data_18732 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18732 _Entry.PDB_ID 2LYX 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 18732 _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 GLU N N 2 120.598 120.598 122.875 -2.277 18732 2 1 1 . 1 1 2 2 GLU CA C 2 53.965 53.965 56.361 -2.396 18732 3 1 1 . 1 1 2 2 GLU CB C 2 27.978 27.978 29.106 -1.128 18732 4 1 1 . 1 1 3 3 GLU N N 3 120.984 120.984 120.988 -0.004 18732 5 1 1 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.275 -0.077 18732 6 1 1 . 1 1 3 3 GLU CA C 3 60.035 60.035 56.984 3.051 18732 7 1 1 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.759 -0.491 18732 8 1 1 . 1 1 4 4 THR N N 4 117.936 117.936 109.020 8.916 18732 9 1 1 . 1 1 4 4 THR HA H 4 4.665 4.665 4.211 0.454 18732 10 1 1 . 1 1 4 4 THR CA C 4 57.307 57.307 59.535 -2.228 18732 11 1 1 . 1 1 4 4 THR CB C 4 67.215 67.215 69.982 -2.767 18732 12 1 1 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.333 -2.593 18732 13 1 1 . 1 1 5 5 PRO CB C 5 29.700 29.700 30.318 -0.618 18732 14 1 1 . 1 1 6 6 LEU N N 6 122.097 122.097 122.196 -0.099 18732 15 1 1 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.634 -0.253 18732 16 1 1 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.754 -1.739 18732 17 1 1 . 1 1 6 6 LEU CB C 6 40.054 40.054 41.637 -1.583 18732 18 1 1 . 1 1 8 8 THR N N 8 116.987 116.987 111.518 5.469 18732 19 1 1 . 1 1 8 8 THR HA H 8 4.348 4.348 4.424 -0.076 18732 20 1 1 . 1 1 8 8 THR CA C 8 59.340 59.340 61.818 -2.478 18732 21 1 1 . 1 1 8 8 THR CB C 8 67.234 67.234 68.894 -1.660 18732 22 1 1 . 1 1 9 9 ALA N N 9 125.944 125.944 123.786 2.158 18732 23 1 1 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.638 -0.264 18732 24 1 1 . 1 1 9 9 ALA CA C 9 50.009 50.009 51.987 -1.978 18732 25 1 1 . 1 1 9 9 ALA CB C 9 16.807 16.807 20.278 -3.471 18732 26 1 1 . 1 1 10 10 ARG N N 10 119.637 119.637 119.895 -0.258 18732 27 1 1 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.117 0.206 18732 28 1 1 . 1 1 10 10 ARG CA C 10 53.532 53.532 56.673 -3.141 18732 29 1 1 . 1 1 10 10 ARG CB C 10 28.492 28.492 29.345 -0.852 18732 30 1 1 . 1 1 11 11 HIS N N 11 119.667 119.667 126.010 -6.343 18732 31 1 1 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.589 0.128 18732 32 1 1 . 1 1 11 11 HIS CA C 11 52.790 52.790 55.583 -2.793 18732 33 1 1 . 1 1 11 11 HIS CB C 11 27.033 27.033 30.491 -3.458 18732 34 1 1 . 1 1 12 12 MET N N 12 122.280 122.280 122.877 -0.597 18732 35 1 1 . 1 1 12 12 MET HA H 12 4.543 4.543 4.858 -0.315 18732 36 1 1 . 1 1 12 12 MET CA C 12 53.058 53.058 55.071 -2.013 18732 37 1 1 . 1 1 12 12 MET CB C 12 29.647 29.647 33.751 -4.104 18732 38 1 1 . 1 1 13 13 SER N N 13 118.363 118.363 115.380 2.983 18732 39 1 1 . 1 1 13 13 SER HA H 13 4.515 4.515 4.431 0.084 18732 40 1 1 . 1 1 13 13 SER CA C 13 55.083 55.083 57.591 -2.508 18732 41 1 1 . 1 1 13 13 SER CB C 13 62.243 62.243 64.774 -2.531 18732 42 1 1 . 1 1 14 14 LYS N N 14 123.039 123.039 124.205 -1.166 18732 43 1 1 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.852 0.074 18732 44 1 1 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.776 -2.896 18732 45 1 1 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.861 -2.366 18732 46 1 1 . 1 1 15 15 TRP N N 15 118.585 118.585 116.207 2.378 18732 47 1 1 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.836 -0.457 18732 48 1 1 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.354 -0.785 18732 49 1 1 . 1 1 15 15 TRP CB C 15 27.426 27.426 30.105 -2.679 18732 50 1 1 . 1 1 16 16 GLU N N 16 119.418 119.418 118.026 1.392 18732 51 1 1 . 1 1 16 16 GLU HA H 16 2.976 2.976 2.942 0.034 18732 52 1 1 . 1 1 16 16 GLU CA C 16 56.540 56.540 58.350 -1.810 18732 53 1 1 . 1 1 16 16 GLU CB C 16 27.787 27.787 29.232 -1.445 18732 54 1 1 . 1 1 17 17 GLU N N 17 117.377 117.377 115.218 2.159 18732 55 1 1 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.267 -0.357 18732 56 1 1 . 1 1 17 17 GLU CA C 17 56.898 56.898 57.810 -0.912 18732 57 1 1 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.890 -3.037 18732 58 1 1 . 1 1 18 18 ILE N N 18 119.807 119.807 122.650 -2.843 18732 59 1 1 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.706 -0.038 18732 60 1 1 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.805 -3.061 18732 61 1 1 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.723 -2.060 18732 62 1 1 . 1 1 19 19 ALA N N 19 121.744 121.744 121.853 -0.109 18732 63 1 1 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.026 -0.071 18732 64 1 1 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.716 -2.273 18732 65 1 1 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.174 -2.900 18732 66 1 1 . 1 1 20 20 VAL N N 20 115.918 115.918 118.306 -2.388 18732 67 1 1 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.447 -0.048 18732 68 1 1 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.247 -1.918 18732 69 1 1 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.504 -2.100 18732 70 1 1 . 1 1 21 21 LYS N N 21 119.785 119.785 119.789 -0.004 18732 71 1 1 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.928 -0.007 18732 72 1 1 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.089 -2.647 18732 73 1 1 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.165 1.347 18732 74 1 1 . 1 1 22 22 GLU N N 22 118.955 118.955 118.922 0.033 18732 75 1 1 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.135 -0.066 18732 76 1 1 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.313 -3.052 18732 77 1 1 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.588 -3.493 18732 78 1 1 . 1 1 23 23 ALA N N 23 122.253 122.253 120.381 1.872 18732 79 1 1 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.345 -0.244 18732 80 1 1 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.411 -1.185 18732 81 1 1 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.649 -3.140 18732 82 1 1 . 1 1 24 24 LYS N N 24 116.889 116.889 115.671 1.218 18732 83 1 1 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.298 -0.279 18732 84 1 1 . 1 1 24 24 LYS CA C 24 55.745 55.745 58.532 -2.787 18732 85 1 1 . 1 1 24 24 LYS CB C 24 29.185 29.185 32.937 -3.752 18732 86 1 1 . 1 1 25 25 LYS N N 25 117.772 117.772 120.940 -3.168 18732 87 1 1 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.303 -0.280 18732 88 1 1 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.481 -2.141 18732 89 1 1 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.241 -2.039 18732 90 1 1 . 1 1 26 26 ARG N N 26 117.176 117.176 119.598 -2.422 18732 91 1 1 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.118 -0.061 18732 92 1 1 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.080 -3.088 18732 93 1 1 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.577 -2.543 18732 94 1 1 . 1 1 27 27 TYR N N 27 117.344 117.344 118.168 -0.824 18732 95 1 1 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.946 0.136 18732 96 1 1 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.527 -2.969 18732 97 1 1 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.807 -2.821 18732 98 1 1 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.497 0.252 18732 99 1 1 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.803 -2.410 18732 100 1 1 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.241 -2.386 18732 101 1 1 . 1 1 29 29 LEU N N 29 117.758 117.758 118.255 -0.497 18732 102 1 1 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.497 0.092 18732 103 1 1 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.439 -2.865 18732 104 1 1 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.988 -3.098 18732 105 1 1 . 1 1 30 30 ALA N N 30 122.493 122.493 119.739 2.754 18732 106 1 1 . 1 1 30 30 ALA HA H 30 4.851 4.851 5.170 -0.319 18732 107 1 1 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.654 -1.800 18732 108 1 1 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.188 -2.520 18732 109 1 1 . 1 1 31 31 GLN N N 31 118.936 118.936 117.144 1.792 18732 110 1 1 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.789 -0.150 18732 111 1 1 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.754 -3.483 18732 112 1 1 . 1 1 31 31 GLN CB C 31 28.843 28.843 33.192 -4.349 18732 113 1 1 . 1 1 32 32 VAL N N 32 123.815 123.815 122.189 1.626 18732 114 1 1 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.409 0.256 18732 115 1 1 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.093 -0.828 18732 116 1 1 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.612 -3.734 18732 117 1 1 . 1 1 33 33 LEU N N 33 128.709 128.709 125.322 3.387 18732 118 1 1 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.701 -0.459 18732 119 1 1 . 1 1 33 33 LEU CA C 33 53.383 53.383 53.894 -0.511 18732 120 1 1 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.295 -1.172 18732 121 1 1 . 1 1 34 34 PHE N N 34 114.779 114.779 118.208 -3.429 18732 122 1 1 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.783 -0.877 18732 123 1 1 . 1 1 34 34 PHE CA C 34 53.915 53.915 56.831 -2.916 18732 124 1 1 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.451 -2.798 18732 125 1 1 . 1 1 35 35 LYS N N 35 120.077 120.077 120.989 -0.912 18732 126 1 1 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.575 0.663 18732 127 1 1 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.998 -3.701 18732 128 1 1 . 1 1 35 35 LYS CB C 35 32.998 32.998 33.815 -0.817 18732 129 1 1 . 1 1 36 36 GLN N N 36 119.491 119.491 122.489 -2.998 18732 130 1 1 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.887 0.349 18732 131 1 1 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.583 -2.386 18732 132 1 1 . 1 1 36 36 GLN CB C 36 30.609 30.609 33.283 -2.674 18732 133 1 1 . 1 1 37 37 LYS N N 37 128.471 128.471 122.365 6.106 18732 134 1 1 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.523 0.272 18732 135 1 1 . 1 1 37 37 LYS CA C 37 54.661 54.661 56.222 -1.561 18732 136 1 1 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.488 -2.215 18732 137 1 1 . 1 1 38 38 VAL N N 38 125.112 125.112 115.351 9.761 18732 138 1 1 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.569 -0.232 18732 139 1 1 . 1 1 38 38 VAL CA C 38 60.252 60.252 60.339 -0.087 18732 140 1 1 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.242 -2.522 18732 141 1 1 . 1 1 39 39 TRP N N 39 123.085 123.085 123.370 -0.285 18732 142 1 1 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.446 0.403 18732 143 1 1 . 1 1 39 39 TRP CA C 39 54.206 54.206 58.499 -4.293 18732 144 1 1 . 1 1 39 39 TRP CB C 39 30.461 30.461 30.127 0.334 18732 145 1 1 . 1 1 40 40 ASP N N 40 123.000 123.000 120.488 2.512 18732 146 1 1 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.567 0.561 18732 147 1 1 . 1 1 40 40 ASP CA C 40 51.105 51.105 52.909 -1.804 18732 148 1 1 . 1 1 40 40 ASP CB C 40 41.077 41.077 43.811 -2.734 18732 149 1 1 . 1 1 41 41 ARG N N 41 123.259 123.259 116.363 6.896 18732 150 1 1 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.377 0.171 18732 151 1 1 . 1 1 41 41 ARG CA C 41 52.623 52.623 55.112 -2.489 18732 152 1 1 . 1 1 41 41 ARG CB C 41 31.417 31.417 32.186 -0.769 18732 153 1 1 . 1 1 42 42 LYS N N 42 124.798 124.798 118.682 6.116 18732 154 1 1 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.523 0.165 18732 155 1 1 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.694 -0.921 18732 156 1 1 . 1 1 42 42 LYS CB C 42 31.787 31.787 34.197 -2.410 18732 157 1 1 . 1 1 43 43 ARG N N 43 124.461 124.461 119.146 5.315 18732 158 1 1 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.662 -0.013 18732 159 1 1 . 1 1 43 43 ARG CA C 43 52.179 52.179 54.808 -2.629 18732 160 1 1 . 1 1 43 43 ARG CB C 43 30.149 30.149 31.231 -1.082 18732 161 1 1 . 1 1 44 44 LYS N N 44 121.297 121.297 121.001 0.296 18732 162 1 1 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.108 -0.085 18732 163 1 1 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.967 -2.331 18732 164 1 1 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.222 -2.110 18732 165 1 1 . 1 1 45 45 ASP N N 45 115.145 115.145 113.937 1.208 18732 166 1 1 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.871 -0.121 18732 167 1 1 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.590 -2.490 18732 168 1 1 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.617 -2.924 18732 169 1 1 . 1 1 46 46 GLU N N 46 118.274 118.274 118.319 -0.045 18732 170 1 1 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.661 -0.194 18732 171 1 1 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.454 -1.732 18732 172 1 1 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.483 -3.413 18732 173 1 1 . 1 1 47 47 ALA N N 47 127.506 127.506 120.893 6.613 18732 174 1 1 . 1 1 47 47 ALA HA H 47 4.694 4.694 5.013 -0.319 18732 175 1 1 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.597 -2.489 18732 176 1 1 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.021 -3.179 18732 177 1 1 . 1 1 48 48 VAL N N 48 118.088 118.088 113.973 4.115 18732 178 1 1 . 1 1 48 48 VAL HA H 48 5.345 5.345 5.185 0.160 18732 179 1 1 . 1 1 48 48 VAL CA C 48 57.625 57.625 60.383 -2.758 18732 180 1 1 . 1 1 48 48 VAL CB C 48 33.496 33.496 34.744 -1.248 18732 181 1 1 . 1 1 49 49 LYS N N 49 124.725 124.725 125.736 -1.011 18732 182 1 1 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.808 0.549 18732 183 1 1 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.229 -3.190 18732 184 1 1 . 1 1 50 50 GLN N N 50 121.028 121.028 122.505 -1.477 18732 185 1 1 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.639 0.347 18732 186 1 1 . 1 1 50 50 GLN CA C 50 52.113 52.113 55.621 -3.508 18732 187 1 1 . 1 1 50 50 GLN CB C 50 23.684 23.684 30.436 -6.752 18732 188 1 1 . 1 1 51 51 TYR N N 51 124.549 124.549 114.201 10.348 18732 189 1 1 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.874 0.344 18732 190 1 1 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.353 -2.803 18732 191 1 1 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.885 -2.605 18732 192 1 1 . 1 1 52 52 HIS N N 52 121.301 121.301 120.353 0.948 18732 193 1 1 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.259 -0.040 18732 194 1 1 . 1 1 52 52 HIS CA C 52 51.708 51.708 54.009 -2.301 18732 195 1 1 . 1 1 52 52 HIS CB C 52 28.907 28.907 32.279 -3.372 18732 196 1 1 . 1 1 53 53 LEU N N 53 127.743 127.743 125.407 2.336 18732 197 1 1 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.776 0.432 18732 198 1 1 . 1 1 53 53 LEU CA C 53 50.887 50.887 52.633 -1.746 18732 199 1 1 . 1 1 53 53 LEU CB C 53 42.084 42.084 44.276 -2.192 18732 200 1 1 . 1 1 54 54 THR N N 54 117.996 117.996 116.266 1.730 18732 201 1 1 . 1 1 54 54 THR HA H 54 4.600 4.600 4.327 0.273 18732 202 1 1 . 1 1 54 54 THR CA C 54 59.774 59.774 61.729 -1.955 18732 203 1 1 . 1 1 54 54 THR CB C 54 67.153 67.153 69.813 -2.660 18732 204 1 1 . 1 1 55 55 LEU N N 55 129.329 129.329 126.907 2.422 18732 205 1 1 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.861 0.213 18732 206 1 1 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.661 -2.892 18732 207 1 1 . 1 1 55 55 LEU CB C 55 42.090 42.090 42.035 0.055 18732 208 1 1 . 1 1 56 56 ARG N N 56 117.231 117.231 120.656 -3.425 18732 209 1 1 . 1 1 56 56 ARG HA H 56 5.357 5.357 5.096 0.261 18732 210 1 1 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.960 -3.085 18732 211 1 1 . 1 1 56 56 ARG CB C 56 31.945 31.945 33.744 -1.799 18732 212 1 1 . 1 1 57 57 GLU N N 57 128.411 128.411 127.678 0.733 18732 213 1 1 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.845 -0.154 18732 214 1 1 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.547 -2.683 18732 215 1 1 . 1 1 57 57 GLU CB C 57 29.942 29.942 32.592 -2.650 18732 216 1 1 . 1 1 58 58 GLY N N 58 118.265 118.265 116.989 1.276 18732 217 1 1 . 1 1 58 58 GLY CA C 58 44.943 44.943 46.891 -1.948 18732 218 1 1 . 1 1 59 59 SER N N 59 122.061 122.061 116.090 5.971 18732 219 1 1 . 1 1 59 59 SER HA H 59 4.567 4.567 4.470 0.097 18732 220 1 1 . 1 1 59 59 SER CA C 59 55.730 55.730 57.651 -1.921 18732 221 1 1 . 1 1 59 59 SER CB C 59 61.262 61.262 65.309 -4.047 18732 222 1 1 . 1 1 60 60 LYS N N 60 124.154 124.154 124.255 -0.101 18732 223 1 1 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.349 0.271 18732 224 1 1 . 1 1 60 60 LYS CA C 60 53.444 53.444 56.595 -3.151 18732 225 1 1 . 1 1 60 60 LYS CB C 60 32.144 32.144 33.906 -1.762 18732 226 1 1 . 1 1 61 61 GLU N N 61 125.701 125.701 122.655 3.046 18732 227 1 1 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.393 0.121 18732 228 1 1 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.244 -3.138 18732 229 1 1 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.688 -3.148 18732 230 1 1 . 1 1 62 62 PHE N N 62 121.360 121.360 119.139 2.221 18732 231 1 1 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.857 0.189 18732 232 1 1 . 1 1 62 62 PHE CA C 62 53.363 53.363 56.018 -2.655 18732 233 1 1 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.493 -3.694 18732 234 1 1 . 1 1 63 63 GLY N N 63 107.546 107.546 107.611 -0.065 18732 235 1 1 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.414 -1.782 18732 236 1 1 . 1 1 64 64 VAL N N 64 115.031 115.031 116.008 -0.977 18732 237 1 1 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.843 0.177 18732 238 1 1 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.141 -2.111 18732 239 1 1 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.072 -0.920 18732 240 1 1 . 1 1 65 65 PHE N N 65 122.208 122.208 121.710 0.498 18732 241 1 1 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.440 0.192 18732 242 1 1 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.474 -2.474 18732 243 1 1 . 1 1 65 65 PHE CB C 65 39.295 39.295 42.553 -3.258 18732 244 1 1 . 1 1 66 66 VAL N N 66 123.832 123.832 125.176 -1.344 18732 245 1 1 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.603 0.554 18732 246 1 1 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.532 -2.898 18732 247 1 1 . 1 1 66 66 VAL CB C 66 32.312 32.312 32.416 -0.104 18732 248 1 1 . 1 1 67 67 THR N N 67 125.293 125.293 124.945 0.348 18732 249 1 1 . 1 1 67 67 THR CA C 67 57.150 57.150 64.339 -7.189 18732 250 1 1 . 1 1 67 67 THR CB C 67 67.050 67.050 69.126 -2.076 18732 251 1 1 . 1 1 68 68 ILE N N 68 128.624 128.624 129.229 -0.605 18732 252 1 1 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.451 0.412 18732 253 1 1 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.375 -2.142 18732 254 1 1 . 1 1 68 68 ILE CB C 68 39.314 39.314 40.438 -1.124 18732 255 1 1 . 1 1 69 69 SER N N 69 122.023 122.023 123.081 -1.058 18732 256 1 1 . 1 1 69 69 SER HA H 69 5.804 5.804 5.281 0.523 18732 257 1 1 . 1 1 69 69 SER CA C 69 53.530 53.530 58.355 -4.825 18732 258 1 1 . 1 1 69 69 SER CB C 69 61.921 61.921 64.065 -2.144 18732 259 1 1 . 1 1 70 70 PHE N N 70 123.800 123.800 123.047 0.753 18732 260 1 1 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.404 -0.027 18732 261 1 1 . 1 1 70 70 PHE CA C 70 53.143 53.143 54.821 -1.678 18732 262 1 1 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.341 -0.973 18732 263 1 1 . 1 1 71 71 ASP N N 71 121.547 121.547 119.278 2.269 18732 264 1 1 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.123 -0.024 18732 265 1 1 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.562 -2.340 18732 266 1 1 . 1 1 71 71 ASP CB C 71 40.845 40.845 43.881 -3.036 18732 267 1 1 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.438 -0.073 18732 268 1 1 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.357 -2.758 18732 269 1 1 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.020 -2.353 18732 270 1 1 . 1 1 73 73 TYR N N 73 118.085 118.085 120.490 -2.405 18732 271 1 1 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.327 0.299 18732 272 1 1 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.369 -3.039 18732 273 1 1 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.160 -2.580 18732 274 1 1 . 1 1 74 74 SER N N 74 113.942 113.942 110.816 3.126 18732 275 1 1 . 1 1 74 74 SER HA H 74 4.506 4.506 4.668 -0.162 18732 276 1 1 . 1 1 74 74 SER CA C 74 56.253 56.253 58.330 -2.077 18732 277 1 1 . 1 1 74 74 SER CB C 74 62.670 62.670 63.681 -1.011 18732 278 1 1 . 1 1 75 75 GLN N N 75 115.717 115.717 118.318 -2.601 18732 279 1 1 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.602 -0.358 18732 280 1 1 . 1 1 75 75 GLN CA C 75 55.572 55.572 56.958 -1.386 18732 281 1 1 . 1 1 75 75 GLN CB C 75 23.623 23.623 27.428 -3.805 18732 282 1 1 . 1 1 76 76 LYS N N 76 119.205 119.205 119.070 0.135 18732 283 1 1 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.356 0.088 18732 284 1 1 . 1 1 76 76 LYS CA C 76 54.013 54.013 55.792 -1.779 18732 285 1 1 . 1 1 76 76 LYS CB C 76 31.375 31.375 32.297 -0.922 18732 286 1 1 . 1 1 77 77 VAL N N 77 125.587 125.587 125.848 -0.261 18732 287 1 1 . 1 1 77 77 VAL HA H 77 4.004 4.004 3.979 0.025 18732 288 1 1 . 1 1 77 77 VAL CA C 77 61.558 61.558 62.959 -1.401 18732 289 1 1 . 1 1 77 77 VAL CB C 77 30.401 30.401 32.421 -2.020 18732 290 1 1 . 1 1 78 78 ASN N N 78 126.604 126.604 127.508 -0.904 18732 291 1 1 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.608 0.342 18732 292 1 1 . 1 1 78 78 ASN CA C 78 51.577 51.577 55.547 -3.970 18732 293 1 1 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.164 -1.803 18732 294 1 1 . 1 1 79 79 LYS N N 79 118.463 118.463 116.563 1.900 18732 295 1 1 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.626 -0.008 18732 296 1 1 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.315 -1.743 18732 297 1 1 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.331 -2.802 18732 298 1 1 . 1 1 80 80 ILE N N 80 123.294 123.294 118.827 4.467 18732 299 1 1 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.095 -0.024 18732 300 1 1 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.638 -1.942 18732 301 1 1 . 1 1 80 80 ILE CB C 80 38.260 38.260 41.033 -2.773 18732 302 1 1 . 1 1 81 81 ALA N N 81 130.466 130.466 126.321 4.145 18732 303 1 1 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.776 0.260 18732 304 1 1 . 1 1 81 81 ALA CA C 81 48.222 48.222 50.994 -2.772 18732 305 1 1 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.527 -2.453 18732 306 1 1 . 1 1 82 82 ILE N N 82 122.249 122.249 119.247 3.002 18732 307 1 1 . 1 1 82 82 ILE HA H 82 5.242 5.242 5.057 0.185 18732 308 1 1 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.878 -2.203 18732 309 1 1 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.816 -4.024 18732 310 1 1 . 1 1 83 83 LEU N N 83 129.605 129.605 125.679 3.926 18732 311 1 1 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.951 0.003 18732 312 1 1 . 1 1 83 83 LEU CA C 83 51.332 51.332 54.049 -2.717 18732 313 1 1 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.658 -3.183 18732 314 1 1 . 1 1 84 84 GLU N N 84 125.594 125.594 123.807 1.787 18732 315 1 1 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.732 -0.020 18732 316 1 1 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.048 -0.658 18732 317 1 1 . 1 1 84 84 GLU CB C 84 28.122 28.122 32.562 -4.441 18732 318 1 1 . 1 1 85 85 GLU N N 85 123.904 123.904 126.813 -2.909 18732 319 1 1 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.443 -0.014 18732 320 1 1 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.417 -2.521 18732 321 1 1 . 1 1 85 85 GLU CB C 85 28.642 28.642 30.913 -2.271 18732 322 1 1 . 1 1 86 86 TYR N N 86 123.323 123.323 118.787 4.536 18732 323 1 1 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.752 -0.031 18732 324 1 1 . 1 1 86 86 TYR CA C 86 53.909 53.909 57.395 -3.486 18732 325 1 1 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.672 -3.076 18732 326 1 2 . 1 1 2 2 GLU N N 2 120.598 120.598 121.566 -0.968 18732 327 1 2 . 1 1 2 2 GLU CA C 2 53.965 53.965 56.078 -2.113 18732 328 1 2 . 1 1 2 2 GLU CB C 2 27.978 27.978 30.216 -2.238 18732 329 1 2 . 1 1 3 3 GLU N N 3 120.984 120.984 123.841 -2.857 18732 330 1 2 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.060 0.138 18732 331 1 2 . 1 1 3 3 GLU CA C 3 60.035 60.035 58.427 1.608 18732 332 1 2 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.097 0.171 18732 333 1 2 . 1 1 4 4 THR N N 4 117.936 117.936 107.968 9.968 18732 334 1 2 . 1 1 4 4 THR HA H 4 4.665 4.665 4.570 0.095 18732 335 1 2 . 1 1 4 4 THR CA C 4 57.307 57.307 58.615 -1.308 18732 336 1 2 . 1 1 4 4 THR CB C 4 67.215 67.215 70.094 -2.878 18732 337 1 2 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.589 -2.849 18732 338 1 2 . 1 1 5 5 PRO CB C 5 29.700 29.700 32.063 -2.363 18732 339 1 2 . 1 1 6 6 LEU N N 6 122.097 122.097 121.449 0.648 18732 340 1 2 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.406 -0.025 18732 341 1 2 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.087 -1.073 18732 342 1 2 . 1 1 6 6 LEU CB C 6 40.054 40.054 40.099 -0.045 18732 343 1 2 . 1 1 8 8 THR N N 8 116.987 116.987 118.623 -1.636 18732 344 1 2 . 1 1 8 8 THR HA H 8 4.348 4.348 4.419 -0.071 18732 345 1 2 . 1 1 8 8 THR CA C 8 59.340 59.340 62.254 -2.914 18732 346 1 2 . 1 1 8 8 THR CB C 8 67.234 67.234 68.459 -1.225 18732 347 1 2 . 1 1 9 9 ALA N N 9 125.944 125.944 127.503 -1.559 18732 348 1 2 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.541 -0.167 18732 349 1 2 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.477 -2.468 18732 350 1 2 . 1 1 9 9 ALA CB C 9 16.807 16.807 20.700 -3.893 18732 351 1 2 . 1 1 10 10 ARG N N 10 119.637 119.637 121.806 -2.169 18732 352 1 2 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.636 -0.313 18732 353 1 2 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.491 -1.959 18732 354 1 2 . 1 1 10 10 ARG CB C 10 28.492 28.492 32.181 -3.689 18732 355 1 2 . 1 1 11 11 HIS N N 11 119.667 119.667 119.306 0.361 18732 356 1 2 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.365 0.352 18732 357 1 2 . 1 1 11 11 HIS CA C 11 52.790 52.790 56.242 -3.452 18732 358 1 2 . 1 1 11 11 HIS CB C 11 27.033 27.033 29.362 -2.329 18732 359 1 2 . 1 1 12 12 MET N N 12 122.280 122.280 119.419 2.861 18732 360 1 2 . 1 1 12 12 MET HA H 12 4.543 4.543 4.314 0.229 18732 361 1 2 . 1 1 12 12 MET CA C 12 53.058 53.058 55.951 -2.893 18732 362 1 2 . 1 1 12 12 MET CB C 12 29.647 29.647 32.737 -3.091 18732 363 1 2 . 1 1 13 13 SER N N 13 118.363 118.363 120.213 -1.850 18732 364 1 2 . 1 1 13 13 SER HA H 13 4.515 4.515 4.410 0.105 18732 365 1 2 . 1 1 13 13 SER CA C 13 55.083 55.083 58.659 -3.576 18732 366 1 2 . 1 1 13 13 SER CB C 13 62.243 62.243 64.427 -2.184 18732 367 1 2 . 1 1 14 14 LYS N N 14 123.039 123.039 124.034 -0.995 18732 368 1 2 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.906 0.020 18732 369 1 2 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.482 -2.602 18732 370 1 2 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.976 -2.481 18732 371 1 2 . 1 1 15 15 TRP N N 15 118.585 118.585 116.618 1.967 18732 372 1 2 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.902 -0.523 18732 373 1 2 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.519 -0.950 18732 374 1 2 . 1 1 15 15 TRP CB C 15 27.426 27.426 30.234 -2.808 18732 375 1 2 . 1 1 16 16 GLU N N 16 119.418 119.418 121.332 -1.914 18732 376 1 2 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.555 -0.579 18732 377 1 2 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.146 -3.606 18732 378 1 2 . 1 1 16 16 GLU CB C 16 27.787 27.787 29.327 -1.540 18732 379 1 2 . 1 1 17 17 GLU N N 17 117.377 117.377 117.813 -0.436 18732 380 1 2 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.092 -0.182 18732 381 1 2 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.151 -2.253 18732 382 1 2 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.565 -2.712 18732 383 1 2 . 1 1 18 18 ILE N N 18 119.807 119.807 120.363 -0.556 18732 384 1 2 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.780 -0.112 18732 385 1 2 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.359 -2.614 18732 386 1 2 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.825 -2.162 18732 387 1 2 . 1 1 19 19 ALA N N 19 121.744 121.744 120.838 0.906 18732 388 1 2 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.080 -0.125 18732 389 1 2 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.324 -1.881 18732 390 1 2 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.489 -3.215 18732 391 1 2 . 1 1 20 20 VAL N N 20 115.918 115.918 118.202 -2.284 18732 392 1 2 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.673 -0.274 18732 393 1 2 . 1 1 20 20 VAL CA C 20 64.329 64.329 65.889 -1.560 18732 394 1 2 . 1 1 20 20 VAL CB C 20 29.404 29.404 32.061 -2.657 18732 395 1 2 . 1 1 21 21 LYS N N 21 119.785 119.785 119.526 0.259 18732 396 1 2 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.997 -0.076 18732 397 1 2 . 1 1 21 21 LYS CA C 21 57.442 57.442 59.741 -2.299 18732 398 1 2 . 1 1 21 21 LYS CB C 21 33.512 33.512 31.850 1.662 18732 399 1 2 . 1 1 22 22 GLU N N 22 118.955 118.955 120.404 -1.449 18732 400 1 2 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.108 -0.039 18732 401 1 2 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.479 -3.218 18732 402 1 2 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.517 -3.421 18732 403 1 2 . 1 1 23 23 ALA N N 23 122.253 122.253 119.290 2.963 18732 404 1 2 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.377 -0.276 18732 405 1 2 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.148 -0.922 18732 406 1 2 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.599 -3.090 18732 407 1 2 . 1 1 24 24 LYS N N 24 116.889 116.889 115.583 1.306 18732 408 1 2 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.447 -0.428 18732 409 1 2 . 1 1 24 24 LYS CA C 24 55.745 55.745 57.601 -1.856 18732 410 1 2 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.428 -4.243 18732 411 1 2 . 1 1 25 25 LYS N N 25 117.772 117.772 121.426 -3.654 18732 412 1 2 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.180 -0.157 18732 413 1 2 . 1 1 25 25 LYS CA C 25 56.340 56.340 59.011 -2.671 18732 414 1 2 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.236 -2.034 18732 415 1 2 . 1 1 26 26 ARG N N 26 117.176 117.176 118.400 -1.224 18732 416 1 2 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.060 -0.003 18732 417 1 2 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.247 -3.256 18732 418 1 2 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.609 -2.575 18732 419 1 2 . 1 1 27 27 TYR N N 27 117.344 117.344 118.408 -1.064 18732 420 1 2 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.918 0.164 18732 421 1 2 . 1 1 27 27 TYR CA C 27 52.558 52.558 54.741 -2.183 18732 422 1 2 . 1 1 27 27 TYR CB C 27 35.987 35.987 39.331 -3.344 18732 423 1 2 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.523 0.226 18732 424 1 2 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.570 -2.177 18732 425 1 2 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.318 -2.463 18732 426 1 2 . 1 1 29 29 LEU N N 29 117.758 117.758 117.895 -0.137 18732 427 1 2 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.649 -0.060 18732 428 1 2 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.029 -2.455 18732 429 1 2 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.843 -2.953 18732 430 1 2 . 1 1 30 30 ALA N N 30 122.493 122.493 119.263 3.230 18732 431 1 2 . 1 1 30 30 ALA HA H 30 4.851 4.851 5.026 -0.175 18732 432 1 2 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.854 -1.999 18732 433 1 2 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.092 -2.424 18732 434 1 2 . 1 1 31 31 GLN N N 31 118.936 118.936 117.990 0.946 18732 435 1 2 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.692 -0.053 18732 436 1 2 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.613 -3.342 18732 437 1 2 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.554 -3.711 18732 438 1 2 . 1 1 32 32 VAL N N 32 123.815 123.815 122.982 0.833 18732 439 1 2 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.303 0.362 18732 440 1 2 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.463 -1.198 18732 441 1 2 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.379 -3.501 18732 442 1 2 . 1 1 33 33 LEU N N 33 128.709 128.709 124.314 4.395 18732 443 1 2 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.761 -0.519 18732 444 1 2 . 1 1 33 33 LEU CA C 33 53.383 53.383 53.347 0.035 18732 445 1 2 . 1 1 33 33 LEU CB C 33 41.123 41.123 41.831 -0.708 18732 446 1 2 . 1 1 34 34 PHE N N 34 114.779 114.779 120.863 -6.084 18732 447 1 2 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.682 -0.776 18732 448 1 2 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.544 -3.629 18732 449 1 2 . 1 1 34 34 PHE CB C 34 40.653 40.653 42.324 -1.671 18732 450 1 2 . 1 1 35 35 LYS N N 35 120.077 120.077 124.486 -4.409 18732 451 1 2 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.617 0.621 18732 452 1 2 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.446 -3.149 18732 453 1 2 . 1 1 35 35 LYS CB C 35 32.998 32.998 32.894 0.104 18732 454 1 2 . 1 1 36 36 GLN N N 36 119.491 119.491 122.009 -2.518 18732 455 1 2 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.606 0.630 18732 456 1 2 . 1 1 36 36 GLN CA C 36 52.197 52.197 56.442 -4.245 18732 457 1 2 . 1 1 36 36 GLN CB C 36 30.609 30.609 30.654 -0.045 18732 458 1 2 . 1 1 37 37 LYS N N 37 128.471 128.471 121.831 6.640 18732 459 1 2 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.415 0.380 18732 460 1 2 . 1 1 37 37 LYS CA C 37 54.661 54.661 56.902 -2.241 18732 461 1 2 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.294 -2.021 18732 462 1 2 . 1 1 38 38 VAL N N 38 125.112 125.112 118.936 6.176 18732 463 1 2 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.480 -0.143 18732 464 1 2 . 1 1 38 38 VAL CA C 38 60.252 60.252 60.420 -0.169 18732 465 1 2 . 1 1 38 38 VAL CB C 38 30.720 30.720 34.259 -3.539 18732 466 1 2 . 1 1 39 39 TRP N N 39 123.085 123.085 125.521 -2.436 18732 467 1 2 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.533 0.316 18732 468 1 2 . 1 1 39 39 TRP CA C 39 54.206 54.206 58.495 -4.289 18732 469 1 2 . 1 1 39 39 TRP CB C 39 30.461 30.461 29.864 0.597 18732 470 1 2 . 1 1 40 40 ASP N N 40 123.000 123.000 122.234 0.766 18732 471 1 2 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.726 0.402 18732 472 1 2 . 1 1 40 40 ASP CA C 40 51.105 51.105 52.745 -1.639 18732 473 1 2 . 1 1 40 40 ASP CB C 40 41.077 41.077 43.813 -2.736 18732 474 1 2 . 1 1 41 41 ARG N N 41 123.259 123.259 118.082 5.177 18732 475 1 2 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.254 0.294 18732 476 1 2 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.903 -2.280 18732 477 1 2 . 1 1 41 41 ARG CB C 41 31.417 31.417 33.650 -2.232 18732 478 1 2 . 1 1 42 42 LYS N N 42 124.798 124.798 120.735 4.063 18732 479 1 2 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.443 0.245 18732 480 1 2 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.858 -1.085 18732 481 1 2 . 1 1 42 42 LYS CB C 42 31.787 31.787 35.664 -3.877 18732 482 1 2 . 1 1 43 43 ARG N N 43 124.461 124.461 119.229 5.232 18732 483 1 2 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.707 -0.058 18732 484 1 2 . 1 1 43 43 ARG CA C 43 52.179 52.179 53.551 -1.372 18732 485 1 2 . 1 1 43 43 ARG CB C 43 30.149 30.149 30.953 -0.804 18732 486 1 2 . 1 1 44 44 LYS N N 44 121.297 121.297 121.661 -0.364 18732 487 1 2 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.107 -0.084 18732 488 1 2 . 1 1 44 44 LYS CA C 44 56.636 56.636 59.014 -2.378 18732 489 1 2 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.237 -2.125 18732 490 1 2 . 1 1 45 45 ASP N N 45 115.145 115.145 115.645 -0.500 18732 491 1 2 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.899 -0.149 18732 492 1 2 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.827 -2.727 18732 493 1 2 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.122 -2.429 18732 494 1 2 . 1 1 46 46 GLU N N 46 118.274 118.274 118.912 -0.638 18732 495 1 2 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.827 -0.360 18732 496 1 2 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.667 -1.945 18732 497 1 2 . 1 1 46 46 GLU CB C 46 30.070 30.070 34.363 -4.293 18732 498 1 2 . 1 1 47 47 ALA N N 47 127.506 127.506 122.420 5.086 18732 499 1 2 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.580 0.114 18732 500 1 2 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.550 -2.442 18732 501 1 2 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.345 -3.503 18732 502 1 2 . 1 1 48 48 VAL N N 48 118.088 118.088 120.593 -2.505 18732 503 1 2 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.449 0.896 18732 504 1 2 . 1 1 48 48 VAL CA C 48 57.625 57.625 61.438 -3.812 18732 505 1 2 . 1 1 48 48 VAL CB C 48 33.496 33.496 34.245 -0.749 18732 506 1 2 . 1 1 49 49 LYS N N 49 124.725 124.725 126.526 -1.801 18732 507 1 2 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.662 0.695 18732 508 1 2 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.728 -3.689 18732 509 1 2 . 1 1 50 50 GLN N N 50 121.028 121.028 122.626 -1.598 18732 510 1 2 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.572 0.414 18732 511 1 2 . 1 1 50 50 GLN CA C 50 52.113 52.113 53.506 -1.393 18732 512 1 2 . 1 1 50 50 GLN CB C 50 23.684 23.684 32.601 -8.917 18732 513 1 2 . 1 1 51 51 TYR N N 51 124.549 124.549 116.840 7.709 18732 514 1 2 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.905 0.313 18732 515 1 2 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.147 -2.597 18732 516 1 2 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.791 -2.511 18732 517 1 2 . 1 1 52 52 HIS N N 52 121.301 121.301 119.483 1.818 18732 518 1 2 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.035 0.184 18732 519 1 2 . 1 1 52 52 HIS CA C 52 51.708 51.708 54.621 -2.913 18732 520 1 2 . 1 1 52 52 HIS CB C 52 28.907 28.907 32.652 -3.745 18732 521 1 2 . 1 1 53 53 LEU N N 53 127.743 127.743 124.935 2.808 18732 522 1 2 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.816 0.392 18732 523 1 2 . 1 1 53 53 LEU CA C 53 50.887 50.887 54.009 -3.122 18732 524 1 2 . 1 1 53 53 LEU CB C 53 42.084 42.084 46.895 -4.811 18732 525 1 2 . 1 1 54 54 THR N N 54 117.996 117.996 117.136 0.860 18732 526 1 2 . 1 1 54 54 THR HA H 54 4.600 4.600 4.562 0.038 18732 527 1 2 . 1 1 54 54 THR CA C 54 59.774 59.774 61.532 -1.758 18732 528 1 2 . 1 1 54 54 THR CB C 54 67.153 67.153 70.347 -3.194 18732 529 1 2 . 1 1 55 55 LEU N N 55 129.329 129.329 125.346 3.983 18732 530 1 2 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.719 0.355 18732 531 1 2 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.131 -2.362 18732 532 1 2 . 1 1 55 55 LEU CB C 55 42.090 42.090 42.612 -0.522 18732 533 1 2 . 1 1 56 56 ARG N N 56 117.231 117.231 120.421 -3.190 18732 534 1 2 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.757 0.600 18732 535 1 2 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.984 -3.109 18732 536 1 2 . 1 1 56 56 ARG CB C 56 31.945 31.945 32.519 -0.574 18732 537 1 2 . 1 1 57 57 GLU N N 57 128.411 128.411 129.206 -0.795 18732 538 1 2 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.904 -0.213 18732 539 1 2 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.075 -2.211 18732 540 1 2 . 1 1 57 57 GLU CB C 57 29.942 29.942 31.517 -1.575 18732 541 1 2 . 1 1 58 58 GLY N N 58 118.265 118.265 116.992 1.273 18732 542 1 2 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.175 -2.232 18732 543 1 2 . 1 1 59 59 SER N N 59 122.061 122.061 120.372 1.689 18732 544 1 2 . 1 1 59 59 SER HA H 59 4.567 4.567 4.613 -0.046 18732 545 1 2 . 1 1 59 59 SER CA C 59 55.730 55.730 58.286 -2.557 18732 546 1 2 . 1 1 59 59 SER CB C 59 61.262 61.262 63.524 -2.262 18732 547 1 2 . 1 1 60 60 LYS N N 60 124.154 124.154 122.601 1.553 18732 548 1 2 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.673 -0.053 18732 549 1 2 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.751 -2.307 18732 550 1 2 . 1 1 60 60 LYS CB C 60 32.144 32.144 35.322 -3.178 18732 551 1 2 . 1 1 61 61 GLU N N 61 125.701 125.701 123.286 2.415 18732 552 1 2 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.320 0.194 18732 553 1 2 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.297 -3.191 18732 554 1 2 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.549 -3.009 18732 555 1 2 . 1 1 62 62 PHE N N 62 121.360 121.360 120.064 1.296 18732 556 1 2 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.890 0.156 18732 557 1 2 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.842 -2.479 18732 558 1 2 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.273 -3.474 18732 559 1 2 . 1 1 63 63 GLY N N 63 107.546 107.546 109.710 -2.164 18732 560 1 2 . 1 1 63 63 GLY CA C 63 41.632 41.632 44.221 -2.589 18732 561 1 2 . 1 1 64 64 VAL N N 64 115.031 115.031 118.870 -3.839 18732 562 1 2 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.724 0.296 18732 563 1 2 . 1 1 64 64 VAL CA C 64 57.030 57.030 60.097 -3.067 18732 564 1 2 . 1 1 64 64 VAL CB C 64 34.152 34.152 34.550 -0.398 18732 565 1 2 . 1 1 65 65 PHE N N 65 122.208 122.208 125.822 -3.614 18732 566 1 2 . 1 1 65 65 PHE HA H 65 5.632 5.632 4.868 0.764 18732 567 1 2 . 1 1 65 65 PHE CA C 65 54.000 54.000 58.781 -4.781 18732 568 1 2 . 1 1 65 65 PHE CB C 65 39.295 39.295 40.108 -0.813 18732 569 1 2 . 1 1 66 66 VAL N N 66 123.832 123.832 118.284 5.548 18732 570 1 2 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.456 0.701 18732 571 1 2 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.423 -2.789 18732 572 1 2 . 1 1 66 66 VAL CB C 66 32.312 32.312 35.273 -2.961 18732 573 1 2 . 1 1 67 67 THR N N 67 125.293 125.293 123.231 2.062 18732 574 1 2 . 1 1 67 67 THR CA C 67 57.150 57.150 62.004 -4.854 18732 575 1 2 . 1 1 67 67 THR CB C 67 67.050 67.050 69.901 -2.851 18732 576 1 2 . 1 1 68 68 ILE N N 68 128.624 128.624 128.711 -0.087 18732 577 1 2 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.565 0.298 18732 578 1 2 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.555 -2.322 18732 579 1 2 . 1 1 68 68 ILE CB C 68 39.314 39.314 40.587 -1.273 18732 580 1 2 . 1 1 69 69 SER N N 69 122.023 122.023 122.065 -0.042 18732 581 1 2 . 1 1 69 69 SER HA H 69 5.804 5.804 5.123 0.681 18732 582 1 2 . 1 1 69 69 SER CA C 69 53.530 53.530 57.197 -3.667 18732 583 1 2 . 1 1 69 69 SER CB C 69 61.921 61.921 65.134 -3.213 18732 584 1 2 . 1 1 70 70 PHE N N 70 123.800 123.800 121.696 2.104 18732 585 1 2 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.510 -0.133 18732 586 1 2 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.352 -2.209 18732 587 1 2 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.702 -1.334 18732 588 1 2 . 1 1 71 71 ASP N N 71 121.547 121.547 119.446 2.101 18732 589 1 2 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.178 -0.079 18732 590 1 2 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.386 -2.164 18732 591 1 2 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.629 -3.784 18732 592 1 2 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.544 -0.179 18732 593 1 2 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.197 -2.598 18732 594 1 2 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.099 -2.433 18732 595 1 2 . 1 1 73 73 TYR N N 73 118.085 118.085 120.073 -1.988 18732 596 1 2 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.364 0.262 18732 597 1 2 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.047 -2.717 18732 598 1 2 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.570 -2.990 18732 599 1 2 . 1 1 74 74 SER N N 74 113.942 113.942 110.887 3.055 18732 600 1 2 . 1 1 74 74 SER HA H 74 4.506 4.506 4.620 -0.114 18732 601 1 2 . 1 1 74 74 SER CA C 74 56.253 56.253 58.048 -1.795 18732 602 1 2 . 