8 "Average Difference" HN 54 0.649 -0.276 0.593 18237 49 1 9 "Average Difference" N 54 2.729 -0.380 2.728 18237 50 1 9 "Average Difference" HA 44 0.469 -0.129 0.456 18237 51 1 9 "Average Difference" C 42 1.438 0.165 1.446 18237 52 1 9 "Average Difference" CA 54 1.216 0.711 0.996 18237 53 1 9 "Average Difference" CB 48 1.264 0.248 1.252 18237 54 1 9 "Average Difference" HN 54 0.686 -0.333 0.605 18237 55 1 10 "Average Difference" N 54 2.994 -0.714 2.935 18237 56 1 10 "Average Difference" HA 44 0.380 -0.165 0.347 18237 57 1 10 "Average Difference" C 42 1.425 0.169 1.432 18237 58 1 10 "Average Difference" CA 54 1.337 0.708 1.145 18237 59 1 10 "Average Difference" CB 48 1.029 0.164 1.027 18237 60 1 10 "Average Difference" HN 54 0.712 -0.300 0.651 18237 61 1 11 "Average Difference" N 54 2.741 -0.643 2.689 18237 62 1 11 "Average Difference" HA 44 0.432 -0.166 0.403 18237 63 1 11 "Average Difference" C 42 1.433 0.078 1.448 18237 64 1 11 "Average Difference" CA 54 1.276 0.670 1.096 18237 65 1 11 "Average Difference" CB 48 1.211 0.220 1.203 18237 66 1 11 "Average Difference" HN 54 0.661 -0.292 0.598 18237 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 18237 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 TYR N N 2 120.470 120.470 120.006 0.464 18237 2 1 . 1 1 2 2 TYR C C 2 176.535 176.535 175.524 1.011 18237 3 1 . 1 1 2 2 TYR CA C 2 55.995 55.995 57.461 -1.466 18237 4 1 . 1 1 2 2 TYR CB C 2 37.313 37.313 39.506 -2.193 18237 5 1 . 1 1 2 2 TYR H H 2 7.951 7.951 7.980 -0.029 18237 6 1 . 1 1 3 3 ILE N N 3 118.307 118.307 120.511 -2.204 18237 7 1 . 1 1 3 3 ILE CA C 3 58.968 58.968 60.288 -1.320 18237 8 1 . 1 1 3 3 ILE CB C 3 38.074 38.074 37.556 0.518 18237 9 1 . 1 1 3 3 ILE H H 3 8.381 8.381 8.210 0.171 18237 10 1 . 1 1 5 5 GLU N N 5 118.785 118.785 120.586 -1.801 18237 11 1 . 1 1 5 5 GLU HA H 5 4.255 4.255 4.277 -0.022 18237 12 1 . 1 1 5 5 GLU C C 5 176.267 176.267 174.693 1.574 18237 13 1 . 1 1 5 5 GLU CA C 5 55.959 55.959 56.738 -0.779 18237 14 1 . 1 1 5 5 GLU CB C 5 30.034 30.034 30.483 -0.449 18237 15 1 . 1 1 5 5 GLU H H 5 7.710 7.710 8.406 -0.696 18237 16 1 . 1 1 6 6 ALA N N 6 131.546 131.546 124.062 7.484 18237 17 1 . 1 1 6 6 ALA HA H 6 3.575 3.575 3.765 -0.190 18237 18 1 . 1 1 6 6 ALA CA C 6 50.959 50.959 50.699 0.260 18237 19 1 . 1 1 6 6 ALA CB C 6 14.389 14.389 18.863 -4.474 18237 20 1 . 1 1 6 6 ALA H H 6 8.338 8.338 8.075 0.263 18237 21 1 . 1 1 8 8 ARG N N 8 126.915 126.915 121.610 5.305 18237 22 1 . 