1 1 74 74 SER CB C 74 62.670 62.670 63.929 -1.259 18732 603 1 2 . 1 1 75 75 GLN N N 75 115.717 115.717 119.165 -3.448 18732 604 1 2 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.570 -0.326 18732 605 1 2 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.081 -1.509 18732 606 1 2 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.558 -2.934 18732 607 1 2 . 1 1 76 76 LYS N N 76 119.205 119.205 120.866 -1.661 18732 608 1 2 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.314 0.130 18732 609 1 2 . 1 1 76 76 LYS CA C 76 54.013 54.013 56.300 -2.287 18732 610 1 2 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.126 -1.751 18732 611 1 2 . 1 1 77 77 VAL N N 77 125.587 125.587 126.241 -0.654 18732 612 1 2 . 1 1 77 77 VAL HA H 77 4.004 4.004 3.926 0.078 18732 613 1 2 . 1 1 77 77 VAL CA C 77 61.558 61.558 63.830 -2.272 18732 614 1 2 . 1 1 77 77 VAL CB C 77 30.401 30.401 31.367 -0.966 18732 615 1 2 . 1 1 78 78 ASN N N 78 126.604 126.604 128.475 -1.871 18732 616 1 2 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.809 0.141 18732 617 1 2 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.776 -3.199 18732 618 1 2 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.571 -2.210 18732 619 1 2 . 1 1 79 79 LYS N N 79 118.463 118.463 118.338 0.125 18732 620 1 2 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.756 -0.138 18732 621 1 2 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.326 -1.754 18732 622 1 2 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.960 -3.431 18732 623 1 2 . 1 1 80 80 ILE N N 80 123.294 123.294 119.352 3.942 18732 624 1 2 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.050 0.021 18732 625 1 2 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.877 -2.181 18732 626 1 2 . 1 1 80 80 ILE CB C 80 38.260 38.260 40.994 -2.734 18732 627 1 2 . 1 1 81 81 ALA N N 81 130.466 130.466 127.365 3.101 18732 628 1 2 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.776 0.260 18732 629 1 2 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.132 -2.910 18732 630 1 2 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.263 -2.189 18732 631 1 2 . 1 1 82 82 ILE N N 82 122.249 122.249 118.726 3.523 18732 632 1 2 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.576 0.666 18732 633 1 2 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.959 -2.284 18732 634 1 2 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.625 -3.833 18732 635 1 2 . 1 1 83 83 LEU N N 83 129.605 129.605 123.063 6.542 18732 636 1 2 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.999 -0.045 18732 637 1 2 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.487 -2.155 18732 638 1 2 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.566 -3.091 18732 639 1 2 . 1 1 84 84 GLU N N 84 125.594 125.594 119.919 5.675 18732 640 1 2 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.699 0.013 18732 641 1 2 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.325 -0.935 18732 642 1 2 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.214 -5.092 18732 643 1 2 . 1 1 85 85 GLU N N 85 123.904 123.904 126.038 -2.134 18732 644 1 2 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.496 -0.067 18732 645 1 2 . 1 1 85 85 GLU CA C 85 53.896 53.896 55.886 -1.990 18732 646 1 2 . 1 1 85 85 GLU CB C 85 28.642 28.642 31.294 -2.652 18732 647 1 2 . 1 1 86 86 TYR N N 86 123.323 123.323 121.558 1.765 18732 648 1 2 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.768 -0.047 18732 649 1 2 . 1 1 86 86 TYR CA C 86 53.909 53.909 57.345 -3.436 18732 650 1 2 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.302 -2.706 18732 651 1 3 . 1 1 2 2 GLU N N 2 120.598 120.598 120.971 -0.373 18732 652 1 3 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.744 -1.779 18732 653 1 3 . 1 1 2 2 GLU CB C 2 27.978 27.978 31.188 -3.210 18732 654 1 3 . 1 1 3 3 GLU N N 3 120.984 120.984 118.412 2.572 18732 655 1 3 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.533 -0.335 18732 656 1 3 . 1 1 3 3 GLU CA C 3 60.035 60.035 56.559 3.476 18732 657 1 3 . 1 1 3 3 GLU CB C 3 30.268 30.268 31.070 -0.802 18732 658 1 3 . 1 1 4 4 THR N N 4 117.936 117.936 108.261 9.675 18732 659 1 3 . 1 1 4 4 THR HA H 4 4.665 4.665 4.602 0.063 18732 660 1 3 . 1 1 4 4 THR CA C 4 57.307 57.307 59.597 -2.290 18732 661 1 3 . 1 1 4 4 THR CB C 4 67.215 67.215 70.431 -3.217 18732 662 1 3 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.372 -2.632 18732 663 1 3 . 1 1 5 5 PRO CB C 5 29.700 29.700 32.186 -2.486 18732 664 1 3 . 1 1 6 6 LEU N N 6 122.097 122.097 120.521 1.576 18732 665 1 3 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.320 0.061 18732 666 1 3 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.063 -1.048 18732 667 1 3 . 1 1 6 6 LEU CB C 6 40.054 40.054 39.494 0.560 18732 668 1 3 . 1 1 8 8 THR N N 8 116.987 116.987 117.413 -0.426 18732 669 1 3 . 1 1 8 8 THR HA H 8 4.348 4.348 4.439 -0.091 18732 670 1 3 . 1 1 8 8 THR CA C 8 59.340 59.340 62.108 -2.768 18732 671 1 3 . 1 1 8 8 THR CB C 8 67.234 67.234 69.808 -2.574 18732 672 1 3 . 1 1 9 9 ALA N N 9 125.944 125.944 129.939 -3.995 18732 673 1 3 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.309 0.065 18732 674 1 3 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.082 -2.073 18732 675 1 3 . 1 1 9 9 ALA CB C 9 16.807 16.807 17.999 -1.192 18732 676 1 3 . 1 1 10 10 ARG N N 10 119.637 119.637 124.294 -4.657 18732 677 1 3 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.361 -0.038 18732 678 1 3 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.581 -2.049 18732 679 1 3 . 1 1 10 10 ARG CB C 10 28.492 28.492 30.951 -2.459 18732 680 1 3 . 1 1 11 11 HIS N N 11 119.667 119.667 117.837 1.830 18732 681 1 3 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.714 0.003 18732 682 1 3 . 1 1 11 11 HIS CA C 11 52.790 52.790 55.030 -2.240 18732 683 1 3 . 1 1 11 11 HIS CB C 11 27.033 27.033 31.882 -4.849 18732 684 1 3 . 1 1 12 12 MET N N 12 122.280 122.280 120.857 1.423 18732 685 1 3 . 1 1 12 12 MET HA H 12 4.543 4.543 4.309 0.234 18732 686 1 3 . 1 1 12 12 MET CA C 12 53.058 53.058 55.735 -2.677 18732 687 1 3 . 1 1 12 12 MET CB C 12 29.647 29.647 33.520 -3.873 18732 688 1 3 . 1 1 13 13 SER N N 13 118.363 118.363 112.425 5.938 18732 689 1 3 . 1 1 13 13 SER HA H 13 4.515 4.515 4.617 -0.102 18732 690 1 3 . 1 1 13 13 SER CA C 13 55.083 55.083 57.313 -2.230 18732 691 1 3 . 1 1 13 13 SER CB C 13 62.243 62.243 64.850 -2.607 18732 692 1 3 . 1 1 14 14 LYS N N 14 123.039 123.039 123.875 -0.836 18732 693 1 3 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.989 -0.063 18732 694 1 3 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.503 -2.623 18732 695 1 3 . 1 1 14 14 LYS CB C 14 29.495 29.495 32.132 -2.637 18732 696 1 3 . 1 1 15 15 TRP N N 15 118.585 118.585 117.508 1.077 18732 697 1 3 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.753 -0.373 18732 698 1 3 . 1 1 15 15 TRP CA C 15 55.569 55.569 57.778 -2.209 18732 699 1 3 . 1 1 15 15 TRP CB C 15 27.426 27.426 29.620 -2.194 18732 700 1 3 . 1 1 16 16 GLU N N 16 119.418 119.418 121.065 -1.647 18732 701 1 3 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.760 -0.784 18732 702 1 3 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.472 -3.933 18732 703 1 3 . 1 1 16 16 GLU CB C 16 27.787 27.787 28.916 -1.129 18732 704 1 3 . 1 1 17 17 GLU N N 17 117.377 117.377 118.095 -0.718 18732 705 1 3 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.082 -0.172 18732 706 1 3 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.360 -2.462 18732 707 1 3 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.463 -2.611 18732 708 1 3 . 1 1 18 18 ILE N N 18 119.807 119.807 120.232 -0.425 18732 709 1 3 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.831 -0.163 18732 710 1 3 . 1 1 18 18 ILE CA C 18 62.745 62.745 64.518 -1.773 18732 711 1 3 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.869 -2.206 18732 712 1 3 . 1 1 19 19 ALA N N 19 121.744 121.744 123.476 -1.732 18732 713 1 3 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.060 -0.105 18732 714 1 3 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.519 -2.076 18732 715 1 3 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.423 -3.149 18732 716 1 3 . 1 1 20 20 VAL N N 20 115.918 115.918 117.509 -1.591 18732 717 1 3 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.612 -0.213 18732 718 1 3 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.654 -2.325 18732 719 1 3 . 1 1 20 20 VAL CB C 20 29.404 29.404 30.895 -1.490 18732 720 1 3 . 1 1 21 21 LYS N N 21 119.785 119.785 119.516 0.269 18732 721 1 3 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.958 -0.037 18732 722 1 3 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.298 -2.856 18732 723 1 3 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.248 1.264 18732 724 1 3 . 1 1 22 22 GLU N N 22 118.955 118.955 118.888 0.067 18732 725 1 3 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.313 -0.244 18732 726 1 3 . 1 1 22 22 GLU CA C 22 56.261 56.261 58.946 -2.685 18732 727 1 3 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.263 -3.167 18732 728 1 3 . 1 1 23 23 ALA N N 23 122.253 122.253 123.422 -1.169 18732 729 1 3 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.202 -0.101 18732 730 1 3 . 1 1 23 23 ALA CA C 23 53.226 53.226 55.245 -2.019 18732 731 1 3 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.485 -2.976 18732 732 1 3 . 1 1 24 24 LYS N N 24 116.889 116.889 116.394 0.495 18732 733 1 3 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.174 -0.155 18732 734 1 3 . 1 1 24 24 LYS CA C 24 55.745 55.745 58.746 -3.001 18732 735 1 3 . 1 1 24 24 LYS CB C 24 29.185 29.185 32.663 -3.478 18732 736 1 3 . 1 1 25 25 LYS N N 25 117.772 117.772 120.128 -2.356 18732 737 1 3 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.183 -0.160 18732 738 1 3 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.696 -2.356 18732 739 1 3 . 1 1 25 25 LYS CB C 25 30.202 30.202 31.971 -1.769 18732 740 1 3 . 1 1 26 26 ARG N N 26 117.176 117.176 118.636 -1.460 18732 741 1 3 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.238 -0.181 18732 742 1 3 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.040 -3.049 18732 743 1 3 . 1 1 26 26 ARG CB C 26 28.034 28.034 31.084 -3.050 18732 744 1 3 . 1 1 27 27 TYR N N 27 117.344 117.344 118.701 -1.357 18732 745 1 3 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.916 0.166 18732 746 1 3 . 1 1 27 27 TYR CA C 27 52.558 52.558 54.782 -2.224 18732 747 1 3 . 1 1 27 27 TYR CB C 27 35.987 35.987 39.166 -3.179 18732 748 1 3 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.584 0.165 18732 749 1 3 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.444 -2.051 18732 750 1 3 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.444 -2.589 18732 751 1 3 . 1 1 29 29 LEU N N 29 117.758 117.758 117.777 -0.019 18732 752 1 3 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.419 0.170 18732 753 1 3 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.446 -2.872 18732 754 1 3 . 1 1 29 29 LEU CB C 29 38.890 38.890 42.047 -3.157 18732 755 1 3 . 1 1 30 30 ALA N N 30 122.493 122.493 118.191 4.302 18732 756 1 3 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.886 -0.035 18732 757 1 3 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.765 -1.910 18732 758 1 3 . 1 1 30 30 ALA CB C 30 19.668 19.668 21.812 -2.144 18732 759 1 3 . 1 1 31 31 GLN N N 31 118.936 118.936 118.322 0.614 18732 760 1 3 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.748 -0.109 18732 761 1 3 . 1 1 31 31 GLN CA C 31 51.271 51.271 53.473 -2.202 18732 762 1 3 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.011 -3.167 18732 763 1 3 . 1 1 32 32 VAL N N 32 123.815 123.815 122.110 1.705 18732 764 1 3 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.214 0.451 18732 765 1 3 . 1 1 32 32 VAL CA C 32 60.265 60.265 62.579 -2.314 18732 766 1 3 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.228 -3.350 18732 767 1 3 . 1 1 33 33 LEU N N 33 128.709 128.709 123.656 5.053 18732 768 1 3 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.675 -0.433 18732 769 1 3 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.743 -1.360 18732 770 1 3 . 1 1 33 33 LEU CB C 33 41.123 41.123 43.031 -1.908 18732 771 1 3 . 1 1 34 34 PHE N N 34 114.779 114.779 119.337 -4.558 18732 772 1 3 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.591 -0.685 18732 773 1 3 . 1 1 34 34 PHE CA C 34 53.915 53.915 56.965 -3.050 18732 774 1 3 . 1 1 34 34 PHE CB C 34 40.653 40.653 42.405 -1.752 18732 775 1 3 . 1 1 35 35 LYS N N 35 120.077 120.077 119.645 0.432 18732 776 1 3 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.505 0.733 18732 777 1 3 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.352 -3.055 18732 778 1 3 . 1 1 35 35 LYS CB C 35 32.998 32.998 32.523 0.475 18732 779 1 3 . 1 1 36 36 GLN N N 36 119.491 119.491 121.727 -2.236 18732 780 1 3 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.489 0.747 18732 781 1 3 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.743 -2.546 18732 782 1 3 . 1 1 36 36 GLN CB C 36 30.609 30.609 31.080 -0.471 18732 783 1 3 . 1 1 37 37 LYS N N 37 128.471 128.471 119.315 9.156 18732 784 1 3 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.414 0.381 18732 785 1 3 . 1 1 37 37 LYS CA C 37 54.661 54.661 56.012 -1.351 18732 786 1 3 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.342 -2.069 18732 787 1 3 . 1 1 38 38 VAL N N 38 125.112 125.112 113.826 11.286 18732 788 1 3 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.611 -0.274 18732 789 1 3 . 1 1 38 38 VAL CA C 38 60.252 60.252 59.660 0.592 18732 790 1 3 . 1 1 38 38 VAL CB C 38 30.720 30.720 34.067 -3.347 18732 791 1 3 . 1 1 39 39 TRP N N 39 123.085 123.085 123.212 -0.127 18732 792 1 3 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.490 0.359 18732 793 1 3 . 1 1 39 39 TRP CA C 39 54.206 54.206 57.639 -3.433 18732 794 1 3 . 1 1 39 39 TRP CB C 39 30.461 30.461 28.922 1.539 18732 795 1 3 . 1 1 40 40 ASP N N 40 123.000 123.000 128.969 -5.969 18732 796 1 3 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.630 0.498 18732 797 1 3 . 1 1 40 40 ASP CA C 40 51.105 51.105 54.200 -3.095 18732 798 1 3 . 1 1 40 40 ASP CB C 40 41.077 41.077 41.150 -0.073 18732 799 1 3 . 1 1 41 41 ARG N N 41 123.259 123.259 126.300 -3.041 18732 800 1 3 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.338 0.210 18732 801 1 3 . 1 1 41 41 ARG CA C 41 52.623 52.623 53.897 -1.274 18732 802 1 3 . 1 1 41 41 ARG CB C 41 31.417 31.417 32.669 -1.252 18732 803 1 3 . 1 1 42 42 LYS N N 42 124.798 124.798 122.803 1.995 18732 804 1 3 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.324 0.364 18732 805 1 3 . 1 1 42 42 LYS CA C 42 53.773 53.773 55.015 -1.242 18732 806 1 3 . 1 1 42 42 LYS CB C 42 31.787 31.787 35.147 -3.360 18732 807 1 3 . 1 1 43 43 ARG N N 43 124.461 124.461 122.087 2.374 18732 808 1 3 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.685 -0.036 18732 809 1 3 . 1 1 43 43 ARG CA C 43 52.179 52.179 53.881 -1.702 18732 810 1 3 . 1 1 43 43 ARG CB C 43 30.149 30.149 31.123 -0.974 18732 811 1 3 . 1 1 44 44 LYS N N 44 121.297 121.297 120.272 1.025 18732 812 1 3 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.117 -0.094 18732 813 1 3 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.473 -1.837 18732 814 1 3 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.775 -2.663 18732 815 1 3 . 1 1 45 45 ASP N N 45 115.145 115.145 114.185 0.960 18732 816 1 3 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.980 -0.230 18732 817 1 3 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.484 -2.384 18732 818 1 3 . 1 1 45 45 ASP CB C 45 38.693 38.693 40.182 -1.489 18732 819 1 3 . 1 1 46 46 GLU N N 46 118.274 118.274 117.874 0.400 18732 820 1 3 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.524 -0.057 18732 821 1 3 . 1 1 46 46 GLU CA C 46 53.722 53.722 56.318 -2.596 18732 822 1 3 . 1 1 46 46 GLU CB C 46 30.070 30.070 32.772 -2.702 18732 823 1 3 . 1 1 47 47 ALA N N 47 127.506 127.506 121.676 5.830 18732 824 1 3 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.465 0.229 18732 825 1 3 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.768 -2.660 18732 826 1 3 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.507 -3.665 18732 827 1 3 . 1 1 48 48 VAL N N 48 118.088 118.088 119.258 -1.170 18732 828 1 3 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.409 0.936 18732 829 1 3 . 1 1 48 48 VAL CA C 48 57.625 57.625 61.979 -4.354 18732 830 1 3 . 1 1 48 48 VAL CB C 48 33.496 33.496 34.931 -1.435 18732 831 1 3 . 1 1 49 49 LYS N N 49 124.725 124.725 128.558 -3.833 18732 832 1 3 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.607 0.750 18732 833 1 3 . 1 1 49 49 LYS CA C 49 52.039 52.039 54.701 -2.662 18732 834 1 3 . 1 1 50 50 GLN N N 50 121.028 121.028 121.127 -0.099 18732 835 1 3 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.395 0.591 18732 836 1 3 . 1 1 50 50 GLN CA C 50 52.113 52.113 54.238 -2.125 18732 837 1 3 . 1 1 50 50 GLN CB C 50 23.684 23.684 31.568 -7.884 18732 838 1 3 . 1 1 51 51 TYR N N 51 124.549 124.549 116.778 7.771 18732 839 1 3 . 1 1 51 51 TYR HA H 51 5.218 5.218 5.133 0.085 18732 840 1 3 . 1 1 51 51 TYR CA C 51 54.550 54.550 56.598 -2.048 18732 841 1 3 . 1 1 51 51 TYR CB C 51 40.280 40.280 41.992 -1.712 18732 842 1 3 . 1 1 52 52 HIS N N 52 121.301 121.301 122.809 -1.508 18732 843 1 3 . 1 1 52 52 HIS HA H 52 5.219 5.219 4.649 0.570 18732 844 1 3 . 1 1 52 52 HIS CA C 52 51.708 51.708 55.283 -3.575 18732 845 1 3 . 1 1 52 52 HIS CB C 52 28.907 28.907 30.318 -1.411 18732 846 1 3 . 1 1 53 53 LEU N N 53 127.743 127.743 126.603 1.140 18732 847 1 3 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.601 0.607 18732 848 1 3 . 1 1 53 53 LEU CA C 53 50.887 50.887 53.734 -2.847 18732 849 1 3 . 1 1 53 53 LEU CB C 53 42.084 42.084 45.308 -3.224 18732 850 1 3 . 1 1 54 54 THR N N 54 117.996 117.996 116.018 1.978 18732 851 1 3 . 1 1 54 54 THR HA H 54 4.600 4.600 4.395 0.205 18732 852 1 3 . 1 1 54 54 THR CA C 54 59.774 59.774 60.464 -0.690 18732 853 1 3 . 1 1 54 54 THR CB C 54 67.153 67.153 69.931 -2.778 18732 854 1 3 . 1 1 55 55 LEU N N 55 129.329 129.329 123.196 6.133 18732 855 1 3 . 1 1 55 55 LEU HA H 55 5.074 5.074 5.227 -0.153 18732 856 1 3 . 1 1 55 55 LEU CA C 55 50.769 50.769 52.747 -1.978 18732 857 1 3 . 1 1 55 55 LEU CB C 55 42.090 42.090 45.624 -3.534 18732 858 1 3 . 1 1 56 56 ARG N N 56 117.231 117.231 119.618 -2.387 18732 859 1 3 . 1 1 56 56 ARG HA H 56 5.357 5.357 5.097 0.260 18732 860 1 3 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.441 -2.566 18732 861 1 3 . 1 1 56 56 ARG CB C 56 31.945 31.945 33.677 -1.732 18732 862 1 3 . 1 1 57 57 GLU N N 57 128.411 128.411 127.561 0.850 18732 863 1 3 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.767 -0.076 18732 864 1 3 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.241 -2.377 18732 865 1 3 . 1 1 57 57 GLU CB C 57 29.942 29.942 31.961 -2.019 18732 866 1 3 . 1 1 58 58 GLY N N 58 118.265 118.265 116.641 1.624 18732 867 1 3 . 1 1 58 58 GLY CA C 58 44.943 44.943 46.850 -1.907 18732 868 1 3 . 1 1 59 59 SER N N 59 122.061 122.061 118.894 3.167 18732 869 1 3 . 1 1 59 59 SER HA H 59 4.567 4.567 4.649 -0.082 18732 870 1 3 . 1 1 59 59 SER CA C 59 55.730 55.730 58.177 -2.447 18732 871 1 3 . 1 1 59 59 SER CB C 59 61.262 61.262 63.579 -2.317 18732 872 1 3 . 1 1 60 60 LYS N N 60 124.154 124.154 122.805 1.349 18732 873 1 3 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.585 0.035 18732 874 1 3 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.400 -1.956 18732 875 1 3 . 1 1 60 60 LYS CB C 60 32.144 32.144 34.691 -2.547 18732 876 1 3 . 1 1 61 61 GLU N N 61 125.701 125.701 124.961 0.740 18732 877 1 3 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.148 0.366 18732 878 1 3 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.597 -3.491 18732 879 1 3 . 1 1 61 61 GLU CB C 61 29.540 29.540 31.707 -2.167 18732 880 1 3 . 1 1 62 62 PHE N N 62 121.360 121.360 118.886 2.474 18732 881 1 3 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.941 0.105 18732 882 1 3 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.741 -2.378 18732 883 1 3 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.700 -3.901 18732 884 1 3 . 1 1 63 63 GLY N N 63 107.546 107.546 107.611 -0.065 18732 885 1 3 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.866 -2.234 18732 886 1 3 . 1 1 64 64 VAL N N 64 115.031 115.031 115.549 -0.518 18732 887 1 3 . 1 1 64 64 VAL HA H 64 5.020 5.020 5.022 -0.002 18732 888 1 3 . 1 1 64 64 VAL CA C 64 57.030 57.030 58.830 -1.800 18732 889 1 3 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.199 -1.047 18732 890 1 3 . 1 1 65 65 PHE N N 65 122.208 122.208 121.231 0.977 18732 891 1 3 . 1 1 65 65 PHE HA H 65 5.632 5.632 4.930 0.702 18732 892 1 3 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.681 -2.681 18732 893 1 3 . 1 1 65 65 PHE CB C 65 39.295 39.295 40.398 -1.103 18732 894 1 3 . 1 1 66 66 VAL N N 66 123.832 123.832 126.354 -2.522 18732 895 1 3 . 1 1 66 66 VAL HA H 66 5.157 5.157 3.929 1.228 18732 896 1 3 . 1 1 66 66 VAL CA C 66 58.634 58.634 64.597 -5.963 18732 897 1 3 . 1 1 66 66 VAL CB C 66 32.312 32.312 31.921 0.391 18732 898 1 3 . 1 1 67 67 THR N N 67 125.293 125.293 124.444 0.849 18732 899 1 3 . 1 1 67 67 THR CA C 67 57.150 57.150 61.450 -4.300 18732 900 1 3 . 1 1 67 67 THR CB C 67 67.050 67.050 70.366 -3.316 18732 901 1 3 . 1 1 68 68 ILE N N 68 128.624 128.624 127.690 0.934 18732 902 1 3 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.696 0.167 18732 903 1 3 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.609 -2.376 18732 904 1 3 . 1 1 68 68 ILE CB C 68 39.314 39.314 41.867 -2.553 18732 905 1 3 . 1 1 69 69 SER N N 69 122.023 122.023 120.922 1.101 18732 906 1 3 . 1 1 69 69 SER HA H 69 5.804 5.804 5.391 0.413 18732 907 1 3 . 1 1 69 69 SER CA C 69 53.530 53.530 56.999 -3.469 18732 908 1 3 . 1 1 69 69 SER CB C 69 61.921 61.921 65.621 -3.700 18732 909 1 3 . 1 1 70 70 PHE N N 70 123.800 123.800 121.015 2.785 18732 910 1 3 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.501 -0.124 18732 911 1 3 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.760 -2.617 18732 912 1 3 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.411 -1.043 18732 913 1 3 . 1 1 71 71 ASP N N 71 121.547 121.547 119.628 1.919 18732 914 1 3 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.077 0.022 18732 915 1 3 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.981 -2.759 18732 916 1 3 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.438 -3.593 18732 917 1 3 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.534 -0.169 18732 918 1 3 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.359 -2.760 18732 919 1 3 . 1 1 72 72 PRO CB C 72 29.666 29.666 31.952 -2.286 18732 920 1 3 . 1 1 73 73 TYR N N 73 118.085 118.085 120.109 -2.024 18732 921 1 3 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.259 0.367 18732 922 1 3 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.702 -3.372 18732 923 1 3 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.492 -2.912 18732 924 1 3 . 1 1 74 74 SER N N 74 113.942 113.942 110.453 3.489 18732 925 1 3 . 1 1 74 74 SER HA H 74 4.506 4.506 4.652 -0.146 18732 926 1 3 . 1 1 74 74 SER CA C 74 56.253 56.253 57.999 -1.746 18732 927 1 3 . 1 1 74 74 SER CB C 74 62.670 62.670 64.082 -1.412 18732 928 1 3 . 1 1 75 75 GLN N N 75 115.717 115.717 119.188 -3.471 18732 929 1 3 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.549 -0.305 18732 930 1 3 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.000 -1.428 18732 931 1 3 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.678 -3.055 18732 932 1 3 . 1 1 76 76 LYS N N 76 119.205 119.205 120.236 -1.031 18732 933 1 3 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.286 0.158 18732 934 1 3 . 1 1 76 76 LYS CA C 76 54.013 54.013 56.527 -2.514 18732 935 1 3 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.036 -1.661 18732 936 1 3 . 1 1 77 77 VAL N N 77 125.587 125.587 125.744 -0.157 18732 937 1 3 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.035 -0.030 18732 938 1 3 . 1 1 77 77 VAL CA C 77 61.558 61.558 64.186 -2.628 18732 939 1 3 . 1 1 77 77 VAL CB C 77 30.401 30.401 32.073 -1.672 18732 940 1 3 . 1 1 78 78 ASN N N 78 126.604 126.604 127.353 -0.749 18732 941 1 3 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.963 -0.013 18732 942 1 3 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.256 -2.679 18732 943 1 3 . 1 1 78 78 ASN CB C 78 37.361 37.361 40.074 -2.713 18732 944 1 3 . 1 1 79 79 LYS N N 79 118.463 118.463 119.247 -0.784 18732 945 1 3 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.790 -0.172 18732 946 1 3 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.632 -2.060 18732 947 1 3 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.889 -3.360 18732 948 1 3 . 1 1 80 80 ILE N N 80 123.294 123.294 119.919 3.375 18732 949 1 3 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.291 -0.220 18732 950 1 3 . 1 1 80 80 ILE CA C 80 57.696 57.696 60.115 -2.419 18732 951 1 3 . 1 1 80 80 ILE CB C 80 38.260 38.260 42.152 -3.892 18732 952 1 3 . 1 1 81 81 ALA N N 81 130.466 130.466 127.069 3.397 18732 953 1 3 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.818 0.218 18732 954 1 3 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.123 -2.901 18732 955 1 3 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.171 -2.097 18732 956 1 3 . 1 1 82 82 ILE N N 82 122.249 122.249 118.905 3.344 18732 957 1 3 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.762 0.480 18732 958 1 3 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.438 -1.763 18732 959 1 3 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.647 -3.854 18732 960 1 3 . 1 1 83 83 LEU N N 83 129.605 129.605 124.004 5.601 18732 961 1 3 . 1 1 83 83 LEU HA H 83 4.954 4.954 5.013 -0.059 18732 962 1 3 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.745 -2.413 18732 963 1 3 . 1 1 83 83 LEU CB C 83 43.475 43.475 45.973 -2.498 18732 964 1 3 . 1 1 84 84 GLU N N 84 125.594 125.594 124.219 1.375 18732 965 1 3 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.757 -0.045 18732 966 1 3 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.056 -0.666 18732 967 1 3 . 1 1 84 84 GLU CB C 84 28.122 28.122 32.786 -4.665 18732 968 1 3 . 1 1 85 85 GLU N N 85 123.904 123.904 127.216 -3.312 18732 969 1 3 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.289 0.140 18732 970 1 3 . 1 1 85 85 GLU CA C 85 53.896 53.896 57.377 -3.482 18732 971 1 3 . 1 1 85 85 GLU CB C 85 28.642 28.642 30.771 -2.129 18732 972 1 3 . 1 1 86 86 TYR N N 86 123.323 123.323 119.188 4.135 18732 973 1 3 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.884 -0.163 18732 974 1 3 . 1 1 86 86 TYR CA C 86 53.909 53.909 56.251 -2.342 18732 975 1 3 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.694 -3.098 18732 976 1 4 . 1 1 2 2 GLU N N 2 120.598 120.598 120.834 -0.236 18732 977 1 4 . 1 1 2 2 GLU CA C 2 53.965 53.965 56.331 -2.366 18732 978 1 4 . 1 1 2 2 GLU CB C 2 27.978 27.978 30.424 -2.446 18732 979 1 4 . 1 1 3 3 GLU N N 3 120.984 120.984 118.317 2.667 18732 980 1 4 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.268 -0.070 18732 981 1 4 . 1 1 3 3 GLU CA C 3 60.035 60.035 56.490 3.545 18732 982 1 4 . 1 1 3 3 GLU CB C 3 30.268 30.268 31.262 -0.994 18732 983 1 4 . 1 1 4 4 THR N N 4 117.936 117.936 111.090 6.846 18732 984 1 4 . 1 1 4 4 THR HA H 4 4.665 4.665 4.691 -0.026 18732 985 1 4 . 1 1 4 4 THR CA C 4 57.307 57.307 60.147 -2.840 18732 986 1 4 . 1 1 4 4 THR CB C 4 67.215 67.215 70.220 -3.005 18732 987 1 4 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.121 -2.381 18732 988 1 4 . 1 1 5 5 PRO CB C 5 29.700 29.700 30.496 -0.796 18732 989 1 4 . 1 1 6 6 LEU N N 6 122.097 122.097 121.031 1.066 18732 990 1 4 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.821 -0.440 18732 991 1 4 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.273 -1.258 18732 992 1 4 . 1 1 6 6 LEU CB C 6 40.054 40.054 40.766 -0.712 18732 993 1 4 . 1 1 8 8 THR N N 8 116.987 116.987 114.239 2.748 18732 994 1 4 . 1 1 8 8 THR HA H 8 4.348 4.348 4.526 -0.178 18732 995 1 4 . 1 1 8 8 THR CA C 8 59.340 59.340 61.910 -2.570 18732 996 1 4 . 1 1 8 8 THR CB C 8 67.234 67.234 69.020 -1.786 18732 997 1 4 . 1 1 9 9 ALA N N 9 125.944 125.944 128.124 -2.180 18732 998 1 4 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.433 -0.059 18732 999 1 4 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.505 -2.496 18732 1000 1 4 . 1 1 9 9 ALA CB C 9 16.807 16.807 19.901 -3.094 18732 1001 1 4 . 1 1 10 10 ARG N N 10 119.637 119.637 121.392 -1.755 18732 1002 1 4 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.471 -0.148 18732 1003 1 4 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.462 -1.930 18732 1004 1 4 . 1 1 10 10 ARG CB C 10 28.492 28.492 30.983 -2.491 18732 1005 1 4 . 1 1 11 11 HIS N N 11 119.667 119.667 118.665 1.002 18732 1006 1 4 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.355 0.362 18732 1007 1 4 . 1 1 11 11 HIS CA C 11 52.790 52.790 55.428 -2.638 18732 1008 1 4 . 1 1 11 11 HIS CB C 11 27.033 27.033 28.986 -1.953 18732 1009 1 4 . 1 1 12 12 MET N N 12 122.280 122.280 121.305 0.975 18732 1010 1 4 . 1 1 12 12 MET HA H 12 4.543 4.543 4.584 -0.041 18732 1011 1 4 . 1 1 12 12 MET CA C 12 53.058 53.058 56.280 -3.222 18732 1012 1 4 . 1 1 12 12 MET CB C 12 29.647 29.647 33.346 -3.699 18732 1013 1 4 . 1 1 13 13 SER N N 13 118.363 118.363 114.577 3.786 18732 1014 1 4 . 1 1 13 13 SER HA H 13 4.515 4.515 4.794 -0.279 18732 1015 1 4 . 1 1 13 13 SER CA C 13 55.083 55.083 57.306 -2.223 18732 1016 1 4 . 1 1 13 13 SER CB C 13 62.243 62.243 65.246 -3.003 18732 1017 1 4 . 1 1 14 14 LYS N N 14 123.039 123.039 123.439 -0.400 18732 1018 1 4 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.967 -0.041 18732 1019 1 4 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.263 -2.383 18732 1020 1 4 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.837 -2.342 18732 1021 1 4 . 1 1 15 15 TRP N N 15 118.585 118.585 117.668 0.917 18732 1022 1 4 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.697 -0.318 18732 1023 1 4 . 1 1 15 15 TRP CA C 15 55.569 55.569 57.024 -1.455 18732 1024 1 4 . 1 1 15 15 TRP CB C 15 27.426 27.426 29.522 -2.096 18732 1025 1 4 . 1 1 16 16 GLU N N 16 119.418 119.418 120.647 -1.229 18732 1026 1 4 . 1 1 16 16 GLU HA H 16 2.976 2.976 2.976 -0.000 18732 1027 1 4 . 1 1 16 16 GLU CA C 16 56.540 56.540 59.753 -3.213 18732 1028 1 4 . 1 1 16 16 GLU CB C 16 27.787 27.787 28.568 -0.781 18732 1029 1 4 . 1 1 17 17 GLU N N 17 117.377 117.377 119.450 -2.073 18732 1030 1 4 . 1 1 17 17 GLU HA H 17 3.910 3.910 3.961 -0.051 18732 1031 1 4 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.570 -2.672 18732 1032 1 4 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.281 -2.428 18732 1033 1 4 . 1 1 18 18 ILE N N 18 119.807 119.807 119.175 0.632 18732 1034 1 4 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.683 -0.015 18732 1035 1 4 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.103 -2.358 18732 1036 1 4 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.591 -1.928 18732 1037 1 4 . 1 1 19 19 ALA N N 19 121.744 121.744 123.460 -1.716 18732 1038 1 4 . 1 1 19 19 ALA HA H 19 3.955 3.955 3.944 0.011 18732 1039 1 4 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.141 -1.698 18732 1040 1 4 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.076 -2.802 18732 1041 1 4 . 1 1 20 20 VAL N N 20 115.918 115.918 118.449 -2.531 18732 1042 1 4 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.435 -0.036 18732 1043 1 4 . 1 1 20 20 VAL CA C 20 64.329 64.329 67.025 -2.696 18732 1044 1 4 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.278 -1.874 18732 1045 1 4 . 1 1 21 21 LYS N N 21 119.785 119.785 119.319 0.466 18732 1046 1 4 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.837 0.084 18732 1047 1 4 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.366 -2.924 18732 1048 1 4 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.209 1.303 18732 1049 1 4 . 1 1 22 22 GLU N N 22 118.955 118.955 118.750 0.205 18732 1050 1 4 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.108 -0.039 18732 1051 1 4 . 1 1 22 22 GLU CA C 22 56.261 56.261 58.890 -2.629 18732 1052 1 4 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.180 -3.084 18732 1053 1 4 . 1 1 23 23 ALA N N 23 122.253 122.253 120.039 2.214 18732 1054 1 4 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.306 -0.205 18732 1055 1 4 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.058 -0.832 18732 1056 1 4 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.357 -2.848 18732 1057 1 4 . 1 1 24 24 LYS N N 24 116.889 116.889 116.564 0.325 18732 1058 1 4 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.376 -0.357 18732 1059 1 4 . 1 1 24 24 LYS CA C 24 55.745 55.745 57.650 -1.905 18732 1060 1 4 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.231 -4.046 18732 1061 1 4 . 1 1 25 25 LYS N N 25 117.772 117.772 121.114 -3.342 18732 1062 1 4 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.082 -0.059 18732 1063 1 4 . 1 1 25 25 LYS CA C 25 56.340 56.340 59.830 -3.490 18732 1064 1 4 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.710 -2.508 18732 1065 1 4 . 1 1 26 26 ARG N N 26 117.176 117.176 117.292 -0.116 18732 1066 1 4 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.168 -0.111 18732 1067 1 4 . 1 1 26 26 ARG CA C 26 53.991 53.991 56.487 -2.496 18732 1068 1 4 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.382 -2.348 18732 1069 1 4 . 1 1 27 27 TYR N N 27 117.344 117.344 118.248 -0.904 18732 1070 1 4 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.895 0.187 18732 1071 1 4 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.233 -2.675 18732 1072 1 4 . 1 1 27 27 TYR CB C 27 35.987 35.987 39.599 -3.612 18732 1073 1 4 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.332 0.417 18732 1074 1 4 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.515 -2.122 18732 1075 1 4 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.236 -2.381 18732 1076 1 4 . 1 1 29 29 LEU N N 29 117.758 117.758 119.013 -1.255 18732 1077 1 4 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.389 0.200 18732 1078 1 4 . 1 1 29 29 LEU CA C 29 51.574 51.574 55.023 -3.449 18732 1079 1 4 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.945 -3.055 18732 1080 1 4 . 1 1 30 30 ALA N N 30 122.493 122.493 120.120 2.373 18732 1081 1 4 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.491 0.360 18732 1082 1 4 . 1 1 30 30 ALA CA C 30 48.855 48.855 51.682 -2.827 18732 1083 1 4 . 1 1 30 30 ALA CB C 30 19.668 19.668 20.218 -0.550 18732 1084 1 4 . 1 1 31 31 GLN N N 31 118.936 118.936 117.251 1.685 18732 1085 1 4 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.762 -0.123 18732 1086 1 4 . 1 1 31 31 GLN CA C 31 51.271 51.271 53.410 -2.139 18732 1087 1 4 . 1 1 31 31 GLN CB C 31 28.843 28.843 31.963 -3.120 18732 1088 1 4 . 1 1 32 32 VAL N N 32 123.815 123.815 121.584 2.231 18732 1089 1 4 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.154 0.511 18732 1090 1 4 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.423 -1.158 18732 1091 1 4 . 1 1 32 32 VAL CB C 32 28.878 28.878 33.059 -4.181 18732 1092 1 4 . 1 1 33 33 LEU N N 33 128.709 128.709 124.289 4.420 18732 1093 1 4 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.800 -0.558 18732 1094 1 4 . 1 1 33 33 LEU CA C 33 53.383 53.383 53.846 -0.463 18732 1095 1 4 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.410 -1.287 18732 1096 1 4 . 1 1 34 34 PHE N N 34 114.779 114.779 119.462 -4.683 18732 1097 1 4 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.798 -0.892 18732 1098 1 4 . 1 1 34 34 PHE CA C 34 53.915 53.915 56.945 -3.030 18732 1099 1 4 . 1 1 34 34 PHE CB C 34 40.653 40.653 42.905 -2.252 18732 1100 1 4 . 1 1 35 35 LYS N N 35 120.077 120.077 120.334 -0.257 18732 1101 1 4 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.693 0.545 18732 1102 1 4 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.891 -3.594 18732 1103 1 4 . 1 1 35 35 LYS CB C 35 32.998 32.998 34.879 -1.881 18732 1104 1 4 . 1 1 36 36 GLN N N 36 119.491 119.491 121.737 -2.246 18732 1105 1 4 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.852 0.384 18732 1106 1 4 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.801 -2.604 18732 1107 1 4 . 1 1 36 36 GLN CB C 36 30.609 30.609 34.036 -3.427 18732 1108 1 4 . 1 1 37 37 LYS N N 37 128.471 128.471 121.473 6.998 18732 1109 1 4 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.641 0.154 18732 1110 1 4 . 1 1 37 37 LYS CA C 37 54.661 54.661 55.737 -1.076 18732 1111 1 4 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.839 -2.566 18732 1112 1 4 . 1 1 38 38 VAL N N 38 125.112 125.112 120.560 4.552 18732 1113 1 4 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.484 -0.147 18732 1114 1 4 . 1 1 38 38 VAL CA C 38 60.252 60.252 62.481 -2.229 18732 1115 1 4 . 1 1 38 38 VAL CB C 38 30.720 30.720 31.830 -1.110 18732 1116 1 4 . 1 1 39 39 TRP N N 39 123.085 123.085 122.802 0.283 18732 1117 1 4 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.708 0.141 18732 1118 1 4 . 1 1 39 39 TRP CA C 39 54.206 54.206 57.598 -3.392 18732 1119 1 4 . 1 1 39 39 TRP CB C 39 30.461 30.461 32.028 -1.567 18732 1120 1 4 . 1 1 40 40 ASP N N 40 123.000 123.000 120.928 2.072 18732 1121 1 4 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.694 0.434 18732 1122 1 4 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.750 -2.645 18732 1123 1 4 . 1 1 40 40 ASP CB C 40 41.077 41.077 41.314 -0.237 18732 1124 1 4 . 1 1 41 41 ARG N N 41 123.259 123.259 119.791 3.468 18732 1125 1 4 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.112 0.436 18732 1126 1 4 . 1 1 41 41 ARG CA C 41 52.623 52.623 56.083 -3.460 18732 1127 1 4 . 1 1 41 41 ARG CB C 41 31.417 31.417 30.948 0.469 18732 1128 1 4 . 1 1 42 42 LYS N N 42 124.798 124.798 119.356 5.442 18732 1129 1 4 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.772 -0.084 18732 1130 1 4 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.714 -0.941 18732 1131 1 4 . 1 1 42 42 LYS CB C 42 31.787 31.787 34.550 -2.763 18732 1132 1 4 . 1 1 43 43 ARG N N 43 124.461 124.461 120.302 4.159 18732 1133 1 4 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.613 0.036 18732 1134 1 4 . 1 1 43 43 ARG CA C 43 52.179 52.179 55.374 -3.195 18732 1135 1 4 . 1 1 43 43 ARG CB C 43 30.149 30.149 30.444 -0.295 18732 1136 1 4 . 1 1 44 44 LYS N N 44 121.297 121.297 119.942 1.355 18732 1137 1 4 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.201 -0.178 18732 1138 1 4 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.749 -2.114 18732 1139 1 4 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.557 -2.445 18732 1140 1 4 . 1 1 45 45 ASP N N 45 115.145 115.145 116.287 -1.142 18732 1141 1 4 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.863 -0.113 18732 1142 1 4 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.862 -2.762 18732 1143 1 4 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.690 -2.997 18732 1144 1 4 . 1 1 46 46 GLU N N 46 118.274 118.274 117.104 1.170 18732 1145 1 4 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.519 -0.052 18732 1146 1 4 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.286 -1.564 18732 1147 1 4 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.663 -3.594 18732 1148 1 4 . 1 1 47 47 ALA N N 47 127.506 127.506 123.029 4.477 18732 1149 1 4 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.540 0.154 18732 1150 1 4 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.692 -2.584 18732 1151 1 4 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.124 -3.282 18732 1152 1 4 . 1 1 48 48 VAL N N 48 118.088 118.088 120.564 -2.476 18732 1153 1 4 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.957 0.388 18732 1154 1 4 . 1 1 48 48 VAL CA C 48 57.625 57.625 61.195 -3.570 18732 1155 1 4 . 1 1 48 48 VAL CB C 48 33.496 33.496 36.215 -2.719 18732 1156 1 4 . 1 1 49 49 LYS N N 49 124.725 124.725 126.670 -1.945 18732 1157 1 4 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.804 0.553 18732 1158 1 4 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.185 -3.146 18732 1159 1 4 . 1 1 50 50 GLN N N 50 121.028 121.028 121.488 -0.460 18732 1160 1 4 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.728 0.258 18732 1161 1 4 . 1 1 50 50 GLN CA C 50 52.113 52.113 56.077 -3.964 18732 1162 1 4 . 1 1 50 50 GLN CB C 50 23.684 23.684 29.845 -6.161 18732 1163 1 4 . 1 1 51 51 TYR N N 51 124.549 124.549 120.281 4.268 18732 1164 1 4 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.772 0.446 18732 1165 1 4 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.346 -2.796 18732 1166 1 4 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.075 -1.795 18732 1167 1 4 . 1 1 52 52 HIS N N 52 121.301 121.301 119.886 1.415 18732 1168 1 4 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.045 0.174 18732 1169 1 4 . 1 1 52 52 HIS CA C 52 51.708 51.708 54.581 -2.873 18732 1170 1 4 . 1 1 52 52 HIS CB C 52 28.907 28.907 31.821 -2.914 18732 1171 1 4 . 1 1 53 53 LEU N N 53 127.743 127.743 127.627 0.116 18732 1172 1 4 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.619 0.589 18732 1173 1 4 . 1 1 53 53 LEU CA C 53 50.887 50.887 52.731 -1.844 18732 1174 1 4 . 1 1 53 53 LEU CB C 53 42.084 42.084 43.867 -1.783 18732 1175 1 4 . 1 1 54 54 THR N N 54 117.996 117.996 115.735 2.261 18732 1176 1 4 . 1 1 54 54 THR HA H 54 4.600 4.600 4.382 0.218 18732 1177 1 4 . 1 1 54 54 THR CA C 54 59.774 59.774 61.951 -2.177 18732 1178 1 4 . 1 1 54 54 THR CB C 54 67.153 67.153 70.014 -2.861 18732 1179 1 4 . 1 1 55 55 LEU N N 55 129.329 129.329 126.372 2.957 18732 1180 1 4 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.893 0.181 18732 1181 1 4 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.804 -3.035 18732 1182 1 4 . 1 1 55 55 LEU CB C 55 42.090 42.090 43.671 -1.581 18732 1183 1 4 . 1 1 56 56 ARG N N 56 117.231 117.231 119.996 -2.765 18732 1184 1 4 . 1 1 56 56 ARG HA H 56 5.357 5.357 5.034 0.323 18732 1185 1 4 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.539 -2.664 18732 1186 1 4 . 1 1 56 56 ARG CB C 56 31.945 31.945 34.134 -2.189 18732 1187 1 4 . 1 1 57 57 GLU N N 57 128.411 128.411 126.767 1.644 18732 1188 1 4 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.825 -0.134 18732 1189 1 4 . 1 1 57 57 GLU CA C 57 52.864 52.864 54.961 -2.096 18732 1190 1 4 . 1 1 57 57 GLU CB C 57 29.942 29.942 32.352 -2.409 18732 1191 1 4 . 1 1 58 58 GLY N N 58 118.265 118.265 116.802 1.463 18732 1192 1 4 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.179 -2.236 18732 1193 1 4 . 1 1 59 59 SER N N 59 122.061 122.061 119.507 2.554 18732 1194 1 4 . 1 1 59 59 SER HA H 59 4.567 4.567 4.662 -0.095 18732 1195 1 4 . 1 1 59 59 SER CA C 59 55.730 55.730 57.661 -1.931 18732 1196 1 4 . 1 1 59 59 SER CB C 59 61.262 61.262 63.870 -2.608 18732 1197 1 4 . 1 1 60 60 LYS N N 60 124.154 124.154 123.301 0.853 18732 1198 1 4 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.630 -0.010 18732 1199 1 4 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.753 -2.309 18732 1200 1 4 . 1 1 60 60 LYS CB C 60 32.144 32.144 35.169 -3.025 18732 1201 1 4 . 1 1 61 61 GLU N N 61 125.701 125.701 124.204 1.497 18732 1202 1 4 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.303 0.211 18732 1203 1 4 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.127 -3.021 18732 1204 1 4 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.453 -2.913 18732 1205 1 4 . 