1 1 8 8 ARG HA H 8 4.070 4.070 4.504 -0.434 18237 23 1 . 1 1 8 8 ARG C C 8 175.110 175.110 175.194 -0.084 18237 24 1 . 1 1 8 8 ARG CA C 8 54.699 54.699 55.823 -1.124 18237 25 1 . 1 1 8 8 ARG CB C 8 28.078 28.078 30.982 -2.904 18237 26 1 . 1 1 8 8 ARG H H 8 8.725 8.725 8.342 0.383 18237 27 1 . 1 1 9 9 ASP N N 9 123.653 123.653 124.070 -0.417 18237 28 1 . 1 1 9 9 ASP C C 9 178.015 178.015 177.046 0.969 18237 29 1 . 1 1 9 9 ASP CA C 9 52.747 52.747 54.220 -1.473 18237 30 1 . 1 1 9 9 ASP CB C 9 40.844 40.844 41.275 -0.431 18237 31 1 . 1 1 9 9 ASP H H 9 8.432 8.432 8.602 -0.169 18237 32 1 . 1 1 10 10 GLY N N 10 111.908 111.908 107.985 3.923 18237 33 1 . 1 1 10 10 GLY C C 10 174.822 174.822 174.733 0.089 18237 34 1 . 1 1 10 10 GLY CA C 10 45.244 45.244 45.168 0.076 18237 35 1 . 1 1 10 10 GLY H H 10 9.727 9.727 8.553 1.174 18237 36 1 . 1 1 11 11 GLN N N 11 118.395 118.395 119.717 -1.322 18237 37 1 . 1 1 11 11 GLN C C 11 174.711 174.711 174.496 0.215 18237 38 1 . 1 1 11 11 GLN CA C 11 53.398 53.398 54.781 -1.383 18237 39 1 . 1 1 11 11 GLN CB C 11 30.306 30.306 29.991 0.315 18237 40 1 . 1 1 11 11 GLN H H 11 8.416 8.416 7.919 0.497 18237 41 1 . 1 1 12 12 ALA N N 12 121.020 121.020 122.636 -1.616 18237 42 1 . 1 1 12 12 ALA HA H 12 4.943 4.943 4.410 0.533 18237 43 1 . 1 1 12 12 ALA C C 12 177.990 177.990 175.249 2.741 18237 44 1 . 1 1 12 12 ALA CA C 12 50.511 50.511 51.027 -0.516 18237 45 1 . 1 1 12 12 ALA CB C 12 20.147 20.147 20.809 -0.662 18237 46 1 . 1 1 12 12 ALA H H 12 7.933 7.933 8.120 -0.187 18237 47 1 . 1 1 13 13 TYR N N 13 121.755 121.755 119.549 2.206 18237 48 1 . 1 1 13 13 TYR C C 13 175.519 175.519 174.757 0.762 18237 49 1 . 1 1 13 13 TYR CA C 13 59.090 59.090 56.670 2.420 18237 50 1 . 1 1 13 13 TYR CB C 13 43.180 43.180 41.424 1.756 18237 51 1 . 1 1 13 13 TYR H H 13 9.575 9.575 8.355 1.220 18237 52 1 . 1 1 14 14 VAL N N 14 112.251 112.251 120.738 -8.487 18237 53 1 . 1 1 14 14 VAL C C 14 174.074 174.074 174.899 -0.825 18237 54 1 . 1 1 14 14 VAL CA C 14 59.090 59.090 59.213 -0.123 18237 55 1 . 1 1 14 14 VAL CB C 14 32.750 32.750 35.178 -2.429 18237 56 1 . 1 1 14 14 VAL H H 14 9.659 9.659 8.829 0.830 18237 57 1 . 1 1 15 15 ARG N N 15 124.657 124.657 122.953 1.704 18237 58 1 . 1 1 15 15 ARG C C 15 174.948 174.948 175.321 -0.373 18237 59 1 . 1 1 15 15 ARG CA C 15 53.520 53.520 55.864 -2.344 18237 60 1 . 1 1 15 15 ARG CB C 15 32.533 32.533 30.096 2.437 18237 61 1 . 1 1 15 15 ARG H H 15 8.503 8.503 8.539 -0.036 18237 62 1 . 1 1 16 16 LYS N N 16 128.240 128.240 126.265 1.975 18237 63 1 . 1 1 16 16 LYS C C 16 175.974 175.974 175.392 0.582 18237 64 1 . 1 1 16 16 LYS CA C 16 55.776 55.776 55.724 0.052 18237 65 1 . 1 1 16 16 LYS CB C 16 36.553 36.553 35.345 1.208 18237 66 1 . 1 1 16 16 LYS H H 16 9.052 9.052 8.582 0.470 18237 67 1 . 1 1 17 17 ASP N N 17 130.562 130.562 126.517 4.045 18237 68 1 . 1 1 17 17 ASP C C 17 175.822 175.822 176.350 -0.528 18237 69 1 . 1 1 17 17 ASP CA C 17 56.447 56.447 54.785 1.662 18237 70 1 . 1 1 17 17 ASP CB C 17 40.192 40.192 39.793 0.399 18237 71 1 . 1 1 17 17 ASP H H 17 10.886 10.886 9.045 1.841 18237 72 1 . 1 1 18 18 GLY N N 18 104.754 104.754 105.205 -0.451 18237 73 1 . 1 1 18 18 GLY C C 18 173.104 173.104 173.403 -0.299 18237 74 1 . 1 1 18 18 GLY CA C 18 45.244 45.244 45.396 -0.152 18237 75 1 . 1 1 18 18 GLY H H 18 9.353 9.353 8.294 1.059 18237 76 1 . 1 1 19 19 GLU N N 19 117.501 117.501 117.908 -0.407 18237 77 1 . 1 1 19 19 GLU HA H 19 4.648 4.648 4.184 0.464 18237 78 1 . 1 1 19 19 GLU C C 19 176.166 176.166 174.581 1.585 18237 79 1 . 1 1 19 19 GLU CA C 19 53.865 53.865 53.988 -0.123 18237 80 1 . 1 1 19 19 GLU CB C 19 33.130 33.130 33.094 0.036 18237 81 1 . 1 1 19 19 GLU H H 19 7.813 7.813 8.035 -0.222 18237 82 1 . 1 1 20 20 TRP N N 20 122.768 122.768 122.584 0.184 18237 83 1 . 1 1 20 20 TRP HA H 20 4.667 4.667 5.520 -0.853 18237 84 1 . 1 1 20 20 TRP C C 20 176.302 176.302 176.295 0.007 18237 85 1 . 1 1 20 20 TRP CA C 20 55.878 55.878 55.590 0.288 18237 86 1 . 1 1 20 20 TRP CB C 20 29.545 29.545 29.522 0.023 18237 87 1 . 1 1 20 20 TRP H H 20 9.094 9.094 7.641 1.453 18237 88 1 . 1 1 21 21 VAL N N 21 123.071 123.071 124.694 -1.623 18237 89 1 . 1 1 21 21 VAL HA H 21 4.985 4.985 4.490 0.495 18237 90 1 . 1 1 21 21 VAL C C 21 175.640 175.640 175.746 -0.106 18237 91 1 . 1 1 21 21 VAL CA C 21 59.537 59.537 60.762 -1.225 18237 92 1 . 1 1 21 21 VAL CB C 21 34.651 34.651 34.829 -0.178 18237 93 1 . 1 1 21 21 VAL H H 21 9.868 9.868 8.402 1.466 18237 94 1 . 1 1 22 22 LEU N N 22 127.193 127.193 129.108 -1.915 18237 95 1 . 1 1 22 22 LEU HA H 22 4.422 4.422 4.367 0.055 18237 96 1 . 1 1 22 22 LEU C C 22 179.268 179.268 178.839 0.429 18237 97 1 . 1 1 22 22 LEU CA C 22 55.634 55.634 55.651 -0.017 18237 98 1 . 1 1 22 22 LEU CB C 22 41.279 41.279 41.376 -0.097 18237 99 1 . 1 1 22 22 LEU H H 22 8.812 8.812 9.037 -0.225 18237 100 1 . 