1 1 62 62 PHE N N 62 121.360 121.360 118.625 2.735 18732 1206 1 4 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.967 0.079 18732 1207 1 4 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.804 -2.442 18732 1208 1 4 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.325 -3.526 18732 1209 1 4 . 1 1 63 63 GLY N N 63 107.546 107.546 109.492 -1.946 18732 1210 1 4 . 1 1 63 63 GLY CA C 63 41.632 41.632 44.269 -2.637 18732 1211 1 4 . 1 1 64 64 VAL N N 64 115.031 115.031 117.159 -2.128 18732 1212 1 4 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.526 0.494 18732 1213 1 4 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.489 -2.459 18732 1214 1 4 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.226 -1.074 18732 1215 1 4 . 1 1 65 65 PHE N N 65 122.208 122.208 120.323 1.885 18732 1216 1 4 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.061 0.571 18732 1217 1 4 . 1 1 65 65 PHE CA C 65 54.000 54.000 55.971 -1.970 18732 1218 1 4 . 1 1 65 65 PHE CB C 65 39.295 39.295 42.465 -3.170 18732 1219 1 4 . 1 1 66 66 VAL N N 66 123.832 123.832 119.733 4.099 18732 1220 1 4 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.478 0.679 18732 1221 1 4 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.632 -2.998 18732 1222 1 4 . 1 1 66 66 VAL CB C 66 32.312 32.312 34.484 -2.172 18732 1223 1 4 . 1 1 67 67 THR N N 67 125.293 125.293 124.387 0.906 18732 1224 1 4 . 1 1 67 67 THR CA C 67 57.150 57.150 61.739 -4.589 18732 1225 1 4 . 1 1 67 67 THR CB C 67 67.050 67.050 68.081 -1.031 18732 1226 1 4 . 1 1 68 68 ILE N N 68 128.624 128.624 127.836 0.788 18732 1227 1 4 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.264 0.599 18732 1228 1 4 . 1 1 68 68 ILE CA C 68 58.233 58.233 61.155 -2.922 18732 1229 1 4 . 1 1 68 68 ILE CB C 68 39.314 39.314 38.348 0.966 18732 1230 1 4 . 1 1 69 69 SER N N 69 122.023 122.023 123.168 -1.145 18732 1231 1 4 . 1 1 69 69 SER HA H 69 5.804 5.804 5.264 0.540 18732 1232 1 4 . 1 1 69 69 SER CA C 69 53.530 53.530 58.129 -4.599 18732 1233 1 4 . 1 1 69 69 SER CB C 69 61.921 61.921 64.836 -2.915 18732 1234 1 4 . 1 1 70 70 PHE N N 70 123.800 123.800 121.780 2.020 18732 1235 1 4 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.486 -0.109 18732 1236 1 4 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.709 -2.566 18732 1237 1 4 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.463 -1.095 18732 1238 1 4 . 1 1 71 71 ASP N N 71 121.547 121.547 118.891 2.656 18732 1239 1 4 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.118 -0.019 18732 1240 1 4 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.777 -2.555 18732 1241 1 4 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.897 -4.052 18732 1242 1 4 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.604 -0.239 18732 1243 1 4 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.128 -2.529 18732 1244 1 4 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.115 -2.449 18732 1245 1 4 . 1 1 73 73 TYR N N 73 118.085 118.085 120.819 -2.734 18732 1246 1 4 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.271 0.355 18732 1247 1 4 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.438 -3.108 18732 1248 1 4 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.339 -2.759 18732 1249 1 4 . 1 1 74 74 SER N N 74 113.942 113.942 111.935 2.007 18732 1250 1 4 . 1 1 74 74 SER HA H 74 4.506 4.506 4.630 -0.124 18732 1251 1 4 . 1 1 74 74 SER CA C 74 56.253 56.253 58.387 -2.134 18732 1252 1 4 . 1 1 74 74 SER CB C 74 62.670 62.670 63.598 -0.928 18732 1253 1 4 . 1 1 75 75 GLN N N 75 115.717 115.717 117.576 -1.859 18732 1254 1 4 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.462 -0.218 18732 1255 1 4 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.446 -1.874 18732 1256 1 4 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.699 -3.076 18732 1257 1 4 . 1 1 76 76 LYS N N 76 119.205 119.205 120.143 -0.938 18732 1258 1 4 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.330 0.114 18732 1259 1 4 . 1 1 76 76 LYS CA C 76 54.013 54.013 56.462 -2.449 18732 1260 1 4 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.228 -1.853 18732 1261 1 4 . 1 1 77 77 VAL N N 77 125.587 125.587 126.032 -0.445 18732 1262 1 4 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.072 -0.068 18732 1263 1 4 . 1 1 77 77 VAL CA C 77 61.558 61.558 63.690 -2.132 18732 1264 1 4 . 1 1 77 77 VAL CB C 77 30.401 30.401 32.220 -1.819 18732 1265 1 4 . 1 1 78 78 ASN N N 78 126.604 126.604 127.545 -0.941 18732 1266 1 4 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.910 0.040 18732 1267 1 4 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.115 -2.538 18732 1268 1 4 . 1 1 78 78 ASN CB C 78 37.361 37.361 40.033 -2.672 18732 1269 1 4 . 1 1 79 79 LYS N N 79 118.463 118.463 118.701 -0.238 18732 1270 1 4 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.740 -0.122 18732 1271 1 4 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.683 -2.111 18732 1272 1 4 . 1 1 79 79 LYS CB C 79 33.529 33.529 37.094 -3.565 18732 1273 1 4 . 1 1 80 80 ILE N N 80 123.294 123.294 120.227 3.067 18732 1274 1 4 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.172 -0.101 18732 1275 1 4 . 1 1 80 80 ILE CA C 80 57.696 57.696 60.150 -2.454 18732 1276 1 4 . 1 1 80 80 ILE CB C 80 38.260 38.260 41.504 -3.244 18732 1277 1 4 . 1 1 81 81 ALA N N 81 130.466 130.466 129.499 0.967 18732 1278 1 4 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.901 0.135 18732 1279 1 4 . 1 1 81 81 ALA CA C 81 48.222 48.222 50.802 -2.580 18732 1280 1 4 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.399 -2.325 18732 1281 1 4 . 1 1 82 82 ILE N N 82 122.249 122.249 118.601 3.648 18732 1282 1 4 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.812 0.430 18732 1283 1 4 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.925 -2.250 18732 1284 1 4 . 1 1 82 82 ILE CB C 82 37.792 37.792 42.072 -4.280 18732 1285 1 4 . 1 1 83 83 LEU N N 83 129.605 129.605 125.279 4.326 18732 1286 1 4 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.901 0.053 18732 1287 1 4 . 1 1 83 83 LEU CA C 83 51.332 51.332 54.618 -3.286 18732 1288 1 4 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.632 -3.157 18732 1289 1 4 . 1 1 84 84 GLU N N 84 125.594 125.594 123.225 2.369 18732 1290 1 4 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.734 -0.022 18732 1291 1 4 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.274 -0.884 18732 1292 1 4 . 1 1 84 84 GLU CB C 84 28.122 28.122 32.664 -4.542 18732 1293 1 4 . 1 1 85 85 GLU N N 85 123.904 123.904 126.658 -2.754 18732 1294 1 4 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.421 0.008 18732 1295 1 4 . 1 1 85 85 GLU CA C 85 53.896 53.896 57.019 -3.123 18732 1296 1 4 . 1 1 85 85 GLU CB C 85 28.642 28.642 31.014 -2.372 18732 1297 1 4 . 1 1 86 86 TYR N N 86 123.323 123.323 119.235 4.088 18732 1298 1 4 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.938 -0.217 18732 1299 1 4 . 1 1 86 86 TYR CA C 86 53.909 53.909 56.533 -2.624 18732 1300 1 4 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.386 -2.791 18732 1301 1 5 . 1 1 2 2 GLU N N 2 120.598 120.598 120.597 0.001 18732 1302 1 5 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.804 -1.839 18732 1303 1 5 . 1 1 2 2 GLU CB C 2 27.978 27.978 30.739 -2.761 18732 1304 1 5 . 1 1 3 3 GLU N N 3 120.984 120.984 119.355 1.629 18732 1305 1 5 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.281 -0.083 18732 1306 1 5 . 1 1 3 3 GLU CA C 3 60.035 60.035 56.678 3.357 18732 1307 1 5 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.840 -0.572 18732 1308 1 5 . 1 1 4 4 THR N N 4 117.936 117.936 109.496 8.440 18732 1309 1 5 . 1 1 4 4 THR HA H 4 4.665 4.665 4.460 0.205 18732 1310 1 5 . 1 1 4 4 THR CA C 4 57.307 57.307 59.425 -2.118 18732 1311 1 5 . 1 1 4 4 THR CB C 4 67.215 67.215 70.044 -2.829 18732 1312 1 5 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.303 -2.563 18732 1313 1 5 . 1 1 5 5 PRO CB C 5 29.700 29.700 29.259 0.441 18732 1314 1 5 . 1 1 6 6 LEU N N 6 122.097 122.097 120.186 1.911 18732 1315 1 5 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.736 -0.355 18732 1316 1 5 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.681 -1.667 18732 1317 1 5 . 1 1 6 6 LEU CB C 6 40.054 40.054 41.659 -1.605 18732 1318 1 5 . 1 1 8 8 THR N N 8 116.987 116.987 111.294 5.693 18732 1319 1 5 . 1 1 8 8 THR HA H 8 4.348 4.348 4.342 0.006 18732 1320 1 5 . 1 1 8 8 THR CA C 8 59.340 59.340 61.258 -1.917 18732 1321 1 5 . 1 1 8 8 THR CB C 8 67.234 67.234 70.839 -3.605 18732 1322 1 5 . 1 1 9 9 ALA N N 9 125.944 125.944 124.453 1.491 18732 1323 1 5 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.446 -0.072 18732 1324 1 5 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.658 -2.649 18732 1325 1 5 . 1 1 9 9 ALA CB C 9 16.807 16.807 18.910 -2.103 18732 1326 1 5 . 1 1 10 10 ARG N N 10 119.637 119.637 122.684 -3.047 18732 1327 1 5 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.370 -0.047 18732 1328 1 5 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.114 -1.582 18732 1329 1 5 . 1 1 10 10 ARG CB C 10 28.492 28.492 32.811 -4.319 18732 1330 1 5 . 1 1 11 11 HIS N N 11 119.667 119.667 121.575 -1.908 18732 1331 1 5 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.493 0.224 18732 1332 1 5 . 1 1 11 11 HIS CA C 11 52.790 52.790 56.792 -4.002 18732 1333 1 5 . 1 1 11 11 HIS CB C 11 27.033 27.033 30.564 -3.530 18732 1334 1 5 . 1 1 12 12 MET N N 12 122.280 122.280 119.223 3.057 18732 1335 1 5 . 1 1 12 12 MET HA H 12 4.543 4.543 4.774 -0.231 18732 1336 1 5 . 1 1 12 12 MET CA C 12 53.058 53.058 54.694 -1.637 18732 1337 1 5 . 1 1 12 12 MET CB C 12 29.647 29.647 35.930 -6.283 18732 1338 1 5 . 1 1 13 13 SER N N 13 118.363 118.363 115.888 2.475 18732 1339 1 5 . 1 1 13 13 SER HA H 13 4.515 4.515 4.835 -0.320 18732 1340 1 5 . 1 1 13 13 SER CA C 13 55.083 55.083 56.990 -1.907 18732 1341 1 5 . 1 1 13 13 SER CB C 13 62.243 62.243 65.329 -3.086 18732 1342 1 5 . 1 1 14 14 LYS N N 14 123.039 123.039 126.122 -3.083 18732 1343 1 5 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.840 0.086 18732 1344 1 5 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.505 -2.625 18732 1345 1 5 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.855 -2.361 18732 1346 1 5 . 1 1 15 15 TRP N N 15 118.585 118.585 117.238 1.347 18732 1347 1 5 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.617 -0.238 18732 1348 1 5 . 1 1 15 15 TRP CA C 15 55.569 55.569 57.013 -1.444 18732 1349 1 5 . 1 1 15 15 TRP CB C 15 27.426 27.426 28.559 -1.133 18732 1350 1 5 . 1 1 16 16 GLU N N 16 119.418 119.418 120.774 -1.356 18732 1351 1 5 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.664 -0.688 18732 1352 1 5 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.056 -3.516 18732 1353 1 5 . 1 1 16 16 GLU CB C 16 27.787 27.787 28.399 -0.612 18732 1354 1 5 . 1 1 17 17 GLU N N 17 117.377 117.377 119.419 -2.042 18732 1355 1 5 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.088 -0.178 18732 1356 1 5 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.066 -2.168 18732 1357 1 5 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.308 -2.455 18732 1358 1 5 . 1 1 18 18 ILE N N 18 119.807 119.807 120.367 -0.560 18732 1359 1 5 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.764 -0.096 18732 1360 1 5 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.254 -2.509 18732 1361 1 5 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.713 -2.050 18732 1362 1 5 . 1 1 19 19 ALA N N 19 121.744 121.744 122.998 -1.254 18732 1363 1 5 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.062 -0.107 18732 1364 1 5 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.540 -2.097 18732 1365 1 5 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.292 -3.018 18732 1366 1 5 . 1 1 20 20 VAL N N 20 115.918 115.918 117.885 -1.967 18732 1367 1 5 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.430 -0.031 18732 1368 1 5 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.525 -2.196 18732 1369 1 5 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.634 -2.230 18732 1370 1 5 . 1 1 21 21 LYS N N 21 119.785 119.785 119.148 0.637 18732 1371 1 5 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.989 -0.068 18732 1372 1 5 . 1 1 21 21 LYS CA C 21 57.442 57.442 59.937 -2.495 18732 1373 1 5 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.258 1.254 18732 1374 1 5 . 1 1 22 22 GLU N N 22 118.955 118.955 119.760 -0.805 18732 1375 1 5 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.119 -0.050 18732 1376 1 5 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.582 -3.321 18732 1377 1 5 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.686 -3.590 18732 1378 1 5 . 1 1 23 23 ALA N N 23 122.253 122.253 119.105 3.148 18732 1379 1 5 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.381 -0.280 18732 1380 1 5 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.086 -0.860 18732 1381 1 5 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.454 -2.945 18732 1382 1 5 . 1 1 24 24 LYS N N 24 116.889 116.889 115.151 1.738 18732 1383 1 5 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.486 -0.467 18732 1384 1 5 . 1 1 24 24 LYS CA C 24 55.745 55.745 57.740 -1.995 18732 1385 1 5 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.558 -4.373 18732 1386 1 5 . 1 1 25 25 LYS N N 25 117.772 117.772 121.723 -3.951 18732 1387 1 5 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.159 -0.136 18732 1388 1 5 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.782 -2.442 18732 1389 1 5 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.077 -1.875 18732 1390 1 5 . 1 1 26 26 ARG N N 26 117.176 117.176 118.815 -1.639 18732 1391 1 5 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.006 0.051 18732 1392 1 5 . 1 1 26 26 ARG CA C 26 53.991 53.991 56.831 -2.840 18732 1393 1 5 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.369 -2.335 18732 1394 1 5 . 1 1 27 27 TYR N N 27 117.344 117.344 117.963 -0.619 18732 1395 1 5 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.867 0.215 18732 1396 1 5 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.191 -2.633 18732 1397 1 5 . 1 1 27 27 TYR CB C 27 35.987 35.987 39.053 -3.066 18732 1398 1 5 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.513 0.236 18732 1399 1 5 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.347 -1.954 18732 1400 1 5 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.212 -2.357 18732 1401 1 5 . 1 1 29 29 LEU N N 29 117.758 117.758 118.500 -0.742 18732 1402 1 5 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.490 0.099 18732 1403 1 5 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.682 -3.108 18732 1404 1 5 . 1 1 29 29 LEU CB C 29 38.890 38.890 42.627 -3.737 18732 1405 1 5 . 1 1 30 30 ALA N N 30 122.493 122.493 118.639 3.854 18732 1406 1 5 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.972 -0.121 18732 1407 1 5 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.794 -1.939 18732 1408 1 5 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.226 -2.558 18732 1409 1 5 . 1 1 31 31 GLN N N 31 118.936 118.936 117.175 1.761 18732 1410 1 5 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.676 -0.037 18732 1411 1 5 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.213 -2.942 18732 1412 1 5 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.666 -3.823 18732 1413 1 5 . 1 1 32 32 VAL N N 32 123.815 123.815 121.650 2.165 18732 1414 1 5 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.233 0.432 18732 1415 1 5 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.169 -0.904 18732 1416 1 5 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.902 -4.024 18732 1417 1 5 . 1 1 33 33 LEU N N 33 128.709 128.709 124.700 4.009 18732 1418 1 5 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.752 -0.510 18732 1419 1 5 . 1 1 33 33 LEU CA C 33 53.383 53.383 53.784 -0.401 18732 1420 1 5 . 1 1 33 33 LEU CB C 33 41.123 41.123 41.699 -0.576 18732 1421 1 5 . 1 1 34 34 PHE N N 34 114.779 114.779 119.021 -4.242 18732 1422 1 5 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.738 -0.832 18732 1423 1 5 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.375 -3.460 18732 1424 1 5 . 1 1 34 34 PHE CB C 34 40.653 40.653 42.897 -2.244 18732 1425 1 5 . 1 1 35 35 LYS N N 35 120.077 120.077 124.102 -4.025 18732 1426 1 5 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.603 0.635 18732 1427 1 5 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.956 -3.659 18732 1428 1 5 . 1 1 35 35 LYS CB C 35 32.998 32.998 34.293 -1.295 18732 1429 1 5 . 1 1 36 36 GLN N N 36 119.491 119.491 124.566 -5.075 18732 1430 1 5 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.779 0.457 18732 1431 1 5 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.591 -2.394 18732 1432 1 5 . 1 1 36 36 GLN CB C 36 30.609 30.609 33.356 -2.747 18732 1433 1 5 . 1 1 37 37 LYS N N 37 128.471 128.471 122.353 6.118 18732 1434 1 5 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.317 0.478 18732 1435 1 5 . 1 1 37 37 LYS CA C 37 54.661 54.661 57.275 -2.614 18732 1436 1 5 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.400 -2.127 18732 1437 1 5 . 1 1 38 38 VAL N N 38 125.112 125.112 115.216 9.896 18732 1438 1 5 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.538 -0.201 18732 1439 1 5 . 1 1 38 38 VAL CA C 38 60.252 60.252 60.644 -0.392 18732 1440 1 5 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.968 -3.248 18732 1441 1 5 . 1 1 39 39 TRP N N 39 123.085 123.085 123.783 -0.698 18732 1442 1 5 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.682 0.167 18732 1443 1 5 . 1 1 39 39 TRP CA C 39 54.206 54.206 58.097 -3.891 18732 1444 1 5 . 1 1 39 39 TRP CB C 39 30.461 30.461 29.848 0.613 18732 1445 1 5 . 1 1 40 40 ASP N N 40 123.000 123.000 127.233 -4.233 18732 1446 1 5 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.915 0.213 18732 1447 1 5 . 1 1 40 40 ASP CA C 40 51.105 51.105 52.463 -1.358 18732 1448 1 5 . 1 1 40 40 ASP CB C 40 41.077 41.077 40.875 0.202 18732 1449 1 5 . 1 1 41 41 ARG N N 41 123.259 123.259 120.225 3.034 18732 1450 1 5 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.592 -0.044 18732 1451 1 5 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.892 -2.269 18732 1452 1 5 . 1 1 41 41 ARG CB C 41 31.417 31.417 32.453 -1.036 18732 1453 1 5 . 1 1 42 42 LYS N N 42 124.798 124.798 117.878 6.920 18732 1454 1 5 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.465 0.223 18732 1455 1 5 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.676 -0.903 18732 1456 1 5 . 1 1 42 42 LYS CB C 42 31.787 31.787 34.257 -2.470 18732 1457 1 5 . 1 1 43 43 ARG N N 43 124.461 124.461 119.932 4.529 18732 1458 1 5 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.574 0.075 18732 1459 1 5 . 1 1 43 43 ARG CA C 43 52.179 52.179 55.035 -2.856 18732 1460 1 5 . 1 1 43 43 ARG CB C 43 30.149 30.149 30.726 -0.577 18732 1461 1 5 . 1 1 44 44 LYS N N 44 121.297 121.297 120.556 0.741 18732 1462 1 5 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.129 -0.106 18732 1463 1 5 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.776 -2.140 18732 1464 1 5 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.421 -2.309 18732 1465 1 5 . 1 1 45 45 ASP N N 45 115.145 115.145 116.252 -1.107 18732 1466 1 5 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.862 -0.112 18732 1467 1 5 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.695 -2.595 18732 1468 1 5 . 1 1 45 45 ASP CB C 45 38.693 38.693 42.249 -3.556 18732 1469 1 5 . 1 1 46 46 GLU N N 46 118.274 118.274 118.120 0.154 18732 1470 1 5 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.559 -0.092 18732 1471 1 5 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.339 -1.617 18732 1472 1 5 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.865 -3.795 18732 1473 1 5 . 1 1 47 47 ALA N N 47 127.506 127.506 123.148 4.358 18732 1474 1 5 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.473 0.221 18732 1475 1 5 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.563 -2.455 18732 1476 1 5 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.246 -3.404 18732 1477 1 5 . 1 1 48 48 VAL N N 48 118.088 118.088 117.229 0.859 18732 1478 1 5 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.846 0.499 18732 1479 1 5 . 1 1 48 48 VAL CA C 48 57.625 57.625 60.669 -3.044 18732 1480 1 5 . 1 1 48 48 VAL CB C 48 33.496 33.496 32.703 0.793 18732 1481 1 5 . 1 1 49 49 LYS N N 49 124.725 124.725 124.035 0.690 18732 1482 1 5 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.692 0.665 18732 1483 1 5 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.232 -3.193 18732 1484 1 5 . 1 1 50 50 GLN N N 50 121.028 121.028 122.193 -1.165 18732 1485 1 5 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.623 0.363 18732 1486 1 5 . 1 1 50 50 GLN CA C 50 52.113 52.113 54.463 -2.350 18732 1487 1 5 . 1 1 50 50 GLN CB C 50 23.684 23.684 30.300 -6.616 18732 1488 1 5 . 1 1 51 51 TYR N N 51 124.549 124.549 116.169 8.380 18732 1489 1 5 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.889 0.329 18732 1490 1 5 . 1 1 51 51 TYR CA C 51 54.550 54.550 56.925 -2.375 18732 1491 1 5 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.411 -2.131 18732 1492 1 5 . 1 1 52 52 HIS N N 52 121.301 121.301 121.350 -0.049 18732 1493 1 5 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.378 -0.159 18732 1494 1 5 . 1 1 52 52 HIS CA C 52 51.708 51.708 54.046 -2.338 18732 1495 1 5 . 1 1 52 52 HIS CB C 52 28.907 28.907 32.525 -3.618 18732 1496 1 5 . 1 1 53 53 LEU N N 53 127.743 127.743 126.617 1.126 18732 1497 1 5 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.629 0.579 18732 1498 1 5 . 1 1 53 53 LEU CA C 53 50.887 50.887 52.656 -1.769 18732 1499 1 5 . 1 1 53 53 LEU CB C 53 42.084 42.084 45.153 -3.069 18732 1500 1 5 . 1 1 54 54 THR N N 54 117.996 117.996 117.387 0.609 18732 1501 1 5 . 1 1 54 54 THR HA H 54 4.600 4.600 4.399 0.201 18732 1502 1 5 . 1 1 54 54 THR CA C 54 59.774 59.774 61.908 -2.134 18732 1503 1 5 . 1 1 54 54 THR CB C 54 67.153 67.153 69.671 -2.518 18732 1504 1 5 . 1 1 55 55 LEU N N 55 129.329 129.329 125.560 3.769 18732 1505 1 5 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.783 0.291 18732 1506 1 5 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.192 -2.423 18732 1507 1 5 . 1 1 55 55 LEU CB C 55 42.090 42.090 42.531 -0.441 18732 1508 1 5 . 1 1 56 56 ARG N N 56 117.231 117.231 119.447 -2.216 18732 1509 1 5 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.785 0.572 18732 1510 1 5 . 1 1 56 56 ARG CA C 56 51.875 51.875 55.367 -3.492 18732 1511 1 5 . 1 1 56 56 ARG CB C 56 31.945 31.945 33.741 -1.796 18732 1512 1 5 . 1 1 57 57 GLU N N 57 128.411 128.411 128.315 0.096 18732 1513 1 5 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.860 -0.169 18732 1514 1 5 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.117 -2.253 18732 1515 1 5 . 1 1 57 57 GLU CB C 57 29.942 29.942 32.285 -2.343 18732 1516 1 5 . 1 1 58 58 GLY N N 58 118.265 118.265 117.006 1.259 18732 1517 1 5 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.116 -2.173 18732 1518 1 5 . 1 1 59 59 SER N N 59 122.061 122.061 119.611 2.450 18732 1519 1 5 . 1 1 59 59 SER HA H 59 4.567 4.567 4.646 -0.079 18732 1520 1 5 . 1 1 59 59 SER CA C 59 55.730 55.730 58.182 -2.452 18732 1521 1 5 . 1 1 59 59 SER CB C 59 61.262 61.262 64.089 -2.827 18732 1522 1 5 . 1 1 60 60 LYS N N 60 124.154 124.154 123.772 0.382 18732 1523 1 5 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.506 0.114 18732 1524 1 5 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.835 -2.391 18732 1525 1 5 . 1 1 60 60 LYS CB C 60 32.144 32.144 34.333 -2.189 18732 1526 1 5 . 1 1 61 61 GLU N N 61 125.701 125.701 122.662 3.039 18732 1527 1 5 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.229 0.285 18732 1528 1 5 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.127 -3.021 18732 1529 1 5 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.816 -3.276 18732 1530 1 5 . 1 1 62 62 PHE N N 62 121.360 121.360 118.645 2.715 18732 1531 1 5 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.940 0.106 18732 1532 1 5 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.790 -2.427 18732 1533 1 5 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.742 -3.943 18732 1534 1 5 . 1 1 63 63 GLY N N 63 107.546 107.546 108.029 -0.483 18732 1535 1 5 . 1 1 63 63 GLY CA C 63 41.632 41.632 44.202 -2.570 18732 1536 1 5 . 1 1 64 64 VAL N N 64 115.031 115.031 117.239 -2.208 18732 1537 1 5 . 1 1 64 64 VAL HA H 64 5.020 5.020 5.017 0.003 18732 1538 1 5 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.751 -2.720 18732 1539 1 5 . 1 1 64 64 VAL CB C 64 34.152 34.152 34.062 0.090 18732 1540 1 5 . 1 1 65 65 PHE N N 65 122.208 122.208 127.547 -5.339 18732 1541 1 5 . 1 1 65 65 PHE HA H 65 5.632 5.632 4.839 0.793 18732 1542 1 5 . 1 1 65 65 PHE CA C 65 54.000 54.000 57.106 -3.106 18732 1543 1 5 . 1 1 65 65 PHE CB C 65 39.295 39.295 38.694 0.601 18732 1544 1 5 . 1 1 66 66 VAL N N 66 123.832 123.832 125.086 -1.254 18732 1545 1 5 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.014 1.143 18732 1546 1 5 . 1 1 66 66 VAL CA C 66 58.634 58.634 63.820 -5.186 18732 1547 1 5 . 1 1 66 66 VAL CB C 66 32.312 32.312 31.665 0.647 18732 1548 1 5 . 1 1 67 67 THR N N 67 125.293 125.293 123.027 2.266 18732 1549 1 5 . 1 1 67 67 THR CA C 67 57.150 57.150 61.684 -4.535 18732 1550 1 5 . 1 1 67 67 THR CB C 67 67.050 67.050 70.274 -3.224 18732 1551 1 5 . 1 1 68 68 ILE N N 68 128.624 128.624 128.268 0.356 18732 1552 1 5 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.677 0.186 18732 1553 1 5 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.303 -2.070 18732 1554 1 5 . 1 1 68 68 ILE CB C 68 39.314 39.314 41.527 -2.213 18732 1555 1 5 . 1 1 69 69 SER N N 69 122.023 122.023 121.690 0.333 18732 1556 1 5 . 1 1 69 69 SER HA H 69 5.804 5.804 5.430 0.374 18732 1557 1 5 . 1 1 69 69 SER CA C 69 53.530 53.530 56.969 -3.439 18732 1558 1 5 . 1 1 69 69 SER CB C 69 61.921 61.921 65.621 -3.700 18732 1559 1 5 . 1 1 70 70 PHE N N 70 123.800 123.800 121.052 2.748 18732 1560 1 5 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.489 -0.112 18732 1561 1 5 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.447 -2.304 18732 1562 1 5 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.672 -1.304 18732 1563 1 5 . 1 1 71 71 ASP N N 71 121.547 121.547 120.033 1.514 18732 1564 1 5 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.038 0.061 18732 1565 1 5 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.732 -2.510 18732 1566 1 5 . 1 1 71 71 ASP CB C 71 40.845 40.845 43.900 -3.055 18732 1567 1 5 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.482 -0.117 18732 1568 1 5 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.383 -2.784 18732 1569 1 5 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.105 -2.439 18732 1570 1 5 . 1 1 73 73 TYR N N 73 118.085 118.085 120.910 -2.825 18732 1571 1 5 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.279 0.347 18732 1572 1 5 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.506 -3.176 18732 1573 1 5 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.401 -2.821 18732 1574 1 5 . 1 1 74 74 SER N N 74 113.942 113.942 111.813 2.129 18732 1575 1 5 . 1 1 74 74 SER HA H 74 4.506 4.506 4.612 -0.106 18732 1576 1 5 . 1 1 74 74 SER CA C 74 56.253 56.253 58.520 -2.267 18732 1577 1 5 . 1 1 74 74 SER CB C 74 62.670 62.670 63.147 -0.477 18732 1578 1 5 . 1 1 75 75 GLN N N 75 115.717 115.717 118.303 -2.586 18732 1579 1 5 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.528 -0.284 18732 1580 1 5 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.166 -1.595 18732 1581 1 5 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.944 -3.321 18732 1582 1 5 . 1 1 76 76 LYS N N 76 119.205 119.205 120.302 -1.097 18732 1583 1 5 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.247 0.197 18732 1584 1 5 . 1 1 76 76 LYS CA C 76 54.013 54.013 56.460 -2.447 18732 1585 1 5 . 1 1 76 76 LYS CB C 76 31.375 31.375 32.578 -1.202 18732 1586 1 5 . 1 1 77 77 VAL N N 77 125.587 125.587 127.636 -2.049 18732 1587 1 5 . 1 1 77 77 VAL HA H 77 4.004 4.004 3.909 0.095 18732 1588 1 5 . 1 1 77 77 VAL CA C 77 61.558 61.558 63.961 -2.402 18732 1589 1 5 . 1 1 77 77 VAL CB C 77 30.401 30.401 31.344 -0.943 18732 1590 1 5 . 1 1 78 78 ASN N N 78 126.604 126.604 128.441 -1.837 18732 1591 1 5 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.800 0.150 18732 1592 1 5 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.500 -2.923 18732 1593 1 5 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.433 -2.072 18732 1594 1 5 . 1 1 79 79 LYS N N 79 118.463 118.463 118.680 -0.217 18732 1595 1 5 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.672 -0.054 18732 1596 1 5 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.948 -2.376 18732 1597 1 5 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.234 -2.705 18732 1598 1 5 . 1 1 80 80 ILE N N 80 123.294 123.294 121.947 1.347 18732 1599 1 5 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.260 -0.189 18732 1600 1 5 . 1 1 80 80 ILE CA C 80 57.696 57.696 60.036 -2.340 18732 1601 1 5 . 1 1 80 80 ILE CB C 80 38.260 38.260 42.121 -3.861 18732 1602 1 5 . 1 1 81 81 ALA N N 81 130.466 130.466 127.769 2.697 18732 1603 1 5 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.841 0.195 18732 1604 1 5 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.253 -3.031 18732 1605 1 5 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.428 -2.354 18732 1606 1 5 . 1 1 82 82 ILE N N 82 122.249 122.249 118.636 3.613 18732 1607 1 5 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.605 0.637 18732 1608 1 5 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.978 -2.303 18732 1609 1 5 . 1 1 82 82 ILE CB C 82 37.792 37.792 40.605 -2.813 18732 1610 1 5 . 1 1 83 83 LEU N N 83 129.605 129.605 125.252 4.353 18732 1611 1 5 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.903 0.051 18732 1612 1 5 . 1 1 83 83 LEU CA C 83 51.332 51.332 54.502 -3.171 18732 1613 1 5 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.986 -3.511 18732 1614 1 5 . 1 1 84 84 GLU N N 84 125.594 125.594 122.126 3.468 18732 1615 1 5 . 1 1 84 84 GLU HA H 84 4.712 4.712 5.008 -0.296 18732 1616 1 5 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.354 -0.964 18732 1617 1 5 . 1 1 84 84 GLU CB C 84 28.122 28.122 32.407 -4.285 18732 1618 1 5 . 1 1 85 85 GLU N N 85 123.904 123.904 125.211 -1.307 18732 1619 1 5 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.558 -0.129 18732 1620 1 5 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.582 -2.686 18732 1621 1 5 . 1 1 85 85 GLU CB C 85 28.642 28.642 30.860 -2.219 18732 1622 1 5 . 1 1 86 86 TYR N N 86 123.323 123.323 121.891 1.432 18732 1623 1 5 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.901 -0.180 18732 1624 1 5 . 1 1 86 86 TYR CA C 86 53.909 53.909 56.438 -2.529 18732 1625 1 5 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.664 -3.068 18732 1626 1 6 . 1 1 2 2 GLU N N 2 120.598 120.598 120.320 0.278 18732 1627 1 6 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.658 -1.693 18732 1628 1 6 . 1 1 2 2 GLU CB C 2 27.978 27.978 31.069 -3.091 18732 1629 1 6 . 1 1 3 3 GLU N N 3 120.984 120.984 118.435 2.549 18732 1630 1 6 . 1 1 3 3 GLU HA H 3 4.198 4.198 3.880 0.318 18732 1631 1 6 . 1 1 3 3 GLU CA C 3 60.035 60.035 56.629 3.406 18732 1632 1 6 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.792 -0.524 18732 1633 1 6 . 1 1 4 4 THR N N 4 117.936 117.936 108.664 9.272 18732 1634 1 6 . 1 1 4 4 THR HA H 4 4.665 4.665 4.641 0.024 18732 1635 1 6 . 1 1 4 4 THR CA C 4 57.307 57.307 58.526 -1.220 18732 1636 1 6 . 1 1 4 4 THR CB C 4 67.215 67.215 70.304 -3.089 18732 1637 1 6 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.941 -3.200 18732 1638 1 6 . 1 1 5 5 PRO CB C 5 29.700 29.700 31.848 -2.148 18732 1639 1 6 . 1 1 6 6 LEU N N 6 122.097 122.097 117.740 4.357 18732 1640 1 6 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.620 -0.239 18732 1641 1 6 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.189 -1.174 18732 1642 1 6 . 1 1 6 6 LEU CB C 6 40.054 40.054 39.955 0.099 18732 1643 1 6 . 1 1 8 8 THR N N 8 116.987 116.987 117.073 -0.086 18732 1644 1 6 . 1 1 8 8 THR HA H 8 4.348 4.348 4.285 0.063 18732 1645 1 6 . 1 1 8 8 THR CA C 8 59.340 59.340 61.713 -2.373 18732 1646 1 6 . 1 1 8 8 THR CB C 8 67.234 67.234 70.272 -3.038 18732 1647 1 6 . 1 1 9 9 ALA N N 9 125.944 125.944 127.008 -1.064 18732 1648 1 6 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.195 0.179 18732 1649 1 6 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.776 -2.767 18732 1650 1 6 . 1 1 9 9 ALA CB C 9 16.807 16.807 18.835 -2.028 18732 1651 1 6 . 1 1 10 10 ARG N N 10 119.637 119.637 122.448 -2.811 18732 1652 1 6 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.664 -0.341 18732 1653 1 6 . 1 1 10 10 ARG CA C 10 53.532 53.532 54.755 -1.223 18732 1654 1 6 . 1 1 10 10 ARG CB C 10 28.492 28.492 31.660 -3.168 18732 1655 1 6 . 1 1 11 11 HIS N N 11 119.667 119.667 119.195 0.472 18732 1656 1 6 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.867 -0.150 18732 1657 1 6 . 1 1 11 11 HIS CA C 11 52.790 52.790 55.498 -2.708 18732 1658 1 6 . 1 1 11 11 HIS CB C 11 27.033 27.033 31.984 -4.951 18732 1659 1 6 . 1 1 12 12 MET N N 12 122.280 122.280 121.335 0.945 18732 1660 1 6 . 1 1 12 12 MET HA H 12 4.543 4.543 4.543 -0.000 18732 1661 1 6 . 1 1 12 12 MET CA C 12 53.058 53.058 55.091 -2.033 18732 1662 1 6 . 1 1 12 12 MET CB C 12 29.647 29.647 33.987 -4.340 18732 1663 1 6 . 1 1 13 13 SER N N 13 118.363 118.363 116.095 2.268 18732 1664 1 6 . 1 1 13 13 SER HA H 13 4.515 4.515 4.419 0.096 18732 1665 1 6 . 1 1 13 13 SER CA C 13 55.083 55.083 58.717 -3.634 18732 1666 1 6 . 1 1 13 13 SER CB C 13 62.243 62.243 64.444 -2.201 18732 1667 1 6 . 1 1 14 14 LYS N N 14 123.039 123.039 123.073 -0.034 18732 1668 1 6 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.806 0.120 18732 1669 1 6 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.558 -2.678 18732 1670 1 6 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.781 -2.286 18732 1671 1 6 . 1 1 15 15 TRP N N 15 118.585 118.585 116.012 2.573 18732 1672 1 6 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.897 -0.518 18732 1673 1 6 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.888 -1.319 18732 1674 1 6 . 1 1 15 15 TRP CB C 15 27.426 27.426 30.162 -2.736 18732 1675 1 6 . 1 1 16 16 GLU N N 16 119.418 119.418 122.022 -2.604 18732 1676 1 6 . 1 1 16 16 GLU HA H 16 2.976 2.976 2.878 0.098 18732 1677 1 6 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.471 -3.931 18732 1678 1 6 . 1 1 16 16 GLU CB C 16 27.787 27.787 29.266 -1.479 18732 1679 1 6 . 1 1 17 17 GLU N N 17 117.377 117.377 117.961 -0.584 18732 1680 1 6 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.035 -0.125 18732 1681 1 6 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.275 -2.377 18732 1682 1 6 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.595 -2.742 18732 1683 1 6 . 1 1 18 18 ILE N N 18 119.807 119.807 120.434 -0.627 18732 1684 1 6 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.702 -0.034 18732 1685 1 6 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.336 -2.591 18732 1686 1 6 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.833 -2.170 18732 1687 1 6 . 1 1 19 19 ALA N N 19 121.744 121.744 122.865 -1.121 18732 1688 1 6 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.053 -0.098 18732 1689 1 6 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.431 -1.988 18732 1690 1 6 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.456 -3.182 18732 1691 1 6 . 1 1 20 20 VAL N N 20 115.918 115.918 118.331 -2.413 18732 1692 1 6 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.550 -0.151 18732 1693 1 6 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.504 -2.175 18732 1694 1 6 . 1 1 20 20 VAL CB C 20 29.404 29.404 30.746 -1.342 18732 1695 1 6 . 1 1 21 21 LYS N N 21 119.785 119.785 120.543 -0.758 18732 1696 1 6 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.903 0.018 18732 1697 1 6 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.194 -2.752 18732 1698 1 6 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.280 1.232 18732 1699 1 6 . 1 1 22 22 GLU N N 22 118.955 118.955 118.190 0.765 18732 1700 1 6 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.124 -0.055 18732 1701 1 6 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.069 -2.808 18732 1702 1 6 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.218 -3.122 18732 1703 1 6 . 1 1 23 23 ALA N N 23 122.253 122.253 121.298 0.955 18732 1704 1 6 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.255 -0.154 18732 1705 1 6 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.872 -1.646 18732 1706 1 6 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.678 -3.169 18732 1707 1 6 . 1 1 24 24 LYS N N 24 116.889 116.889 115.135 1.754 18732 1708 1 6 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.355 -0.336 18732 1709 1 6 . 1 1 24 24 LYS CA C 24 55.745 55.745 57.717 -1.972 18732 1710 1 6 . 1 1 24 24 LYS CB C 24 29.185 29.185 32.831 -3.646 18732 1711 1 6 . 1 1 25 25 LYS N N 25 117.772 117.772 120.006 -2.234 18732 1712 1 6 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.315 -0.292 18732 1713 1 6 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.499 -2.159 18732 1714 1 6 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.793 -2.591 18732 1715 1 6 . 1 1 26 26 ARG N N 26 117.176 117.176 119.254 -2.078 18732 1716 1 6 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.192 -0.135 18732 1717 1 6 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.665 -3.674 18732 1718 1 6 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.744 -2.710 18732 1719 1 6 . 1 1 27 27 TYR N N 27 117.344 117.344 117.007 0.337 18732 1720 1 6 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.873 0.209 18732 1721 1 6 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.449 -2.891 18732 1722 1 6 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.296 -2.309 18732 1723 1 6 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.303 0.446 18732 1724 1 6 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.863 -2.470 18732 1725 1 6 . 1 1 28 28 PRO CB C 28 29.855 29.855 31.927 -2.072 18732 1726 1 6 . 1 1 29 29 LEU N N 29 117.758 117.758 117.331 0.427 18732 1727 1 6 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.531 0.058 18732 1728 1 6 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.762 -3.188 18732 1729 1 6 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.671 -2.781 18732 1730 1 6 . 1 1 30 30 ALA N N 30 122.493 122.493 119.881 2.612 18732 1731 1 6 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.862 -0.011 18732 1732 1 6 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.992 -2.137 18732 1733 1 6 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.144 -2.476 18732 1734 1 6 . 1 1 31 31 GLN N N 31 118.936 118.936 117.118 1.818 18732 1735 1 6 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.797 -0.158 18732 1736 1 6 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.182 -2.911 18732 1737 1 6 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.416 -3.572 18732 1738 1 6 . 1 1 32 32 VAL N N 32 123.815 123.815 120.965 2.850 18732 1739 1 6 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.127 0.538 18732 1740 1 6 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.992 -1.726 18732 1741 1 6 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.437 -3.559 18732 1742 1 6 . 1 1 33 33 LEU N N 33 128.709 128.709 121.808 6.901 18732 1743 1 6 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.812 -0.570 18732 1744 1 6 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.828 -1.445 18732 1745 1 6 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.743 -1.620 18732 1746 1 6 . 1 1 34 34 PHE N N 34 114.779 114.779 119.225 -4.446 18732 1747 1 6 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.584 -0.678 18732 1748 1 6 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.337 -3.422 18732 1749 1 6 . 1 1 34 34 PHE CB C 34 40.653 40.653 42.954 -2.301 18732 1750 1 6 . 1 1 35 35 LYS N N 35 120.077 120.077 122.437 -2.360 18732 1751 1 6 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.581 0.657 18732 1752 1 6 . 1 1 35 35 LYS CA C 35 52.297 52.297 56.449 -4.152 18732 1753 1 6 . 1 1 35 35 LYS CB C 35 32.998 32.998 33.673 -0.675 18732 1754 1 6 . 1 1 36 36 GLN N N 36 119.491 119.491 122.364 -2.873 18732 1755 1 6 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.735 0.501 18732 1756 1 6 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.843 -2.646 18732 1757 1 6 . 1 1 36 36 GLN CB C 36 30.609 30.609 31.616 -1.008 18732 1758 1 6 . 1 1 37 37 LYS N N 37 128.471 128.471 119.894 8.577 18732 1759 1 6 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.595 0.200 18732 1760 1 6 . 1 1 37 37 LYS CA C 37 54.661 54.661 56.382 -1.721 18732 1761 1 6 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.660 -2.387 18732 1762 1 6 . 1 1 38 38 VAL N N 38 125.112 125.112 117.377 7.735 18732 1763 1 6 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.306 0.031 18732 1764 1 6 . 1 1 38 38 VAL CA C 38 60.252 60.252 61.226 -0.974 18732 1765 1 6 . 1 1 38 38 VAL CB C 38 30.720 30.720 35.523 -4.803 18732 1766 1 6 . 1 1 39 39 TRP N N 39 123.085 123.085 125.029 -1.944 18732 1767 1 6 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.639 0.210 18732 1768 1 6 . 1 1 39 39 TRP CA C 39 54.206 54.206 56.966 -2.760 18732 1769 1 6 . 1 1 39 39 TRP CB C 39 30.461 30.461 29.163 1.298 18732 1770 1 6 . 1 1 40 40 ASP N N 40 123.000 123.000 126.003 -3.003 18732 1771 1 6 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.547 0.581 18732 1772 1 6 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.551 -2.446 18732 1773 1 6 . 1 1 40 40 ASP CB C 40 41.077 41.077 42.794 -1.717 18732 1774 1 6 . 1 1 41 41 ARG N N 41 123.259 123.259 121.296 1.963 18732 1775 1 6 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.286 0.262 18732 1776 1 6 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.633 -2.010 18732 1777 1 6 . 1 1 41 41 ARG CB C 41 31.417 31.417 33.398 -1.981 18732 1778 1 6 . 1 1 42 42 LYS N N 42 124.798 124.798 121.989 2.809 18732 1779 1 6 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.347 0.341 18732 1780 1 6 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.727 -0.954 18732 1781 1 6 . 1 1 42 42 LYS CB C 42 31.787 31.787 35.266 -3.479 18732 1782 1 6 . 1 1 43 43 ARG N N 43 124.461 124.461 123.284 1.177 18732 1783 1 6 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.592 0.057 18732 1784 1 6 . 1 1 43 43 ARG CA C 43 52.179 52.179 54.962 -2.783 18732 1785 1 6 . 1 1 43 43 ARG CB C 43 30.149 30.149 32.265 -2.116 18732 1786 1 6 . 1 1 44 44 LYS N N 44 121.297 121.297 121.930 -0.633 18732 1787 1 6 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.088 -0.065 18732 1788 1 6 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.854 -2.218 18732 1789 1 6 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.422 -2.310 18732 1790 1 6 . 1 1 45 45 ASP N N 45 115.145 115.145 114.086 1.059 18732 1791 1 6 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.887 -0.137 18732 1792 1 6 . 1 1 45 45 ASP CA C 45 51.100 51.100 52.915 -1.815 18732 1793 1 6 . 1 1 45 45 ASP CB C 45 38.693 38.693 40.818 -2.125 18732 1794 1 6 . 1 1 46 46 GLU N N 46 118.274 118.274 117.183 1.091 18732 1795 1 6 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.546 -0.079 18732 1796 1 6 . 