1 1 23 23 LEU N N 23 126.386 126.386 126.554 -0.168 18237 101 1 . 1 1 23 23 LEU C C 23 178.844 178.844 178.597 0.247 18237 102 1 . 1 1 23 23 LEU CA C 23 57.403 57.403 58.239 -0.836 18237 103 1 . 1 1 23 23 LEU CB C 23 41.061 41.061 41.718 -0.657 18237 104 1 . 1 1 23 23 LEU H H 23 8.562 8.562 8.234 0.328 18237 105 1 . 1 1 24 24 SER N N 24 113.100 113.100 114.581 -1.481 18237 106 1 . 1 1 24 24 SER HA H 24 4.621 4.621 4.100 0.521 18237 107 1 . 1 1 24 24 SER C C 24 176.676 176.676 176.283 0.393 18237 108 1 . 1 1 24 24 SER CA C 24 60.960 60.960 61.724 -0.764 18237 109 1 . 1 1 24 24 SER CB C 24 61.650 61.650 62.497 -0.846 18237 110 1 . 1 1 24 24 SER H H 24 9.098 9.098 8.592 0.506 18237 111 1 . 1 1 25 25 THR N N 25 116.715 116.715 116.411 0.304 18237 112 1 . 1 1 25 25 THR HA H 25 3.915 3.915 4.104 -0.189 18237 113 1 . 1 1 25 25 THR CA C 25 64.599 64.599 65.428 -0.829 18237 114 1 . 1 1 25 25 THR CB C 25 68.657 68.657 68.749 -0.092 18237 115 1 . 1 1 25 25 THR H H 25 7.238 7.238 8.095 -0.857 18237 116 1 . 1 1 26 26 PHE N N 26 118.488 118.488 119.523 -1.035 18237 117 1 . 1 1 26 26 PHE HA H 26 4.110 4.110 4.458 -0.348 18237 118 1 . 1 1 26 26 PHE C C 26 176.181 176.181 176.605 -0.424 18237 119 1 . 1 1 26 26 PHE CA C 26 58.627 58.627 60.124 -1.497 18237 120 1 . 1 1 26 26 PHE CB C 26 39.793 39.793 39.664 0.129 18237 121 1 . 1 1 26 26 PHE H H 26 7.945 7.945 8.309 -0.364 18237 122 1 . 1 1 27 27 LEU N N 27 118.525 118.525 119.787 -1.262 18237 123 1 . 1 1 27 27 LEU HA H 27 4.523 4.523 4.288 0.235 18237 124 1 . 1 1 27 27 LEU C C 27 177.752 177.752 177.770 -0.018 18237 125 1 . 1 1 27 27 LEU CA C 27 54.679 54.679 55.926 -1.247 18237 126 1 . 1 1 27 27 LEU CB C 27 41.333 41.333 42.603 -1.270 18237 127 1 . 1 1 27 27 LEU H H 27 7.290 7.290 7.707 -0.417 18237 128 1 . 1 1 28 28 GLY N N 28 108.823 108.823 106.110 2.713 18237 129 1 . 1 1 28 28 GLY C C 28 174.630 174.630 174.087 0.543 18237 130 1 . 1 1 28 28 GLY CA C 28 45.374 45.374 45.153 0.221 18237 131 1 . 1 1 28 28 GLY H H 28 8.242 8.242 7.829 0.413 18237 132 1 . 1 1 29 29 SER N N 29 116.210 116.210 116.200 0.010 18237 133 1 . 1 1 29 29 SER HA H 29 4.626 4.626 4.554 0.072 18237 134 1 . 1 1 29 29 SER C C 29 175.312 175.312 174.690 0.622 18237 135 1 . 1 1 29 29 SER CA C 29 57.992 57.992 58.220 -0.227 18237 136 1 . 1 1 29 29 SER CB C 29 63.605 63.605 64.363 -0.758 18237 137 1 . 1 1 29 29 SER H H 29 8.310 8.310 7.869 0.441 18237 138 1 . 