1 1 46 46 GLU CA C 46 53.722 53.722 56.266 -2.544 18732 1797 1 6 . 1 1 46 46 GLU CB C 46 30.070 30.070 32.971 -2.901 18732 1798 1 6 . 1 1 47 47 ALA N N 47 127.506 127.506 121.179 6.327 18732 1799 1 6 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.612 0.082 18732 1800 1 6 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.987 -2.879 18732 1801 1 6 . 1 1 47 47 ALA CB C 47 18.842 18.842 21.790 -2.948 18732 1802 1 6 . 1 1 48 48 VAL N N 48 118.088 118.088 120.557 -2.469 18732 1803 1 6 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.923 0.422 18732 1804 1 6 . 1 1 48 48 VAL CA C 48 57.625 57.625 60.558 -2.933 18732 1805 1 6 . 1 1 48 48 VAL CB C 48 33.496 33.496 34.449 -0.953 18732 1806 1 6 . 1 1 49 49 LYS N N 49 124.725 124.725 127.928 -3.203 18732 1807 1 6 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.652 0.705 18732 1808 1 6 . 1 1 49 49 LYS CA C 49 52.039 52.039 54.697 -2.658 18732 1809 1 6 . 1 1 50 50 GLN N N 50 121.028 121.028 119.757 1.271 18732 1810 1 6 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.735 0.251 18732 1811 1 6 . 1 1 50 50 GLN CA C 50 52.113 52.113 54.022 -1.909 18732 1812 1 6 . 1 1 50 50 GLN CB C 50 23.684 23.684 32.668 -8.984 18732 1813 1 6 . 1 1 51 51 TYR N N 51 124.549 124.549 115.690 8.859 18732 1814 1 6 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.871 0.347 18732 1815 1 6 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.190 -2.640 18732 1816 1 6 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.445 -2.165 18732 1817 1 6 . 1 1 52 52 HIS N N 52 121.301 121.301 122.277 -0.976 18732 1818 1 6 . 1 1 52 52 HIS HA H 52 5.219 5.219 4.966 0.253 18732 1819 1 6 . 1 1 52 52 HIS CA C 52 51.708 51.708 54.844 -3.136 18732 1820 1 6 . 1 1 52 52 HIS CB C 52 28.907 28.907 31.067 -2.160 18732 1821 1 6 . 1 1 53 53 LEU N N 53 127.743 127.743 125.884 1.859 18732 1822 1 6 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.470 0.738 18732 1823 1 6 . 1 1 53 53 LEU CA C 53 50.887 50.887 53.945 -3.058 18732 1824 1 6 . 1 1 53 53 LEU CB C 53 42.084 42.084 46.502 -4.418 18732 1825 1 6 . 1 1 54 54 THR N N 54 117.996 117.996 117.739 0.257 18732 1826 1 6 . 1 1 54 54 THR HA H 54 4.600 4.600 4.310 0.290 18732 1827 1 6 . 1 1 54 54 THR CA C 54 59.774 59.774 61.689 -1.915 18732 1828 1 6 . 1 1 54 54 THR CB C 54 67.153 67.153 68.647 -1.494 18732 1829 1 6 . 1 1 55 55 LEU N N 55 129.329 129.329 126.273 3.056 18732 1830 1 6 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.964 0.110 18732 1831 1 6 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.814 -3.045 18732 1832 1 6 . 1 1 55 55 LEU CB C 55 42.090 42.090 43.359 -1.269 18732 1833 1 6 . 1 1 56 56 ARG N N 56 117.231 117.231 120.317 -3.086 18732 1834 1 6 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.987 0.370 18732 1835 1 6 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.526 -2.651 18732 1836 1 6 . 1 1 56 56 ARG CB C 56 31.945 31.945 33.713 -1.768 18732 1837 1 6 . 1 1 57 57 GLU N N 57 128.411 128.411 128.306 0.105 18732 1838 1 6 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.793 -0.102 18732 1839 1 6 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.083 -2.219 18732 1840 1 6 . 1 1 57 57 GLU CB C 57 29.942 29.942 32.232 -2.290 18732 1841 1 6 . 1 1 58 58 GLY N N 58 118.265 118.265 117.870 0.395 18732 1842 1 6 . 1 1 58 58 GLY CA C 58 44.943 44.943 46.868 -1.925 18732 1843 1 6 . 1 1 59 59 SER N N 59 122.061 122.061 119.848 2.213 18732 1844 1 6 . 1 1 59 59 SER HA H 59 4.567 4.567 4.690 -0.123 18732 1845 1 6 . 1 1 59 59 SER CA C 59 55.730 55.730 58.011 -2.281 18732 1846 1 6 . 1 1 59 59 SER CB C 59 61.262 61.262 63.807 -2.545 18732 1847 1 6 . 1 1 60 60 LYS N N 60 124.154 124.154 122.270 1.884 18732 1848 1 6 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.668 -0.048 18732 1849 1 6 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.909 -2.465 18732 1850 1 6 . 1 1 60 60 LYS CB C 60 32.144 32.144 35.967 -3.823 18732 1851 1 6 . 1 1 61 61 GLU N N 61 125.701 125.701 122.726 2.975 18732 1852 1 6 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.446 0.068 18732 1853 1 6 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.289 -3.183 18732 1854 1 6 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.514 -2.974 18732 1855 1 6 . 1 1 62 62 PHE N N 62 121.360 121.360 118.436 2.924 18732 1856 1 6 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.954 0.092 18732 1857 1 6 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.889 -2.526 18732 1858 1 6 . 1 1 62 62 PHE CB C 62 37.799 37.799 39.971 -2.172 18732 1859 1 6 . 1 1 63 63 GLY N N 63 107.546 107.546 106.229 1.317 18732 1860 1 6 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.958 -2.326 18732 1861 1 6 . 1 1 64 64 VAL N N 64 115.031 115.031 116.095 -1.064 18732 1862 1 6 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.857 0.163 18732 1863 1 6 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.187 -2.157 18732 1864 1 6 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.369 -1.217 18732 1865 1 6 . 1 1 65 65 PHE N N 65 122.208 122.208 117.844 4.364 18732 1866 1 6 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.562 0.070 18732 1867 1 6 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.092 -2.092 18732 1868 1 6 . 1 1 65 65 PHE CB C 65 39.295 39.295 43.950 -4.655 18732 1869 1 6 . 1 1 66 66 VAL N N 66 123.832 123.832 121.343 2.489 18732 1870 1 6 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.562 0.595 18732 1871 1 6 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.654 -3.020 18732 1872 1 6 . 1 1 66 66 VAL CB C 66 32.312 32.312 32.778 -0.466 18732 1873 1 6 . 1 1 67 67 THR N N 67 125.293 125.293 124.728 0.565 18732 1874 1 6 . 1 1 67 67 THR CA C 67 57.150 57.150 63.128 -5.978 18732 1875 1 6 . 1 1 67 67 THR CB C 67 67.050 67.050 67.222 -0.172 18732 1876 1 6 . 1 1 68 68 ILE N N 68 128.624 128.624 128.585 0.039 18732 1877 1 6 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.358 0.505 18732 1878 1 6 . 1 1 68 68 ILE CA C 68 58.233 58.233 61.021 -2.788 18732 1879 1 6 . 1 1 68 68 ILE CB C 68 39.314 39.314 38.748 0.566 18732 1880 1 6 . 1 1 69 69 SER N N 69 122.023 122.023 122.721 -0.698 18732 1881 1 6 . 1 1 69 69 SER HA H 69 5.804 5.804 5.221 0.583 18732 1882 1 6 . 1 1 69 69 SER CA C 69 53.530 53.530 56.715 -3.185 18732 1883 1 6 . 1 1 69 69 SER CB C 69 61.921 61.921 64.370 -2.449 18732 1884 1 6 . 1 1 70 70 PHE N N 70 123.800 123.800 123.791 0.009 18732 1885 1 6 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.305 0.072 18732 1886 1 6 . 1 1 70 70 PHE CA C 70 53.143 53.143 54.815 -1.672 18732 1887 1 6 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.387 -1.019 18732 1888 1 6 . 1 1 71 71 ASP N N 71 121.547 121.547 118.621 2.926 18732 1889 1 6 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.166 -0.067 18732 1890 1 6 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.606 -2.384 18732 1891 1 6 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.270 -3.425 18732 1892 1 6 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.439 -0.074 18732 1893 1 6 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.538 -2.939 18732 1894 1 6 . 1 1 72 72 PRO CB C 72 29.666 29.666 31.938 -2.272 18732 1895 1 6 . 1 1 73 73 TYR N N 73 118.085 118.085 118.838 -0.753 18732 1896 1 6 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.334 0.292 18732 1897 1 6 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.447 -3.117 18732 1898 1 6 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.299 -2.719 18732 1899 1 6 . 1 1 74 74 SER N N 74 113.942 113.942 111.213 2.729 18732 1900 1 6 . 1 1 74 74 SER HA H 74 4.506 4.506 4.644 -0.138 18732 1901 1 6 . 1 1 74 74 SER CA C 74 56.253 56.253 57.931 -1.678 18732 1902 1 6 . 1 1 74 74 SER CB C 74 62.670 62.670 64.022 -1.352 18732 1903 1 6 . 1 1 75 75 GLN N N 75 115.717 115.717 118.999 -3.282 18732 1904 1 6 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.559 -0.315 18732 1905 1 6 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.344 -1.772 18732 1906 1 6 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.710 -3.087 18732 1907 1 6 . 1 1 76 76 LYS N N 76 119.205 119.205 119.521 -0.316 18732 1908 1 6 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.542 -0.098 18732 1909 1 6 . 1 1 76 76 LYS CA C 76 54.013 54.013 55.697 -1.684 18732 1910 1 6 . 1 1 76 76 LYS CB C 76 31.375 31.375 34.290 -2.915 18732 1911 1 6 . 1 1 77 77 VAL N N 77 125.587 125.587 122.657 2.930 18732 1912 1 6 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.202 -0.198 18732 1913 1 6 . 1 1 77 77 VAL CA C 77 61.558 61.558 61.792 -0.234 18732 1914 1 6 . 1 1 77 77 VAL CB C 77 30.401 30.401 33.609 -3.208 18732 1915 1 6 . 1 1 78 78 ASN N N 78 126.604 126.604 128.002 -1.398 18732 1916 1 6 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.726 0.224 18732 1917 1 6 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.864 -3.287 18732 1918 1 6 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.546 -2.185 18732 1919 1 6 . 1 1 79 79 LYS N N 79 118.463 118.463 117.721 0.742 18732 1920 1 6 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.703 -0.085 18732 1921 1 6 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.383 -1.810 18732 1922 1 6 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.953 -3.424 18732 1923 1 6 . 1 1 80 80 ILE N N 80 123.294 123.294 120.101 3.193 18732 1924 1 6 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.075 -0.004 18732 1925 1 6 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.838 -2.142 18732 1926 1 6 . 1 1 80 80 ILE CB C 80 38.260 38.260 40.035 -1.774 18732 1927 1 6 . 1 1 81 81 ALA N N 81 130.466 130.466 129.710 0.756 18732 1928 1 6 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.832 0.204 18732 1929 1 6 . 1 1 81 81 ALA CA C 81 48.222 48.222 50.443 -2.221 18732 1930 1 6 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.430 -2.356 18732 1931 1 6 . 1 1 82 82 ILE N N 82 122.249 122.249 118.384 3.865 18732 1932 1 6 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.614 0.628 18732 1933 1 6 . 1 1 82 82 ILE CA C 82 57.675 57.675 60.143 -2.468 18732 1934 1 6 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.478 -3.686 18732 1935 1 6 . 1 1 83 83 LEU N N 83 129.605 129.605 126.453 3.152 18732 1936 1 6 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.924 0.030 18732 1937 1 6 . 1 1 83 83 LEU CA C 83 51.332 51.332 54.609 -3.277 18732 1938 1 6 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.878 -3.403 18732 1939 1 6 . 1 1 84 84 GLU N N 84 125.594 125.594 123.171 2.423 18732 1940 1 6 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.755 -0.043 18732 1941 1 6 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.666 -1.276 18732 1942 1 6 . 1 1 84 84 GLU CB C 84 28.122 28.122 32.190 -4.068 18732 1943 1 6 . 1 1 85 85 GLU N N 85 123.904 123.904 125.814 -1.910 18732 1944 1 6 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.375 0.054 18732 1945 1 6 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.446 -2.550 18732 1946 1 6 . 1 1 85 85 GLU CB C 85 28.642 28.642 31.199 -2.557 18732 1947 1 6 . 1 1 86 86 TYR N N 86 123.323 123.323 121.285 2.038 18732 1948 1 6 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.835 -0.114 18732 1949 1 6 . 1 1 86 86 TYR CA C 86 53.909 53.909 56.851 -2.942 18732 1950 1 6 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.375 -2.779 18732 1951 1 7 . 1 1 2 2 GLU N N 2 120.598 120.598 121.079 -0.481 18732 1952 1 7 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.781 -1.816 18732 1953 1 7 . 1 1 2 2 GLU CB C 2 27.978 27.978 30.481 -2.503 18732 1954 1 7 . 1 1 3 3 GLU N N 3 120.984 120.984 119.947 1.037 18732 1955 1 7 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.154 0.044 18732 1956 1 7 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.876 2.159 18732 1957 1 7 . 1 1 3 3 GLU CB C 3 30.268 30.268 29.695 0.573 18732 1958 1 7 . 1 1 4 4 THR N N 4 117.936 117.936 108.864 9.072 18732 1959 1 7 . 1 1 4 4 THR HA H 4 4.665 4.665 4.513 0.152 18732 1960 1 7 . 1 1 4 4 THR CA C 4 57.307 57.307 58.732 -1.425 18732 1961 1 7 . 1 1 4 4 THR CB C 4 67.215 67.215 69.867 -2.652 18732 1962 1 7 . 1 1 5 5 PRO CA C 5 60.740 60.740 62.975 -2.235 18732 1963 1 7 . 1 1 5 5 PRO CB C 5 29.700 29.700 29.726 -0.026 18732 1964 1 7 . 1 1 6 6 LEU N N 6 122.097 122.097 124.046 -1.949 18732 1965 1 7 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.538 -0.157 18732 1966 1 7 . 1 1 6 6 LEU CA C 6 53.015 53.015 53.874 -0.859 18732 1967 1 7 . 1 1 6 6 LEU CB C 6 40.054 40.054 42.714 -2.660 18732 1968 1 7 . 1 1 8 8 THR N N 8 116.987 116.987 116.195 0.792 18732 1969 1 7 . 1 1 8 8 THR HA H 8 4.348 4.348 4.258 0.090 18732 1970 1 7 . 1 1 8 8 THR CA C 8 59.340 59.340 62.725 -3.385 18732 1971 1 7 . 1 1 8 8 THR CB C 8 67.234 67.234 69.321 -2.087 18732 1972 1 7 . 1 1 9 9 ALA N N 9 125.944 125.944 123.209 2.735 18732 1973 1 7 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.168 0.206 18732 1974 1 7 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.441 -2.432 18732 1975 1 7 . 1 1 9 9 ALA CB C 9 16.807 16.807 19.287 -2.480 18732 1976 1 7 . 1 1 10 10 ARG N N 10 119.637 119.637 120.467 -0.830 18732 1977 1 7 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.525 -0.202 18732 1978 1 7 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.886 -2.354 18732 1979 1 7 . 1 1 10 10 ARG CB C 10 28.492 28.492 29.893 -1.401 18732 1980 1 7 . 1 1 11 11 HIS N N 11 119.667 119.667 125.829 -6.162 18732 1981 1 7 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.784 -0.067 18732 1982 1 7 . 1 1 11 11 HIS CA C 11 52.790 52.790 55.767 -2.977 18732 1983 1 7 . 1 1 11 11 HIS CB C 11 27.033 27.033 31.619 -4.586 18732 1984 1 7 . 1 1 12 12 MET N N 12 122.280 122.280 123.052 -0.772 18732 1985 1 7 . 1 1 12 12 MET HA H 12 4.543 4.543 4.921 -0.378 18732 1986 1 7 . 1 1 12 12 MET CA C 12 53.058 53.058 54.317 -1.259 18732 1987 1 7 . 1 1 12 12 MET CB C 12 29.647 29.647 34.715 -5.068 18732 1988 1 7 . 1 1 13 13 SER N N 13 118.363 118.363 113.653 4.710 18732 1989 1 7 . 1 1 13 13 SER HA H 13 4.515 4.515 4.597 -0.082 18732 1990 1 7 . 1 1 13 13 SER CA C 13 55.083 55.083 57.757 -2.674 18732 1991 1 7 . 1 1 13 13 SER CB C 13 62.243 62.243 64.323 -2.080 18732 1992 1 7 . 1 1 14 14 LYS N N 14 123.039 123.039 123.019 0.020 18732 1993 1 7 . 1 1 14 14 LYS HA H 14 3.926 3.926 4.030 -0.104 18732 1994 1 7 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.000 -2.120 18732 1995 1 7 . 1 1 14 14 LYS CB C 14 29.495 29.495 32.008 -2.514 18732 1996 1 7 . 1 1 15 15 TRP N N 15 118.585 118.585 118.318 0.267 18732 1997 1 7 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.835 -0.456 18732 1998 1 7 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.984 -1.415 18732 1999 1 7 . 1 1 15 15 TRP CB C 15 27.426 27.426 29.882 -2.456 18732 2000 1 7 . 1 1 16 16 GLU N N 16 119.418 119.418 120.693 -1.275 18732 2001 1 7 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.071 -0.095 18732 2002 1 7 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.438 -3.898 18732 2003 1 7 . 1 1 16 16 GLU CB C 16 27.787 27.787 29.077 -1.290 18732 2004 1 7 . 1 1 17 17 GLU N N 17 117.377 117.377 117.834 -0.457 18732 2005 1 7 . 1 1 17 17 GLU HA H 17 3.910 3.910 3.979 -0.069 18732 2006 1 7 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.526 -2.628 18732 2007 1 7 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.298 -2.445 18732 2008 1 7 . 1 1 18 18 ILE N N 18 119.807 119.807 119.897 -0.090 18732 2009 1 7 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.728 -0.060 18732 2010 1 7 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.262 -2.517 18732 2011 1 7 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.681 -2.018 18732 2012 1 7 . 1 1 19 19 ALA N N 19 121.744 121.744 122.992 -1.248 18732 2013 1 7 . 1 1 19 19 ALA HA H 19 3.955 3.955 3.964 -0.009 18732 2014 1 7 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.252 -1.809 18732 2015 1 7 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.093 -2.820 18732 2016 1 7 . 1 1 20 20 VAL N N 20 115.918 115.918 118.821 -2.903 18732 2017 1 7 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.455 -0.056 18732 2018 1 7 . 1 1 20 20 VAL CA C 20 64.329 64.329 67.309 -2.980 18732 2019 1 7 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.254 -1.850 18732 2020 1 7 . 1 1 21 21 LYS N N 21 119.785 119.785 119.767 0.018 18732 2021 1 7 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.857 0.064 18732 2022 1 7 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.624 -3.182 18732 2023 1 7 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.119 1.393 18732 2024 1 7 . 1 1 22 22 GLU N N 22 118.955 118.955 119.308 -0.353 18732 2025 1 7 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.022 0.047 18732 2026 1 7 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.649 -3.388 18732 2027 1 7 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.641 -3.545 18732 2028 1 7 . 1 1 23 23 ALA N N 23 122.253 122.253 121.117 1.136 18732 2029 1 7 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.250 -0.149 18732 2030 1 7 . 1 1 23 23 ALA CA C 23 53.226 53.226 55.073 -1.847 18732 2031 1 7 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.516 -3.007 18732 2032 1 7 . 1 1 24 24 LYS N N 24 116.889 116.889 117.992 -1.103 18732 2033 1 7 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.106 -0.087 18732 2034 1 7 . 1 1 24 24 LYS CA C 24 55.745 55.745 58.573 -2.828 18732 2035 1 7 . 1 1 24 24 LYS CB C 24 29.185 29.185 32.744 -3.559 18732 2036 1 7 . 1 1 25 25 LYS N N 25 117.772 117.772 120.389 -2.617 18732 2037 1 7 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.257 -0.234 18732 2038 1 7 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.484 -2.144 18732 2039 1 7 . 1 1 25 25 LYS CB C 25 30.202 30.202 31.997 -1.795 18732 2040 1 7 . 1 1 26 26 ARG N N 26 117.176 117.176 119.346 -2.170 18732 2041 1 7 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.133 -0.076 18732 2042 1 7 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.619 -3.628 18732 2043 1 7 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.724 -2.690 18732 2044 1 7 . 1 1 27 27 TYR N N 27 117.344 117.344 118.133 -0.789 18732 2045 1 7 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.896 0.186 18732 2046 1 7 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.470 -2.912 18732 2047 1 7 . 1 1 27 27 TYR CB C 27 35.987 35.987 39.521 -3.534 18732 2048 1 7 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.482 0.267 18732 2049 1 7 . 1 1 28 28 PRO CA C 28 62.393 62.393 63.943 -1.550 18732 2050 1 7 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.425 -2.570 18732 2051 1 7 . 1 1 29 29 LEU N N 29 117.758 117.758 120.220 -2.462 18732 2052 1 7 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.727 -0.138 18732 2053 1 7 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.518 -2.944 18732 2054 1 7 . 1 1 29 29 LEU CB C 29 38.890 38.890 40.468 -1.577 18732 2055 1 7 . 1 1 30 30 ALA N N 30 122.493 122.493 120.400 2.093 18732 2056 1 7 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.588 0.263 18732 2057 1 7 . 1 1 30 30 ALA CA C 30 48.855 48.855 51.643 -2.788 18732 2058 1 7 . 1 1 30 30 ALA CB C 30 19.668 19.668 21.335 -1.667 18732 2059 1 7 . 1 1 31 31 GLN N N 31 118.936 118.936 117.879 1.057 18732 2060 1 7 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.814 -0.175 18732 2061 1 7 . 1 1 31 31 GLN CA C 31 51.271 51.271 53.223 -1.952 18732 2062 1 7 . 1 1 31 31 GLN CB C 31 28.843 28.843 31.461 -2.618 18732 2063 1 7 . 1 1 32 32 VAL N N 32 123.815 123.815 121.841 1.974 18732 2064 1 7 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.164 0.501 18732 2065 1 7 . 1 1 32 32 VAL CA C 32 60.265 60.265 62.428 -2.163 18732 2066 1 7 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.358 -3.480 18732 2067 1 7 . 1 1 33 33 LEU N N 33 128.709 128.709 127.157 1.552 18732 2068 1 7 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.559 -0.317 18732 2069 1 7 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.585 -1.202 18732 2070 1 7 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.629 -1.506 18732 2071 1 7 . 1 1 34 34 PHE N N 34 114.779 114.779 118.106 -3.327 18732 2072 1 7 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.516 -0.610 18732 2073 1 7 . 1 1 34 34 PHE CA C 34 53.915 53.915 56.421 -2.506 18732 2074 1 7 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.344 -2.691 18732 2075 1 7 . 1 1 35 35 LYS N N 35 120.077 120.077 119.084 0.993 18732 2076 1 7 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.485 0.753 18732 2077 1 7 . 1 1 35 35 LYS CA C 35 52.297 52.297 56.335 -4.038 18732 2078 1 7 . 1 1 35 35 LYS CB C 35 32.998 32.998 32.824 0.174 18732 2079 1 7 . 1 1 36 36 GLN N N 36 119.491 119.491 123.464 -3.973 18732 2080 1 7 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.732 0.504 18732 2081 1 7 . 1 1 36 36 GLN CA C 36 52.197 52.197 55.907 -3.710 18732 2082 1 7 . 1 1 36 36 GLN CB C 36 30.609 30.609 33.480 -2.872 18732 2083 1 7 . 1 1 37 37 LYS N N 37 128.471 128.471 125.254 3.217 18732 2084 1 7 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.391 0.404 18732 2085 1 7 . 1 1 37 37 LYS CA C 37 54.661 54.661 56.882 -2.221 18732 2086 1 7 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.161 -1.888 18732 2087 1 7 . 1 1 38 38 VAL N N 38 125.112 125.112 119.594 5.518 18732 2088 1 7 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.333 0.004 18732 2089 1 7 . 1 1 38 38 VAL CA C 38 60.252 60.252 62.747 -2.495 18732 2090 1 7 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.412 -2.692 18732 2091 1 7 . 1 1 39 39 TRP N N 39 123.085 123.085 121.902 1.183 18732 2092 1 7 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.844 0.005 18732 2093 1 7 . 1 1 39 39 TRP CA C 39 54.206 54.206 57.661 -3.455 18732 2094 1 7 . 1 1 39 39 TRP CB C 39 30.461 30.461 31.923 -1.462 18732 2095 1 7 . 1 1 40 40 ASP N N 40 123.000 123.000 124.647 -1.647 18732 2096 1 7 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.613 0.515 18732 2097 1 7 . 1 1 40 40 ASP CA C 40 51.105 51.105 54.148 -3.043 18732 2098 1 7 . 1 1 40 40 ASP CB C 40 41.077 41.077 41.992 -0.915 18732 2099 1 7 . 1 1 41 41 ARG N N 41 123.259 123.259 124.359 -1.100 18732 2100 1 7 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.401 0.147 18732 2101 1 7 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.343 -1.720 18732 2102 1 7 . 1 1 41 41 ARG CB C 41 31.417 31.417 32.877 -1.460 18732 2103 1 7 . 1 1 42 42 LYS N N 42 124.798 124.798 121.200 3.598 18732 2104 1 7 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.319 0.369 18732 2105 1 7 . 1 1 42 42 LYS CA C 42 53.773 53.773 55.192 -1.419 18732 2106 1 7 . 1 1 42 42 LYS CB C 42 31.787 31.787 35.189 -3.402 18732 2107 1 7 . 1 1 43 43 ARG N N 43 124.461 124.461 121.274 3.187 18732 2108 1 7 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.649 0.000 18732 2109 1 7 . 1 1 43 43 ARG CA C 43 52.179 52.179 54.560 -2.381 18732 2110 1 7 . 1 1 43 43 ARG CB C 43 30.149 30.149 31.889 -1.740 18732 2111 1 7 . 1 1 44 44 LYS N N 44 121.297 121.297 119.363 1.934 18732 2112 1 7 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.081 -0.058 18732 2113 1 7 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.361 -1.725 18732 2114 1 7 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.611 -2.499 18732 2115 1 7 . 1 1 45 45 ASP N N 45 115.145 115.145 112.958 2.187 18732 2116 1 7 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.709 0.041 18732 2117 1 7 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.607 -2.507 18732 2118 1 7 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.050 -2.357 18732 2119 1 7 . 1 1 46 46 GLU N N 46 118.274 118.274 118.116 0.158 18732 2120 1 7 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.460 0.007 18732 2121 1 7 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.110 -1.388 18732 2122 1 7 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.557 -3.487 18732 2123 1 7 . 1 1 47 47 ALA N N 47 127.506 127.506 121.453 6.053 18732 2124 1 7 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.480 0.214 18732 2125 1 7 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.198 -2.090 18732 2126 1 7 . 1 1 47 47 ALA CB C 47 18.842 18.842 21.885 -3.043 18732 2127 1 7 . 1 1 48 48 VAL N N 48 118.088 118.088 114.828 3.260 18732 2128 1 7 . 1 1 48 48 VAL HA H 48 5.345 5.345 5.092 0.253 18732 2129 1 7 . 1 1 48 48 VAL CA C 48 57.625 57.625 60.068 -2.442 18732 2130 1 7 . 1 1 48 48 VAL CB C 48 33.496 33.496 34.732 -1.236 18732 2131 1 7 . 1 1 49 49 LYS N N 49 124.725 124.725 124.842 -0.117 18732 2132 1 7 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.656 0.701 18732 2133 1 7 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.698 -3.659 18732 2134 1 7 . 1 1 50 50 GLN N N 50 121.028 121.028 118.071 2.957 18732 2135 1 7 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.518 0.468 18732 2136 1 7 . 1 1 50 50 GLN CA C 50 52.113 52.113 56.968 -4.855 18732 2137 1 7 . 1 1 50 50 GLN CB C 50 23.684 23.684 29.895 -6.211 18732 2138 1 7 . 1 1 51 51 TYR N N 51 124.549 124.549 116.344 8.205 18732 2139 1 7 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.770 0.448 18732 2140 1 7 . 1 1 51 51 TYR CA C 51 54.550 54.550 56.953 -2.403 18732 2141 1 7 . 1 1 51 51 TYR CB C 51 40.280 40.280 41.315 -1.035 18732 2142 1 7 . 1 1 52 52 HIS N N 52 121.301 121.301 121.834 -0.533 18732 2143 1 7 . 1 1 52 52 HIS HA H 52 5.219 5.219 4.693 0.526 18732 2144 1 7 . 1 1 52 52 HIS CA C 52 51.708 51.708 54.832 -3.124 18732 2145 1 7 . 1 1 52 52 HIS CB C 52 28.907 28.907 31.093 -2.186 18732 2146 1 7 . 1 1 53 53 LEU N N 53 127.743 127.743 124.840 2.903 18732 2147 1 7 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.168 1.040 18732 2148 1 7 . 1 1 53 53 LEU CA C 53 50.887 50.887 53.907 -3.020 18732 2149 1 7 . 1 1 53 53 LEU CB C 53 42.084 42.084 46.663 -4.579 18732 2150 1 7 . 1 1 54 54 THR N N 54 117.996 117.996 117.130 0.866 18732 2151 1 7 . 1 1 54 54 THR HA H 54 4.600 4.600 4.373 0.227 18732 2152 1 7 . 1 1 54 54 THR CA C 54 59.774 59.774 61.867 -2.094 18732 2153 1 7 . 1 1 54 54 THR CB C 54 67.153 67.153 69.217 -2.064 18732 2154 1 7 . 1 1 55 55 LEU N N 55 129.329 129.329 126.000 3.329 18732 2155 1 7 . 1 1 55 55 LEU HA H 55 5.074 5.074 5.114 -0.040 18732 2156 1 7 . 1 1 55 55 LEU CA C 55 50.769 50.769 52.918 -2.149 18732 2157 1 7 . 1 1 55 55 LEU CB C 55 42.090 42.090 43.077 -0.987 18732 2158 1 7 . 1 1 56 56 ARG N N 56 117.231 117.231 119.901 -2.670 18732 2159 1 7 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.952 0.405 18732 2160 1 7 . 1 1 56 56 ARG CA C 56 51.875 51.875 55.059 -3.184 18732 2161 1 7 . 1 1 56 56 ARG CB C 56 31.945 31.945 34.183 -2.238 18732 2162 1 7 . 1 1 57 57 GLU N N 57 128.411 128.411 127.151 1.260 18732 2163 1 7 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.687 0.004 18732 2164 1 7 . 1 1 57 57 GLU CA C 57 52.864 52.864 54.483 -1.619 18732 2165 1 7 . 1 1 57 57 GLU CB C 57 29.942 29.942 30.658 -0.716 18732 2166 1 7 . 1 1 58 58 GLY N N 58 118.265 118.265 116.922 1.343 18732 2167 1 7 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.078 -2.135 18732 2168 1 7 . 1 1 59 59 SER N N 59 122.061 122.061 117.621 4.440 18732 2169 1 7 . 1 1 59 59 SER HA H 59 4.567 4.567 4.652 -0.085 18732 2170 1 7 . 1 1 59 59 SER CA C 59 55.730 55.730 58.244 -2.514 18732 2171 1 7 . 1 1 59 59 SER CB C 59 61.262 61.262 65.314 -4.052 18732 2172 1 7 . 1 1 60 60 LYS N N 60 124.154 124.154 122.936 1.218 18732 2173 1 7 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.661 -0.041 18732 2174 1 7 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.364 -1.920 18732 2175 1 7 . 1 1 60 60 LYS CB C 60 32.144 32.144 35.178 -3.034 18732 2176 1 7 . 1 1 61 61 GLU N N 61 125.701 125.701 123.107 2.594 18732 2177 1 7 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.376 0.138 18732 2178 1 7 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.024 -2.918 18732 2179 1 7 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.781 -3.241 18732 2180 1 7 . 1 1 62 62 PHE N N 62 121.360 121.360 117.845 3.515 18732 2181 1 7 . 1 1 62 62 PHE HA H 62 5.046 5.046 5.006 0.040 18732 2182 1 7 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.872 -2.509 18732 2183 1 7 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.037 -3.238 18732 2184 1 7 . 1 1 63 63 GLY N N 63 107.546 107.546 109.622 -2.076 18732 2185 1 7 . 1 1 63 63 GLY CA C 63 41.632 41.632 44.108 -2.476 18732 2186 1 7 . 1 1 64 64 VAL N N 64 115.031 115.031 115.865 -0.834 18732 2187 1 7 . 1 1 64 64 VAL HA H 64 5.020 5.020 5.086 -0.066 18732 2188 1 7 . 1 1 64 64 VAL CA C 64 57.030 57.030 58.950 -1.920 18732 2189 1 7 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.701 -1.549 18732 2190 1 7 . 1 1 65 65 PHE N N 65 122.208 122.208 120.059 2.149 18732 2191 1 7 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.338 0.294 18732 2192 1 7 . 1 1 65 65 PHE CA C 65 54.000 54.000 55.982 -1.982 18732 2193 1 7 . 1 1 65 65 PHE CB C 65 39.295 39.295 40.759 -1.464 18732 2194 1 7 . 1 1 66 66 VAL N N 66 123.832 123.832 125.949 -2.117 18732 2195 1 7 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.117 1.040 18732 2196 1 7 . 1 1 66 66 VAL CA C 66 58.634 58.634 63.263 -4.629 18732 2197 1 7 . 1 1 66 66 VAL CB C 66 32.312 32.312 31.648 0.664 18732 2198 1 7 . 1 1 67 67 THR N N 67 125.293 125.293 124.846 0.447 18732 2199 1 7 . 1 1 67 67 THR CA C 67 57.150 57.150 62.366 -5.216 18732 2200 1 7 . 1 1 67 67 THR CB C 67 67.050 67.050 69.571 -2.521 18732 2201 1 7 . 1 1 68 68 ILE N N 68 128.624 128.624 128.589 0.035 18732 2202 1 7 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.554 0.309 18732 2203 1 7 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.460 -2.227 18732 2204 1 7 . 1 1 68 68 ILE CB C 68 39.314 39.314 41.365 -2.051 18732 2205 1 7 . 1 1 69 69 SER N N 69 122.023 122.023 122.146 -0.123 18732 2206 1 7 . 1 1 69 69 SER HA H 69 5.804 5.804 5.387 0.417 18732 2207 1 7 . 1 1 69 69 SER CA C 69 53.530 53.530 57.155 -3.625 18732 2208 1 7 . 1 1 69 69 SER CB C 69 61.921 61.921 64.883 -2.962 18732 2209 1 7 . 1 1 70 70 PHE N N 70 123.800 123.800 121.416 2.384 18732 2210 1 7 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.215 0.162 18732 2211 1 7 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.484 -2.341 18732 2212 1 7 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.609 -1.241 18732 2213 1 7 . 1 1 71 71 ASP N N 71 121.547 121.547 121.625 -0.078 18732 2214 1 7 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.030 0.069 18732 2215 1 7 . 1 1 71 71 ASP CA C 71 48.222 48.222 52.711 -4.489 18732 2216 1 7 . 1 1 71 71 ASP CB C 71 40.845 40.845 43.009 -2.164 18732 2217 1 7 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.443 -0.078 18732 2218 1 7 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.426 -2.827 18732 2219 1 7 . 1 1 72 72 PRO CB C 72 29.666 29.666 31.977 -2.311 18732 2220 1 7 . 1 1 73 73 TYR N N 73 118.085 118.085 119.113 -1.028 18732 2221 1 7 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.292 0.334 18732 2222 1 7 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.366 -3.036 18732 2223 1 7 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.343 -2.764 18732 2224 1 7 . 1 1 74 74 SER N N 74 113.942 113.942 112.094 1.848 18732 2225 1 7 . 1 1 74 74 SER HA H 74 4.506 4.506 4.605 -0.099 18732 2226 1 7 . 1 1 74 74 SER CA C 74 56.253 56.253 58.323 -2.070 18732 2227 1 7 . 1 1 74 74 SER CB C 74 62.670 62.670 63.678 -1.008 18732 2228 1 7 . 1 1 75 75 GLN N N 75 115.717 115.717 118.591 -2.874 18732 2229 1 7 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.492 -0.248 18732 2230 1 7 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.667 -2.095 18732 2231 1 7 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.605 -2.982 18732 2232 1 7 . 1 1 76 76 LYS N N 76 119.205 119.205 121.066 -1.861 18732 2233 1 7 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.582 -0.138 18732 2234 1 7 . 1 1 76 76 LYS CA C 76 54.013 54.013 55.580 -1.567 18732 2235 1 7 . 1 1 76 76 LYS CB C 76 31.375 31.375 34.363 -2.988 18732 2236 1 7 . 1 1 77 77 VAL N N 77 125.587 125.587 124.473 1.114 18732 2237 1 7 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.074 -0.070 18732 2238 1 7 . 1 1 77 77 VAL CA C 77 61.558 61.558 63.038 -1.480 18732 2239 1 7 . 1 1 77 77 VAL CB C 77 30.401 30.401 33.033 -2.632 18732 2240 1 7 . 1 1 78 78 ASN N N 78 126.604 126.604 127.546 -0.942 18732 2241 1 7 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.860 0.090 18732 2242 1 7 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.670 -3.093 18732 2243 1 7 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.642 -2.281 18732 2244 1 7 . 1 1 79 79 LYS N N 79 118.463 118.463 118.775 -0.312 18732 2245 1 7 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.762 -0.144 18732 2246 1 7 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.480 -1.908 18732 2247 1 7 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.906 -3.377 18732 2248 1 7 . 1 1 80 80 ILE N N 80 123.294 123.294 118.712 4.582 18732 2249 1 7 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.089 -0.018 18732 2250 1 7 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.885 -2.189 18732 2251 1 7 . 1 1 80 80 ILE CB C 80 38.260 38.260 41.058 -2.798 18732 2252 1 7 . 1 1 81 81 ALA N N 81 130.466 130.466 127.153 3.313 18732 2253 1 7 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.778 0.258 18732 2254 1 7 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.006 -2.784 18732 2255 1 7 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.343 -2.269 18732 2256 1 7 . 1 1 82 82 ILE N N 82 122.249 122.249 118.554 3.695 18732 2257 1 7 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.641 0.601 18732 2258 1 7 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.728 -2.053 18732 2259 1 7 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.969 -4.177 18732 2260 1 7 . 1 1 83 83 LEU N N 83 129.605 129.605 125.746 3.859 18732 2261 1 7 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.893 0.061 18732 2262 1 7 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.908 -2.576 18732 2263 1 7 . 1 1 83 83 LEU CB C 83 43.475 43.475 45.428 -1.953 18732 2264 1 7 . 1 1 84 84 GLU N N 84 125.594 125.594 125.589 0.005 18732 2265 1 7 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.668 0.044 18732 2266 1 7 . 1 1 84 84 GLU CA C 84 54.390 54.390 56.768 -2.378 18732 2267 1 7 . 1 1 84 84 GLU CB C 84 28.122 28.122 31.022 -2.900 18732 2268 1 7 . 1 1 85 85 GLU N N 85 123.904 123.904 127.670 -3.766 18732 2269 1 7 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.304 0.125 18732 2270 1 7 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.208 -2.312 18732 2271 1 7 . 1 1 85 85 GLU CB C 85 28.642 28.642 31.114 -2.472 18732 2272 1 7 . 1 1 86 86 TYR N N 86 123.323 123.323 121.383 1.940 18732 2273 1 7 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.926 -0.205 18732 2274 1 7 . 1 1 86 86 TYR CA C 86 53.909 53.909 57.005 -3.095 18732 2275 1 7 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.523 -2.927 18732 2276 1 8 . 1 1 2 2 GLU N N 2 120.598 120.598 122.157 -1.559 18732 2277 1 8 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.449 -1.484 18732 2278 1 8 . 1 1 2 2 GLU CB C 2 27.978 27.978 31.639 -3.660 18732 2279 1 8 . 1 1 3 3 GLU N N 3 120.984 120.984 122.060 -1.076 18732 2280 1 8 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.206 -0.008 18732 2281 1 8 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.477 2.558 18732 2282 1 8 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.157 0.111 18732 2283 1 8 . 1 1 4 4 THR N N 4 117.936 117.936 111.332 6.604 18732 2284 1 8 . 1 1 4 4 THR HA H 4 4.665 4.665 4.514 0.151 18732 2285 1 8 . 1 1 4 4 THR CA C 4 57.307 57.307 58.483 -1.176 18732 2286 1 8 . 1 1 4 4 THR CB C 4 67.215 67.215 69.025 -1.810 18732 2287 1 8 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.105 -2.365 18732 2288 1 8 . 1 1 5 5 PRO CB C 5 29.700 29.700 30.501 -0.801 18732 2289 1 8 . 1 1 6 6 LEU N N 6 122.097 122.097 121.653 0.444 18732 2290 1 8 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.921 -0.540 18732 2291 1 8 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.421 -1.406 18732 2292 1 8 . 1 1 6 6 LEU CB C 6 40.054 40.054 42.498 -2.443 18732 2293 1 8 . 1 1 8 8 THR N N 8 116.987 116.987 116.252 0.735 18732 2294 1 8 . 1 1 8 8 THR HA H 8 4.348 4.348 4.310 0.038 18732 2295 1 8 . 1 1 8 8 THR CA C 8 59.340 59.340 62.189 -2.849 18732 2296 1 8 . 1 1 8 8 THR CB C 8 67.234 67.234 69.522 -2.288 18732 2297 1 8 . 1 1 9 9 ALA N N 9 125.944 125.944 125.646 0.298 18732 2298 1 8 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.256 0.118 18732 2299 1 8 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.250 -2.241 18732 2300 1 8 . 1 1 9 9 ALA CB C 9 16.807 16.807 19.316 -2.509 18732 2301 1 8 . 1 1 10 10 ARG N N 10 119.637 119.637 119.023 0.614 18732 2302 1 8 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.362 -0.039 18732 2303 1 8 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.498 -1.966 18732 2304 1 8 . 1 1 10 10 ARG CB C 10 28.492 28.492 30.548 -2.056 18732 2305 1 8 . 1 1 11 11 HIS N N 11 119.667 119.667 118.095 1.572 18732 2306 1 8 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.310 0.407 18732 2307 1 8 . 1 1 11 11 HIS CA C 11 52.790 52.790 56.167 -3.377 18732 2308 1 8 . 1 1 11 11 HIS CB C 11 27.033 27.033 28.464 -1.431 18732 2309 1 8 . 1 1 12 12 MET N N 12 122.280 122.280 119.907 2.373 18732 2310 1 8 . 1 1 12 12 MET HA H 12 4.543 4.543 4.495 0.048 18732 2311 1 8 . 1 1 12 12 MET CA C 12 53.058 53.058 55.742 -2.684 18732 2312 1 8 . 1 1 12 12 MET CB C 12 29.647 29.647 33.245 -3.598 18732 2313 1 8 . 1 1 13 13 SER N N 13 118.363 118.363 115.192 3.171 18732 2314 1 8 . 1 1 13 13 SER HA H 13 4.515 4.515 4.387 0.128 18732 2315 1 8 . 1 1 13 13 SER CA C 13 55.083 55.083 59.009 -3.926 18732 2316 1 8 . 1 1 13 13 SER CB C 13 62.243 62.243 64.246 -2.003 18732 2317 1 8 . 1 1 14 14 LYS N N 14 123.039 123.039 120.057 2.982 18732 2318 1 8 . 1 1 14 14 LYS HA H 14 3.926 3.926 4.086 -0.160 18732 2319 1 8 . 1 1 14 14 LYS CA C 14 55.880 55.880 57.474 -1.594 18732 2320 1 8 . 1 1 14 14 LYS CB C 14 29.495 29.495 32.392 -2.897 18732 2321 1 8 . 1 1 15 15 TRP N N 15 118.585 118.585 118.764 -0.179 18732 2322 1 8 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.853 -0.474 18732 2323 1 8 . 1 1 15 15 TRP CA C 15 55.569 55.569 57.441 -1.872 18732 2324 1 8 . 1 1 15 15 TRP CB C 15 27.426 27.426 30.652 -3.226 18732 2325 1 8 . 1 1 16 16 GLU N N 16 119.418 119.418 121.224 -1.806 18732 2326 1 8 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.125 -0.149 18732 2327 1 8 . 1 1 16 16 GLU CA C 16 56.540 56.540 58.504 -1.964 18732 2328 1 8 . 1 1 16 16 GLU CB C 16 27.787 27.787 27.731 0.056 18732 2329 1 8 . 1 1 17 17 GLU N N 17 117.377 117.377 118.974 -1.597 18732 2330 1 8 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.028 -0.118 18732 2331 1 8 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.422 -2.523 18732 2332 1 8 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.145 -2.292 18732 2333 1 8 . 1 1 18 18 ILE N N 18 119.807 119.807 119.792 0.015 18732 2334 1 8 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.674 -0.006 18732 2335 1 8 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.484 -2.739 18732 2336 1 8 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.707 -2.044 18732 2337 1 8 . 1 1 19 19 ALA N N 19 121.744 121.744 122.299 -0.555 18732 2338 1 8 . 1 1 19 19 ALA HA H 19 3.955 3.955 3.972 -0.017 18732 2339 1 8 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.334 -1.891 18732 2340 1 8 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.131 -2.857 18732 2341 1 8 . 1 1 20 20 VAL N N 20 115.918 115.918 118.122 -2.204 18732 2342 1 8 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.538 -0.139 18732 2343 1 8 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.491 -2.162 18732 2344 1 8 . 1 1 20 20 VAL CB C 20 29.404 29.404 30.913 -1.509 18732 2345 1 8 . 1 1 21 21 LYS N N 21 119.785 119.785 120.189 -0.404 18732 2346 1 8 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.910 0.011 18732 2347 1 8 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.271 -2.829 18732 2348 1 8 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.199 1.313 18732 2349 1 8 . 1 1 22 22 GLU N N 22 118.955 118.955 118.879 0.076 18732 2350 1 8 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.100 -0.031 18732 2351 1 8 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.284 -3.023 18732 2352 1 8 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.418 -3.321 18732 2353 1 8 . 1 1 23 23 ALA N N 23 122.253 122.253 119.910 2.343 18732 2354 1 8 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.276 -0.175 18732 2355 1 8 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.614 -1.388 18732 2356 1 8 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.659 -3.150 18732 2357 1 8 . 1 1 24 24 LYS N N 24 116.889 116.889 116.031 0.858 18732 2358 1 8 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.273 -0.254 18732 2359 1 8 . 1 1 24 24 LYS CA C 24 55.745 55.745 58.411 -2.666 18732 2360 1 8 . 1 1 24 24 LYS CB C 24 29.185 29.185 32.949 -3.764 18732 2361 1 8 . 1 1 25 25 LYS N N 25 117.772 117.772 119.945 -2.173 18732 2362 1 8 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.305 -0.282 18732 2363 1 8 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.323 -1.983 18732 2364 1 8 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.085 -1.883 18732 2365 1 8 . 1 1 26 26 ARG N N 26 117.176 117.176 119.380 -2.204 18732 2366 1 8 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.110 -0.053 18732 2367 1 8 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.351 -3.360 18732 2368 1 8 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.786 -2.752 18732 2369 1 8 . 1 1 27 27 TYR N N 27 117.344 117.344 118.817 -1.473 18732 2370 1 8 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.981 0.101 18732 2371 1 8 . 1 1 27 27 TYR CA C 27 52.558 52.558 54.815 -2.257 18732 2372 1 8 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.606 -2.619 18732 2373 1 8 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.387 0.362 18732 2374 1 8 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.520 -2.127 18732 2375 1 8 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.417 -2.562 18732 2376 1 8 . 1 1 29 29 LEU N N 29 117.758 117.758 118.586 -0.828 18732 2377 1 8 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.590 -0.001 18732 2378 1 8 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.487 -2.913 18732 2379 1 8 . 1 1 29 29 LEU CB C 29 38.890 38.890 40.985 -2.095 18732 2380 1 8 . 1 1 30 30 ALA N N 30 122.493 122.493 121.536 0.957 18732 2381 1 8 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.910 -0.059 18732 2382 1 8 . 1 1 30 30 ALA CA C 30 48.855 48.855 51.746 -2.891 18732 2383 1 8 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.317 -2.649 18732 2384 1 8 . 1 1 31 31 GLN N N 31 118.936 118.936 119.654 -0.718 18732 2385 1 8 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.729 -0.090 18732 2386 1 8 . 1 1 31 31 GLN CA C 31 51.271 51.271 53.570 -2.299 18732 2387 1 8 . 1 1 31 31 GLN CB C 31 28.843 28.843 30.475 -1.632 18732 2388 1 8 . 1 1 32 32 VAL N N 32 123.815 123.815 122.697 1.118 18732 2389 1 8 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.221 0.444 18732 2390 1 8 . 1 1 32 32 VAL CA C 32 60.265 60.265 63.012 -2.747 18732 2391 1 8 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.077 -3.199 18732 2392 1 8 . 1 1 33 33 LEU N N 33 128.709 128.709 118.844 9.865 18732 2393 1 8 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.672 -0.430 18732 2394 1 8 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.521 -1.138 18732 2395 1 8 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.951 -1.828 18732 2396 1 8 . 1 1 34 34 PHE N N 34 114.779 114.779 119.548 -4.769 18732 2397 1 8 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.788 -0.882 18732 2398 1 8 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.014 -3.099 18732 2399 1 8 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.733 -3.080 18732 2400 1 8 . 1 1 35 35 LYS N N 35 120.077 120.077 122.143 -2.066 18732 2401 1 8 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.679 0.559 18732 2402 1 8 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.746 -3.449 18732 2403 1 8 . 1 1 35 35 LYS CB C 35 32.998 32.998 33.877 -0.878 18732 2404 1 8 . 1 1 36 36 GLN N N 36 119.491 119.491 122.275 -2.784 18732 2405 1 8 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.860 0.376 18732 2406 1 8 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.408 -2.211 18732 2407 1 8 . 1 1 36 36 GLN CB C 36 30.609 30.609 32.760 -2.151 18732 2408 1 8 . 1 1 37 37 LYS N N 37 128.471 128.471 122.457 6.014 18732 2409 1 8 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.339 0.456 18732 2410 1 8 . 1 1 37 37 LYS CA C 37 54.661 54.661 56.207 -1.546 18732 2411 1 8 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.299 -2.026 18732 2412 1 8 . 1 1 38 38 VAL N N 38 125.112 125.112 120.843 4.269 18732 2413 1 8 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.423 -0.086 18732 2414 1 8 . 1 1 38 38 VAL CA C 38 60.252 60.252 62.303 -2.051 18732 2415 1 8 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.279 -2.559 18732 2416 1 8 . 1 1 39 39 TRP N N 39 123.085 123.085 121.003 2.082 18732 2417 1 8 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.774 0.075 18732 2418 1 8 . 1 1 39 39 TRP CA C 39 54.206 54.206 56.771 -2.565 18732 2419 1 8 . 1 1 39 39 TRP CB C 39 30.461 30.461 32.264 -1.803 18732 2420 1 8 . 1 1 40 40 ASP N N 40 123.000 123.000 119.391 3.609 18732 2421 1 8 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.585 0.543 18732 2422 1 8 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.509 -2.404 18732 2423 1 8 . 1 1 40 40 ASP CB C 40 41.077 41.077 41.652 -0.575 18732 2424 1 8 . 1 1 41 41 ARG N N 41 123.259 123.259 120.759 2.500 18732 2425 1 8 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.017 0.531 18732 2426 1 8 . 1 1 41 41 ARG CA C 41 52.623 52.623 56.803 -4.180 18732 2427 1 8 . 1 1 41 41 ARG CB C 41 31.417 31.417 30.402 1.015 18732 2428 1 8 . 1 1 42 42 LYS N N 42 124.798 124.798 118.868 5.930 18732 2429 1 8 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.379 0.309 18732 2430 1 8 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.771 -0.998 18732 2431 1 8 . 1 1 42 42 LYS CB C 42 31.787 31.787 33.998 -2.211 18732 2432 1 8 . 1 1 43 43 ARG N N 43 124.461 124.461 120.294 4.167 18732 2433 1 8 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.563 0.086 18732 2434 1 8 . 1 1 43 43 ARG CA C 43 52.179 52.179 53.352 -1.173 18732 2435 1 8 . 1 1 43 43 ARG CB C 43 30.149 30.149 30.904 -0.755 18732 2436 1 8 . 1 1 44 44 LYS N N 44 121.297 121.297 120.871 0.426 18732 2437 1 8 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.208 -0.185 18732 2438 1 8 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.695 -2.059 18732 2439 1 8 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.906 -2.794 18732 2440 1 8 . 1 1 45 45 ASP N N 45 115.145 115.145 119.211 -4.066 18732 2441 1 8 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.969 -0.219 18732 2442 1 8 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.461 -2.361 18732 2443 1 8 . 1 1 45 45 ASP CB C 45 38.693 38.693 40.131 -1.438 18732 2444 1 8 . 1 1 46 46 GLU N N 46 118.274 118.274 117.751 0.523 18732 2445 1 8 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.385 0.082 18732 2446 1 8 . 1 1 46 46 GLU CA C 46 53.722 53.722 56.810 -3.088 18732 2447 1 8 . 1 1 46 46 GLU CB C 46 30.070 30.070 32.838 -2.768 18732 2448 1 8 . 1 1 47 47 ALA N N 47 127.506 127.506 122.291 5.215 18732 2449 1 8 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.501 0.193 18732 2450 1 8 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.959 -2.851 18732 2451 1 8 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.157 -3.315 18732 2452 1 8 . 1 1 48 48 VAL N N 48 118.088 118.088 115.537 2.551 18732 2453 1 8 . 1 1 48 48 VAL HA H 48 5.345 5.345 5.149 0.196 18732 2454 1 8 . 1 1 48 48 VAL CA C 48 57.625 57.625 60.165 -2.540 18732 2455 1 8 . 1 1 48 48 VAL CB C 48 33.496 33.496 35.219 -1.723 18732 2456 1 8 . 1 1 49 49 LYS N N 49 124.725 124.725 124.448 0.277 18732 2457 1 8 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.713 0.644 18732 2458 1 8 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.544 -3.505 18732 2459 1 8 . 1 1 50 50 GLN N N 50 121.028 121.028 123.573 -2.545 18732 2460 1 8 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.647 0.339 18732 2461 1 8 . 1 1 50 50 GLN CA C 50 52.113 52.113 55.723 -3.610 18732 2462 1 8 . 1 1 50 50 GLN CB C 50 23.684 23.684 29.696 -6.012 18732 2463 1 8 . 1 1 51 51 TYR N N 51 124.549 124.549 123.186 1.363 18732 2464 1 8 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.789 0.429 18732 2465 1 8 . 1 1 51 51 TYR CA C 51 54.550 54.550 58.463 -3.913 18732 2466 1 8 . 1 1 51 51 TYR CB C 51 40.280 40.280 41.427 -1.147 18732 2467 1 8 . 1 1 52 52 HIS N N 52 121.301 121.301 119.884 1.417 18732 2468 1 8 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.171 0.048 18732 2469 1 8 . 1 1 52 52 HIS CA C 52 51.708 51.708 53.811 -2.103 18732 2470 1 8 . 1 1 52 52 HIS CB C 52 28.907 28.907 32.022 -3.115 18732 2471 1 8 . 1 1 53 53 LEU N N 53 127.743 127.743 125.524 2.219 18732 2472 1 8 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.852 0.356 18732 2473 1 8 . 1 1 53 53 LEU CA C 53 50.887 50.887 52.813 -1.926 18732 2474 1 8 . 1 1 53 53 LEU CB C 53 42.084 42.084 45.721 -3.638 18732 2475 1 8 . 1 1 54 54 THR N N 54 117.996 117.996 115.916 2.080 18732 2476 1 8 . 1 1 54 54 THR HA H 54 4.600 4.600 4.549 0.051 18732 2477 1 8 . 1 1 54 54 THR CA C 54 59.774 59.774 61.601 -1.827 18732 2478 1 8 . 1 1 54 54 THR CB C 54 67.153 67.153 70.622 -3.469 18732 2479 1 8 . 1 1 55 55 LEU N N 55 129.329 129.329 125.094 4.235 18732 2480 1 8 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.886 0.188 18732 2481 1 8 . 1 1 55 55 LEU CA C 55 50.769 50.769 52.912 -2.143 18732 2482 1 8 . 1 1 55 55 LEU CB C 55 42.090 42.090 42.511 -0.421 18732 2483 1 8 . 1 1 56 56 ARG N N 56 117.231 117.231 121.326 -4.095 18732 2484 1 8 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.754 0.603 18732 2485 1 8 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.838 -2.963 18732 2486 1 8 . 1 1 56 56 ARG CB C 56 31.945 31.945 32.693 -0.748 18732 2487 1 8 . 1 1 57 57 GLU N N 57 128.411 128.411 127.840 0.571 18732 2488 1 8 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.632 0.059 18732 2489 1 8 . 1 1 57 57 GLU CA C 57 52.864 52.864 54.169 -1.305 18732 2490 1 8 . 1 1 57 57 GLU CB C 57 29.942 29.942 31.137 -1.196 18732 2491 1 8 . 1 1 58 58 GLY N N 58 118.265 118.265 117.091 1.174 18732 2492 1 8 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.215 -2.272 18732 2493 1 8 . 1 1 59 59 SER N N 59 122.061 122.061 120.165 1.896 18732 2494 1 8 . 1 1 59 59 SER HA H 59 4.567 4.567 4.698 -0.131 18732 2495 1 8 . 1 1 59 59 SER CA C 59 55.730 55.730 58.161 -2.431 18732 2496 1 8 . 1 1 59 59 SER CB C 59 61.262 61.262 63.326 -2.064 18732 2497 1 8 . 1 1 60 60 LYS N N 60 124.154 124.154 122.552 1.602 18732 2498 1 8 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.649 -0.029 18732 2499 1 8 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.605 -2.161 18732 2500 1 8 . 1 1 60 60 LYS CB C 60 32.144 32.144 35.847 -3.703 18732 2501 1 8 . 1 1 61 61 GLU N N 61 125.701 125.701 122.445 3.256 18732 2502 1 8 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.315 0.199 18732 2503 1 8 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.211 -3.105 18732 2504 1 8 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.463 -2.923 18732 2505 1 8 . 1 1 62 62 PHE N N 62 121.360 121.360 120.072 1.288 18732 2506 1 8 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.966 0.080 18732 2507 1 8 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.986 -2.623 18732 2508 1 8 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.439 -3.640 18732 2509 1 8 . 1 1 63 63 GLY N N 63 107.546 107.546 108.770 -1.224 18732 2510 1 8 . 1 1 63 63 GLY CA C 63 41.632 41.632 44.059 -2.427 18732 2511 1 8 . 1 1 64 64 VAL N N 64 115.031 115.031 117.509 -2.478 18732 2512 1 8 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.740 0.280 18732 2513 1 8 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.602 -2.572 18732 2514 1 8 . 1 1 64 64 VAL CB C 64 34.152 34.152 34.986 -0.834 18732 2515 1 8 . 1 1 65 65 PHE N N 65 122.208 122.208 119.388 2.820 18732 2516 1 8 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.553 0.079 18732 2517 1 8 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.272 -2.272 18732 2518 1 8 . 1 1 65 65 PHE CB C 65 39.295 39.295 43.006 -3.711 18732 2519 1 8 . 1 1 66 66 VAL N N 66 123.832 123.832 119.063 4.769 18732 2520 1 8 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.567 0.590 18732 2521 1 8 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.346 -2.712 18732 2522 1 8 . 1 1 66 66 VAL CB C 66 32.312 32.312 35.044 -2.732 18732 2523 1 8 . 1 1 67 67 THR N N 67 125.293 125.293 122.196 3.097 18732 2524 1 8 . 1 1 67 67 THR CA C 67 57.150 57.150 62.413 -5.263 18732 2525 1 8 . 1 1 67 67 THR CB C 67 67.050 67.050 69.233 -2.183 18732 2526 1 8 . 1 1 68 68 ILE N N 68 128.624 128.624 128.726 -0.102 18732 2527 1 8 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.601 0.262 18732 2528 1 8 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.488 -2.255 18732 2529 1 8 . 1 1 68 68 ILE CB C 68 39.314 39.314 41.022 -1.708 18732 2530 1 8 . 1 1 69 69 SER N N 69 122.023 122.023 122.694 -0.671 18732 2531 1 8 . 1 1 69 69 SER HA H 69 5.804 5.804 5.523 0.281 18732 2532 1 8 . 1 1 69 69 SER CA C 69 53.530 53.530 56.939 -3.409 18732 2533 1 8 . 1 1 69 69 SER CB C 69 61.921 61.921 65.434 -3.513 18732 2534 1 8 . 1 1 70 70 PHE N N 70 123.800 123.800 120.578 3.222 18732 2535 1 8 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.502 -0.125 18732 2536 1 8 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.271 -2.128 18732 2537 1 8 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.446 -1.078 18732 2538 1 8 . 1 1 71 71 ASP N N 71 121.547 121.547 119.472 2.075 18732 2539 1 8 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.139 -0.040 18732 2540 1 8 . 1 1 71 71 ASP CA C 71 48.222 48.222 51.021 -2.799 18732 2541 1 8 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.238 -3.393 18732 2542 1 8 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.444 -0.079 18732 2543 1 8 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.244 -2.645 18732 2544 1 8 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.006 -2.340 18732 2545 1 8 . 1 1 73 73 TYR N N 73 118.085 118.085 119.806 -1.721 18732 2546 1 8 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.255 0.371 18732 2547 1 8 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.491 -3.161 18732 2548 1 8 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.364 -2.784 18732 2549 1 8 . 1 1 74 74 SER N N 74 113.942 113.942 110.787 3.155 18732 2550 1 8 . 1 1 74 74 SER HA H 74 4.506 4.506 4.638 -0.132 18732 2551 1 8 . 1 1 74 74 SER CA C 74 56.253 56.253 58.106 -1.853 18732 2552 1 8 . 1 1 74 74 SER CB C 74 62.670 62.670 63.740 -1.070 18732 2553 1 8 . 1 1 75 75 GLN N N 75 115.717 115.717 119.193 -3.476 18732 2554 1 8 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.497 -0.253 18732 2555 1 8 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.147 -1.575 18732 2556 1 8 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.806 -3.183 18732 2557 1 8 . 1 1 76 76 LYS N N 76 119.205 119.205 120.815 -1.610 18732 2558 1 8 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.412 0.032 18732 2559 1 8 . 1 1 76 76 LYS CA C 76 54.013 54.013 55.908 -1.895 18732 2560 1 8 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.370 -1.995 18732 2561 1 8 . 1 1 77 77 VAL N N 77 125.587 125.587 126.763 -1.176 18732 2562 1 8 . 1 1 77 77 VAL HA H 77 4.004 4.004 3.828 0.176 18732 2563 1 8 . 1 1 77 77 VAL CA C 77 61.558 61.558 63.961 -2.403 18732 2564 1 8 . 1 1 77 77 VAL CB C 77 30.401 30.401 30.939 -0.538 18732 2565 1 8 . 1 1 78 78 ASN N N 78 126.604 126.604 129.131 -2.527 18732 2566 1 8 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.800 0.150 18732 2567 1 8 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.805 -3.228 18732 2568 1 8 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.623 -2.262 18732 2569 1 8 . 1 1 79 79 LYS N N 79 118.463 118.463 117.857 0.606 18732 2570 1 8 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.759 -0.141 18732 2571 1 8 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.935 -2.363 18732 2572 1 8 . 1 1 79 79 LYS CB C 79 33.529 33.529 35.919 -2.390 18732 2573 1 8 . 1 1 80 80 ILE N N 80 123.294 123.294 120.358 2.936 18732 2574 1 8 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.185 -0.114 18732 2575 1 8 . 1 1 80 80 ILE CA C 80 57.696 57.696 60.356 -2.660 18732 2576 1 8 . 1 1 80 80 ILE CB C 80 38.260 38.260 42.091 -3.831 18732 2577 1 8 . 1 1 81 81 ALA N N 81 130.466 130.466 126.457 4.009 18732 2578 1 8 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.698 0.338 18732 2579 1 8 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.493 -3.271 18732 2580 1 8 . 1 1 81 81 ALA CB C 81 20.074 20.074 21.823 -1.749 18732 2581 1 8 . 1 1 82 82 ILE N N 82 122.249 122.249 119.136 3.113 18732 2582 1 8 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.739 0.503 18732 2583 1 8 . 1 1 82 82 ILE CA C 82 57.675 57.675 60.286 -2.611 18732 2584 1 8 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.687 -3.895 18732 2585 1 8 . 1 1 83 83 LEU N N 83 129.605 129.605 125.781 3.824 18732 2586 1 8 . 1 1 83 83 LEU HA H 83 4.954 4.954 5.045 -0.091 18732 2587 1 8 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.497 -2.165 18732 2588 1 8 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.284 -2.809 18732 2589 1 8 . 1 1 84 84 GLU N N 84 125.594 125.594 122.717 2.877 18732 2590 1 8 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.781 -0.069 18732 2591 1 8 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.051 -0.661 18732 2592 1 8 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.174 -5.052 18732 2593 1 8 . 1 1 85 85 GLU N N 85 123.904 123.904 123.289 0.615 18732 2594 1 8 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.323 0.106 18732 2595 1 8 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.009 -2.113 18732 2596 1 8 . 1 1 85 85 GLU CB C 85 28.642 28.642 30.674 -2.032 18732 2597 1 8 . 1 1 86 86 TYR N N 86 123.323 123.323 118.873 4.450 18732 2598 1 8 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.746 -0.025 18732 2599 1 8 . 1 1 86 86 TYR CA C 86 53.909 53.909 57.540 -3.631 18732 2600 1 8 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.711 -3.115 18732 2601 1 9 . 1 1 2 2 GLU N N 2 120.598 120.598 120.579 0.019 18732 2602 1 9 . 1 1 2 2 GLU CA C 2 53.965 53.965 56.538 -2.573 18732 2603 1 9 . 1 1 2 2 GLU CB C 2 27.978 27.978 29.924 -1.946 18732 2604 1 9 . 1 1 3 3 GLU N N 3 120.984 120.984 117.496 3.488 18732 2605 1 9 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.317 -0.119 18732 2606 1 9 . 1 1 3 3 GLU CA C 3 60.035 60.035 56.300 3.735 18732 2607 1 9 . 1 1 3 3 GLU CB C 3 30.268 30.268 32.134 -1.866 18732 2608 1 9 . 1 1 4 4 THR N N 4 117.936 117.936 110.543 7.393 18732 2609 1 9 . 1 1 4 4 THR HA H 4 4.665 4.665 4.436 0.229 18732 2610 1 9 . 1 1 4 4 THR CA C 4 57.307 57.307 59.175 -1.868 18732 2611 1 9 . 1 1 4 4 THR CB C 4 67.215 67.215 70.017 -2.803 18732 2612 1 9 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.700 -2.960 18732 2613 1 9 . 1 1 5 5 PRO CB C 5 29.700 29.700 31.979 -2.279 18732 2614 1 9 . 1 1 6 6 LEU N N 6 122.097 122.097 114.583 7.514 18732 2615 1 9 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.763 -0.382 18732 2616 1 9 . 1 1 6 6 LEU CA C 6 53.015 53.015 53.713 -0.698 18732 2617 1 9 . 1 1 6 6 LEU CB C 6 40.054 40.054 41.865 -1.811 18732 2618 1 9 . 1 1 8 8 THR N N 8 116.987 116.987 115.526 1.461 18732 2619 1 9 . 1 1 8 8 THR HA H 8 4.348 4.348 4.451 -0.103 18732 2620 1 9 . 1 1 8 8 THR CA C 8 59.340 59.340 61.971 -2.631 18732 2621 1 9 . 1 1 8 8 THR CB C 8 67.234 67.234 69.145 -1.911 18732 2622 1 9 . 1 1 9 9 ALA N N 9 125.944 125.944 127.896 -1.952 18732 2623 1 9 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.648 -0.274 18732 2624 1 9 . 1 1 9 9 ALA CA C 9 50.009 50.009 51.931 -1.922 18732 2625 1 9 . 1 1 9 9 ALA CB C 9 16.807 16.807 20.670 -3.863 18732 2626 1 9 . 1 1 10 10 ARG N N 10 119.637 119.637 119.911 -0.274 18732 2627 1 9 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.561 -0.238 18732 2628 1 9 . 1 1 10 10 ARG CA C 10 53.532 53.532 54.947 -1.415 18732 2629 1 9 . 1 1 10 10 ARG CB C 10 28.492 28.492 31.231 -2.739 18732 2630 1 9 . 1 1 11 11 HIS N N 11 119.667 119.667 117.823 1.844 18732 2631 1 9 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.366 0.351 18732 2632 1 9 . 1 1 11 11 HIS CA C 11 52.790 52.790 56.651 -3.861 18732 2633 1 9 . 1 1 11 11 HIS CB C 11 27.033 27.033 30.059 -3.026 18732 2634 1 9 . 1 1 12 12 MET N N 12 122.280 122.280 119.045 3.235 18732 2635 1 9 . 1 1 12 12 MET HA H 12 4.543 4.543 4.697 -0.154 18732 2636 1 9 . 1 1 12 12 MET CA C 12 53.058 53.058 54.225 -1.167 18732 2637 1 9 . 1 1 12 12 MET CB C 12 29.647 29.647 34.288 -4.641 18732 2638 1 9 . 1 1 13 13 SER N N 13 118.363 118.363 115.304 3.059 18732 2639 1 9 . 1 1 13 13 SER HA H 13 4.515 4.515 4.505 0.010 18732 2640 1 9 . 1 1 13 13 SER CA C 13 55.083 55.083 59.333 -4.250 18732 2641 1 9 . 1 1 13 13 SER CB C 13 62.243 62.243 64.170 -1.927 18732 2642 1 9 . 1 1 14 14 LYS N N 14 123.039 123.039 120.898 2.141 18732 2643 1 9 . 1 1 14 14 LYS HA H 14 3.926 3.926 4.225 -0.299 18732 2644 1 9 . 1 1 14 14 LYS CA C 14 55.880 55.880 57.028 -1.148 18732 2645 1 9 . 1 1 14 14 LYS CB C 14 29.495 29.495 33.050 -3.555 18732 2646 1 9 . 1 1 15 15 TRP N N 15 118.585 118.585 119.158 -0.573 18732 2647 1 9 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.947 -0.568 18732 2648 1 9 . 1 1 15 15 TRP CA C 15 55.569 55.569 57.383 -1.814 18732 2649 1 9 . 1 1 15 15 TRP CB C 15 27.426 27.426 31.147 -3.721 18732 2650 1 9 . 1 1 16 16 GLU N N 16 119.418 119.418 120.470 -1.052 18732 2651 1 9 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.072 -0.096 18732 2652 1 9 . 1 1 16 16 GLU CA C 16 56.540 56.540 58.713 -2.173 18732 2653 1 9 . 1 1 16 16 GLU CB C 16 27.787 27.787 28.076 -0.289 18732 2654 1 9 . 1 1 17 17 GLU N N 17 117.377 117.377 120.249 -2.872 18732 2655 1 9 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.017 -0.107 18732 2656 1 9 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.264 -2.366 18732 2657 1 9 . 1 1 17 17 GLU CB C 17 26.853 26.853 28.844 -1.991 18732 2658 1 9 . 1 1 18 18 ILE N N 18 119.807 119.807 119.632 0.175 18732 2659 1 9 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.758 -0.090 18732 2660 1 9 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.147 -2.402 18732 2661 1 9 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.838 -2.175 18732 2662 1 9 . 1 1 19 19 ALA N N 19 121.744 121.744 121.555 0.189 18732 2663 1 9 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.048 -0.093 18732 2664 1 9 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.316 -1.873 18732 2665 1 9 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.328 -3.054 18732 2666 1 9 . 1 1 20 20 VAL N N 20 115.918 115.918 118.663 -2.745 18732 2667 1 9 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.603 -0.204 18732 2668 1 9 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.466 -2.137 18732 2669 1 9 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.261 -1.857 18732 2670 1 9 . 1 1 21 21 LYS N N 21 119.785 119.785 119.517 0.268 18732 2671 1 9 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.961 -0.040 18732 2672 1 9 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.015 -2.573 18732 2673 1 9 . 1 1 21 21 LYS CB C 21 33.512 33.512 31.792 1.720 18732 2674 1 9 . 1 1 22 22 GLU N N 22 118.955 118.955 119.825 -0.870 18732 2675 1 9 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.122 -0.053 18732 2676 1 9 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.333 -3.072 18732 2677 1 9 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.389 -3.292 18732 2678 1 9 . 1 1 23 23 ALA N N 23 122.253 122.253 121.425 0.828 18732 2679 1 9 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.326 -0.225 18732 2680 1 9 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.852 -1.625 18732 2681 1 9 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.605 -3.096 18732 2682 1 9 . 1 1 24 24 LYS N N 24 116.889 116.889 115.818 1.071 18732 2683 1 9 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.350 -0.331 18732 2684 1 9 . 1 1 24 24 LYS CA C 24 55.745 55.745 57.181 -1.436 18732 2685 1 9 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.093 -3.908 18732 2686 1 9 . 1 1 25 25 LYS N N 25 117.772 117.772 118.237 -0.465 18732 2687 1 9 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.390 -0.367 18732 2688 1 9 . 1 1 25 25 LYS CA C 25 56.340 56.340 57.605 -1.265 18732 2689 1 9 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.731 -2.529 18732 2690 1 9 . 1 1 26 26 ARG N N 26 117.176 117.176 120.477 -3.301 18732 2691 1 9 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.180 -0.123 18732 2692 1 9 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.676 -3.685 18732 2693 1 9 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.538 -2.504 18732 2694 1 9 . 1 1 27 27 TYR N N 27 117.344 117.344 116.877 0.467 18732 2695 1 9 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.926 0.156 18732 2696 1 9 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.143 -2.585 18732 2697 1 9 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.437 -2.450 18732 2698 1 9 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.443 0.306 18732 2699 1 9 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.866 -2.473 18732 2700 1 9 . 1 1 28 28 PRO CB C 28 29.855 29.855 31.949 -2.094 18732 2701 1 9 . 1 1 29 29 LEU N N 29 117.758 117.758 117.685 0.073 18732 2702 1 9 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.658 -0.069 18732 2703 1 9 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.013 -2.439 18732 2704 1 9 . 1 1 29 29 LEU CB C 29 38.890 38.890 42.261 -3.371 18732 2705 1 9 . 1 1 30 30 ALA N N 30 122.493 122.493 118.892 3.601 18732 2706 1 9 . 1 1 30 30 ALA HA H 30 4.851 4.851 5.089 -0.238 18732 2707 1 9 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.689 -1.834 18732 2708 1 9 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.032 -2.364 18732 2709 1 9 . 1 1 31 31 GLN N N 31 118.936 118.936 118.633 0.303 18732 2710 1 9 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.704 -0.065 18732 2711 1 9 . 1 1 31 31 GLN CA C 31 51.271 51.271 53.698 -2.427 18732 2712 1 9 . 1 1 31 31 GLN CB C 31 28.843 28.843 31.748 -2.905 18732 2713 1 9 . 1 1 32 32 VAL N N 32 123.815 123.815 122.566 1.249 18732 2714 1 9 . 1 1 32 32 VAL HA H 32 4.665 4.665 3.926 0.739 18732 2715 1 9 . 1 1 32 32 VAL CA C 32 60.265 60.265 62.659 -2.394 18732 2716 1 9 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.100 -3.222 18732 2717 1 9 . 1 1 33 33 LEU N N 33 128.709 128.709 119.978 8.731 18732 2718 1 9 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.609 -0.367 18732 2719 1 9 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.909 -1.526 18732 2720 1 9 . 1 1 33 33 LEU CB C 33 41.123 41.123 43.074 -1.951 18732 2721 1 9 . 1 1 34 34 PHE N N 34 114.779 114.779 119.546 -4.767 18732 2722 1 9 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.655 -0.749 18732 2723 1 9 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.323 -3.408 18732 2724 1 9 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.158 -2.505 18732 2725 1 9 . 1 1 35 35 LYS N N 35 120.077 120.077 125.446 -5.369 18732 2726 1 9 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.601 0.637 18732 2727 1 9 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.597 -3.300 18732 2728 1 9 . 1 1 35 35 LYS CB C 35 32.998 32.998 33.270 -0.272 18732 2729 1 9 . 1 1 36 36 GLN N N 36 119.491 119.491 122.839 -3.348 18732 2730 1 9 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.891 0.345 18732 2731 1 9 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.248 -2.051 18732 2732 1 9 . 1 1 36 36 GLN CB C 36 30.609 30.609 33.180 -2.571 18732 2733 1 9 . 1 1 37 37 LYS N N 37 128.471 128.471 120.330 8.141 18732 2734 1 9 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.809 -0.014 18732 2735 1 9 . 1 1 37 37 LYS CA C 37 54.661 54.661 55.832 -1.171 18732 2736 1 9 . 1 1 37 37 LYS CB C 37 31.273 31.273 32.002 -0.729 18732 2737 1 9 . 1 1 38 38 VAL N N 38 125.112 125.112 120.688 4.424 18732 2738 1 9 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.206 0.131 18732 2739 1 9 . 1 1 38 38 VAL CA C 38 60.252 60.252 63.945 -3.693 18732 2740 1 9 . 1 1 38 38 VAL CB C 38 30.720 30.720 29.821 0.899 18732 2741 1 9 . 1 1 39 39 TRP N N 39 123.085 123.085 121.844 1.241 18732 2742 1 9 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.748 0.101 18732 2743 1 9 . 1 1 39 39 TRP CA C 39 54.206 54.206 57.308 -3.102 18732 2744 1 9 . 1 1 39 39 TRP CB C 39 30.461 30.461 32.615 -2.154 18732 2745 1 9 . 1 1 40 40 ASP N N 40 123.000 123.000 123.397 -0.397 18732 2746 1 9 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.672 0.456 18732 2747 1 9 . 1 1 40 40 ASP CA C 40 51.105 51.105 54.155 -3.050 18732 2748 1 9 . 1 1 40 40 ASP CB C 40 41.077 41.077 41.972 -0.895 18732 2749 1 9 . 1 1 41 41 ARG N N 41 123.259 123.259 123.821 -0.562 18732 2750 1 9 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.414 0.134 18732 2751 1 9 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.654 -2.031 18732 2752 1 9 . 1 1 41 41 ARG CB C 41 31.417 31.417 32.732 -1.315 18732 2753 1 9 . 1 1 42 42 LYS N N 42 124.798 124.798 120.681 4.117 18732 2754 1 9 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.411 0.277 18732 2755 1 9 . 1 1 42 42 LYS CA C 42 53.773 53.773 55.486 -1.714 18732 2756 1 9 . 1 1 42 42 LYS CB C 42 31.787 31.787 35.169 -3.382 18732 2757 1 9 . 1 1 43 43 ARG N N 43 124.461 124.461 119.177 5.284 18732 2758 1 9 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.610 0.039 18732 2759 1 9 . 1 1 43 43 ARG CA C 43 52.179 52.179 55.522 -3.343 18732 2760 1 9 . 1 1 43 43 ARG CB C 43 30.149 30.149 32.796 -2.647 18732 2761 1 9 . 1 1 44 44 LYS N N 44 121.297 121.297 120.765 0.532 18732 2762 1 9 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.123 -0.100 18732 2763 1 9 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.916 -2.280 18732 2764 1 9 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.506 -2.394 18732 2765 1 9 . 1 1 45 45 ASP N N 45 115.145 115.145 115.954 -0.809 18732 2766 1 9 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.892 -0.142 18732 2767 1 9 . 1 1 45 45 ASP CA C 45 51.100 51.100 54.196 -3.096 18732 2768 1 9 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.923 -3.230 18732 2769 1 9 . 1 1 46 46 GLU N N 46 118.274 118.274 116.626 1.648 18732 2770 1 9 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.548 -0.081 18732 2771 1 9 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.014 -1.292 18732 2772 1 9 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.375 -3.305 18732 2773 1 9 . 1 1 47 47 ALA N N 47 127.506 127.506 120.674 6.832 18732 2774 1 9 . 1 1 47 47 ALA HA H 47 4.694 4.694 5.022 -0.328 18732 2775 1 9 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.340 -2.232 18732 2776 1 9 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.143 -3.301 18732 2777 1 9 . 1 1 48 48 VAL N N 48 118.088 118.088 112.745 5.343 18732 2778 1 9 . 1 1 48 48 VAL HA H 48 5.345 5.345 5.132 0.213 18732 2779 1 9 . 1 1 48 48 VAL CA C 48 57.625 57.625 60.900 -3.275 18732 2780 1 9 . 1 1 48 48 VAL CB C 48 33.496 33.496 35.326 -1.830 18732 2781 1 9 . 1 1 49 49 LYS N N 49 124.725 124.725 125.962 -1.237 18732 2782 1 9 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.725 0.632 18732 2783 1 9 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.525 -3.486 18732 2784 1 9 . 1 1 50 50 GLN N N 50 121.028 121.028 121.108 -0.080 18732 2785 1 9 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.733 0.253 18732 2786 1 9 . 1 1 50 50 GLN CA C 50 52.113 52.113 56.121 -4.008 18732 2787 1 9 . 1 1 50 50 GLN CB C 50 23.684 23.684 30.118 -6.434 18732 2788 1 9 . 1 1 51 51 TYR N N 51 124.549 124.549 116.472 8.077 18732 2789 1 9 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.908 0.310 18732 2790 1 9 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.102 -2.552 18732 2791 1 9 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.553 -2.272 18732 2792 1 9 . 1 1 52 52 HIS N N 52 121.301 121.301 121.671 -0.370 18732 2793 1 9 . 1 1 52 52 HIS HA H 52 5.219 5.219 4.996 0.223 18732 2794 1 9 . 1 1 52 52 HIS CA C 52 51.708 51.708 53.777 -2.069 18732 2795 1 9 . 1 1 52 52 HIS CB C 52 28.907 28.907 31.257 -2.350 18732 2796 1 9 . 1 1 53 53 LEU N N 53 127.743 127.743 127.588 0.155 18732 2797 1 9 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.780 0.428 18732 2798 1 9 . 1 1 53 53 LEU CA C 53 50.887 50.887 54.230 -3.343 18732 2799 1 9 . 1 1 53 53 LEU CB C 53 42.084 42.084 45.478 -3.394 18732 2800 1 9 . 1 1 54 54 THR N N 54 117.996 117.996 118.411 -0.415 18732 2801 1 9 . 1 1 54 54 THR HA H 54 4.600 4.600 4.618 -0.018 18732 2802 1 9 . 1 1 54 54 THR CA C 54 59.774 59.774 61.988 -2.214 18732 2803 1 9 . 1 1 54 54 THR CB C 54 67.153 67.153 68.915 -1.762 18732 2804 1 9 . 1 1 55 55 LEU N N 55 129.329 129.329 126.450 2.879 18732 2805 1 9 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.602 0.472 18732 2806 1 9 . 1 1 55 55 LEU CA C 55 50.769 50.769 54.144 -3.375 18732 2807 1 9 . 1 1 55 55 LEU CB C 55 42.090 42.090 42.259 -0.169 18732 2808 1 9 . 1 1 56 56 ARG N N 56 117.231 117.231 120.509 -3.278 18732 2809 1 9 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.755 0.602 18732 2810 1 9 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.815 -2.940 18732 2811 1 9 . 1 1 56 56 ARG CB C 56 31.945 31.945 32.743 -0.798 18732 2812 1 9 . 1 1 57 57 GLU N N 57 128.411 128.411 128.927 -0.516 18732 2813 1 9 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.950 -0.259 18732 2814 1 9 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.435 -2.571 18732 2815 1 9 . 1 1 57 57 GLU CB C 57 29.942 29.942 31.829 -1.887 18732 2816 1 9 . 1 1 58 58 GLY N N 58 118.265 118.265 116.436 1.829 18732 2817 1 9 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.270 -2.327 18732 2818 1 9 . 1 1 59 59 SER N N 59 122.061 122.061 119.514 2.547 18732 2819 1 9 . 1 1 59 59 SER HA H 59 4.567 4.567 4.601 -0.034 18732 2820 1 9 . 1 1 59 59 SER CA C 59 55.730 55.730 57.734 -2.004 18732 2821 1 9 . 1 1 59 59 SER CB C 59 61.262 61.262 64.387 -3.125 18732 2822 1 9 . 1 1 60 60 LYS N N 60 124.154 124.154 124.075 0.079 18732 2823 1 9 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.384 0.236 18732 2824 1 9 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.874 -2.430 18732 2825 1 9 . 1 1 60 60 LYS CB C 60 32.144 32.144 33.896 -1.752 18732 2826 1 9 . 1 1 61 61 GLU N N 61 125.701 125.701 121.072 4.629 18732 2827 1 9 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.292 0.222 18732 2828 1 9 . 1 1 61 61 GLU CA C 61 52.106 52.106 54.999 -2.893 18732 2829 1 9 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.764 -3.224 18732 2830 1 9 . 1 1 62 62 PHE N N 62 121.360 121.360 117.770 3.590 18732 2831 1 9 . 1 1 62 62 PHE HA H 62 5.046 5.046 5.017 0.029 18732 2832 1 9 . 1 1 62 62 PHE CA C 62 53.363 53.363 56.203 -2.840 18732 2833 1 9 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.905 -4.106 18732 2834 1 9 . 1 1 63 63 GLY N N 63 107.546 107.546 107.300 0.246 18732 2835 1 9 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.835 -2.203 18732 2836 1 9 . 1 1 64 64 VAL N N 64 115.031 115.031 116.352 -1.321 18732 2837 1 9 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.720 0.300 18732 2838 1 9 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.483 -2.453 18732 2839 1 9 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.648 -1.496 18732 2840 1 9 . 1 1 65 65 PHE N N 65 122.208 122.208 122.897 -0.689 18732 2841 1 9 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.337 0.295 18732 2842 1 9 . 1 1 65 65 PHE CA C 65 54.000 54.000 55.625 -1.625 18732 2843 1 9 . 1 1 65 65 PHE CB C 65 39.295 39.295 40.023 -0.728 18732 2844 1 9 . 1 1 66 66 VAL N N 66 123.832 123.832 124.225 -0.393 18732 2845 1 9 . 1 1 66 66 VAL HA H 66 5.157 5.157 3.980 1.177 18732 2846 1 9 . 1 1 66 66 VAL CA C 66 58.634 58.634 63.312 -4.678 18732 2847 1 9 . 1 1 66 66 VAL CB C 66 32.312 32.312 31.485 0.827 18732 2848 1 9 . 1 1 67 67 THR N N 67 125.293 125.293 124.615 0.678 18732 2849 1 9 . 1 1 67 67 THR CA C 67 57.150 57.150 62.537 -5.387 18732 2850 1 9 . 1 1 67 67 THR CB C 67 67.050 67.050 69.559 -2.509 18732 2851 1 9 . 1 1 68 68 ILE N N 68 128.624 128.624 128.563 0.061 18732 2852 1 9 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.598 0.265 18732 2853 1 9 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.523 -2.290 18732 2854 1 9 . 1 1 68 68 ILE CB C 68 39.314 39.314 41.117 -1.802 18732 2855 1 9 . 1 1 69 69 SER N N 69 122.023 122.023 122.541 -0.518 18732 2856 1 9 . 1 1 69 69 SER HA H 69 5.804 5.804 5.329 0.475 18732 2857 1 9 . 1 1 69 69 SER CA C 69 53.530 53.530 57.278 -3.748 18732 2858 1 9 . 1 1 69 69 SER CB C 69 61.921 61.921 64.705 -2.784 18732 2859 1 9 . 1 1 70 70 PHE N N 70 123.800 123.800 121.518 2.282 18732 2860 1 9 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.572 -0.195 18732 2861 1 9 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.282 -2.139 18732 2862 1 9 . 1 1 70 70 PHE CB C 70 40.368 40.368 42.175 -1.807 18732 2863 1 9 . 1 1 71 71 ASP N N 71 121.547 121.547 117.853 3.694 18732 2864 1 9 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.078 0.021 18732 2865 1 9 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.249 -2.027 18732 2866 1 9 . 1 1 71 71 ASP CB C 71 40.845 40.845 42.384 -1.539 18732 2867 1 9 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.458 -0.093 18732 2868 1 9 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.545 -2.946 18732 2869 1 9 . 1 1 72 72 PRO CB C 72 29.666 29.666 31.837 -2.171 18732 2870 1 9 . 1 1 73 73 TYR N N 73 118.085 118.085 117.527 0.558 18732 2871 1 9 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.354 0.272 18732 2872 1 9 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.226 -2.896 18732 2873 1 9 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.395 -2.815 18732 2874 1 9 . 1 1 74 74 SER N N 74 113.942 113.942 110.591 3.351 18732 2875 1 9 . 1 1 74 74 SER HA H 74 4.506 4.506 4.649 -0.143 18732 2876 1 9 . 1 1 74 74 SER CA C 74 56.253 56.253 58.066 -1.813 18732 2877 1 9 . 1 1 74 74 SER CB C 74 62.670 62.670 64.609 -1.938 18732 2878 1 9 . 1 1 75 75 GLN N N 75 115.717 115.717 119.167 -3.450 18732 2879 1 9 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.661 -0.417 18732 2880 1 9 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.430 -1.858 18732 2881 1 9 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.681 -3.058 18732 2882 1 9 . 1 1 76 76 LYS N N 76 119.205 119.205 120.220 -1.015 18732 2883 1 9 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.609 -0.165 18732 2884 1 9 . 1 1 76 76 LYS CA C 76 54.013 54.013 55.142 -1.129 18732 2885 1 9 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.240 -1.865 18732 2886 1 9 . 1 1 77 77 VAL N N 77 125.587 125.587 127.913 -2.326 18732 2887 1 9 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.000 0.004 18732 2888 1 9 . 1 1 77 77 VAL CA C 77 61.558 61.558 62.840 -1.282 18732 2889 1 9 . 1 1 77 77 VAL CB C 77 30.401 30.401 32.145 -1.744 18732 2890 1 9 . 1 1 78 78 ASN N N 78 126.604 126.604 128.853 -2.249 18732 2891 1 9 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.650 0.300 18732 2892 1 9 . 1 1 78 78 ASN CA C 78 51.577 51.577 55.402 -3.825 18732 2893 1 9 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.119 -1.758 18732 2894 1 9 . 1 1 79 79 LYS N N 79 118.463 118.463 117.986 0.477 18732 2895 1 9 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.779 -0.162 18732 2896 1 9 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.125 -1.553 18732 2897 1 9 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.976 -3.447 18732 2898 1 9 . 1 1 80 80 ILE N N 80 123.294 123.294 119.653 3.641 18732 2899 1 9 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.041 0.030 18732 2900 1 9 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.805 -2.109 18732 2901 1 9 . 1 1 80 80 ILE CB C 80 38.260 38.260 40.744 -2.484 18732 2902 1 9 . 1 1 81 81 ALA N N 81 130.466 130.466 128.195 2.271 18732 2903 1 9 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.832 0.204 18732 2904 1 9 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.051 -2.829 18732 2905 1 9 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.406 -2.332 18732 2906 1 9 . 1 1 82 82 ILE N N 82 122.249 122.249 118.876 3.373 18732 2907 1 9 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.607 0.635 18732 2908 1 9 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.795 -2.120 18732 2909 1 9 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.306 -3.514 18732 2910 1 9 . 1 1 83 83 LEU N N 83 129.605 129.605 123.407 6.198 18732 2911 1 9 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.840 0.114 18732 2912 1 9 . 1 1 83 83 LEU CA C 83 51.332 51.332 54.373 -3.041 18732 2913 1 9 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.382 -2.907 18732 2914 1 9 . 1 1 84 84 GLU N N 84 125.594 125.594 123.837 1.757 18732 2915 1 9 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.804 -0.092 18732 2916 1 9 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.217 -0.827 18732 2917 1 9 . 1 1 84 84 GLU CB C 84 28.122 28.122 32.908 -4.786 18732 2918 1 9 . 1 1 85 85 GLU N N 85 123.904 123.904 126.813 -2.909 18732 2919 1 9 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.412 0.017 18732 2920 1 9 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.176 -2.280 18732 2921 1 9 . 1 1 85 85 GLU CB C 85 28.642 28.642 31.172 -2.530 18732 2922 1 9 . 1 1 86 86 TYR N N 86 123.323 123.323 116.094 7.229 18732 2923 1 9 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.746 -0.025 18732 2924 1 9 . 1 1 86 86 TYR CA C 86 53.909 53.909 57.172 -3.263 18732 2925 1 9 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.228 -2.632 18732 2926 1 10 . 1 1 2 2 GLU N N 2 120.598 120.598 120.269 0.329 18732 2927 1 10 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.600 -1.635 18732 2928 1 10 . 1 1 2 2 GLU CB C 2 27.978 27.978 29.632 -1.654 18732 2929 1 10 . 1 1 3 3 GLU N N 3 120.984 120.984 119.436 1.548 18732 2930 1 10 . 1 1 3 3 GLU HA H 3 4.198 4.198 3.827 0.371 18732 2931 1 10 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.513 2.522 18732 2932 1 10 . 1 1 3 3 GLU CB C 3 30.268 30.268 29.815 0.453 18732 2933 1 10 . 1 1 4 4 THR N N 4 117.936 117.936 108.065 9.871 18732 2934 1 10 . 1 1 4 4 THR HA H 4 4.665 4.665 4.524 0.141 18732 2935 1 10 . 1 1 4 4 THR CA C 4 57.307 57.307 58.709 -1.402 18732 2936 1 10 . 1 1 4 4 THR CB C 4 67.215 67.215 70.752 -3.537 18732 2937 1 10 . 1 1 5 5 PRO CA C 5 60.740 60.740 64.014 -3.274 18732 2938 1 10 . 1 1 5 5 PRO CB C 5 29.700 29.700 31.352 -1.652 18732 2939 1 10 . 1 1 6 6 LEU N N 6 122.097 122.097 115.471 6.626 18732 2940 1 10 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.745 -0.364 18732 2941 1 10 . 1 1 6 6 LEU CA C 6 53.015 53.015 53.458 -0.443 18732 2942 1 10 . 1 1 6 6 LEU CB C 6 40.054 40.054 40.934 -0.880 18732 2943 1 10 . 1 1 8 8 THR N N 8 116.987 116.987 114.515 2.472 18732 2944 1 10 . 1 1 8 8 THR HA H 8 4.348 4.348 4.415 -0.067 18732 2945 1 10 . 1 1 8 8 THR CA C 8 59.340 59.340 62.221 -2.881 18732 2946 1 10 . 1 1 8 8 THR CB C 8 67.234 67.234 69.366 -2.132 18732 2947 1 10 . 1 1 9 9 ALA N N 9 125.944 125.944 127.229 -1.285 18732 2948 1 10 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.425 -0.051 18732 2949 1 10 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.358 -2.349 18732 2950 1 10 . 1 1 9 9 ALA CB C 9 16.807 16.807 21.079 -4.272 18732 2951 1 10 . 1 1 10 10 ARG N N 10 119.637 119.637 119.484 0.153 18732 2952 1 10 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.349 -0.026 18732 2953 1 10 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.637 -2.105 18732 2954 1 10 . 1 1 10 10 ARG CB C 10 28.492 28.492 30.354 -1.862 18732 2955 1 10 . 1 1 11 11 HIS N N 11 119.667 119.667 119.382 0.285 18732 2956 1 10 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.772 -0.055 18732 2957 1 10 . 1 1 11 11 HIS CA C 11 52.790 52.790 55.477 -2.688 18732 2958 1 10 . 1 1 11 11 HIS CB C 11 27.033 27.033 30.808 -3.775 18732 2959 1 10 . 1 1 12 12 MET N N 12 122.280 122.280 124.176 -1.896 18732 2960 1 10 . 1 1 12 12 MET HA H 12 4.543 4.543 4.791 -0.248 18732 2961 1 10 . 1 1 12 12 MET CA C 12 53.058 53.058 54.162 -1.104 18732 2962 1 10 . 1 1 12 12 MET CB C 12 29.647 29.647 36.411 -6.764 18732 2963 1 10 . 1 1 13 13 SER N N 13 118.363 118.363 116.771 1.592 18732 2964 1 10 . 1 1 13 13 SER HA H 13 4.515 4.515 4.471 0.044 18732 2965 1 10 . 1 1 13 13 SER CA C 13 55.083 55.083 57.944 -2.861 18732 2966 1 10 . 1 1 13 13 SER CB C 13 62.243 62.243 64.515 -2.272 18732 2967 1 10 . 1 1 14 14 LYS N N 14 123.039 123.039 124.261 -1.222 18732 2968 1 10 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.849 0.077 18732 2969 1 10 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.490 -2.611 18732 2970 1 10 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.920 -2.425 18732 2971 1 10 . 1 1 15 15 TRP N N 15 118.585 118.585 117.192 1.393 18732 2972 1 10 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.859 -0.480 18732 2973 1 10 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.606 -1.037 18732 2974 1 10 . 1 1 15 15 TRP CB C 15 27.426 27.426 29.858 -2.432 18732 2975 1 10 . 1 1 16 16 GLU N N 16 119.418 119.418 121.093 -1.675 18732 2976 1 10 . 1 1 16 16 GLU HA H 16 2.976 2.976 4.036 -1.060 18732 2977 1 10 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.071 -3.531 18732 2978 1 10 . 1 1 16 16 GLU CB C 16 27.787 27.787 29.323 -1.536 18732 2979 1 10 . 1 1 17 17 GLU N N 17 117.377 117.377 118.433 -1.056 18732 2980 1 10 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.102 -0.192 18732 2981 1 10 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.353 -2.455 18732 2982 1 10 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.631 -2.778 18732 2983 1 10 . 1 1 18 18 ILE N N 18 119.807 119.807 120.425 -0.618 18732 2984 1 10 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.734 -0.066 18732 2985 1 10 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.416 -2.671 18732 2986 1 10 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.755 -2.092 18732 2987 1 10 . 1 1 19 19 ALA N N 19 121.744 121.744 121.837 -0.093 18732 2988 1 10 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.022 -0.067 18732 2989 1 10 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.442 -1.999 18732 2990 1 10 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.443 -3.169 18732 2991 1 10 . 