1 1 30 30 SER N N 30 118.892 118.892 114.630 4.262 18237 139 1 . 1 1 30 30 SER HA H 30 4.597 4.597 4.287 0.310 18237 140 1 . 1 1 30 30 SER C C 30 175.479 175.479 174.679 0.800 18237 141 1 . 1 1 30 30 SER CA C 30 58.582 58.582 59.609 -1.027 18237 142 1 . 1 1 30 30 SER CB C 30 63.605 63.605 62.205 1.400 18237 143 1 . 1 1 30 30 SER H H 30 8.593 8.593 8.713 -0.120 18237 144 1 . 1 1 31 31 GLY N N 31 111.354 111.354 108.774 2.580 18237 145 1 . 1 1 31 31 GLY C C 31 174.428 174.428 174.542 -0.114 18237 146 1 . 1 1 31 31 GLY CA C 31 45.456 45.456 45.491 -0.035 18237 147 1 . 1 1 31 31 GLY H H 31 8.584 8.584 8.069 0.515 18237 148 1 . 1 1 32 32 ASN N N 32 119.486 119.486 117.822 1.664 18237 149 1 . 1 1 32 32 ASN HA H 32 4.817 4.817 4.699 0.118 18237 150 1 . 1 1 32 32 ASN C C 32 175.928 175.928 175.924 0.004 18237 151 1 . 1 1 32 32 ASN CA C 32 53.215 53.215 53.106 0.109 18237 152 1 . 1 1 32 32 ASN CB C 32 38.780 38.780 38.662 0.118 18237 153 1 . 1 1 32 32 ASN H H 32 8.393 8.393 8.332 0.061 18237 154 1 . 1 1 33 33 GLU N N 33 122.031 122.031 120.610 1.421 18237 155 1 . 1 1 33 33 GLU HA H 33 4.271 4.271 4.004 0.267 18237 156 1 . 1 1 33 33 GLU CA C 33 57.426 57.426 59.006 -1.580 18237 157 1 . 1 1 33 33 GLU CB C 33 29.328 29.328 29.350 -0.022 18237 158 1 . 1 1 33 33 GLU H H 33 8.711 8.711 8.603 0.108 18237 159 1 . 1 1 34 34 GLN N N 34 120.866 120.866 117.954 2.912 18237 160 1 . 1 1 34 34 GLN HA H 34 4.271 4.271 4.033 0.238 18237 161 1 . 1 1 34 34 GLN CA C 34 56.226 56.226 58.938 -2.712 18237 162 1 . 1 1 34 34 GLN CB C 34 28.839 28.839 28.387 0.452 18237 163 1 . 1 1 34 34 GLN H H 34 8.438 8.438 8.052 0.386 18237 164 1 . 1 1 35 35 GLU N N 35 122.323 122.323 119.842 2.481 18237 165 1 . 1 1 35 35 GLU HA H 35 4.319 4.319 4.207 0.112 18237 166 1 . 1 1 35 35 GLU C C 35 177.176 177.176 178.921 -1.745 18237 167 1 . 1 1 35 35 GLU CA C 35 56.996 56.996 58.689 -1.693 18237 168 1 . 1 1 35 35 GLU CB C 35 29.545 29.545 29.320 0.225 18237 169 1 . 1 1 35 35 GLU H H 35 8.424 8.424 7.782 0.642 18237 170 1 . 1 1 36 36 LEU N N 36 122.904 122.904 118.225 4.679 18237 171 1 . 1 1 36 36 LEU HA H 36 4.319 4.319 4.130 0.189 18237 172 1 . 1 1 36 36 LEU CA C 36 55.898 55.898 56.955 -1.057 18237 173 1 . 1 1 36 36 LEU CB C 36 41.496 41.496 41.974 -0.478 18237 174 1 . 1 1 36 36 LEU H H 36 8.342 8.342 7.401 0.941 18237 175 1 . 1 1 38 38 GLU N N 38 121.931 121.931 120.981 0.950 18237 176 1 . 1 1 38 38 GLU HA H 38 4.396 4.396 4.048 0.348 18237 177 1 . 1 1 38 38 GLU C C 38 177.318 177.318 178.316 -0.998 18237 178 1 . 1 1 38 38 GLU CA C 38 56.366 56.366 59.526 -3.160 18237 179 1 . 1 1 38 38 GLU CB C 38 29.328 29.328 29.729 -0.401 18237 180 1 . 1 1 38 38 GLU H H 38 8.342 8.342 7.879 0.463 18237 181 1 . 1 1 39 39 LEU N N 39 123.317 123.317 119.677 3.640 18237 182 1 . 1 1 39 39 LEU HA H 39 4.348 4.348 3.116 1.232 18237 183 1 . 1 1 39 39 LEU CA C 39 56.833 56.833 58.284 -1.451 18237 184 1 . 1 1 39 39 LEU CB C 39 41.387 41.387 41.696 -0.309 18237 185 1 . 1 1 39 39 LEU H H 39 8.342 8.342 7.547 0.795 18237 186 1 . 1 1 40 40 ASP N N 40 119.726 119.726 116.531 3.195 18237 187 1 . 1 1 40 40 ASP HA H 40 4.571 4.571 4.307 0.264 18237 188 1 . 1 1 40 40 ASP CA C 40 55.589 55.589 57.377 -1.788 18237 189 1 . 1 1 40 40 ASP H H 40 8.530 8.530 8.425 0.105 18237 190 1 . 1 1 41 41 LYS N N 41 121.200 121.200 119.790 1.410 18237 191 1 . 1 1 41 41 LYS HA H 41 4.164 4.164 4.232 -0.068 18237 192 1 . 1 1 41 41 LYS CA C 41 58.220 58.220 58.478 -0.258 18237 193 1 . 1 1 41 41 LYS H H 41 8.145 8.145 7.764 0.381 18237 194 1 . 1 1 42 42 TRP N N 42 120.615 120.615 120.410 0.205 18237 195 1 . 1 1 42 42 TRP HA H 42 4.597 4.597 4.395 0.202 18237 196 1 . 1 1 42 42 TRP C C 42 177.641 177.641 178.363 -0.722 18237 197 1 . 1 1 42 42 TRP CA C 42 58.561 58.561 59.200 -0.639 18237 198 1 . 1 1 42 42 TRP CB C 42 28.839 28.839 28.472 0.367 18237 199 1 . 1 1 42 42 TRP H H 42 8.025 8.025 8.188 -0.163 18237 200 1 . 1 1 43 43 ALA N N 43 122.056 122.056 120.872 1.184 18237 201 1 . 1 1 43 43 ALA HA H 43 4.140 4.140 4.083 0.057 18237 202 1 . 1 1 43 43 ALA C C 43 172.776 172.776 179.735 -6.959 18237 203 1 . 1 1 43 43 ALA CA C 43 54.864 54.864 55.207 -0.344 18237 204 1 . 1 1 43 43 ALA CB C 43 17.974 17.974 17.856 0.118 18237 205 1 . 1 1 43 43 ALA H H 43 8.199 8.199 8.188 0.011 18237 206 1 . 1 1 44 44 SER N N 44 113.378 113.378 115.134 -1.756 18237 207 1 . 1 1 44 44 SER HA H 44 4.376 4.376 4.261 0.115 18237 208 1 . 1 1 44 44 SER C C 44 176.767 176.767 176.834 -0.067 18237 209 1 . 1 1 44 44 SER CA C 44 60.980 60.980 62.132 -1.152 18237 210 1 . 1 1 44 44 SER CB C 44 62.410 62.410 62.869 -0.459 18237 211 1 . 1 1 44 44 SER H H 44 8.210 8.210 8.030 0.180 18237 212 1 . 1 1 45 45 LEU N N 45 123.425 123.425 122.170 1.255 18237 213 1 . 1 1 45 45 LEU HA H 45 4.194 4.194 4.311 -0.117 18237 214 1 . 1 1 45 45 LEU CA C 45 57.606 57.606 57.941 -0.335 18237 215 1 . 1 1 45 45 LEU CB C 45 41.170 41.170 41.786 -0.616 18237 216 1 . 