1 1 20 20 VAL N N 20 115.918 115.918 118.458 -2.540 18732 2992 1 10 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.575 -0.176 18732 2993 1 10 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.316 -1.987 18732 2994 1 10 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.129 -1.725 18732 2995 1 10 . 1 1 21 21 LYS N N 21 119.785 119.785 119.915 -0.130 18732 2996 1 10 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.886 0.035 18732 2997 1 10 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.243 -2.801 18732 2998 1 10 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.168 1.344 18732 2999 1 10 . 1 1 22 22 GLU N N 22 118.955 118.955 118.661 0.294 18732 3000 1 10 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.094 -0.025 18732 3001 1 10 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.509 -3.248 18732 3002 1 10 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.672 -3.576 18732 3003 1 10 . 1 1 23 23 ALA N N 23 122.253 122.253 119.784 2.469 18732 3004 1 10 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.492 -0.391 18732 3005 1 10 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.293 -1.067 18732 3006 1 10 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.439 -2.930 18732 3007 1 10 . 1 1 24 24 LYS N N 24 116.889 116.889 118.025 -1.136 18732 3008 1 10 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.337 -0.318 18732 3009 1 10 . 1 1 24 24 LYS CA C 24 55.745 55.745 57.610 -1.865 18732 3010 1 10 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.157 -3.972 18732 3011 1 10 . 1 1 25 25 LYS N N 25 117.772 117.772 121.450 -3.678 18732 3012 1 10 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.268 -0.245 18732 3013 1 10 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.547 -2.207 18732 3014 1 10 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.117 -1.915 18732 3015 1 10 . 1 1 26 26 ARG N N 26 117.176 117.176 119.424 -2.248 18732 3016 1 10 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.012 0.045 18732 3017 1 10 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.583 -3.592 18732 3018 1 10 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.474 -2.440 18732 3019 1 10 . 1 1 27 27 TYR N N 27 117.344 117.344 117.363 -0.019 18732 3020 1 10 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.868 0.214 18732 3021 1 10 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.426 -2.868 18732 3022 1 10 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.778 -2.791 18732 3023 1 10 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.361 0.388 18732 3024 1 10 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.406 -2.013 18732 3025 1 10 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.033 -2.178 18732 3026 1 10 . 1 1 29 29 LEU N N 29 117.758 117.758 120.019 -2.261 18732 3027 1 10 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.234 0.355 18732 3028 1 10 . 1 1 29 29 LEU CA C 29 51.574 51.574 56.141 -4.567 18732 3029 1 10 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.799 -2.909 18732 3030 1 10 . 1 1 30 30 ALA N N 30 122.493 122.493 117.972 4.521 18732 3031 1 10 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.548 0.303 18732 3032 1 10 . 1 1 30 30 ALA CA C 30 48.855 48.855 51.038 -2.183 18732 3033 1 10 . 1 1 30 30 ALA CB C 30 19.668 19.668 20.968 -1.300 18732 3034 1 10 . 1 1 31 31 GLN N N 31 118.936 118.936 115.943 2.993 18732 3035 1 10 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.652 -0.013 18732 3036 1 10 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.413 -3.143 18732 3037 1 10 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.771 -3.928 18732 3038 1 10 . 1 1 32 32 VAL N N 32 123.815 123.815 121.700 2.115 18732 3039 1 10 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.256 0.409 18732 3040 1 10 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.364 -1.099 18732 3041 1 10 . 1 1 32 32 VAL CB C 32 28.878 28.878 33.104 -4.226 18732 3042 1 10 . 1 1 33 33 LEU N N 33 128.709 128.709 120.780 7.929 18732 3043 1 10 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.752 -0.510 18732 3044 1 10 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.630 -1.247 18732 3045 1 10 . 1 1 33 33 LEU CB C 33 41.123 41.123 43.029 -1.906 18732 3046 1 10 . 1 1 34 34 PHE N N 34 114.779 114.779 119.325 -4.546 18732 3047 1 10 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.988 -1.082 18732 3048 1 10 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.320 -3.405 18732 3049 1 10 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.319 -2.666 18732 3050 1 10 . 1 1 35 35 LYS N N 35 120.077 120.077 124.511 -4.434 18732 3051 1 10 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.846 0.392 18732 3052 1 10 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.437 -3.139 18732 3053 1 10 . 1 1 35 35 LYS CB C 35 32.998 32.998 33.733 -0.735 18732 3054 1 10 . 1 1 36 36 GLN N N 36 119.491 119.491 121.631 -2.140 18732 3055 1 10 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.799 0.437 18732 3056 1 10 . 1 1 36 36 GLN CA C 36 52.197 52.197 53.888 -1.691 18732 3057 1 10 . 1 1 36 36 GLN CB C 36 30.609 30.609 32.905 -2.296 18732 3058 1 10 . 1 1 37 37 LYS N N 37 128.471 128.471 123.372 5.099 18732 3059 1 10 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.810 -0.015 18732 3060 1 10 . 1 1 37 37 LYS CA C 37 54.661 54.661 56.039 -1.378 18732 3061 1 10 . 1 1 37 37 LYS CB C 37 31.273 31.273 32.977 -1.704 18732 3062 1 10 . 1 1 38 38 VAL N N 38 125.112 125.112 120.776 4.336 18732 3063 1 10 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.445 -0.108 18732 3064 1 10 . 1 1 38 38 VAL CA C 38 60.252 60.252 62.480 -2.228 18732 3065 1 10 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.105 -2.385 18732 3066 1 10 . 1 1 39 39 TRP N N 39 123.085 123.085 122.426 0.659 18732 3067 1 10 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.800 0.049 18732 3068 1 10 . 1 1 39 39 TRP CA C 39 54.206 54.206 57.793 -3.587 18732 3069 1 10 . 1 1 39 39 TRP CB C 39 30.461 30.461 32.545 -2.084 18732 3070 1 10 . 1 1 40 40 ASP N N 40 123.000 123.000 124.878 -1.878 18732 3071 1 10 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.626 0.502 18732 3072 1 10 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.932 -2.827 18732 3073 1 10 . 1 1 40 40 ASP CB C 40 41.077 41.077 42.489 -1.412 18732 3074 1 10 . 1 1 41 41 ARG N N 41 123.259 123.259 123.122 0.137 18732 3075 1 10 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.448 0.100 18732 3076 1 10 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.427 -1.804 18732 3077 1 10 . 1 1 41 41 ARG CB C 41 31.417 31.417 31.834 -0.417 18732 3078 1 10 . 1 1 42 42 LYS N N 42 124.798 124.798 117.422 7.376 18732 3079 1 10 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.459 0.229 18732 3080 1 10 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.639 -0.866 18732 3081 1 10 . 1 1 42 42 LYS CB C 42 31.787 31.787 33.874 -2.087 18732 3082 1 10 . 1 1 43 43 ARG N N 43 124.461 124.461 119.685 4.776 18732 3083 1 10 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.641 0.008 18732 3084 1 10 . 1 1 43 43 ARG CA C 43 52.179 52.179 54.695 -2.516 18732 3085 1 10 . 1 1 43 43 ARG CB C 43 30.149 30.149 30.829 -0.680 18732 3086 1 10 . 1 1 44 44 LYS N N 44 121.297 121.297 120.412 0.885 18732 3087 1 10 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.206 -0.183 18732 3088 1 10 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.393 -1.757 18732 3089 1 10 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.736 -2.624 18732 3090 1 10 . 1 1 45 45 ASP N N 45 115.145 115.145 116.929 -1.784 18732 3091 1 10 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.770 -0.020 18732 3092 1 10 . 1 1 45 45 ASP CA C 45 51.100 51.100 54.178 -3.078 18732 3093 1 10 . 1 1 45 45 ASP CB C 45 38.693 38.693 42.153 -3.460 18732 3094 1 10 . 1 1 46 46 GLU N N 46 118.274 118.274 118.025 0.249 18732 3095 1 10 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.493 -0.026 18732 3096 1 10 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.484 -1.762 18732 3097 1 10 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.807 -3.737 18732 3098 1 10 . 1 1 47 47 ALA N N 47 127.506 127.506 121.923 5.583 18732 3099 1 10 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.939 -0.245 18732 3100 1 10 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.653 -2.545 18732 3101 1 10 . 1 1 47 47 ALA CB C 47 18.842 18.842 21.927 -3.084 18732 3102 1 10 . 1 1 48 48 VAL N N 48 118.088 118.088 121.865 -3.777 18732 3103 1 10 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.817 0.528 18732 3104 1 10 . 1 1 48 48 VAL CA C 48 57.625 57.625 62.221 -4.596 18732 3105 1 10 . 1 1 48 48 VAL CB C 48 33.496 33.496 34.216 -0.720 18732 3106 1 10 . 1 1 49 49 LYS N N 49 124.725 124.725 125.143 -0.418 18732 3107 1 10 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.767 0.590 18732 3108 1 10 . 1 1 49 49 LYS CA C 49 52.039 52.039 54.824 -2.785 18732 3109 1 10 . 1 1 50 50 GLN N N 50 121.028 121.028 122.072 -1.044 18732 3110 1 10 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.471 0.515 18732 3111 1 10 . 1 1 50 50 GLN CA C 50 52.113 52.113 54.146 -2.033 18732 3112 1 10 . 1 1 50 50 GLN CB C 50 23.684 23.684 31.780 -8.096 18732 3113 1 10 . 1 1 51 51 TYR N N 51 124.549 124.549 117.330 7.219 18732 3114 1 10 . 1 1 51 51 TYR HA H 51 5.218 5.218 5.036 0.182 18732 3115 1 10 . 1 1 51 51 TYR CA C 51 54.550 54.550 56.947 -2.397 18732 3116 1 10 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.306 -2.026 18732 3117 1 10 . 1 1 52 52 HIS N N 52 121.301 121.301 120.005 1.296 18732 3118 1 10 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.204 0.015 18732 3119 1 10 . 1 1 52 52 HIS CA C 52 51.708 51.708 53.991 -2.283 18732 3120 1 10 . 1 1 52 52 HIS CB C 52 28.907 28.907 32.648 -3.741 18732 3121 1 10 . 1 1 53 53 LEU N N 53 127.743 127.743 126.362 1.381 18732 3122 1 10 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.572 0.636 18732 3123 1 10 . 1 1 53 53 LEU CA C 53 50.887 50.887 54.515 -3.628 18732 3124 1 10 . 1 1 53 53 LEU CB C 53 42.084 42.084 46.759 -4.675 18732 3125 1 10 . 1 1 54 54 THR N N 54 117.996 117.996 118.999 -1.003 18732 3126 1 10 . 1 1 54 54 THR HA H 54 4.600 4.600 4.484 0.116 18732 3127 1 10 . 1 1 54 54 THR CA C 54 59.774 59.774 62.436 -2.662 18732 3128 1 10 . 1 1 54 54 THR CB C 54 67.153 67.153 69.273 -2.120 18732 3129 1 10 . 1 1 55 55 LEU N N 55 129.329 129.329 126.565 2.764 18732 3130 1 10 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.868 0.206 18732 3131 1 10 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.656 -2.887 18732 3132 1 10 . 1 1 55 55 LEU CB C 55 42.090 42.090 43.864 -1.774 18732 3133 1 10 . 1 1 56 56 ARG N N 56 117.231 117.231 119.752 -2.521 18732 3134 1 10 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.684 0.673 18732 3135 1 10 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.678 -2.803 18732 3136 1 10 . 1 1 56 56 ARG CB C 56 31.945 31.945 32.865 -0.920 18732 3137 1 10 . 1 1 57 57 GLU N N 57 128.411 128.411 128.235 0.176 18732 3138 1 10 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.361 0.330 18732 3139 1 10 . 1 1 57 57 GLU CA C 57 52.864 52.864 56.389 -3.525 18732 3140 1 10 . 1 1 57 57 GLU CB C 57 29.942 29.942 31.433 -1.491 18732 3141 1 10 . 1 1 58 58 GLY N N 58 118.265 118.265 115.627 2.638 18732 3142 1 10 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.076 -2.133 18732 3143 1 10 . 1 1 59 59 SER N N 59 122.061 122.061 118.522 3.539 18732 3144 1 10 . 1 1 59 59 SER HA H 59 4.567 4.567 4.796 -0.229 18732 3145 1 10 . 1 1 59 59 SER CA C 59 55.730 55.730 57.874 -2.144 18732 3146 1 10 . 1 1 59 59 SER CB C 59 61.262 61.262 63.359 -2.097 18732 3147 1 10 . 1 1 60 60 LYS N N 60 124.154 124.154 121.795 2.359 18732 3148 1 10 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.672 -0.052 18732 3149 1 10 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.571 -2.127 18732 3150 1 10 . 1 1 60 60 LYS CB C 60 32.144 32.144 36.218 -4.074 18732 3151 1 10 . 1 1 61 61 GLU N N 61 125.701 125.701 121.654 4.047 18732 3152 1 10 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.265 0.249 18732 3153 1 10 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.186 -3.080 18732 3154 1 10 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.702 -3.162 18732 3155 1 10 . 1 1 62 62 PHE N N 62 121.360 121.360 118.476 2.884 18732 3156 1 10 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.941 0.105 18732 3157 1 10 . 1 1 62 62 PHE CA C 62 53.363 53.363 56.141 -2.778 18732 3158 1 10 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.626 -3.827 18732 3159 1 10 . 1 1 63 63 GLY N N 63 107.546 107.546 107.954 -0.408 18732 3160 1 10 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.792 -2.160 18732 3161 1 10 . 1 1 64 64 VAL N N 64 115.031 115.031 115.945 -0.914 18732 3162 1 10 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.577 0.443 18732 3163 1 10 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.755 -2.725 18732 3164 1 10 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.520 -1.368 18732 3165 1 10 . 1 1 65 65 PHE N N 65 122.208 122.208 121.777 0.431 18732 3166 1 10 . 1 1 65 65 PHE HA H 65 5.632 5.632 4.926 0.706 18732 3167 1 10 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.841 -2.841 18732 3168 1 10 . 1 1 65 65 PHE CB C 65 39.295 39.295 40.659 -1.364 18732 3169 1 10 . 1 1 66 66 VAL N N 66 123.832 123.832 124.077 -0.245 18732 3170 1 10 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.069 1.089 18732 3171 1 10 . 1 1 66 66 VAL CA C 66 58.634 58.634 63.343 -4.709 18732 3172 1 10 . 1 1 66 66 VAL CB C 66 32.312 32.312 32.136 0.176 18732 3173 1 10 . 1 1 67 67 THR N N 67 125.293 125.293 121.918 3.375 18732 3174 1 10 . 1 1 67 67 THR CA C 67 57.150 57.150 61.447 -4.297 18732 3175 1 10 . 1 1 67 67 THR CB C 67 67.050 67.050 70.504 -3.454 18732 3176 1 10 . 1 1 68 68 ILE N N 68 128.624 128.624 127.631 0.993 18732 3177 1 10 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.606 0.257 18732 3178 1 10 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.541 -2.308 18732 3179 1 10 . 1 1 68 68 ILE CB C 68 39.314 39.314 41.751 -2.437 18732 3180 1 10 . 1 1 69 69 SER N N 69 122.023 122.023 121.739 0.284 18732 3181 1 10 . 1 1 69 69 SER HA H 69 5.804 5.804 5.375 0.429 18732 3182 1 10 . 1 1 69 69 SER CA C 69 53.530 53.530 57.222 -3.692 18732 3183 1 10 . 1 1 69 69 SER CB C 69 61.921 61.921 64.838 -2.917 18732 3184 1 10 . 1 1 70 70 PHE N N 70 123.800 123.800 121.721 2.079 18732 3185 1 10 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.375 0.002 18732 3186 1 10 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.079 -1.936 18732 3187 1 10 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.323 -0.955 18732 3188 1 10 . 1 1 71 71 ASP N N 71 121.547 121.547 120.271 1.276 18732 3189 1 10 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.089 0.010 18732 3190 1 10 . 1 1 71 71 ASP CA C 71 48.222 48.222 51.427 -3.205 18732 3191 1 10 . 1 1 71 71 ASP CB C 71 40.845 40.845 43.356 -2.511 18732 3192 1 10 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.404 -0.039 18732 3193 1 10 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.418 -2.819 18732 3194 1 10 . 1 1 72 72 PRO CB C 72 29.666 29.666 31.950 -2.284 18732 3195 1 10 . 1 1 73 73 TYR N N 73 118.085 118.085 118.735 -0.650 18732 3196 1 10 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.268 0.358 18732 3197 1 10 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.306 -2.976 18732 3198 1 10 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.355 -2.776 18732 3199 1 10 . 1 1 74 74 SER N N 74 113.942 113.942 111.400 2.542 18732 3200 1 10 . 1 1 74 74 SER HA H 74 4.506 4.506 4.640 -0.134 18732 3201 1 10 . 1 1 74 74 SER CA C 74 56.253 56.253 57.964 -1.711 18732 3202 1 10 . 1 1 74 74 SER CB C 74 62.670 62.670 63.843 -1.173 18732 3203 1 10 . 1 1 75 75 GLN N N 75 115.717 115.717 118.785 -3.068 18732 3204 1 10 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.588 -0.344 18732 3205 1 10 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.521 -1.949 18732 3206 1 10 . 1 1 75 75 GLN CB C 75 23.623 23.623 27.211 -3.588 18732 3207 1 10 . 1 1 76 76 LYS N N 76 119.205 119.205 121.308 -2.103 18732 3208 1 10 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.811 -0.367 18732 3209 1 10 . 1 1 76 76 LYS CA C 76 54.013 54.013 54.496 -0.483 18732 3210 1 10 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.870 -2.495 18732 3211 1 10 . 1 1 77 77 VAL N N 77 125.587 125.587 127.433 -1.846 18732 3212 1 10 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.015 -0.011 18732 3213 1 10 . 1 1 77 77 VAL CA C 77 61.558 61.558 63.017 -1.458 18732 3214 1 10 . 1 1 77 77 VAL CB C 77 30.401 30.401 32.175 -1.774 18732 3215 1 10 . 1 1 78 78 ASN N N 78 126.604 126.604 129.016 -2.412 18732 3216 1 10 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.733 0.217 18732 3217 1 10 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.951 -3.374 18732 3218 1 10 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.372 -2.011 18732 3219 1 10 . 1 1 79 79 LYS N N 79 118.463 118.463 118.594 -0.131 18732 3220 1 10 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.775 -0.157 18732 3221 1 10 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.312 -1.740 18732 3222 1 10 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.980 -3.451 18732 3223 1 10 . 1 1 80 80 ILE N N 80 123.294 123.294 119.633 3.661 18732 3224 1 10 . 1 1 80 80 ILE HA H 80 5.071 5.071 4.919 0.152 18732 3225 1 10 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.697 -2.001 18732 3226 1 10 . 1 1 80 80 ILE CB C 80 38.260 38.260 40.799 -2.539 18732 3227 1 10 . 1 1 81 81 ALA N N 81 130.466 130.466 127.354 3.112 18732 3228 1 10 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.786 0.250 18732 3229 1 10 . 1 1 81 81 ALA CA C 81 48.222 48.222 50.912 -2.690 18732 3230 1 10 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.443 -2.369 18732 3231 1 10 . 1 1 82 82 ILE N N 82 122.249 122.249 119.049 3.200 18732 3232 1 10 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.581 0.661 18732 3233 1 10 . 1 1 82 82 ILE CA C 82 57.675 57.675 60.003 -2.328 18732 3234 1 10 . 1 1 82 82 ILE CB C 82 37.792 37.792 40.997 -3.205 18732 3235 1 10 . 1 1 83 83 LEU N N 83 129.605 129.605 124.589 5.016 18732 3236 1 10 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.852 0.102 18732 3237 1 10 . 1 1 83 83 LEU CA C 83 51.332 51.332 54.298 -2.966 18732 3238 1 10 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.555 -3.080 18732 3239 1 10 . 1 1 84 84 GLU N N 84 125.594 125.594 122.519 3.075 18732 3240 1 10 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.690 0.022 18732 3241 1 10 . 1 1 84 84 GLU CA C 84 54.390 54.390 54.889 -0.499 18732 3242 1 10 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.470 -5.348 18732 3243 1 10 . 1 1 85 85 GLU N N 85 123.904 123.904 126.172 -2.268 18732 3244 1 10 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.327 0.102 18732 3245 1 10 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.983 -3.087 18732 3246 1 10 . 1 1 85 85 GLU CB C 85 28.642 28.642 30.022 -1.380 18732 3247 1 10 . 1 1 86 86 TYR N N 86 123.323 123.323 126.018 -2.695 18732 3248 1 10 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.358 0.363 18732 3249 1 10 . 1 1 86 86 TYR CA C 86 53.909 53.909 59.908 -5.999 18732 3250 1 10 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.019 -2.423 18732 3251 1 11 . 1 1 2 2 GLU N N 2 120.598 120.598 120.040 0.558 18732 3252 1 11 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.635 -1.670 18732 3253 1 11 . 1 1 2 2 GLU CB C 2 27.978 27.978 30.669 -2.692 18732 3254 1 11 . 1 1 3 3 GLU N N 3 120.984 120.984 119.795 1.189 18732 3255 1 11 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.407 -0.209 18732 3256 1 11 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.232 2.803 18732 3257 1 11 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.311 -0.043 18732 3258 1 11 . 1 1 4 4 THR N N 4 117.936 117.936 107.674 10.262 18732 3259 1 11 . 1 1 4 4 THR HA H 4 4.665 4.665 4.500 0.165 18732 3260 1 11 . 1 1 4 4 THR CA C 4 57.307 57.307 58.938 -1.631 18732 3261 1 11 . 1 1 4 4 THR CB C 4 67.215 67.215 69.982 -2.767 18732 3262 1 11 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.853 -3.113 18732 3263 1 11 . 1 1 5 5 PRO CB C 5 29.700 29.700 32.056 -2.356 18732 3264 1 11 . 1 1 6 6 LEU N N 6 122.097 122.097 118.491 3.606 18732 3265 1 11 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.452 -0.071 18732 3266 1 11 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.069 -1.054 18732 3267 1 11 . 1 1 6 6 LEU CB C 6 40.054 40.054 39.050 1.004 18732 3268 1 11 . 1 1 8 8 THR N N 8 116.987 116.987 113.045 3.942 18732 3269 1 11 . 1 1 8 8 THR HA H 8 4.348 4.348 4.469 -0.121 18732 3270 1 11 . 1 1 8 8 THR CA C 8 59.340 59.340 60.313 -0.973 18732 3271 1 11 . 1 1 8 8 THR CB C 8 67.234 67.234 70.509 -3.275 18732 3272 1 11 . 1 1 9 9 ALA N N 9 125.944 125.944 122.381 3.563 18732 3273 1 11 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.283 0.091 18732 3274 1 11 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.998 -2.989 18732 3275 1 11 . 1 1 9 9 ALA CB C 9 16.807 16.807 18.699 -1.892 18732 3276 1 11 . 1 1 10 10 ARG N N 10 119.637 119.637 117.478 2.159 18732 3277 1 11 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.413 -0.090 18732 3278 1 11 . 1 1 10 10 ARG CA C 10 53.532 53.532 56.171 -2.639 18732 3279 1 11 . 1 1 10 10 ARG CB C 10 28.492 28.492 29.031 -0.539 18732 3280 1 11 . 1 1 11 11 HIS N N 11 119.667 119.667 118.811 0.856 18732 3281 1 11 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.520 0.197 18732 3282 1 11 . 1 1 11 11 HIS CA C 11 52.790 52.790 56.161 -3.372 18732 3283 1 11 . 1 1 11 11 HIS CB C 11 27.033 27.033 30.433 -3.400 18732 3284 1 11 . 1 1 12 12 MET N N 12 122.280 122.280 122.813 -0.533 18732 3285 1 11 . 1 1 12 12 MET HA H 12 4.543 4.543 5.041 -0.498 18732 3286 1 11 . 1 1 12 12 MET CA C 12 53.058 53.058 54.471 -1.413 18732 3287 1 11 . 1 1 12 12 MET CB C 12 29.647 29.647 37.528 -7.881 18732 3288 1 11 . 1 1 13 13 SER N N 13 118.363 118.363 117.334 1.029 18732 3289 1 11 . 1 1 13 13 SER HA H 13 4.515 4.515 4.678 -0.163 18732 3290 1 11 . 1 1 13 13 SER CA C 13 55.083 55.083 57.934 -2.852 18732 3291 1 11 . 1 1 13 13 SER CB C 13 62.243 62.243 64.143 -1.900 18732 3292 1 11 . 1 1 14 14 LYS N N 14 123.039 123.039 123.106 -0.067 18732 3293 1 11 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.882 0.044 18732 3294 1 11 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.294 -2.413 18732 3295 1 11 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.779 -2.284 18732 3296 1 11 . 1 1 15 15 TRP N N 15 118.585 118.585 117.755 0.830 18732 3297 1 11 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.849 -0.470 18732 3298 1 11 . 1 1 15 15 TRP CA C 15 55.569 55.569 57.326 -1.757 18732 3299 1 11 . 1 1 15 15 TRP CB C 15 27.426 27.426 29.731 -2.305 18732 3300 1 11 . 1 1 16 16 GLU N N 16 119.418 119.418 118.595 0.823 18732 3301 1 11 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.044 -0.068 18732 3302 1 11 . 1 1 16 16 GLU CA C 16 56.540 56.540 58.445 -1.905 18732 3303 1 11 . 1 1 16 16 GLU CB C 16 27.787 27.787 29.081 -1.294 18732 3304 1 11 . 1 1 17 17 GLU N N 17 117.377 117.377 116.860 0.517 18732 3305 1 11 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.287 -0.377 18732 3306 1 11 . 1 1 17 17 GLU CA C 17 56.898 56.898 58.373 -1.475 18732 3307 1 11 . 1 1 17 17 GLU CB C 17 26.853 26.853 30.287 -3.434 18732 3308 1 11 . 1 1 18 18 ILE N N 18 119.807 119.807 121.817 -2.010 18732 3309 1 11 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.970 -0.302 18732 3310 1 11 . 1 1 18 18 ILE CA C 18 62.745 62.745 64.253 -1.508 18732 3311 1 11 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.901 -2.239 18732 3312 1 11 . 1 1 19 19 ALA N N 19 121.744 121.744 123.600 -1.856 18732 3313 1 11 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.082 -0.127 18732 3314 1 11 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.809 -2.366 18732 3315 1 11 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.292 -3.018 18732 3316 1 11 . 1 1 20 20 VAL N N 20 115.918 115.918 117.759 -1.841 18732 3317 1 11 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.466 -0.067 18732 3318 1 11 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.032 -1.704 18732 3319 1 11 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.449 -2.045 18732 3320 1 11 . 1 1 21 21 LYS N N 21 119.785 119.785 119.424 0.361 18732 3321 1 11 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.925 -0.004 18732 3322 1 11 . 1 1 21 21 LYS CA C 21 57.442 57.442 59.998 -2.556 18732 3323 1 11 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.159 1.353 18732 3324 1 11 . 1 1 22 22 GLU N N 22 118.955 118.955 118.950 0.005 18732 3325 1 11 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.100 -0.031 18732 3326 1 11 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.510 -3.249 18732 3327 1 11 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.743 -3.647 18732 3328 1 11 . 1 1 23 23 ALA N N 23 122.253 122.253 118.546 3.707 18732 3329 1 11 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.387 -0.286 18732 3330 1 11 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.093 -0.867 18732 3331 1 11 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.603 -3.094 18732 3332 1 11 . 1 1 24 24 LYS N N 24 116.889 116.889 115.119 1.770 18732 3333 1 11 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.437 -0.418 18732 3334 1 11 . 1 1 24 24 LYS CA C 24 55.745 55.745 57.751 -2.006 18732 3335 1 11 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.447 -4.262 18732 3336 1 11 . 1 1 25 25 LYS N N 25 117.772 117.772 122.145 -4.373 18732 3337 1 11 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.126 -0.103 18732 3338 1 11 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.603 -2.263 18732 3339 1 11 . 1 1 25 25 LYS CB C 25 30.202 30.202 31.903 -1.701 18732 3340 1 11 . 1 1 26 26 ARG N N 26 117.176 117.176 118.612 -1.436 18732 3341 1 11 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.041 0.016 18732 3342 1 11 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.409 -3.418 18732 3343 1 11 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.530 -2.496 18732 3344 1 11 . 1 1 27 27 TYR N N 27 117.344 117.344 117.930 -0.586 18732 3345 1 11 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.918 0.164 18732 3346 1 11 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.575 -3.017 18732 3347 1 11 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.924 -2.937 18732 3348 1 11 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.430 0.319 18732 3349 1 11 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.442 -2.049 18732 3350 1 11 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.178 -2.324 18732 3351 1 11 . 1 1 29 29 LEU N N 29 117.758 117.758 119.273 -1.515 18732 3352 1 11 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.712 -0.123 18732 3353 1 11 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.296 -2.722 18732 3354 1 11 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.903 -3.013 18732 3355 1 11 . 1 1 30 30 ALA N N 30 122.493 122.493 120.756 1.737 18732 3356 1 11 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.677 0.174 18732 3357 1 11 . 1 1 30 30 ALA CA C 30 48.855 48.855 51.802 -2.947 18732 3358 1 11 . 1 1 30 30 ALA CB C 30 19.668 19.668 21.573 -1.905 18732 3359 1 11 . 1 1 31 31 GLN N N 31 118.936 118.936 118.444 0.492 18732 3360 1 11 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.797 -0.158 18732 3361 1 11 . 1 1 31 31 GLN CA C 31 51.271 51.271 53.984 -2.713 18732 3362 1 11 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.323 -3.480 18732 3363 1 11 . 1 1 32 32 VAL N N 32 123.815 123.815 123.564 0.251 18732 3364 1 11 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.497 0.168 18732 3365 1 11 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.410 -1.145 18732 3366 1 11 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.346 -3.468 18732 3367 1 11 . 1 1 33 33 LEU N N 33 128.709 128.709 125.159 3.550 18732 3368 1 11 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.738 -0.496 18732 3369 1 11 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.234 -0.851 18732 3370 1 11 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.966 -1.843 18732 3371 1 11 . 1 1 34 34 PHE N N 34 114.779 114.779 120.180 -5.401 18732 3372 1 11 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.576 -0.670 18732 3373 1 11 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.206 -3.291 18732 3374 1 11 . 1 1 34 34 PHE CB C 34 40.653 40.653 41.434 -0.781 18732 3375 1 11 . 1 1 35 35 LYS N N 35 120.077 120.077 121.412 -1.335 18732 3376 1 11 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.491 0.747 18732 3377 1 11 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.567 -3.270 18732 3378 1 11 . 1 1 35 35 LYS CB C 35 32.998 32.998 32.912 0.086 18732 3379 1 11 . 1 1 36 36 GLN N N 36 119.491 119.491 122.992 -3.501 18732 3380 1 11 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.467 0.769 18732 3381 1 11 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.774 -2.577 18732 3382 1 11 . 1 1 36 36 GLN CB C 36 30.609 30.609 29.622 0.987 18732 3383 1 11 . 1 1 37 37 LYS N N 37 128.471 128.471 120.014 8.457 18732 3384 1 11 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.522 0.273 18732 3385 1 11 . 1 1 37 37 LYS CA C 37 54.661 54.661 56.322 -1.661 18732 3386 1 11 . 1 1 37 37 LYS CB C 37 31.273 31.273 32.861 -1.588 18732 3387 1 11 . 1 1 38 38 VAL N N 38 125.112 125.112 116.912 8.200 18732 3388 1 11 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.539 -0.202 18732 3389 1 11 . 1 1 38 38 VAL CA C 38 60.252 60.252 59.787 0.465 18732 3390 1 11 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.890 -3.170 18732 3391 1 11 . 1 1 39 39 TRP N N 39 123.085 123.085 122.262 0.823 18732 3392 1 11 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.481 0.368 18732 3393 1 11 . 1 1 39 39 TRP CA C 39 54.206 54.206 58.313 -4.107 18732 3394 1 11 . 1 1 39 39 TRP CB C 39 30.461 30.461 30.083 0.378 18732 3395 1 11 . 1 1 40 40 ASP N N 40 123.000 123.000 127.437 -4.437 18732 3396 1 11 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.645 0.483 18732 3397 1 11 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.200 -2.095 18732 3398 1 11 . 1 1 40 40 ASP CB C 40 41.077 41.077 42.270 -1.194 18732 3399 1 11 . 1 1 41 41 ARG N N 41 123.259 123.259 124.459 -1.200 18732 3400 1 11 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.216 0.332 18732 3401 1 11 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.691 -2.068 18732 3402 1 11 . 1 1 41 41 ARG CB C 41 31.417 31.417 33.549 -2.132 18732 3403 1 11 . 1 1 42 42 LYS N N 42 124.798 124.798 123.266 1.532 18732 3404 1 11 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.405 0.283 18732 3405 1 11 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.721 -0.949 18732 3406 1 11 . 1 1 42 42 LYS CB C 42 31.787 31.787 34.303 -2.516 18732 3407 1 11 . 1 1 43 43 ARG N N 43 124.461 124.461 124.835 -0.374 18732 3408 1 11 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.654 -0.005 18732 3409 1 11 . 1 1 43 43 ARG CA C 43 52.179 52.179 55.587 -3.409 18732 3410 1 11 . 1 1 43 43 ARG CB C 43 30.149 30.149 31.322 -1.173 18732 3411 1 11 . 1 1 44 44 LYS N N 44 121.297 121.297 119.172 2.125 18732 3412 1 11 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.093 -0.070 18732 3413 1 11 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.684 -2.047 18732 3414 1 11 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.804 -2.692 18732 3415 1 11 . 1 1 45 45 ASP N N 45 115.145 115.145 112.159 2.986 18732 3416 1 11 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.769 -0.019 18732 3417 1 11 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.393 -2.293 18732 3418 1 11 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.538 -2.845 18732 3419 1 11 . 1 1 46 46 GLU N N 46 118.274 118.274 117.610 0.664 18732 3420 1 11 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.668 -0.201 18732 3421 1 11 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.198 -1.476 18732 3422 1 11 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.523 -3.453 18732 3423 1 11 . 1 1 47 47 ALA N N 47 127.506 127.506 120.819 6.687 18732 3424 1 11 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.428 0.266 18732 3425 1 11 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.676 -2.568 18732 3426 1 11 . 1 1 47 47 ALA CB C 47 18.842 18.842 21.858 -3.016 18732 3427 1 11 . 1 1 48 48 VAL N N 48 118.088 118.088 115.313 2.775 18732 3428 1 11 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.664 0.681 18732 3429 1 11 . 1 1 48 48 VAL CA C 48 57.625 57.625 60.829 -3.204 18732 3430 1 11 . 1 1 48 48 VAL CB C 48 33.496 33.496 34.561 -1.065 18732 3431 1 11 . 1 1 49 49 LYS N N 49 124.725 124.725 126.207 -1.482 18732 3432 1 11 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.680 0.677 18732 3433 1 11 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.838 -3.799 18732 3434 1 11 . 1 1 50 50 GLN N N 50 121.028 121.028 120.529 0.499 18732 3435 1 11 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.108 0.878 18732 3436 1 11 . 1 1 50 50 GLN CA C 50 52.113 52.113 57.363 -5.250 18732 3437 1 11 . 1 1 50 50 GLN CB C 50 23.684 23.684 29.641 -5.957 18732 3438 1 11 . 1 1 51 51 TYR N N 51 124.549 124.549 114.786 9.763 18732 3439 1 11 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.836 0.382 18732 3440 1 11 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.096 -2.546 18732 3441 1 11 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.405 -2.125 18732 3442 1 11 . 1 1 52 52 HIS N N 52 121.301 121.301 120.014 1.287 18732 3443 1 11 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.381 -0.162 18732 3444 1 11 . 1 1 52 52 HIS CA C 52 51.708 51.708 54.467 -2.759 18732 3445 1 11 . 1 1 52 52 HIS CB C 52 28.907 28.907 31.893 -2.986 18732 3446 1 11 . 1 1 53 53 LEU N N 53 127.743 127.743 124.946 2.797 18732 3447 1 11 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.832 0.376 18732 3448 1 11 . 1 1 53 53 LEU CA C 53 50.887 50.887 53.551 -2.664 18732 3449 1 11 . 1 1 53 53 LEU CB C 53 42.084 42.084 45.692 -3.608 18732 3450 1 11 . 1 1 54 54 THR N N 54 117.996 117.996 114.899 3.097 18732 3451 1 11 . 1 1 54 54 THR HA H 54 4.600 4.600 4.396 0.204 18732 3452 1 11 . 1 1 54 54 THR CA C 54 59.774 59.774 60.402 -0.628 18732 3453 1 11 . 1 1 54 54 THR CB C 54 67.153 67.153 70.383 -3.230 18732 3454 1 11 . 1 1 55 55 LEU N N 55 129.329 129.329 124.131 5.198 18732 3455 1 11 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.478 0.596 18732 3456 1 11 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.075 -2.307 18732 3457 1 11 . 1 1 55 55 LEU CB C 55 42.090 42.090 42.963 -0.873 18732 3458 1 11 . 1 1 56 56 ARG N N 56 117.231 117.231 120.660 -3.429 18732 3459 1 11 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.728 0.629 18732 3460 1 11 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.539 -2.664 18732 3461 1 11 . 1 1 56 56 ARG CB C 56 31.945 31.945 32.627 -0.682 18732 3462 1 11 . 1 1 57 57 GLU N N 57 128.411 128.411 127.575 0.836 18732 3463 1 11 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.507 0.184 18732 3464 1 11 . 1 1 57 57 GLU CA C 57 52.864 52.864 54.816 -1.952 18732 3465 1 11 . 1 1 57 57 GLU CB C 57 29.942 29.942 30.690 -0.748 18732 3466 1 11 . 1 1 58 58 GLY N N 58 118.265 118.265 116.479 1.786 18732 3467 1 11 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.150 -2.207 18732 3468 1 11 . 1 1 59 59 SER N N 59 122.061 122.061 119.880 2.181 18732 3469 1 11 . 1 1 59 59 SER HA H 59 4.567 4.567 4.615 -0.048 18732 3470 1 11 . 1 1 59 59 SER CA C 59 55.730 55.730 57.934 -2.204 18732 3471 1 11 . 1 1 59 59 SER CB C 59 61.262 61.262 63.392 -2.130 18732 3472 1 11 . 1 1 60 60 LYS N N 60 124.154 124.154 121.790 2.364 18732 3473 1 11 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.661 -0.041 18732 3474 1 11 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.464 -2.020 18732 3475 1 11 . 1 1 60 60 LYS CB C 60 32.144 32.144 35.944 -3.800 18732 3476 1 11 . 1 1 61 61 GLU N N 61 125.701 125.701 121.675 4.026 18732 3477 1 11 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.273 0.241 18732 3478 1 11 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.026 -2.920 18732 3479 1 11 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.780 -3.240 18732 3480 1 11 . 1 1 62 62 PHE N N 62 121.360 121.360 118.738 2.622 18732 3481 1 11 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.979 0.067 18732 3482 1 11 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.696 -2.333 18732 3483 1 11 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.298 -3.499 18732 3484 1 11 . 1 1 63 63 GLY N N 63 107.546 107.546 110.817 -3.271 18732 3485 1 11 . 1 1 63 63 GLY CA C 63 41.632 41.632 45.321 -3.689 18732 3486 1 11 . 1 1 64 64 VAL N N 64 115.031 115.031 118.375 -3.344 18732 3487 1 11 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.563 0.457 18732 3488 1 11 . 1 1 64 64 VAL CA C 64 57.030 57.030 60.012 -2.982 18732 3489 1 11 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.393 -1.241 18732 3490 1 11 . 1 1 65 65 PHE N N 65 122.208 122.208 118.364 3.844 18732 3491 1 11 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.563 0.069 18732 3492 1 11 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.361 -2.361 18732 3493 1 11 . 1 1 65 65 PHE CB C 65 39.295 39.295 43.594 -4.299 18732 3494 1 11 . 1 1 66 66 VAL N N 66 123.832 123.832 118.092 5.740 18732 3495 1 11 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.580 0.577 18732 3496 1 11 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.692 -3.058 18732 3497 1 11 . 1 1 66 66 VAL CB C 66 32.312 32.312 35.282 -2.970 18732 3498 1 11 . 1 1 67 67 THR N N 67 125.293 125.293 121.983 3.310 18732 3499 1 11 . 1 1 67 67 THR CA C 67 57.150 57.150 61.011 -3.861 18732 3500 1 11 . 1 1 67 67 THR CB C 67 67.050 67.050 69.052 -2.002 18732 3501 1 11 . 1 1 68 68 ILE N N 68 128.624 128.624 126.598 2.026 18732 3502 1 11 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.121 0.742 18732 3503 1 11 . 1 1 68 68 ILE CA C 68 58.233 58.233 62.070 -3.837 18732 3504 1 11 . 1 1 68 68 ILE CB C 68 39.314 39.314 38.066 1.248 18732 3505 1 11 . 1 1 69 69 SER N N 69 122.023 122.023 121.907 0.116 18732 3506 1 11 . 1 1 69 69 SER HA H 69 5.804 5.804 5.187 0.617 18732 3507 1 11 . 1 1 69 69 SER CA C 69 53.530 53.530 57.056 -3.526 18732 3508 1 11 . 1 1 69 69 SER CB C 69 61.921 61.921 64.656 -2.735 18732 3509 1 11 . 1 1 70 70 PHE N N 70 123.800 123.800 122.706 1.094 18732 3510 1 11 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.295 0.082 18732 3511 1 11 . 1 1 70 70 PHE CA C 70 53.143 53.143 54.577 -1.434 18732 3512 1 11 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.104 -0.736 18732 3513 1 11 . 1 1 71 71 ASP N N 71 121.547 121.547 118.890 2.657 18732 3514 1 11 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.133 -0.034 18732 3515 1 11 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.528 -2.306 18732 3516 1 11 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.190 -3.345 18732 3517 1 11 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.441 -0.076 18732 3518 1 11 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.177 -2.578 18732 3519 1 11 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.170 -2.504 18732 3520 1 11 . 1 1 73 73 TYR N N 73 118.085 118.085 119.586 -1.501 18732 3521 1 11 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.298 0.328 18732 3522 1 11 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.522 -3.192 18732 3523 1 11 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.503 -2.923 18732 3524 1 11 . 1 1 74 74 SER N N 74 113.942 113.942 111.089 2.853 18732 3525 1 11 . 1 1 74 74 SER HA H 74 4.506 4.506 4.649 -0.143 18732 3526 1 11 . 1 1 74 74 SER CA C 74 56.253 56.253 58.064 -1.811 18732 3527 1 11 . 1 1 74 74 SER CB C 74 62.670 62.670 63.717 -1.047 18732 3528 1 11 . 1 1 75 75 GLN N N 75 115.717 115.717 118.227 -2.510 18732 3529 1 11 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.557 -0.313 18732 3530 1 11 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.322 -1.750 18732 3531 1 11 . 1 1 75 75 GLN CB C 75 23.623 23.623 27.186 -3.563 18732 3532 1 11 . 1 1 76 76 LYS N N 76 119.205 119.205 119.380 -0.175 18732 3533 1 11 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.470 -0.026 18732 3534 1 11 . 1 1 76 76 LYS CA C 76 54.013 54.013 55.464 -1.451 18732 3535 1 11 . 1 1 76 76 LYS CB C 76 31.375 31.375 32.784 -1.409 18732 3536 1 11 . 1 1 77 77 VAL N N 77 125.587 125.587 125.145 0.442 18732 3537 1 11 . 1 1 77 77 VAL HA H 77 4.004 4.004 3.935 0.069 18732 3538 1 11 . 1 1 77 77 VAL CA C 77 61.558 61.558 63.041 -1.483 18732 3539 1 11 . 1 1 77 77 VAL CB C 77 30.401 30.401 32.818 -2.417 18732 3540 1 11 . 1 1 78 78 ASN N N 78 126.604 126.604 127.865 -1.261 18732 3541 1 11 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.617 0.333 18732 3542 1 11 . 1 1 78 78 ASN CA C 78 51.577 51.577 55.429 -3.852 18732 3543 1 11 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.193 -1.832 18732 3544 1 11 . 1 1 79 79 LYS N N 79 118.463 118.463 116.814 1.649 18732 3545 1 11 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.673 -0.055 18732 3546 1 11 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.265 -1.693 18732 3547 1 11 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.750 -3.221 18732 3548 1 11 . 1 1 80 80 ILE N N 80 123.294 123.294 120.259 3.035 18732 3549 1 11 . 1 1 80 80 ILE HA H 80 5.071 5.071 4.678 0.393 18732 3550 1 11 . 1 1 80 80 ILE CA C 80 57.696 57.696 60.691 -2.995 18732 3551 1 11 . 1 1 80 80 ILE CB C 80 38.260 38.260 40.707 -2.447 18732 3552 1 11 . 1 1 81 81 ALA N N 81 130.466 130.466 130.153 0.313 18732 3553 1 11 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.770 0.266 18732 3554 1 11 . 1 1 81 81 ALA CA C 81 48.222 48.222 50.720 -2.498 18732 3555 1 11 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.483 -2.409 18732 3556 1 11 . 1 1 82 82 ILE N N 82 122.249 122.249 118.919 3.330 18732 3557 1 11 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.618 0.624 18732 3558 1 11 . 1 1 82 82 ILE CA C 82 57.675 57.675 60.418 -2.743 18732 3559 1 11 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.912 -4.120 18732 3560 1 11 . 1 1 83 83 LEU N N 83 129.605 129.605 123.734 5.871 18732 3561 1 11 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.986 -0.032 18732 3562 1 11 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.868 -2.536 18732 3563 1 11 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.447 -2.972 18732 3564 1 11 . 1 1 84 84 GLU N N 84 125.594 125.594 120.556 5.038 18732 3565 1 11 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.797 -0.085 18732 3566 1 11 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.097 -0.707 18732 3567 1 11 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.178 -5.056 18732 3568 1 11 . 1 1 85 85 GLU N N 85 123.904 123.904 124.474 -0.570 18732 3569 1 11 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.379 0.050 18732 3570 1 11 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.310 -2.414 18732 3571 1 11 . 1 1 85 85 GLU CB C 85 28.642 28.642 31.219 -2.577 18732 3572 1 11 . 