1 1 45 45 LEU H H 45 7.906 7.906 7.621 0.285 18237 217 1 . 1 1 46 46 TRP N N 46 118.572 118.572 119.708 -1.136 18237 218 1 . 1 1 46 46 TRP HA H 46 4.655 4.655 4.341 0.314 18237 219 1 . 1 1 46 46 TRP C C 46 177.838 177.838 178.435 -0.597 18237 220 1 . 1 1 46 46 TRP CA C 46 58.907 58.907 60.739 -1.832 18237 221 1 . 1 1 46 46 TRP CB C 46 29.219 29.219 29.394 -0.175 18237 222 1 . 1 1 46 46 TRP H H 46 8.043 8.043 8.284 -0.241 18237 223 1 . 1 1 47 47 ASN N N 47 116.564 116.564 117.590 -1.026 18237 224 1 . 1 1 47 47 ASN HA H 47 4.626 4.626 4.577 0.049 18237 225 1 . 1 1 47 47 ASN C C 47 176.904 176.904 177.407 -0.503 18237 226 1 . 1 1 47 47 ASN CA C 47 55.045 55.045 55.617 -0.572 18237 227 1 . 1 1 47 47 ASN CB C 47 38.563 38.563 38.736 -0.173 18237 228 1 . 1 1 47 47 ASN H H 47 8.174 8.174 8.750 -0.576 18237 229 1 . 1 1 48 48 TRP N N 48 121.421 121.421 121.012 0.409 18237 230 1 . 1 1 48 48 TRP HA H 48 4.367 4.367 4.642 -0.275 18237 231 1 . 1 1 48 48 TRP CA C 48 59.517 59.517 58.211 1.306 18237 232 1 . 1 1 48 48 TRP CB C 48 28.893 28.893 29.303 -0.410 18237 233 1 . 1 1 48 48 TRP H H 48 8.145 8.145 8.077 0.068 18237 234 1 . 1 1 49 49 PHE N N 49 118.299 118.299 121.101 -2.802 18237 235 1 . 1 1 49 49 PHE HA H 49 4.252 4.252 3.644 0.608 18237 236 1 . 1 1 49 49 PHE C C 49 175.565 175.565 175.211 0.354 18237 237 1 . 1 1 49 49 PHE CA C 49 58.887 58.887 58.160 0.727 18237 238 1 . 1 1 49 49 PHE CB C 49 38.671 38.671 38.372 0.299 18237 239 1 . 1 1 49 49 PHE H H 49 8.036 8.036 7.814 0.222 18237 240 1 . 1 1 50 50 ASN N N 50 118.836 118.836 119.265 -0.429 18237 241 1 . 1 1 50 50 ASN HA H 50 4.626 4.626 4.014 0.612 18237 242 1 . 1 1 50 50 ASN C C 50 176.439 176.439 176.587 -0.148 18237 243 1 . 1 1 50 50 ASN CA C 50 53.215 53.215 54.946 -1.731 18237 244 1 . 1 1 50 50 ASN CB C 50 38.128 38.128 37.797 0.331 18237 245 1 . 1 1 50 50 ASN H H 50 7.795 7.795 7.555 0.240 18237 246 1 . 1 1 51 51 ILE N N 51 120.218 120.218 116.148 4.070 18237 247 1 . 1 1 51 51 ILE HA H 51 3.791 3.791 3.837 -0.046 18237 248 1 . 1 1 51 51 ILE C C 51 177.202 177.202 177.126 0.076 18237 249 1 . 1 1 51 51 ILE CA C 51 63.102 63.102 64.873 -1.771 18237 250 1 . 1 1 51 51 ILE CB C 51 37.367 37.367 37.070 0.297 18237 251 1 . 1 1 51 51 ILE H H 51 8.147 8.147 7.038 1.109 18237 252 1 . 1 1 52 52 THR N N 52 115.352 115.352 113.407 1.945 18237 253 1 . 1 1 52 52 THR HA H 52 4.031 4.031 3.982 0.049 18237 254 1 . 1 1 52 52 THR C C 52 176.095 176.095 176.305 -0.210 18237 255 1 . 1 1 52 52 THR CA C 52 65.148 65.148 65.385 -0.237 18237 256 1 . 1 1 52 52 THR CB C 52 68.277 68.277 67.974 0.303 18237 257 1 . 1 1 52 52 THR H H 52 8.009 8.009 7.264 0.745 18237 258 1 . 1 1 53 53 ASN N N 53 119.874 119.874 121.176 -1.302 18237 259 1 . 1 1 53 53 ASN HA H 53 4.636 4.636 4.228 0.408 18237 260 1 . 1 1 53 53 ASN C C 53 176.530 176.530 177.092 -0.562 18237 261 1 . 1 1 53 53 ASN CA C 53 54.457 54.457 55.679 -1.222 18237 262 1 . 1 1 53 53 ASN CB C 53 37.802 37.802 37.627 0.175 18237 263 1 . 1 1 53 53 ASN H H 53 7.972 7.972 7.024 0.948 18237 264 1 . 1 1 54 54 TRP N N 54 120.192 120.192 119.772 0.420 18237 265 1 . 1 1 54 54 TRP HA H 54 4.655 4.655 4.547 0.108 18237 266 1 . 1 1 54 54 TRP CA C 54 58.643 58.643 58.797 -0.154 18237 267 1 . 1 1 54 54 TRP CB C 54 29.165 29.165 29.206 -0.041 18237 268 1 . 1 1 54 54 TRP H H 54 7.897 7.897 7.254 0.643 18237 269 1 . 1 1 55 55 LEU N N 55 118.354 118.354 121.843 -3.489 18237 270 1 . 1 1 55 55 LEU HA H 55 4.088 4.088 3.894 0.194 18237 271 1 . 1 1 55 55 LEU C C 55 177.975 177.975 178.733 -0.758 18237 272 1 . 1 1 55 55 LEU CA C 55 56.470 56.470 58.433 -1.963 18237 273 1 . 1 1 55 55 LEU CB C 55 40.898 40.898 41.784 -0.886 18237 274 1 . 1 1 55 55 LEU H H 55 7.931 7.931 7.865 0.066 18237 275 1 . 1 1 56 56 TRP N N 56 118.335 118.335 117.166 1.169 18237 276 1 . 1 1 56 56 TRP HA H 56 4.367 4.367 4.335 0.032 18237 277 1 . 1 1 56 56 TRP C C 56 176.863 176.863 178.267 -1.404 18237 278 1 . 1 1 56 56 TRP CA C 56 59.070 59.070 60.481 -1.411 18237 279 1 . 1 1 56 56 TRP CB C 56 28.839 28.839 28.767 0.072 18237 280 1 . 1 1 56 56 TRP H H 56 7.665 7.665 7.782 -0.117 18237 281 1 . 1 1 57 57 TYR N N 57 116.808 116.808 119.299 -2.491 18237 282 1 . 1 1 57 57 TYR HA H 57 4.172 4.172 4.323 -0.151 18237 283 1 . 1 1 57 57 TYR C C 57 176.085 176.085 176.995 -0.910 18237 284 1 . 1 1 57 57 TYR CA C 57 59.865 59.865 61.044 -1.179 18237 285 1 . 1 1 57 57 TYR CB C 57 38.563 38.563 39.099 -0.536 18237 286 1 . 1 1 57 57 TYR H H 57 7.578 7.578 7.620 -0.042 18237 287 1 . 1 1 58 58 ILE N N 58 115.526 115.526 115.179 0.347 18237 288 1 . 1 1 58 58 ILE HA H 58 4.265 4.265 4.240 0.025 18237 289 1 . 1 1 58 58 ILE C C 58 174.782 174.782 175.838 -1.056 18237 290 1 . 1 1 58 58 ILE CA C 58 60.940 60.940 61.437 -0.497 18237 291 1 . 1 1 58 58 ILE CB C 58 38.182 38.182 38.512 -0.330 18237 292 1 . 1 1 58 58 ILE H H 58 7.586 7.586 8.209 -0.623 18237 stop_ save_