1 1 86 86 TYR N N 86 123.323 123.323 117.809 5.514 18732 3573 1 11 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.750 -0.029 18732 3574 1 11 . 1 1 86 86 TYR CA C 86 53.909 53.909 57.391 -3.482 18732 3575 1 11 . 1 1 86 86 TYR CB C 86 36.596 36.596 40.466 -3.870 18732 3576 1 12 . 1 1 2 2 GLU N N 2 120.598 120.598 119.746 0.852 18732 3577 1 12 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.787 -1.822 18732 3578 1 12 . 1 1 2 2 GLU CB C 2 27.978 27.978 31.697 -3.719 18732 3579 1 12 . 1 1 3 3 GLU N N 3 120.984 120.984 119.212 1.772 18732 3580 1 12 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.201 -0.003 18732 3581 1 12 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.239 2.796 18732 3582 1 12 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.289 -0.021 18732 3583 1 12 . 1 1 4 4 THR N N 4 117.936 117.936 107.249 10.687 18732 3584 1 12 . 1 1 4 4 THR HA H 4 4.665 4.665 4.353 0.312 18732 3585 1 12 . 1 1 4 4 THR CA C 4 57.307 57.307 58.523 -1.216 18732 3586 1 12 . 1 1 4 4 THR CB C 4 67.215 67.215 70.559 -3.344 18732 3587 1 12 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.519 -2.779 18732 3588 1 12 . 1 1 5 5 PRO CB C 5 29.700 29.700 31.962 -2.262 18732 3589 1 12 . 1 1 6 6 LEU N N 6 122.097 122.097 121.952 0.145 18732 3590 1 12 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.408 -0.027 18732 3591 1 12 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.396 -1.381 18732 3592 1 12 . 1 1 6 6 LEU CB C 6 40.054 40.054 39.986 0.069 18732 3593 1 12 . 1 1 8 8 THR N N 8 116.987 116.987 116.722 0.265 18732 3594 1 12 . 1 1 8 8 THR HA H 8 4.348 4.348 4.374 -0.026 18732 3595 1 12 . 1 1 8 8 THR CA C 8 59.340 59.340 61.444 -2.104 18732 3596 1 12 . 1 1 8 8 THR CB C 8 67.234 67.234 72.116 -4.882 18732 3597 1 12 . 1 1 9 9 ALA N N 9 125.944 125.944 127.060 -1.116 18732 3598 1 12 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.272 0.102 18732 3599 1 12 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.522 -2.513 18732 3600 1 12 . 1 1 9 9 ALA CB C 9 16.807 16.807 18.573 -1.766 18732 3601 1 12 . 1 1 10 10 ARG N N 10 119.637 119.637 122.206 -2.569 18732 3602 1 12 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.555 -0.232 18732 3603 1 12 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.090 -1.558 18732 3604 1 12 . 1 1 10 10 ARG CB C 10 28.492 28.492 32.523 -4.031 18732 3605 1 12 . 1 1 11 11 HIS N N 11 119.667 119.667 120.315 -0.648 18732 3606 1 12 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.501 0.216 18732 3607 1 12 . 1 1 11 11 HIS CA C 11 52.790 52.790 56.709 -3.919 18732 3608 1 12 . 1 1 11 11 HIS CB C 11 27.033 27.033 30.488 -3.455 18732 3609 1 12 . 1 1 12 12 MET N N 12 122.280 122.280 120.594 1.686 18732 3610 1 12 . 1 1 12 12 MET HA H 12 4.543 4.543 4.591 -0.048 18732 3611 1 12 . 1 1 12 12 MET CA C 12 53.058 53.058 54.339 -1.281 18732 3612 1 12 . 1 1 12 12 MET CB C 12 29.647 29.647 33.608 -3.961 18732 3613 1 12 . 1 1 13 13 SER N N 13 118.363 118.363 115.374 2.989 18732 3614 1 12 . 1 1 13 13 SER HA H 13 4.515 4.515 4.576 -0.061 18732 3615 1 12 . 1 1 13 13 SER CA C 13 55.083 55.083 58.141 -3.058 18732 3616 1 12 . 1 1 13 13 SER CB C 13 62.243 62.243 64.288 -2.045 18732 3617 1 12 . 1 1 14 14 LYS N N 14 123.039 123.039 125.724 -2.685 18732 3618 1 12 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.926 0.000 18732 3619 1 12 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.612 -2.732 18732 3620 1 12 . 1 1 14 14 LYS CB C 14 29.495 29.495 32.054 -2.559 18732 3621 1 12 . 1 1 15 15 TRP N N 15 118.585 118.585 116.970 1.615 18732 3622 1 12 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.764 -0.385 18732 3623 1 12 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.403 -0.834 18732 3624 1 12 . 1 1 15 15 TRP CB C 15 27.426 27.426 29.960 -2.534 18732 3625 1 12 . 1 1 16 16 GLU N N 16 119.418 119.418 121.253 -1.835 18732 3626 1 12 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.359 -0.383 18732 3627 1 12 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.335 -3.795 18732 3628 1 12 . 1 1 16 16 GLU CB C 16 27.787 27.787 29.257 -1.470 18732 3629 1 12 . 1 1 17 17 GLU N N 17 117.377 117.377 116.296 1.081 18732 3630 1 12 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.136 -0.226 18732 3631 1 12 . 1 1 17 17 GLU CA C 17 56.898 56.898 58.191 -1.293 18732 3632 1 12 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.361 -2.508 18732 3633 1 12 . 1 1 18 18 ILE N N 18 119.807 119.807 119.078 0.729 18732 3634 1 12 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.991 -0.323 18732 3635 1 12 . 1 1 18 18 ILE CA C 18 62.745 62.745 63.824 -1.079 18732 3636 1 12 . 1 1 18 18 ILE CB C 18 35.663 35.663 38.801 -3.138 18732 3637 1 12 . 1 1 19 19 ALA N N 19 121.744 121.744 124.013 -2.269 18732 3638 1 12 . 1 1 19 19 ALA HA H 19 3.955 3.955 3.989 -0.034 18732 3639 1 12 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.371 -1.928 18732 3640 1 12 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.203 -2.929 18732 3641 1 12 . 1 1 20 20 VAL N N 20 115.918 115.918 116.304 -0.386 18732 3642 1 12 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.673 -0.274 18732 3643 1 12 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.319 -1.990 18732 3644 1 12 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.428 -2.024 18732 3645 1 12 . 1 1 21 21 LYS N N 21 119.785 119.785 117.948 1.837 18732 3646 1 12 . 1 1 21 21 LYS HA H 21 3.921 3.921 4.117 -0.196 18732 3647 1 12 . 1 1 21 21 LYS CA C 21 57.442 57.442 59.010 -1.568 18732 3648 1 12 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.189 1.323 18732 3649 1 12 . 1 1 22 22 GLU N N 22 118.955 118.955 120.645 -1.690 18732 3650 1 12 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.103 -0.034 18732 3651 1 12 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.148 -2.887 18732 3652 1 12 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.354 -3.258 18732 3653 1 12 . 1 1 23 23 ALA N N 23 122.253 122.253 118.441 3.812 18732 3654 1 12 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.301 -0.200 18732 3655 1 12 . 1 1 23 23 ALA CA C 23 53.226 53.226 53.849 -0.623 18732 3656 1 12 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.497 -2.988 18732 3657 1 12 . 1 1 24 24 LYS N N 24 116.889 116.889 115.500 1.389 18732 3658 1 12 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.382 -0.363 18732 3659 1 12 . 1 1 24 24 LYS CA C 24 55.745 55.745 57.915 -2.170 18732 3660 1 12 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.371 -4.186 18732 3661 1 12 . 1 1 25 25 LYS N N 25 117.772 117.772 121.261 -3.489 18732 3662 1 12 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.202 -0.179 18732 3663 1 12 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.892 -2.552 18732 3664 1 12 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.346 -2.144 18732 3665 1 12 . 1 1 26 26 ARG N N 26 117.176 117.176 119.347 -2.171 18732 3666 1 12 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.112 -0.055 18732 3667 1 12 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.170 -3.179 18732 3668 1 12 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.501 -2.467 18732 3669 1 12 . 1 1 27 27 TYR N N 27 117.344 117.344 118.251 -0.907 18732 3670 1 12 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.880 0.202 18732 3671 1 12 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.651 -3.093 18732 3672 1 12 . 1 1 27 27 TYR CB C 27 35.987 35.987 39.425 -3.438 18732 3673 1 12 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.461 0.288 18732 3674 1 12 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.211 -1.818 18732 3675 1 12 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.303 -2.448 18732 3676 1 12 . 1 1 29 29 LEU N N 29 117.758 117.758 119.832 -2.074 18732 3677 1 12 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.821 -0.232 18732 3678 1 12 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.422 -2.848 18732 3679 1 12 . 1 1 29 29 LEU CB C 29 38.890 38.890 40.888 -1.998 18732 3680 1 12 . 1 1 30 30 ALA N N 30 122.493 122.493 120.828 1.665 18732 3681 1 12 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.729 0.122 18732 3682 1 12 . 1 1 30 30 ALA CA C 30 48.855 48.855 51.796 -2.941 18732 3683 1 12 . 1 1 30 30 ALA CB C 30 19.668 19.668 21.829 -2.161 18732 3684 1 12 . 1 1 31 31 GLN N N 31 118.936 118.936 118.105 0.831 18732 3685 1 12 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.716 -0.077 18732 3686 1 12 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.329 -3.058 18732 3687 1 12 . 1 1 31 31 GLN CB C 31 28.843 28.843 31.704 -2.861 18732 3688 1 12 . 1 1 32 32 VAL N N 32 123.815 123.815 122.768 1.047 18732 3689 1 12 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.194 0.471 18732 3690 1 12 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.792 -1.528 18732 3691 1 12 . 1 1 32 32 VAL CB C 32 28.878 28.878 33.047 -4.169 18732 3692 1 12 . 1 1 33 33 LEU N N 33 128.709 128.709 123.626 5.083 18732 3693 1 12 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.730 -0.488 18732 3694 1 12 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.584 -1.201 18732 3695 1 12 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.773 -1.650 18732 3696 1 12 . 1 1 34 34 PHE N N 34 114.779 114.779 119.227 -4.448 18732 3697 1 12 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.571 -0.665 18732 3698 1 12 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.470 -3.555 18732 3699 1 12 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.777 -3.124 18732 3700 1 12 . 1 1 35 35 LYS N N 35 120.077 120.077 120.519 -0.442 18732 3701 1 12 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.646 0.592 18732 3702 1 12 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.936 -3.639 18732 3703 1 12 . 1 1 35 35 LYS CB C 35 32.998 32.998 33.390 -0.392 18732 3704 1 12 . 1 1 36 36 GLN N N 36 119.491 119.491 121.072 -1.581 18732 3705 1 12 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.926 0.310 18732 3706 1 12 . 1 1 36 36 GLN CA C 36 52.197 52.197 55.138 -2.941 18732 3707 1 12 . 1 1 36 36 GLN CB C 36 30.609 30.609 33.970 -3.361 18732 3708 1 12 . 1 1 37 37 LYS N N 37 128.471 128.471 122.731 5.740 18732 3709 1 12 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.522 0.273 18732 3710 1 12 . 1 1 37 37 LYS CA C 37 54.661 54.661 55.883 -1.222 18732 3711 1 12 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.365 -2.092 18732 3712 1 12 . 1 1 38 38 VAL N N 38 125.112 125.112 120.010 5.102 18732 3713 1 12 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.421 -0.084 18732 3714 1 12 . 1 1 38 38 VAL CA C 38 60.252 60.252 62.514 -2.262 18732 3715 1 12 . 1 1 38 38 VAL CB C 38 30.720 30.720 31.859 -1.139 18732 3716 1 12 . 1 1 39 39 TRP N N 39 123.085 123.085 123.027 0.058 18732 3717 1 12 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.744 0.105 18732 3718 1 12 . 1 1 39 39 TRP CA C 39 54.206 54.206 57.267 -3.061 18732 3719 1 12 . 1 1 39 39 TRP CB C 39 30.461 30.461 32.514 -2.053 18732 3720 1 12 . 1 1 40 40 ASP N N 40 123.000 123.000 122.270 0.730 18732 3721 1 12 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.649 0.479 18732 3722 1 12 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.690 -2.585 18732 3723 1 12 . 1 1 40 40 ASP CB C 40 41.077 41.077 41.960 -0.883 18732 3724 1 12 . 1 1 41 41 ARG N N 41 123.259 123.259 121.369 1.890 18732 3725 1 12 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.378 0.170 18732 3726 1 12 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.575 -1.952 18732 3727 1 12 . 1 1 41 41 ARG CB C 41 31.417 31.417 33.061 -1.644 18732 3728 1 12 . 1 1 42 42 LYS N N 42 124.798 124.798 120.354 4.444 18732 3729 1 12 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.415 0.273 18732 3730 1 12 . 1 1 42 42 LYS CA C 42 53.773 53.773 55.028 -1.255 18732 3731 1 12 . 1 1 42 42 LYS CB C 42 31.787 31.787 35.525 -3.738 18732 3732 1 12 . 1 1 43 43 ARG N N 43 124.461 124.461 119.731 4.730 18732 3733 1 12 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.710 -0.061 18732 3734 1 12 . 1 1 43 43 ARG CA C 43 52.179 52.179 55.126 -2.947 18732 3735 1 12 . 1 1 43 43 ARG CB C 43 30.149 30.149 32.369 -2.220 18732 3736 1 12 . 1 1 44 44 LYS N N 44 121.297 121.297 120.881 0.416 18732 3737 1 12 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.081 -0.058 18732 3738 1 12 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.843 -2.207 18732 3739 1 12 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.505 -2.393 18732 3740 1 12 . 1 1 45 45 ASP N N 45 115.145 115.145 113.689 1.456 18732 3741 1 12 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.758 -0.008 18732 3742 1 12 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.217 -2.117 18732 3743 1 12 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.199 -2.506 18732 3744 1 12 . 1 1 46 46 GLU N N 46 118.274 118.274 117.583 0.691 18732 3745 1 12 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.442 0.025 18732 3746 1 12 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.026 -1.304 18732 3747 1 12 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.245 -3.175 18732 3748 1 12 . 1 1 47 47 ALA N N 47 127.506 127.506 121.590 5.916 18732 3749 1 12 . 1 1 47 47 ALA HA H 47 4.694 4.694 5.080 -0.386 18732 3750 1 12 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.055 -1.947 18732 3751 1 12 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.169 -3.326 18732 3752 1 12 . 1 1 48 48 VAL N N 48 118.088 118.088 113.609 4.479 18732 3753 1 12 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.988 0.357 18732 3754 1 12 . 1 1 48 48 VAL CA C 48 57.625 57.625 61.778 -4.153 18732 3755 1 12 . 1 1 48 48 VAL CB C 48 33.496 33.496 35.732 -2.236 18732 3756 1 12 . 1 1 49 49 LYS N N 49 124.725 124.725 124.808 -0.083 18732 3757 1 12 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.991 0.366 18732 3758 1 12 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.862 -3.823 18732 3759 1 12 . 1 1 50 50 GLN N N 50 121.028 121.028 121.099 -0.071 18732 3760 1 12 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.725 0.261 18732 3761 1 12 . 1 1 50 50 GLN CA C 50 52.113 52.113 55.356 -3.243 18732 3762 1 12 . 1 1 50 50 GLN CB C 50 23.684 23.684 29.453 -5.769 18732 3763 1 12 . 1 1 51 51 TYR N N 51 124.549 124.549 119.305 5.244 18732 3764 1 12 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.830 0.388 18732 3765 1 12 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.110 -2.560 18732 3766 1 12 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.498 -2.217 18732 3767 1 12 . 1 1 52 52 HIS N N 52 121.301 121.301 121.208 0.093 18732 3768 1 12 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.058 0.161 18732 3769 1 12 . 1 1 52 52 HIS CA C 52 51.708 51.708 54.577 -2.869 18732 3770 1 12 . 1 1 52 52 HIS CB C 52 28.907 28.907 31.680 -2.773 18732 3771 1 12 . 1 1 53 53 LEU N N 53 127.743 127.743 126.740 1.003 18732 3772 1 12 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.651 0.557 18732 3773 1 12 . 1 1 53 53 LEU CA C 53 50.887 50.887 53.328 -2.441 18732 3774 1 12 . 1 1 53 53 LEU CB C 53 42.084 42.084 44.572 -2.488 18732 3775 1 12 . 1 1 54 54 THR N N 54 117.996 117.996 117.693 0.303 18732 3776 1 12 . 1 1 54 54 THR HA H 54 4.600 4.600 4.528 0.072 18732 3777 1 12 . 1 1 54 54 THR CA C 54 59.774 59.774 61.884 -2.110 18732 3778 1 12 . 1 1 54 54 THR CB C 54 67.153 67.153 69.903 -2.750 18732 3779 1 12 . 1 1 55 55 LEU N N 55 129.329 129.329 126.245 3.084 18732 3780 1 12 . 1 1 55 55 LEU HA H 55 5.074 5.074 5.038 0.036 18732 3781 1 12 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.119 -2.350 18732 3782 1 12 . 1 1 55 55 LEU CB C 55 42.090 42.090 43.079 -0.989 18732 3783 1 12 . 1 1 56 56 ARG N N 56 117.231 117.231 120.104 -2.873 18732 3784 1 12 . 1 1 56 56 ARG HA H 56 5.357 5.357 5.014 0.343 18732 3785 1 12 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.621 -2.746 18732 3786 1 12 . 1 1 56 56 ARG CB C 56 31.945 31.945 34.040 -2.095 18732 3787 1 12 . 1 1 57 57 GLU N N 57 128.411 128.411 126.454 1.957 18732 3788 1 12 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.827 -0.136 18732 3789 1 12 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.445 -2.581 18732 3790 1 12 . 1 1 57 57 GLU CB C 57 29.942 29.942 33.032 -3.090 18732 3791 1 12 . 1 1 58 58 GLY N N 58 118.265 118.265 117.348 0.917 18732 3792 1 12 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.010 -2.067 18732 3793 1 12 . 1 1 59 59 SER N N 59 122.061 122.061 117.747 4.314 18732 3794 1 12 . 1 1 59 59 SER HA H 59 4.567 4.567 4.650 -0.083 18732 3795 1 12 . 1 1 59 59 SER CA C 59 55.730 55.730 58.064 -2.334 18732 3796 1 12 . 1 1 59 59 SER CB C 59 61.262 61.262 65.201 -3.939 18732 3797 1 12 . 1 1 60 60 LYS N N 60 124.154 124.154 124.110 0.044 18732 3798 1 12 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.496 0.124 18732 3799 1 12 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.949 -2.505 18732 3800 1 12 . 1 1 60 60 LYS CB C 60 32.144 32.144 34.165 -2.021 18732 3801 1 12 . 1 1 61 61 GLU N N 61 125.701 125.701 122.291 3.410 18732 3802 1 12 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.377 0.137 18732 3803 1 12 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.119 -3.013 18732 3804 1 12 . 1 1 61 61 GLU CB C 61 29.540 29.540 33.046 -3.506 18732 3805 1 12 . 1 1 62 62 PHE N N 62 121.360 121.360 118.808 2.552 18732 3806 1 12 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.968 0.078 18732 3807 1 12 . 1 1 62 62 PHE CA C 62 53.363 53.363 56.034 -2.671 18732 3808 1 12 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.809 -4.010 18732 3809 1 12 . 1 1 63 63 GLY N N 63 107.546 107.546 108.421 -0.875 18732 3810 1 12 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.794 -2.162 18732 3811 1 12 . 1 1 64 64 VAL N N 64 115.031 115.031 117.798 -2.767 18732 3812 1 12 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.625 0.395 18732 3813 1 12 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.859 -2.829 18732 3814 1 12 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.008 -0.856 18732 3815 1 12 . 1 1 65 65 PHE N N 65 122.208 122.208 123.901 -1.693 18732 3816 1 12 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.524 0.108 18732 3817 1 12 . 1 1 65 65 PHE CA C 65 54.000 54.000 55.911 -1.911 18732 3818 1 12 . 1 1 65 65 PHE CB C 65 39.295 39.295 42.553 -3.258 18732 3819 1 12 . 1 1 66 66 VAL N N 66 123.832 123.832 120.850 2.982 18732 3820 1 12 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.450 0.707 18732 3821 1 12 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.318 -2.684 18732 3822 1 12 . 1 1 66 66 VAL CB C 66 32.312 32.312 32.276 0.036 18732 3823 1 12 . 1 1 67 67 THR N N 67 125.293 125.293 125.314 -0.021 18732 3824 1 12 . 1 1 67 67 THR CA C 67 57.150 57.150 63.477 -6.327 18732 3825 1 12 . 1 1 67 67 THR CB C 67 67.050 67.050 67.633 -0.583 18732 3826 1 12 . 1 1 68 68 ILE N N 68 128.624 128.624 128.697 -0.073 18732 3827 1 12 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.229 0.634 18732 3828 1 12 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.853 -2.620 18732 3829 1 12 . 1 1 68 68 ILE CB C 68 39.314 39.314 38.882 0.432 18732 3830 1 12 . 1 1 69 69 SER N N 69 122.023 122.023 122.694 -0.671 18732 3831 1 12 . 1 1 69 69 SER HA H 69 5.804 5.804 5.279 0.525 18732 3832 1 12 . 1 1 69 69 SER CA C 69 53.530 53.530 57.250 -3.720 18732 3833 1 12 . 1 1 69 69 SER CB C 69 61.921 61.921 64.802 -2.881 18732 3834 1 12 . 1 1 70 70 PHE N N 70 123.800 123.800 121.846 1.954 18732 3835 1 12 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.436 -0.059 18732 3836 1 12 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.577 -2.434 18732 3837 1 12 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.692 -1.324 18732 3838 1 12 . 1 1 71 71 ASP N N 71 121.547 121.547 118.803 2.744 18732 3839 1 12 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.173 -0.074 18732 3840 1 12 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.742 -2.520 18732 3841 1 12 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.676 -3.831 18732 3842 1 12 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.487 -0.122 18732 3843 1 12 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.537 -2.938 18732 3844 1 12 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.158 -2.492 18732 3845 1 12 . 1 1 73 73 TYR N N 73 118.085 118.085 120.297 -2.212 18732 3846 1 12 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.256 0.370 18732 3847 1 12 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.754 -3.424 18732 3848 1 12 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.322 -2.742 18732 3849 1 12 . 1 1 74 74 SER N N 74 113.942 113.942 110.841 3.101 18732 3850 1 12 . 1 1 74 74 SER HA H 74 4.506 4.506 4.634 -0.128 18732 3851 1 12 . 1 1 74 74 SER CA C 74 56.253 56.253 58.432 -2.179 18732 3852 1 12 . 1 1 74 74 SER CB C 74 62.670 62.670 63.796 -1.126 18732 3853 1 12 . 1 1 75 75 GLN N N 75 115.717 115.717 118.856 -3.139 18732 3854 1 12 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.543 -0.299 18732 3855 1 12 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.145 -1.573 18732 3856 1 12 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.866 -3.244 18732 3857 1 12 . 1 1 76 76 LYS N N 76 119.205 119.205 119.260 -0.055 18732 3858 1 12 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.339 0.105 18732 3859 1 12 . 1 1 76 76 LYS CA C 76 54.013 54.013 56.670 -2.657 18732 3860 1 12 . 1 1 76 76 LYS CB C 76 31.375 31.375 32.994 -1.619 18732 3861 1 12 . 1 1 77 77 VAL N N 77 125.587 125.587 126.307 -0.720 18732 3862 1 12 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.151 -0.147 18732 3863 1 12 . 1 1 77 77 VAL CA C 77 61.558 61.558 62.348 -0.790 18732 3864 1 12 . 1 1 77 77 VAL CB C 77 30.401 30.401 32.578 -2.177 18732 3865 1 12 . 1 1 78 78 ASN N N 78 126.604 126.604 128.945 -2.341 18732 3866 1 12 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.762 0.188 18732 3867 1 12 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.944 -3.366 18732 3868 1 12 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.338 -1.977 18732 3869 1 12 . 1 1 79 79 LYS N N 79 118.463 118.463 118.435 0.028 18732 3870 1 12 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.716 -0.098 18732 3871 1 12 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.390 -1.818 18732 3872 1 12 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.777 -3.248 18732 3873 1 12 . 1 1 80 80 ILE N N 80 123.294 123.294 120.162 3.132 18732 3874 1 12 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.309 -0.238 18732 3875 1 12 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.611 -1.915 18732 3876 1 12 . 1 1 80 80 ILE CB C 80 38.260 38.260 40.880 -2.620 18732 3877 1 12 . 1 1 81 81 ALA N N 81 130.466 130.466 127.675 2.791 18732 3878 1 12 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.756 0.280 18732 3879 1 12 . 1 1 81 81 ALA CA C 81 48.222 48.222 50.844 -2.622 18732 3880 1 12 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.314 -2.240 18732 3881 1 12 . 1 1 82 82 ILE N N 82 122.249 122.249 118.342 3.907 18732 3882 1 12 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.935 0.307 18732 3883 1 12 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.952 -2.277 18732 3884 1 12 . 1 1 82 82 ILE CB C 82 37.792 37.792 42.453 -4.661 18732 3885 1 12 . 1 1 83 83 LEU N N 83 129.605 129.605 123.287 6.318 18732 3886 1 12 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.885 0.069 18732 3887 1 12 . 1 1 83 83 LEU CA C 83 51.332 51.332 54.191 -2.859 18732 3888 1 12 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.355 -2.880 18732 3889 1 12 . 1 1 84 84 GLU N N 84 125.594 125.594 122.791 2.803 18732 3890 1 12 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.738 -0.026 18732 3891 1 12 . 1 1 84 84 GLU CA C 84 54.390 54.390 54.788 -0.398 18732 3892 1 12 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.442 -5.320 18732 3893 1 12 . 1 1 85 85 GLU N N 85 123.904 123.904 126.493 -2.589 18732 3894 1 12 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.380 0.049 18732 3895 1 12 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.766 -2.870 18732 3896 1 12 . 1 1 85 85 GLU CB C 85 28.642 28.642 31.041 -2.399 18732 3897 1 12 . 1 1 86 86 TYR N N 86 123.323 123.323 120.345 2.978 18732 3898 1 12 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.918 -0.197 18732 3899 1 12 . 1 1 86 86 TYR CA C 86 53.909 53.909 55.898 -1.989 18732 3900 1 12 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.553 -2.957 18732 3901 1 13 . 1 1 2 2 GLU N N 2 120.598 120.598 120.294 0.304 18732 3902 1 13 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.706 -1.741 18732 3903 1 13 . 1 1 2 2 GLU CB C 2 27.978 27.978 31.244 -3.266 18732 3904 1 13 . 1 1 3 3 GLU N N 3 120.984 120.984 118.591 2.393 18732 3905 1 13 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.449 -0.251 18732 3906 1 13 . 1 1 3 3 GLU CA C 3 60.035 60.035 56.279 3.756 18732 3907 1 13 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.987 -0.719 18732 3908 1 13 . 1 1 4 4 THR N N 4 117.936 117.936 108.759 9.177 18732 3909 1 13 . 1 1 4 4 THR HA H 4 4.665 4.665 4.703 -0.038 18732 3910 1 13 . 1 1 4 4 THR CA C 4 57.307 57.307 58.346 -1.039 18732 3911 1 13 . 1 1 4 4 THR CB C 4 67.215 67.215 70.585 -3.370 18732 3912 1 13 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.849 -3.109 18732 3913 1 13 . 1 1 5 5 PRO CB C 5 29.700 29.700 31.690 -1.990 18732 3914 1 13 . 1 1 6 6 LEU N N 6 122.097 122.097 115.205 6.892 18732 3915 1 13 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.793 -0.412 18732 3916 1 13 . 1 1 6 6 LEU CA C 6 53.015 53.015 53.490 -0.475 18732 3917 1 13 . 1 1 6 6 LEU CB C 6 40.054 40.054 41.910 -1.856 18732 3918 1 13 . 1 1 8 8 THR N N 8 116.987 116.987 117.228 -0.241 18732 3919 1 13 . 1 1 8 8 THR HA H 8 4.348 4.348 4.178 0.170 18732 3920 1 13 . 1 1 8 8 THR CA C 8 59.340 59.340 64.841 -5.500 18732 3921 1 13 . 1 1 8 8 THR CB C 8 67.234 67.234 68.188 -0.954 18732 3922 1 13 . 1 1 9 9 ALA N N 9 125.944 125.944 129.824 -3.880 18732 3923 1 13 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.332 0.042 18732 3924 1 13 . 1 1 9 9 ALA CA C 9 50.009 50.009 51.806 -1.797 18732 3925 1 13 . 1 1 9 9 ALA CB C 9 16.807 16.807 20.006 -3.199 18732 3926 1 13 . 1 1 10 10 ARG N N 10 119.637 119.637 122.043 -2.406 18732 3927 1 13 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.496 -0.173 18732 3928 1 13 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.446 -1.914 18732 3929 1 13 . 1 1 10 10 ARG CB C 10 28.492 28.492 30.822 -2.330 18732 3930 1 13 . 1 1 11 11 HIS N N 11 119.667 119.667 119.921 -0.254 18732 3931 1 13 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.399 0.318 18732 3932 1 13 . 1 1 11 11 HIS CA C 11 52.790 52.790 56.261 -3.471 18732 3933 1 13 . 1 1 11 11 HIS CB C 11 27.033 27.033 29.074 -2.041 18732 3934 1 13 . 1 1 12 12 MET N N 12 122.280 122.280 124.407 -2.127 18732 3935 1 13 . 1 1 12 12 MET HA H 12 4.543 4.543 4.758 -0.215 18732 3936 1 13 . 1 1 12 12 MET CA C 12 53.058 53.058 54.382 -1.324 18732 3937 1 13 . 1 1 12 12 MET CB C 12 29.647 29.647 33.844 -4.197 18732 3938 1 13 . 1 1 13 13 SER N N 13 118.363 118.363 115.558 2.805 18732 3939 1 13 . 1 1 13 13 SER HA H 13 4.515 4.515 4.734 -0.219 18732 3940 1 13 . 1 1 13 13 SER CA C 13 55.083 55.083 57.704 -2.621 18732 3941 1 13 . 1 1 13 13 SER CB C 13 62.243 62.243 64.040 -1.797 18732 3942 1 13 . 1 1 14 14 LYS N N 14 123.039 123.039 121.486 1.553 18732 3943 1 13 . 1 1 14 14 LYS HA H 14 3.926 3.926 4.008 -0.082 18732 3944 1 13 . 1 1 14 14 LYS CA C 14 55.880 55.880 57.986 -2.106 18732 3945 1 13 . 1 1 14 14 LYS CB C 14 29.495 29.495 32.054 -2.559 18732 3946 1 13 . 1 1 15 15 TRP N N 15 118.585 118.585 118.209 0.376 18732 3947 1 13 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.764 -0.385 18732 3948 1 13 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.371 -0.802 18732 3949 1 13 . 1 1 15 15 TRP CB C 15 27.426 27.426 29.988 -2.562 18732 3950 1 13 . 1 1 16 16 GLU N N 16 119.418 119.418 120.255 -0.837 18732 3951 1 13 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.707 -0.731 18732 3952 1 13 . 1 1 16 16 GLU CA C 16 56.540 56.540 59.900 -3.360 18732 3953 1 13 . 1 1 16 16 GLU CB C 16 27.787 27.787 28.895 -1.108 18732 3954 1 13 . 1 1 17 17 GLU N N 17 117.377 117.377 120.237 -2.860 18732 3955 1 13 . 1 1 17 17 GLU HA H 17 3.910 3.910 3.998 -0.088 18732 3956 1 13 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.157 -2.259 18732 3957 1 13 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.119 -2.266 18732 3958 1 13 . 1 1 18 18 ILE N N 18 119.807 119.807 119.825 -0.018 18732 3959 1 13 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.718 -0.050 18732 3960 1 13 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.183 -2.438 18732 3961 1 13 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.724 -2.061 18732 3962 1 13 . 1 1 19 19 ALA N N 19 121.744 121.744 122.449 -0.705 18732 3963 1 13 . 1 1 19 19 ALA HA H 19 3.955 3.955 3.828 0.127 18732 3964 1 13 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.147 -1.704 18732 3965 1 13 . 1 1 19 19 ALA CB C 19 15.274 15.274 17.714 -2.440 18732 3966 1 13 . 1 1 20 20 VAL N N 20 115.918 115.918 118.378 -2.460 18732 3967 1 13 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.535 -0.136 18732 3968 1 13 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.693 -2.364 18732 3969 1 13 . 1 1 20 20 VAL CB C 20 29.404 29.404 30.913 -1.509 18732 3970 1 13 . 1 1 21 21 LYS N N 21 119.785 119.785 119.555 0.230 18732 3971 1 13 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.906 0.015 18732 3972 1 13 . 1 1 21 21 LYS CA C 21 57.442 57.442 59.877 -2.435 18732 3973 1 13 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.165 1.347 18732 3974 1 13 . 1 1 22 22 GLU N N 22 118.955 118.955 119.104 -0.149 18732 3975 1 13 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.072 -0.003 18732 3976 1 13 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.491 -3.230 18732 3977 1 13 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.683 -3.587 18732 3978 1 13 . 1 1 23 23 ALA N N 23 122.253 122.253 119.399 2.854 18732 3979 1 13 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.381 -0.280 18732 3980 1 13 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.412 -1.186 18732 3981 1 13 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.671 -3.162 18732 3982 1 13 . 1 1 24 24 LYS N N 24 116.889 116.889 113.083 3.806 18732 3983 1 13 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.465 -0.446 18732 3984 1 13 . 1 1 24 24 LYS CA C 24 55.745 55.745 56.960 -1.215 18732 3985 1 13 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.387 -4.202 18732 3986 1 13 . 1 1 25 25 LYS N N 25 117.772 117.772 118.857 -1.085 18732 3987 1 13 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.481 -0.458 18732 3988 1 13 . 1 1 25 25 LYS CA C 25 56.340 56.340 57.447 -1.107 18732 3989 1 13 . 1 1 25 25 LYS CB C 25 30.202 30.202 33.110 -2.908 18732 3990 1 13 . 1 1 26 26 ARG N N 26 117.176 117.176 120.062 -2.886 18732 3991 1 13 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.009 0.048 18732 3992 1 13 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.713 -3.722 18732 3993 1 13 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.194 -2.160 18732 3994 1 13 . 1 1 27 27 TYR N N 27 117.344 117.344 117.032 0.312 18732 3995 1 13 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.954 0.128 18732 3996 1 13 . 1 1 27 27 TYR CA C 27 52.558 52.558 53.954 -1.396 18732 3997 1 13 . 1 1 27 27 TYR CB C 27 35.987 35.987 37.905 -1.918 18732 3998 1 13 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.493 0.256 18732 3999 1 13 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.549 -2.155 18732 4000 1 13 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.250 -2.395 18732 4001 1 13 . 1 1 29 29 LEU N N 29 117.758 117.758 115.821 1.937 18732 4002 1 13 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.649 -0.060 18732 4003 1 13 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.414 -2.840 18732 4004 1 13 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.652 -2.762 18732 4005 1 13 . 1 1 30 30 ALA N N 30 122.493 122.493 119.989 2.504 18732 4006 1 13 . 1 1 30 30 ALA HA H 30 4.851 4.851 5.060 -0.209 18732 4007 1 13 . 1 1 30 30 ALA CA C 30 48.855 48.855 51.164 -2.309 18732 4008 1 13 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.152 -2.484 18732 4009 1 13 . 1 1 31 31 GLN N N 31 118.936 118.936 116.234 2.702 18732 4010 1 13 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.718 -0.079 18732 4011 1 13 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.416 -3.145 18732 4012 1 13 . 1 1 31 31 GLN CB C 31 28.843 28.843 33.137 -4.294 18732 4013 1 13 . 1 1 32 32 VAL N N 32 123.815 123.815 121.599 2.216 18732 4014 1 13 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.498 0.167 18732 4015 1 13 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.088 -0.823 18732 4016 1 13 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.579 -3.701 18732 4017 1 13 . 1 1 33 33 LEU N N 33 128.709 128.709 124.251 4.458 18732 4018 1 13 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.606 -0.364 18732 4019 1 13 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.119 -0.736 18732 4020 1 13 . 1 1 33 33 LEU CB C 33 41.123 41.123 43.296 -2.173 18732 4021 1 13 . 1 1 34 34 PHE N N 34 114.779 114.779 119.116 -4.337 18732 4022 1 13 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.622 -0.716 18732 4023 1 13 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.410 -3.495 18732 4024 1 13 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.309 -2.655 18732 4025 1 13 . 1 1 35 35 LYS N N 35 120.077 120.077 123.212 -3.135 18732 4026 1 13 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.662 0.576 18732 4027 1 13 . 1 1 35 35 LYS CA C 35 52.297 52.297 56.115 -3.818 18732 4028 1 13 . 1 1 35 35 LYS CB C 35 32.998 32.998 32.651 0.347 18732 4029 1 13 . 1 1 36 36 GLN N N 36 119.491 119.491 122.323 -2.832 18732 4030 1 13 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.805 0.431 18732 4031 1 13 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.328 -2.131 18732 4032 1 13 . 1 1 36 36 GLN CB C 36 30.609 30.609 34.008 -3.399 18732 4033 1 13 . 1 1 37 37 LYS N N 37 128.471 128.471 122.293 6.178 18732 4034 1 13 . 1 1 37 37 LYS HA H 37 4.795 4.795 3.523 1.272 18732 4035 1 13 . 1 1 37 37 LYS CA C 37 54.661 54.661 56.632 -1.971 18732 4036 1 13 . 1 1 37 37 LYS CB C 37 31.273 31.273 32.706 -1.433 18732 4037 1 13 . 1 1 38 38 VAL N N 38 125.112 125.112 111.440 13.672 18732 4038 1 13 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.461 -0.124 18732 4039 1 13 . 1 1 38 38 VAL CA C 38 60.252 60.252 62.208 -1.956 18732 4040 1 13 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.866 -3.146 18732 4041 1 13 . 1 1 39 39 TRP N N 39 123.085 123.085 123.871 -0.786 18732 4042 1 13 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.865 -0.016 18732 4043 1 13 . 1 1 39 39 TRP CA C 39 54.206 54.206 57.017 -2.812 18732 4044 1 13 . 1 1 39 39 TRP CB C 39 30.461 30.461 32.205 -1.744 18732 4045 1 13 . 1 1 40 40 ASP N N 40 123.000 123.000 125.299 -2.299 18732 4046 1 13 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.708 0.420 18732 4047 1 13 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.395 -2.290 18732 4048 1 13 . 1 1 40 40 ASP CB C 40 41.077 41.077 42.093 -1.016 18732 4049 1 13 . 1 1 41 41 ARG N N 41 123.259 123.259 121.253 2.006 18732 4050 1 13 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.608 -0.060 18732 4051 1 13 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.401 -1.778 18732 4052 1 13 . 1 1 41 41 ARG CB C 41 31.417 31.417 32.259 -0.842 18732 4053 1 13 . 1 1 42 42 LYS N N 42 124.798 124.798 116.769 8.029 18732 4054 1 13 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.373 0.315 18732 4055 1 13 . 1 1 42 42 LYS CA C 42 53.773 53.773 55.270 -1.497 18732 4056 1 13 . 1 1 42 42 LYS CB C 42 31.787 31.787 34.392 -2.605 18732 4057 1 13 . 1 1 43 43 ARG N N 43 124.461 124.461 119.483 4.978 18732 4058 1 13 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.605 0.044 18732 4059 1 13 . 1 1 43 43 ARG CA C 43 52.179 52.179 54.959 -2.780 18732 4060 1 13 . 1 1 43 43 ARG CB C 43 30.149 30.149 31.070 -0.921 18732 4061 1 13 . 1 1 44 44 LYS N N 44 121.297 121.297 120.521 0.776 18732 4062 1 13 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.148 -0.125 18732 4063 1 13 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.355 -1.719 18732 4064 1 13 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.678 -2.566 18732 4065 1 13 . 1 1 45 45 ASP N N 45 115.145 115.145 119.087 -3.942 18732 4066 1 13 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.838 -0.088 18732 4067 1 13 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.659 -2.559 18732 4068 1 13 . 1 1 45 45 ASP CB C 45 38.693 38.693 40.172 -1.479 18732 4069 1 13 . 1 1 46 46 GLU N N 46 118.274 118.274 119.056 -0.782 18732 4070 1 13 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.358 0.109 18732 4071 1 13 . 1 1 46 46 GLU CA C 46 53.722 53.722 56.386 -2.664 18732 4072 1 13 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.447 -3.377 18732 4073 1 13 . 1 1 47 47 ALA N N 47 127.506 127.506 122.287 5.219 18732 4074 1 13 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.920 -0.226 18732 4075 1 13 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.397 -2.289 18732 4076 1 13 . 1 1 47 47 ALA CB C 47 18.842 18.842 21.674 -2.832 18732 4077 1 13 . 1 1 48 48 VAL N N 48 118.088 118.088 120.329 -2.241 18732 4078 1 13 . 1 1 48 48 VAL HA H 48 5.345 5.345 5.093 0.252 18732 4079 1 13 . 1 1 48 48 VAL CA C 48 57.625 57.625 60.890 -3.265 18732 4080 1 13 . 1 1 48 48 VAL CB C 48 33.496 33.496 35.938 -2.442 18732 4081 1 13 . 1 1 49 49 LYS N N 49 124.725 124.725 124.951 -0.226 18732 4082 1 13 . 1 1 49 49 LYS HA H 49 5.357 5.357 5.065 0.292 18732 4083 1 13 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.471 -3.432 18732 4084 1 13 . 1 1 50 50 GLN N N 50 121.028 121.028 121.432 -0.404 18732 4085 1 13 . 1 1 50 50 GLN HA H 50 4.986 4.986 5.031 -0.045 18732 4086 1 13 . 1 1 50 50 GLN CA C 50 52.113 52.113 54.898 -2.785 18732 4087 1 13 . 1 1 50 50 GLN CB C 50 23.684 23.684 33.863 -10.179 18732 4088 1 13 . 1 1 51 51 TYR N N 51 124.549 124.549 119.318 5.231 18732 4089 1 13 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.989 0.229 18732 4090 1 13 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.194 -2.644 18732 4091 1 13 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.419 -2.139 18732 4092 1 13 . 1 1 52 52 HIS N N 52 121.301 121.301 120.983 0.318 18732 4093 1 13 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.181 0.038 18732 4094 1 13 . 1 1 52 52 HIS CA C 52 51.708 51.708 54.607 -2.899 18732 4095 1 13 . 1 1 52 52 HIS CB C 52 28.907 28.907 31.627 -2.720 18732 4096 1 13 . 1 1 53 53 LEU N N 53 127.743 127.743 126.431 1.312 18732 4097 1 13 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.634 0.574 18732 4098 1 13 . 1 1 53 53 LEU CA C 53 50.887 50.887 53.935 -3.048 18732 4099 1 13 . 1 1 53 53 LEU CB C 53 42.084 42.084 46.090 -4.006 18732 4100 1 13 . 1 1 54 54 THR N N 54 117.996 117.996 115.593 2.403 18732 4101 1 13 . 1 1 54 54 THR HA H 54 4.600 4.600 4.477 0.123 18732 4102 1 13 . 1 1 54 54 THR CA C 54 59.774 59.774 61.040 -1.266 18732 4103 1 13 . 1 1 54 54 THR CB C 54 67.153 67.153 70.388 -3.235 18732 4104 1 13 . 1 1 55 55 LEU N N 55 129.329 129.329 124.988 4.341 18732 4105 1 13 . 1 1 55 55 LEU HA H 55 5.074 5.074 5.048 0.026 18732 4106 1 13 . 1 1 55 55 LEU CA C 55 50.769 50.769 52.688 -1.919 18732 4107 1 13 . 1 1 55 55 LEU CB C 55 42.090 42.090 43.499 -1.409 18732 4108 1 13 . 1 1 56 56 ARG N N 56 117.231 117.231 120.227 -2.996 18732 4109 1 13 . 1 1 56 56 ARG HA H 56 5.357 5.357 5.244 0.113 18732 4110 1 13 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.595 -2.720 18732 4111 1 13 . 1 1 56 56 ARG CB C 56 31.945 31.945 34.004 -2.059 18732 4112 1 13 . 1 1 57 57 GLU N N 57 128.411 128.411 127.745 0.666 18732 4113 1 13 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.834 -0.143 18732 4114 1 13 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.312 -2.447 18732 4115 1 13 . 1 1 57 57 GLU CB C 57 29.942 29.942 32.462 -2.520 18732 4116 1 13 . 1 1 58 58 GLY N N 58 118.265 118.265 116.704 1.561 18732 4117 1 13 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.306 -2.363 18732 4118 1 13 . 1 1 59 59 SER N N 59 122.061 122.061 119.380 2.681 18732 4119 1 13 . 1 1 59 59 SER HA H 59 4.567 4.567 4.656 -0.089 18732 4120 1 13 . 1 1 59 59 SER CA C 59 55.730 55.730 57.455 -1.725 18732 4121 1 13 . 1 1 59 59 SER CB C 59 61.262 61.262 64.004 -2.741 18732 4122 1 13 . 1 1 60 60 LYS N N 60 124.154 124.154 123.599 0.555 18732 4123 1 13 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.495 0.125 18732 4124 1 13 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.903 -2.459 18732 4125 1 13 . 1 1 60 60 LYS CB C 60 32.144 32.144 34.495 -2.351 18732 4126 1 13 . 1 1 61 61 GLU N N 61 125.701 125.701 123.013 2.688 18732 4127 1 13 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.565 -0.051 18732 4128 1 13 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.005 -2.899 18732 4129 1 13 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.985 -3.445 18732 4130 1 13 . 1 1 62 62 PHE N N 62 121.360 121.360 119.615 1.745 18732 4131 1 13 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.812 0.234 18732 4132 1 13 . 1 1 62 62 PHE CA C 62 53.363 53.363 56.029 -2.666 18732 4133 1 13 . 1 1 62 62 PHE CB C 62 37.799 37.799 40.795 -2.996 18732 4134 1 13 . 1 1 63 63 GLY N N 63 107.546 107.546 110.239 -2.693 18732 4135 1 13 . 1 1 63 63 GLY CA C 63 41.632 41.632 44.113 -2.481 18732 4136 1 13 . 1 1 64 64 VAL N N 64 115.031 115.031 116.264 -1.233 18732 4137 1 13 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.537 0.483 18732 4138 1 13 . 1 1 64 64 VAL CA C 64 57.030 57.030 58.833 -1.803 18732 4139 1 13 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.073 -0.921 18732 4140 1 13 . 1 1 65 65 PHE N N 65 122.208 122.208 120.512 1.696 18732 4141 1 13 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.183 0.449 18732 4142 1 13 . 1 1 65 65 PHE CA C 65 54.000 54.000 55.600 -1.601 18732 4143 1 13 . 1 1 65 65 PHE CB C 65 39.295 39.295 39.891 -0.596 18732 4144 1 13 . 1 1 66 66 VAL N N 66 123.832 123.832 125.428 -1.596 18732 4145 1 13 . 1 1 66 66 VAL HA H 66 5.157 5.157 3.987 1.170 18732 4146 1 13 . 1 1 66 66 VAL CA C 66 58.634 58.634 63.699 -5.065 18732 4147 1 13 . 1 1 66 66 VAL CB C 66 32.312 32.312 32.306 0.006 18732 4148 1 13 . 1 1 67 67 THR N N 67 125.293 125.293 123.192 2.101 18732 4149 1 13 . 1 1 67 67 THR CA C 67 57.150 57.150 61.722 -4.572 18732 4150 1 13 . 1 1 67 67 THR CB C 67 67.050 67.050 69.949 -2.899 18732 4151 1 13 . 1 1 68 68 ILE N N 68 128.624 128.624 129.035 -0.411 18732 4152 1 13 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.408 0.455 18732 4153 1 13 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.684 -2.451 18732 4154 1 13 . 1 1 68 68 ILE CB C 68 39.314 39.314 40.036 -0.722 18732 4155 1 13 . 1 1 69 69 SER N N 69 122.023 122.023 123.033 -1.010 18732 4156 1 13 . 1 1 69 69 SER HA H 69 5.804 5.804 5.363 0.441 18732 4157 1 13 . 1 1 69 69 SER CA C 69 53.530 53.530 57.932 -4.402 18732 4158 1 13 . 1 1 69 69 SER CB C 69 61.921 61.921 64.494 -2.573 18732 4159 1 13 . 1 1 70 70 PHE N N 70 123.800 123.800 122.016 1.784 18732 4160 1 13 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.440 -0.063 18732 4161 1 13 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.335 -2.192 18732 4162 1 13 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.240 -0.872 18732 4163 1 13 . 1 1 71 71 ASP N N 71 121.547 121.547 118.509 3.038 18732 4164 1 13 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.138 -0.039 18732 4165 1 13 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.311 -2.089 18732 4166 1 13 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.361 -3.516 18732 4167 1 13 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.513 -0.148 18732 4168 1 13 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.068 -2.469 18732 4169 1 13 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.182 -2.516 18732 4170 1 13 . 1 1 73 73 TYR N N 73 118.085 118.085 121.063 -2.978 18732 4171 1 13 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.251 0.375 18732 4172 1 13 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.643 -3.313 18732 4173 1 13 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.447 -2.867 18732 4174 1 13 . 1 1 74 74 SER N N 74 113.942 113.942 111.597 2.345 18732 4175 1 13 . 1 1 74 74 SER HA H 74 4.506 4.506 4.568 -0.062 18732 4176 1 13 . 1 1 74 74 SER CA C 74 56.253 56.253 58.628 -2.375 18732 4177 1 13 . 1 1 74 74 SER CB C 74 62.670 62.670 63.487 -0.818 18732 4178 1 13 . 1 1 75 75 GLN N N 75 115.717 115.717 119.332 -3.615 18732 4179 1 13 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.532 -0.288 18732 4180 1 13 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.118 -1.546 18732 4181 1 13 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.702 -3.079 18732 4182 1 13 . 1 1 76 76 LYS N N 76 119.205 119.205 120.802 -1.597 18732 4183 1 13 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.332 0.112 18732 4184 1 13 . 1 1 76 76 LYS CA C 76 54.013 54.013 56.037 -2.024 18732 4185 1 13 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.183 -1.808 18732 4186 1 13 . 1 1 77 77 VAL N N 77 125.587 125.587 125.265 0.322 18732 4187 1 13 . 1 1 77 77 VAL HA H 77 4.004 4.004 3.916 0.088 18732 4188 1 13 . 1 1 77 77 VAL CA C 77 61.558 61.558 63.757 -2.199 18732 4189 1 13 . 1 1 77 77 VAL CB C 77 30.401 30.401 31.494 -1.093 18732 4190 1 13 . 1 1 78 78 ASN N N 78 126.604 126.604 128.297 -1.693 18732 4191 1 13 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.805 0.145 18732 4192 1 13 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.672 -3.095 18732 4193 1 13 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.861 -2.501 18732 4194 1 13 . 1 1 79 79 LYS N N 79 118.463 118.463 118.457 0.006 18732 4195 1 13 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.721 -0.103 18732 4196 1 13 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.395 -1.823 18732 4197 1 13 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.884 -3.355 18732 4198 1 13 . 1 1 80 80 ILE N N 80 123.294 123.294 120.697 2.597 18732 4199 1 13 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.158 -0.087 18732 4200 1 13 . 1 1 80 80 ILE CA C 80 57.696 57.696 60.019 -2.323 18732 4201 1 13 . 1 1 80 80 ILE CB C 80 38.260 38.260 42.045 -3.785 18732 4202 1 13 . 1 1 81 81 ALA N N 81 130.466 130.466 127.947 2.519 18732 4203 1 13 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.717 0.319 18732 4204 1 13 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.113 -2.891 18732 4205 1 13 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.462 -2.388 18732 4206 1 13 . 1 1 82 82 ILE N N 82 122.249 122.249 119.106 3.143 18732 4207 1 13 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.667 0.575 18732 4208 1 13 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.451 -1.776 18732 4209 1 13 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.488 -3.696 18732 4210 1 13 . 1 1 83 83 LEU N N 83 129.605 129.605 126.813 2.792 18732 4211 1 13 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.972 -0.018 18732 4212 1 13 . 1 1 83 83 LEU CA C 83 51.332 51.332 54.081 -2.749 18732 4213 1 13 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.235 -2.760 18732 4214 1 13 . 1 1 84 84 GLU N N 84 125.594 125.594 123.602 1.992 18732 4215 1 13 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.595 0.117 18732 4216 1 13 . 1 1 84 84 GLU CA C 84 54.390 54.390 54.953 -0.562 18732 4217 1 13 . 1 1 84 84 GLU CB C 84 28.122 28.122 32.806 -4.684 18732 4218 1 13 . 1 1 85 85 GLU N N 85 123.904 123.904 126.504 -2.600 18732 4219 1 13 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.311 0.118 18732 4220 1 13 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.665 -2.769 18732 4221 1 13 . 1 1 85 85 GLU CB C 85 28.642 28.642 30.456 -1.814 18732 4222 1 13 . 1 1 86 86 TYR N N 86 123.323 123.323 119.613 3.710 18732 4223 1 13 . 1 1 86 86 TYR HA H 86 4.721 4.721 5.089 -0.368 18732 4224 1 13 . 1 1 86 86 TYR CA C 86 53.909 53.909 57.098 -3.189 18732 4225 1 13 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.665 -3.069 18732 4226 1 14 . 1 1 2 2 GLU N N 2 120.598 120.598 120.570 0.028 18732 4227 1 14 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.664 -1.700 18732 4228 1 14 . 1 1 2 2 GLU CB C 2 27.978 27.978 31.421 -3.443 18732 4229 1 14 . 1 1 3 3 GLU N N 3 120.984 120.984 120.451 0.533 18732 4230 1 14 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.328 -0.130 18732 4231 1 14 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.392 2.643 18732 4232 1 14 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.673 -0.405 18732 4233 1 14 . 1 1 4 4 THR N N 4 117.936 117.936 106.100 11.836 18732 4234 1 14 . 1 1 4 4 THR HA H 4 4.665 4.665 4.393 0.272 18732 4235 1 14 . 1 1 4 4 THR CA C 4 57.307 57.307 59.508 -2.201 18732 4236 1 14 . 1 1 4 4 THR CB C 4 67.215 67.215 70.238 -3.023 18732 4237 1 14 . 1 1 5 5 PRO CA C 5 60.740 60.740 64.002 -3.263 18732 4238 1 14 . 1 1 5 5 PRO CB C 5 29.700 29.700 31.701 -2.001 18732 4239 1 14 . 1 1 6 6 LEU N N 6 122.097 122.097 114.954 7.143 18732 4240 1 14 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.662 -0.281 18732 4241 1 14 . 1 1 6 6 LEU CA C 6 53.015 53.015 53.597 -0.582 18732 4242 1 14 . 1 1 6 6 LEU CB C 6 40.054 40.054 41.755 -1.701 18732 4243 1 14 . 1 1 8 8 THR N N 8 116.987 116.987 113.191 3.796 18732 4244 1 14 . 1 1 8 8 THR HA H 8 4.348 4.348 4.478 -0.130 18732 4245 1 14 . 1 1 8 8 THR CA C 8 59.340 59.340 61.555 -2.215 18732 4246 1 14 . 1 1 8 8 THR CB C 8 67.234 67.234 71.391 -4.157 18732 4247 1 14 . 1 1 9 9 ALA N N 9 125.944 125.944 124.721 1.223 18732 4248 1 14 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.783 -0.409 18732 4249 1 14 . 1 1 9 9 ALA CA C 9 50.009 50.009 51.863 -1.854 18732 4250 1 14 . 1 1 9 9 ALA CB C 9 16.807 16.807 21.253 -4.446 18732 4251 1 14 . 1 1 10 10 ARG N N 10 119.637 119.637 119.991 -0.354 18732 4252 1 14 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.516 -0.193 18732 4253 1 14 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.610 -2.078 18732 4254 1 14 . 1 1 10 10 ARG CB C 10 28.492 28.492 32.003 -3.511 18732 4255 1 14 . 1 1 11 11 HIS N N 11 119.667 119.667 122.091 -2.424 18732 4256 1 14 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.296 0.421 18732 4257 1 14 . 1 1 11 11 HIS CA C 11 52.790 52.790 56.464 -3.674 18732 4258 1 14 . 1 1 11 11 HIS CB C 11 27.033 27.033 29.711 -2.678 18732 4259 1 14 . 1 1 12 12 MET N N 12 122.280 122.280 122.667 -0.387 18732 4260 1 14 . 1 1 12 12 MET HA H 12 4.543 4.543 4.434 0.109 18732 4261 1 14 . 1 1 12 12 MET CA C 12 53.058 53.058 55.522 -2.464 18732 4262 1 14 . 1 1 12 12 MET CB C 12 29.647 29.647 33.436 -3.789 18732 4263 1 14 . 1 1 13 13 SER N N 13 118.363 118.363 114.761 3.602 18732 4264 1 14 . 1 1 13 13 SER HA H 13 4.515 4.515 4.412 0.103 18732 4265 1 14 . 1 1 13 13 SER CA C 13 55.083 55.083 59.087 -4.004 18732 4266 1 14 . 1 1 13 13 SER CB C 13 62.243 62.243 64.168 -1.925 18732 4267 1 14 . 1 1 14 14 LYS N N 14 123.039 123.039 119.835 3.204 18732 4268 1 14 . 1 1 14 14 LYS HA H 14 3.926 3.926 4.054 -0.128 18732 4269 1 14 . 1 1 14 14 LYS CA C 14 55.880 55.880 57.265 -1.385 18732 4270 1 14 . 1 1 14 14 LYS CB C 14 29.495 29.495 32.341 -2.846 18732 4271 1 14 . 1 1 15 15 TRP N N 15 118.585 118.585 117.418 1.167 18732 4272 1 14 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.921 -0.542 18732 4273 1 14 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.577 -1.008 18732 4274 1 14 . 1 1 15 15 TRP CB C 15 27.426 27.426 30.420 -2.994 18732 4275 1 14 . 1 1 16 16 GLU N N 16 119.418 119.418 121.657 -2.239 18732 4276 1 14 . 1 1 16 16 GLU HA H 16 2.976 2.976 4.168 -1.192 18732 4277 1 14 . 1 1 16 16 GLU CA C 16 56.540 56.540 58.861 -2.321 18732 4278 1 14 . 1 1 16 16 GLU CB C 16 27.787 27.787 28.397 -0.610 18732 4279 1 14 . 1 1 17 17 GLU N N 17 117.377 117.377 119.115 -1.738 18732 4280 1 14 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.034 -0.124 18732 4281 1 14 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.418 -2.520 18732 4282 1 14 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.206 -2.353 18732 4283 1 14 . 1 1 18 18 ILE N N 18 119.807 119.807 119.553 0.254 18732 4284 1 14 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.778 -0.110 18732 4285 1 14 . 1 1 18 18 ILE CA C 18 62.745 62.745 64.968 -2.223 18732 4286 1 14 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.777 -2.114 18732 4287 1 14 . 1 1 19 19 ALA N N 19 121.744 121.744 120.329 1.415 18732 4288 1 14 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.106 -0.151 18732 4289 1 14 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.184 -1.742 18732 4290 1 14 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.501 -3.227 18732 4291 1 14 . 1 1 20 20 VAL N N 20 115.918 115.918 118.933 -3.015 18732 4292 1 14 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.682 -0.283 18732 4293 1 14 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.129 -1.800 18732 4294 1 14 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.649 -2.245 18732 4295 1 14 . 1 1 21 21 LYS N N 21 119.785 119.785 119.036 0.749 18732 4296 1 14 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.986 -0.065 18732 4297 1 14 . 1 1 21 21 LYS CA C 21 57.442 57.442 59.773 -2.331 18732 4298 1 14 . 1 1 21 21 LYS CB C 21 33.512 33.512 31.886 1.626 18732 4299 1 14 . 1 1 22 22 GLU N N 22 118.955 118.955 120.177 -1.222 18732 4300 1 14 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.109 -0.040 18732 4301 1 14 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.394 -3.133 18732 4302 1 14 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.516 -3.420 18732 4303 1 14 . 1 1 23 23 ALA N N 23 122.253 122.253 118.205 4.048 18732 4304 1 14 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.343 -0.242 18732 4305 1 14 . 1 1 23 23 ALA CA C 23 53.226 53.226 53.794 -0.568 18732 4306 1 14 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.426 -2.917 18732 4307 1 14 . 1 1 24 24 LYS N N 24 116.889 116.889 114.894 1.995 18732 4308 1 14 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.430 -0.411 18732 4309 1 14 . 1 1 24 24 LYS CA C 24 55.745 55.745 57.650 -1.905 18732 4310 1 14 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.635 -4.450 18732 4311 1 14 . 1 1 25 25 LYS N N 25 117.772 117.772 121.813 -4.041 18732 4312 1 14 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.231 -0.208 18732 4313 1 14 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.673 -2.333 18732 4314 1 14 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.089 -1.887 18732 4315 1 14 . 1 1 26 26 ARG N N 26 117.176 117.176 119.049 -1.873 18732 4316 1 14 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.045 0.012 18732 4317 1 14 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.378 -3.387 18732 4318 1 14 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.610 -2.576 18732 4319 1 14 . 1 1 27 27 TYR N N 27 117.344 117.344 118.081 -0.737 18732 4320 1 14 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.952 0.130 18732 4321 1 14 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.206 -2.648 18732 4322 1 14 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.893 -2.906 18732 4323 1 14 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.385 0.364 18732 4324 1 14 . 1 1 28 28 PRO CA C 28 62.393 62.393 65.032 -2.639 18732 4325 1 14 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.004 -2.149 18732 4326 1 14 . 1 1 29 29 LEU N N 29 117.758 117.758 117.033 0.725 18732 4327 1 14 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.343 0.246 18732 4328 1 14 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.956 -3.382 18732 4329 1 14 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.196 -2.306 18732 4330 1 14 . 1 1 30 30 ALA N N 30 122.493 122.493 117.828 4.665 18732 4331 1 14 . 1 1 30 30 ALA HA H 30 4.851 4.851 5.005 -0.154 18732 4332 1 14 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.988 -2.133 18732 4333 1 14 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.147 -2.479 18732 4334 1 14 . 1 1 31 31 GLN N N 31 118.936 118.936 116.690 2.246 18732 4335 1 14 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.741 -0.102 18732 4336 1 14 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.522 -3.251 18732 4337 1 14 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.614 -3.771 18732 4338 1 14 . 1 1 32 32 VAL N N 32 123.815 123.815 121.034 2.781 18732 4339 1 14 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.379 0.286 18732 4340 1 14 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.376 -1.111 18732 4341 1 14 . 1 1 32 32 VAL CB C 32 28.878 28.878 33.295 -4.417 18732 4342 1 14 . 1 1 33 33 LEU N N 33 128.709 128.709 122.472 6.237 18732 4343 1 14 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.778 -0.536 18732 4344 1 14 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.220 -0.837 18732 4345 1 14 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.399 -1.276 18732 4346 1 14 . 1 1 34 34 PHE N N 34 114.779 114.779 119.076 -4.297 18732 4347 1 14 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.626 -0.720 18732 4348 1 14 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.453 -3.538 18732 4349 1 14 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.587 -2.934 18732 4350 1 14 . 1 1 35 35 LYS N N 35 120.077 120.077 122.802 -2.725 18732 4351 1 14 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.607 0.631 18732 4352 1 14 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.673 -3.376 18732 4353 1 14 . 1 1 35 35 LYS CB C 35 32.998 32.998 33.162 -0.164 18732 4354 1 14 . 1 1 36 36 GLN N N 36 119.491 119.491 123.694 -4.203 18732 4355 1 14 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.729 0.507 18732 4356 1 14 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.573 -2.376 18732 4357 1 14 . 1 1 36 36 GLN CB C 36 30.609 30.609 32.725 -2.116 18732 4358 1 14 . 1 1 37 37 LYS N N 37 128.471 128.471 124.465 4.006 18732 4359 1 14 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.266 0.529 18732 4360 1 14 . 1 1 37 37 LYS CA C 37 54.661 54.661 57.674 -3.013 18732 4361 1 14 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.289 -2.016 18732 4362 1 14 . 1 1 38 38 VAL N N 38 125.112 125.112 117.390 7.722 18732 4363 1 14 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.547 -0.210 18732 4364 1 14 . 1 1 38 38 VAL CA C 38 60.252 60.252 60.319 -0.067 18732 4365 1 14 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.175 -2.455 18732 4366 1 14 . 1 1 39 39 TRP N N 39 123.085 123.085 123.392 -0.307 18732 4367 1 14 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.466 0.383 18732 4368 1 14 . 1 1 39 39 TRP CA C 39 54.206 54.206 58.197 -3.990 18732 4369 1 14 . 1 1 39 39 TRP CB C 39 30.461 30.461 30.192 0.269 18732 4370 1 14 . 1 1 40 40 ASP N N 40 123.000 123.000 125.393 -2.393 18732 4371 1 14 . 1 1 40 40 ASP HA H 40 5.128 5.128 5.022 0.106 18732 4372 1 14 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.008 -1.903 18732 4373 1 14 . 1 1 40 40 ASP CB C 40 41.077 41.077 43.246 -2.169 18732 4374 1 14 . 1 1 41 41 ARG N N 41 123.259 123.259 122.810 0.449 18732 4375 1 14 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.259 0.289 18732 4376 1 14 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.817 -2.194 18732 4377 1 14 . 1 1 41 41 ARG CB C 41 31.417 31.417 33.482 -2.065 18732 4378 1 14 . 1 1 42 42 LYS N N 42 124.798 124.798 122.205 2.593 18732 4379 1 14 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.532 0.156 18732 4380 1 14 . 1 1 42 42 LYS CA C 42 53.773 53.773 55.157 -1.385 18732 4381 1 14 . 1 1 42 42 LYS CB C 42 31.787 31.787 34.016 -2.229 18732 4382 1 14 . 1 1 43 43 ARG N N 43 124.461 124.461 123.931 0.530 18732 4383 1 14 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.341 0.308 18732 4384 1 14 . 1 1 43 43 ARG CA C 43 52.179 52.179 56.453 -4.274 18732 4385 1 14 . 1 1 43 43 ARG CB C 43 30.149 30.149 30.278 -0.129 18732 4386 1 14 . 1 1 44 44 LYS N N 44 121.297 121.297 119.752 1.545 18732 4387 1 14 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.106 -0.083 18732 4388 1 14 . 1 1 44 44 LYS CA C 44 56.636 56.636 59.409 -2.773 18732 4389 1 14 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.045 -1.933 18732 4390 1 14 . 1 1 45 45 ASP N N 45 115.145 115.145 114.179 0.966 18732 4391 1 14 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.815 -0.065 18732 4392 1 14 . 1 1 45 45 ASP CA C 45 51.100 51.100 54.185 -3.085 18732 4393 1 14 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.969 -3.276 18732 4394 1 14 . 1 1 46 46 GLU N N 46 118.274 118.274 117.469 0.805 18732 4395 1 14 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.572 -0.105 18732 4396 1 14 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.454 -1.732 18732 4397 1 14 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.682 -3.612 18732 4398 1 14 . 1 1 47 47 ALA N N 47 127.506 127.506 123.919 3.587 18732 4399 1 14 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.569 0.125 18732 4400 1 14 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.150 -2.042 18732 4401 1 14 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.366 -3.524 18732 4402 1 14 . 1 1 48 48 VAL N N 48 118.088 118.088 121.297 -3.209 18732 4403 1 14 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.701 0.644 18732 4404 1 14 . 1 1 48 48 VAL CA C 48 57.625 57.625 61.828 -4.204 18732 4405 1 14 . 1 1 48 48 VAL CB C 48 33.496 33.496 35.800 -2.304 18732 4406 1 14 . 1 1 49 49 LYS N N 49 124.725 124.725 123.839 0.886 18732 4407 1 14 . 1 1 49 49 LYS HA H 49 5.357 5.357 5.072 0.285 18732 4408 1 14 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.272 -3.232 18732 4409 1 14 . 1 1 50 50 GLN N N 50 121.028 121.028 120.392 0.636 18732 4410 1 14 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.601 0.385 18732 4411 1 14 . 1 1 50 50 GLN CA C 50 52.113 52.113 54.127 -2.014 18732 4412 1 14 . 1 1 50 50 GLN CB C 50 23.684 23.684 33.369 -9.685 18732 4413 1 14 . 1 1 51 51 TYR N N 51 124.549 124.549 117.733 6.816 18732 4414 1 14 . 1 1 51 51 TYR HA H 51 5.218 5.218 5.278 -0.060 18732 4415 1 14 . 1 1 51 51 TYR CA C 51 54.550 54.550 56.748 -2.198 18732 4416 1 14 . 1 1 51 51 TYR CB C 51 40.280 40.280 41.419 -1.139 18732 4417 1 14 . 1 1 52 52 HIS N N 52 121.301 121.301 122.265 -0.964 18732 4418 1 14 . 1 1 52 52 HIS HA H 52 5.219 5.219 4.717 0.502 18732 4419 1 14 . 1 1 52 52 HIS CA C 52 51.708 51.708 55.716 -4.008 18732 4420 1 14 . 1 1 52 52 HIS CB C 52 28.907 28.907 31.744 -2.837 18732 4421 1 14 . 1 1 53 53 LEU N N 53 127.743 127.743 125.891 1.852 18732 4422 1 14 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.624 0.584 18732 4423 1 14 . 1 1 53 53 LEU CA C 53 50.887 50.887 54.350 -3.463 18732 4424 1 14 . 1 1 53 53 LEU CB C 53 42.084 42.084 46.511 -4.427 18732 4425 1 14 . 1 1 54 54 THR N N 54 117.996 117.996 118.406 -0.410 18732 4426 1 14 . 1 1 54 54 THR HA H 54 4.600 4.600 4.376 0.224 18732 4427 1 14 . 1 1 54 54 THR CA C 54 59.774 59.774 61.605 -1.831 18732 4428 1 14 . 1 1 54 54 THR CB C 54 67.153 67.153 70.068 -2.915 18732 4429 1 14 . 1 1 55 55 LEU N N 55 129.329 129.329 125.051 4.278 18732 4430 1 14 . 1 1 55 55 LEU HA H 55 5.074 5.074 5.080 -0.006 18732 4431 1 14 . 1 1 55 55 LEU CA C 55 50.769 50.769 52.651 -1.882 18732 4432 1 14 . 1 1 55 55 LEU CB C 55 42.090 42.090 43.043 -0.953 18732 4433 1 14 . 1 1 56 56 ARG N N 56 117.231 117.231 119.403 -2.172 18732 4434 1 14 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.912 0.445 18732 4435 1 14 . 1 1 56 56 ARG CA C 56 51.875 51.875 55.466 -3.591 18732 4436 1 14 . 1 1 56 56 ARG CB C 56 31.945 31.945 33.140 -1.195 18732 4437 1 14 . 1 1 57 57 GLU N N 57 128.411 128.411 126.048 2.363 18732 4438 1 14 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.860 -0.169 18732 4439 1 14 . 1 1 57 57 GLU CA C 57 52.864 52.864 56.380 -3.516 18732 4440 1 14 . 1 1 57 57 GLU CB C 57 29.942 29.942 30.347 -0.405 18732 4441 1 14 . 1 1 58 58 GLY N N 58 118.265 118.265 108.063 10.202 18732 4442 1 14 . 1 1 58 58 GLY CA C 58 44.943 44.943 45.085 -0.142 18732 4443 1 14 . 1 1 59 59 SER N N 59 122.061 122.061 117.894 4.167 18732 4444 1 14 . 1 1 59 59 SER HA H 59 4.567 4.567 4.600 -0.033 18732 4445 1 14 . 1 1 59 59 SER CA C 59 55.730 55.730 58.680 -2.950 18732 4446 1 14 . 1 1 59 59 SER CB C 59 61.262 61.262 63.919 -2.657 18732 4447 1 14 . 1 1 60 60 LYS N N 60 124.154 124.154 122.850 1.304 18732 4448 1 14 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.346 0.274 18732 4449 1 14 . 1 1 60 60 LYS CA C 60 53.444 53.444 56.391 -2.947 18732 4450 1 14 . 1 1 60 60 LYS CB C 60 32.144 32.144 33.670 -1.526 18732 4451 1 14 . 1 1 61 61 GLU N N 61 125.701 125.701 124.568 1.133 18732 4452 1 14 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.147 0.367 18732 4453 1 14 . 1 1 61 61 GLU CA C 61 52.106 52.106 54.847 -2.741 18732 4454 1 14 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.549 -3.009 18732 4455 1 14 . 1 1 62 62 PHE N N 62 121.360 121.360 121.443 -0.083 18732 4456 1 14 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.878 0.168 18732 4457 1 14 . 1 1 62 62 PHE CA C 62 53.363 53.363 56.258 -2.895 18732 4458 1 14 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.492 -3.692 18732 4459 1 14 . 1 1 63 63 GLY N N 63 107.546 107.546 108.541 -0.995 18732 4460 1 14 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.586 -1.954 18732 4461 1 14 . 1 1 64 64 VAL N N 64 115.031 115.031 117.788 -2.757 18732 4462 1 14 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.943 0.077 18732 4463 1 14 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.129 -2.099 18732 4464 1 14 . 1 1 64 64 VAL CB C 64 34.152 34.152 34.774 -0.622 18732 4465 1 14 . 1 1 65 65 PHE N N 65 122.208 122.208 125.630 -3.422 18732 4466 1 14 . 1 1 65 65 PHE HA H 65 5.632 5.632 4.932 0.700 18732 4467 1 14 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.724 -2.724 18732 4468 1 14 . 1 1 65 65 PHE CB C 65 39.295 39.295 38.924 0.371 18732 4469 1 14 . 1 1 66 66 VAL N N 66 123.832 123.832 125.821 -1.989 18732 4470 1 14 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.094 1.063 18732 4471 1 14 . 1 1 66 66 VAL CA C 66 58.634 58.634 64.293 -5.659 18732 4472 1 14 . 1 1 66 66 VAL CB C 66 32.312 32.312 32.523 -0.211 18732 4473 1 14 . 1 1 67 67 THR N N 67 125.293 125.293 120.154 5.139 18732 4474 1 14 . 1 1 67 67 THR CA C 67 57.150 57.150 60.675 -3.525 18732 4475 1 14 . 1 1 67 67 THR CB C 67 67.050 67.050 70.267 -3.217 18732 4476 1 14 . 1 1 68 68 ILE N N 68 128.624 128.624 127.760 0.864 18732 4477 1 14 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.513 0.350 18732 4478 1 14 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.765 -2.532 18732 4479 1 14 . 1 1 68 68 ILE CB C 68 39.314 39.314 40.884 -1.570 18732 4480 1 14 . 1 1 69 69 SER N N 69 122.023 122.023 122.936 -0.913 18732 4481 1 14 . 1 1 69 69 SER HA H 69 5.804 5.804 4.876 0.928 18732 4482 1 14 . 1 1 69 69 SER CA C 69 53.530 53.530 58.549 -5.019 18732 4483 1 14 . 1 1 69 69 SER CB C 69 61.921 61.921 63.971 -2.050 18732 4484 1 14 . 1 1 70 70 PHE N N 70 123.800 123.800 123.101 0.699 18732 4485 1 14 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.259 0.118 18732 4486 1 14 . 1 1 70 70 PHE CA C 70 53.143 53.143 54.882 -1.739 18732 4487 1 14 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.611 -1.243 18732 4488 1 14 . 1 1 71 71 ASP N N 71 121.547 121.547 121.353 0.194 18732 4489 1 14 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.074 0.025 18732 4490 1 14 . 1 1 71 71 ASP CA C 71 48.222 48.222 52.297 -4.075 18732 4491 1 14 . 1 1 71 71 ASP CB C 71 40.845 40.845 43.481 -2.636 18732 4492 1 14 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.478 -0.113 18732 4493 1 14 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.024 -2.425 18732 4494 1 14 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.046 -2.380 18732 4495 1 14 . 1 1 73 73 TYR N N 73 118.085 118.085 120.223 -2.138 18732 4496 1 14 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.312 0.314 18732 4497 1 14 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.030 -2.700 18732 4498 1 14 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.394 -2.814 18732 4499 1 14 . 1 1 74 74 SER N N 74 113.942 113.942 111.254 2.688 18732 4500 1 14 . 1 1 74 74 SER HA H 74 4.506 4.506 4.589 -0.083 18732 4501 1 14 . 1 1 74 74 SER CA C 74 56.253 56.253 58.300 -2.047 18732 4502 1 14 . 1 1 74 74 SER CB C 74 62.670 62.670 63.519 -0.849 18732 4503 1 14 . 1 1 75 75 GLN N N 75 115.717 115.717 119.741 -4.024 18732 4504 1 14 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.585 -0.341 18732 4505 1 14 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.260 -1.688 18732 4506 1 14 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.959 -3.336 18732 4507 1 14 . 1 1 76 76 LYS N N 76 119.205 119.205 120.665 -1.460 18732 4508 1 14 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.543 -0.099 18732 4509 1 14 . 1 1 76 76 LYS CA C 76 54.013 54.013 55.828 -1.815 18732 4510 1 14 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.623 -2.248 18732 4511 1 14 . 1 1 77 77 VAL N N 77 125.587 125.587 126.814 -1.227 18732 4512 1 14 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.107 -0.103 18732 4513 1 14 . 1 1 77 77 VAL CA C 77 61.558 61.558 62.403 -0.845 18732 4514 1 14 . 1 1 77 77 VAL CB C 77 30.401 30.401 32.311 -1.910 18732 4515 1 14 . 1 1 78 78 ASN N N 78 126.604 126.604 128.854 -2.250 18732 4516 1 14 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.676 0.274 18732 4517 1 14 . 1 1 78 78 ASN CA C 78 51.577 51.577 55.227 -3.650 18732 4518 1 14 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.314 -1.953 18732 4519 1 14 . 1 1 79 79 LYS N N 79 118.463 118.463 117.810 0.653 18732 4520 1 14 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.751 -0.133 18732 4521 1 14 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.399 -1.827 18732 4522 1 14 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.974 -3.445 18732 4523 1 14 . 1 1 80 80 ILE N N 80 123.294 123.294 119.011 4.283 18732 4524 1 14 . 1 1 80 80 ILE HA H 80 5.071 5.071 4.898 0.173 18732 4525 1 14 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.892 -2.196 18732 4526 1 14 . 1 1 80 80 ILE CB C 80 38.260 38.260 41.043 -2.783 18732 4527 1 14 . 1 1 81 81 ALA N N 81 130.466 130.466 127.202 3.264 18732 4528 1 14 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.828 0.208 18732 4529 1 14 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.265 -3.043 18732 4530 1 14 . 1 1 81 81 ALA CB C 81 20.074 20.074 21.859 -1.785 18732 4531 1 14 . 1 1 82 82 ILE N N 82 122.249 122.249 117.521 4.728 18732 4532 1 14 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.903 0.339 18732 4533 1 14 . 1 1 82 82 ILE CA C 82 57.675 57.675 60.144 -2.469 18732 4534 1 14 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.915 -4.123 18732 4535 1 14 . 1 1 83 83 LEU N N 83 129.605 129.605 122.166 7.439 18732 4536 1 14 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.919 0.035 18732 4537 1 14 . 1 1 83 83 LEU CA C 83 51.332 51.332 54.115 -2.783 18732 4538 1 14 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.537 -3.062 18732 4539 1 14 . 1 1 84 84 GLU N N 84 125.594 125.594 124.040 1.554 18732 4540 1 14 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.769 -0.057 18732 4541 1 14 . 1 1 84 84 GLU CA C 84 54.390 54.390 54.757 -0.367 18732 4542 1 14 . 1 1 84 84 GLU CB C 84 28.122 28.122 32.498 -4.376 18732 4543 1 14 . 1 1 85 85 GLU N N 85 123.904 123.904 126.534 -2.630 18732 4544 1 14 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.189 0.240 18732 4545 1 14 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.572 -2.676 18732 4546 1 14 . 1 1 85 85 GLU CB C 85 28.642 28.642 30.805 -2.163 18732 4547 1 14 . 1 1 86 86 TYR N N 86 123.323 123.323 119.277 4.046 18732 4548 1 14 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.783 -0.062 18732 4549 1 14 . 1 1 86 86 TYR CA C 86 53.909 53.909 57.265 -3.356 18732 4550 1 14 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.527 -2.931 18732 4551 1 15 . 1 1 2 2 GLU N N 2 120.598 120.598 121.919 -1.321 18732 4552 1 15 . 1 1 2 2 GLU CA C 2 53.965 53.965 56.328 -2.363 18732 4553 1 15 . 1 1 2 2 GLU CB C 2 27.978 27.978 30.451 -2.473 18732 4554 1 15 . 1 1 3 3 GLU N N 3 120.984 120.984 121.486 -0.502 18732 4555 1 15 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.196 0.002 18732 4556 1 15 . 1 1 3 3 GLU CA C 3 60.035 60.035 56.733 3.302 18732 4557 1 15 . 1 1 3 3 GLU CB C 3 30.268 30.268 31.710 -1.442 18732 4558 1 15 . 1 1 4 4 THR N N 4 117.936 117.936 110.057 7.879 18732 4559 1 15 . 1 1 4 4 THR HA H 4 4.665 4.665 4.857 -0.192 18732 4560 1 15 . 1 1 4 4 THR CA C 4 57.307 57.307 58.513 -1.206 18732 4561 1 15 . 1 1 4 4 THR CB C 4 67.215 67.215 70.548 -3.333 18732 4562 1 15 . 1 1 5 5 PRO CA C 5 60.740 60.740 64.037 -3.297 18732 4563 1 15 . 1 1 5 5 PRO CB C 5 29.700 29.700 32.044 -2.344 18732 4564 1 15 . 1 1 6 6 LEU N N 6 122.097 122.097 115.928 6.169 18732 4565 1 15 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.735 -0.354 18732 4566 1 15 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.130 -1.115 18732 4567 1 15 . 1 1 6 6 LEU CB C 6 40.054 40.054 41.390 -1.336 18732 4568 1 15 . 1 1 8 8 THR N N 8 116.987 116.987 116.891 0.096 18732 4569 1 15 . 1 1 8 8 THR HA H 8 4.348 4.348 4.149 0.199 18732 4570 1 15 . 1 1 8 8 THR CA C 8 59.340 59.340 63.485 -4.145 18732 4571 1 15 . 1 1 8 8 THR CB C 8 67.234 67.234 67.929 -0.695 18732 4572 1 15 . 1 1 9 9 ALA N N 9 125.944 125.944 129.227 -3.283 18732 4573 1 15 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.495 -0.121 18732 4574 1 15 . 1 1 9 9 ALA CA C 9 50.009 50.009 51.853 -1.844 18732 4575 1 15 . 1 1 9 9 ALA CB C 9 16.807 16.807 21.073 -4.266 18732 4576 1 15 . 1 1 10 10 ARG N N 10 119.637 119.637 120.018 -0.381 18732 4577 1 15 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.438 -0.115 18732 4578 1 15 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.936 -2.404 18732 4579 1 15 . 1 1 10 10 ARG CB C 10 28.492 28.492 29.565 -1.073 18732 4580 1 15 . 1 1 11 11 HIS N N 11 119.667 119.667 115.232 4.435 18732 4581 1 15 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.764 -0.047 18732 4582 1 15 . 1 1 11 11 HIS CA C 11 52.790 52.790 54.516 -1.726 18732 4583 1 15 . 1 1 11 11 HIS CB C 11 27.033 27.033 31.284 -4.251 18732 4584 1 15 . 1 1 12 12 MET N N 12 122.280 122.280 118.510 3.770 18732 4585 1 15 . 1 1 12 12 MET HA H 12 4.543 4.543 4.653 -0.110 18732 4586 1 15 . 1 1 12 12 MET CA C 12 53.058 53.058 54.125 -1.067 18732 4587 1 15 . 1 1 12 12 MET CB C 12 29.647 29.647 36.020 -6.373 18732 4588 1 15 . 1 1 13 13 SER N N 13 118.363 118.363 116.040 2.323 18732 4589 1 15 . 1 1 13 13 SER HA H 13 4.515 4.515 4.285 0.230 18732 4590 1 15 . 1 1 13 13 SER CA C 13 55.083 55.083 58.277 -3.194 18732 4591 1 15 . 1 1 13 13 SER CB C 13 62.243 62.243 64.416 -2.173 18732 4592 1 15 . 1 1 14 14 LYS N N 14 123.039 123.039 121.746 1.293 18732 4593 1 15 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.849 0.077 18732 4594 1 15 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.012 -2.132 18732 4595 1 15 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.847 -2.352 18732 4596 1 15 . 1 1 15 15 TRP N N 15 118.585 118.585 116.622 1.963 18732 4597 1 15 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.892 -0.513 18732 4598 1 15 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.528 -0.959 18732 4599 1 15 . 1 1 15 15 TRP CB C 15 27.426 27.426 30.932 -3.506 18732 4600 1 15 . 1 1 16 16 GLU N N 16 119.418 119.418 121.108 -1.690 18732 4601 1 15 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.293 -0.317 18732 4602 1 15 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.661 -4.121 18732 4603 1 15 . 1 1 16 16 GLU CB C 16 27.787 27.787 29.283 -1.496 18732 4604 1 15 . 1 1 17 17 GLU N N 17 117.377 117.377 117.768 -0.391 18732 4605 1 15 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.024 -0.114 18732 4606 1 15 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.366 -2.468 18732 4607 1 15 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.487 -2.634 18732 4608 1 15 . 1 1 18 18 ILE N N 18 119.807 119.807 120.083 -0.276 18732 4609 1 15 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.773 -0.105 18732 4610 1 15 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.295 -2.550 18732 4611 1 15 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.810 -2.147 18732 4612 1 15 . 1 1 19 19 ALA N N 19 121.744 121.744 123.196 -1.452 18732 4613 1 15 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.046 -0.091 18732 4614 1 15 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.440 -1.997 18732 4615 1 15 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.395 -3.121 18732 4616 1 15 . 1 1 20 20 VAL N N 20 115.918 115.918 118.393 -2.475 18732 4617 1 15 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.533 -0.134 18732 4618 1 15 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.696 -2.367 18732 4619 1 15 . 1 1 20 20 VAL CB C 20 29.404 29.404 30.874 -1.470 18732 4620 1 15 . 1 1 21 21 LYS N N 21 119.785 119.785 120.160 -0.375 18732 4621 1 15 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.942 -0.021 18732 4622 1 15 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.236 -2.793 18732 4623 1 15 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.249 1.263 18732 4624 1 15 . 1 1 22 22 GLU N N 22 118.955 118.955 118.903 0.052 18732 4625 1 15 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.100 -0.031 18732 4626 1 15 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.291 -3.030 18732 4627 1 15 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.377 -3.281 18732 4628 1 15 . 1 1 23 23 ALA N N 23 122.253 122.253 120.191 2.062 18732 4629 1 15 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.206 -0.105 18732 4630 1 15 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.561 -1.335 18732 4631 1 15 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.663 -3.154 18732 4632 1 15 . 1 1 24 24 LYS N N 24 116.889 116.889 116.031 0.858 18732 4633 1 15 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.334 -0.315 18732 4634 1 15 . 1 1 24 24 LYS CA C 24 55.745 55.745 58.363 -2.618 18732 4635 1 15 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.126 -3.941 18732 4636 1 15 . 1 1 25 25 LYS N N 25 117.772 117.772 120.568 -2.796 18732 4637 1 15 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.270 -0.247 18732 4638 1 15 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.736 -2.396 18732 4639 1 15 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.202 -2.000 18732 4640 1 15 . 1 1 26 26 ARG N N 26 117.176 117.176 119.350 -2.174 18732 4641 1 15 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.208 -0.151 18732 4642 1 15 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.022 -3.031 18732 4643 1 15 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.975 -2.941 18732 4644 1 15 . 1 1 27 27 TYR N N 27 117.344 117.344 118.717 -1.373 18732 4645 1 15 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.870 0.212 18732 4646 1 15 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.593 -3.035 18732 4647 1 15 . 1 1 27 27 TYR CB C 27 35.987 35.987 39.337 -3.350 18732 4648 1 15 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.410 0.339 18732 4649 1 15 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.362 -1.969 18732 4650 1 15 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.204 -2.349 18732 4651 1 15 . 1 1 29 29 LEU N N 29 117.758 117.758 119.457 -1.699 18732 4652 1 15 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.228 0.361 18732 4653 1 15 . 1 1 29 29 LEU CA C 29 51.574 51.574 56.039 -4.465 18732 4654 1 15 . 1 1 29 29 LEU CB C 29 38.890 38.890 42.020 -3.130 18732 4655 1 15 . 1 1 30 30 ALA N N 30 122.493 122.493 116.635 5.858 18732 4656 1 15 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.868 -0.017 18732 4657 1 15 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.669 -1.814 18732 4658 1 15 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.165 -2.497 18732 4659 1 15 . 1 1 31 31 GLN N N 31 118.936 118.936 118.207 0.729 18732 4660 1 15 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.748 -0.109 18732 4661 1 15 . 1 1 31 31 GLN CA C 31 51.271 51.271 53.538 -2.267 18732 4662 1 15 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.248 -3.405 18732 4663 1 15 . 1 1 32 32 VAL N N 32 123.815 123.815 122.504 1.311 18732 4664 1 15 . 1 1 32 32 VAL HA H 32 4.665 4.665 3.894 0.771 18732 4665 1 15 . 1 1 32 32 VAL CA C 32 60.265 60.265 63.146 -2.881 18732 4666 1 15 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.269 -3.391 18732 4667 1 15 . 1 1 33 33 LEU N N 33 128.709 128.709 123.137 5.572 18732 4668 1 15 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.696 -0.454 18732 4669 1 15 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.703 -1.320 18732 4670 1 15 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.927 -1.804 18732 4671 1 15 . 1 1 34 34 PHE N N 34 114.779 114.779 119.091 -4.312 18732 4672 1 15 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.756 -0.850 18732 4673 1 15 . 1 1 34 34 PHE CA C 34 53.915 53.915 56.943 -3.028 18732 4674 1 15 . 1 1 34 34 PHE CB C 34 40.653 40.653 42.538 -1.885 18732 4675 1 15 . 1 1 35 35 LYS N N 35 120.077 120.077 121.862 -1.785 18732 4676 1 15 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.545 0.693 18732 4677 1 15 . 1 1 35 35 LYS CA C 35 52.297 52.297 56.420 -4.123 18732 4678 1 15 . 1 1 35 35 LYS CB C 35 32.998 32.998 34.017 -1.019 18732 4679 1 15 . 1 1 36 36 GLN N N 36 119.491 119.491 122.455 -2.964 18732 4680 1 15 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.695 0.541 18732 4681 1 15 . 1 1 36 36 GLN CA C 36 52.197 52.197 55.275 -3.078 18732 4682 1 15 . 1 1 36 36 GLN CB C 36 30.609 30.609 31.919 -1.310 18732 4683 1 15 . 1 1 37 37 LYS N N 37 128.471 128.471 122.941 5.530 18732 4684 1 15 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.468 0.327 18732 4685 1 15 . 1 1 37 37 LYS CA C 37 54.661 54.661 57.290 -2.629 18732 4686 1 15 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.645 -2.372 18732 4687 1 15 . 1 1 38 38 VAL N N 38 125.112 125.112 115.587 9.525 18732 4688 1 15 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.560 -0.223 18732 4689 1 15 . 1 1 38 38 VAL CA C 38 60.252 60.252 60.219 0.033 18732 4690 1 15 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.815 -3.095 18732 4691 1 15 . 1 1 39 39 TRP N N 39 123.085 123.085 123.899 -0.814 18732 4692 1 15 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.474 0.375 18732 4693 1 15 . 1 1 39 39 TRP CA C 39 54.206 54.206 58.231 -4.025 18732 4694 1 15 . 1 1 39 39 TRP CB C 39 30.461 30.461 30.131 0.330 18732 4695 1 15 . 1 1 40 40 ASP N N 40 123.000 123.000 122.244 0.756 18732 4696 1 15 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.573 0.555 18732 4697 1 15 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.126 -2.021 18732 4698 1 15 . 1 1 40 40 ASP CB C 40 41.077 41.077 43.218 -2.141 18732 4699 1 15 . 1 1 41 41 ARG N N 41 123.259 123.259 122.425 0.834 18732 4700 1 15 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.082 0.466 18732 4701 1 15 . 1 1 41 41 ARG CA C 41 52.623 52.623 55.145 -2.522 18732 4702 1 15 . 1 1 41 41 ARG CB C 41 31.417 31.417 31.667 -0.250 18732 4703 1 15 . 1 1 42 42 LYS N N 42 124.798 124.798 125.343 -0.545 18732 4704 1 15 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.083 0.605 18732 4705 1 15 . 1 1 42 42 LYS CA C 42 53.773 53.773 55.966 -2.193 18732 4706 1 15 . 1 1 42 42 LYS CB C 42 31.787 31.787 33.652 -1.865 18732 4707 1 15 . 1 1 43 43 ARG N N 43 124.461 124.461 123.895 0.566 18732 4708 1 15 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.463 0.186 18732 4709 1 15 . 1 1 43 43 ARG CA C 43 52.179 52.179 54.776 -2.597 18732 4710 1 15 . 1 1 43 43 ARG CB C 43 30.149 30.149 29.956 0.194 18732 4711 1 15 . 1 1 44 44 LYS N N 44 121.297 121.297 120.772 0.525 18732 4712 1 15 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.175 -0.152 18732 4713 1 15 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.486 -1.850 18732 4714 1 15 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.543 -2.431 18732 4715 1 15 . 1 1 45 45 ASP N N 45 115.145 115.145 119.648 -4.503 18732 4716 1 15 . 1 1 45 45 ASP HA H 45 4.750 4.750 5.000 -0.250 18732 4717 1 15 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.735 -2.635 18732 4718 1 15 . 1 1 45 45 ASP CB C 45 38.693 38.693 40.722 -2.029 18732 4719 1 15 . 1 1 46 46 GLU N N 46 118.274 118.274 118.130 0.144 18732 4720 1 15 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.548 -0.081 18732 4721 1 15 . 1 1 46 46 GLU CA C 46 53.722 53.722 56.304 -2.582 18732 4722 1 15 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.559 -3.490 18732 4723 1 15 . 1 1 47 47 ALA N N 47 127.506 127.506 123.273 4.233 18732 4724 1 15 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.492 0.202 18732 4725 1 15 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.643 -2.535 18732 4726 1 15 . 1 1 47 47 ALA CB C 47 18.842 18.842 21.838 -2.996 18732 4727 1 15 . 1 1 48 48 VAL N N 48 118.088 118.088 121.168 -3.080 18732 4728 1 15 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.314 1.031 18732 4729 1 15 . 1 1 48 48 VAL CA C 48 57.625 57.625 61.640 -4.015 18732 4730 1 15 . 1 1 48 48 VAL CB C 48 33.496 33.496 34.318 -0.822 18732 4731 1 15 . 1 1 49 49 LYS N N 49 124.725 124.725 126.434 -1.709 18732 4732 1 15 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.699 0.658 18732 4733 1 15 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.693 -3.654 18732 4734 1 15 . 1 1 50 50 GLN N N 50 121.028 121.028 121.848 -0.820 18732 4735 1 15 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.498 0.488 18732 4736 1 15 . 1 1 50 50 GLN CA C 50 52.113 52.113 54.138 -2.025 18732 4737 1 15 . 1 1 50 50 GLN CB C 50 23.684 23.684 33.708 -10.024 18732 4738 1 15 . 1 1 51 51 TYR N N 51 124.549 124.549 116.320 8.229 18732 4739 1 15 . 1 1 51 51 TYR HA H 51 5.218 5.218 5.045 0.173 18732 4740 1 15 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.028 -2.478 18732 4741 1 15 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.686 -2.406 18732 4742 1 15 . 1 1 52 52 HIS N N 52 121.301 121.301 121.066 0.235 18732 4743 1 15 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.459 -0.240 18732 4744 1 15 . 1 1 52 52 HIS CA C 52 51.708 51.708 53.371 -1.663 18732 4745 1 15 . 1 1 52 52 HIS CB C 52 28.907 28.907 33.181 -4.274 18732 4746 1 15 . 1 1 53 53 LEU N N 53 127.743 127.743 127.692 0.051 18732 4747 1 15 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.680 0.528 18732 4748 1 15 . 1 1 53 53 LEU CA C 53 50.887 50.887 52.914 -2.027 18732 4749 1 15 . 1 1 53 53 LEU CB C 53 42.084 42.084 44.866 -2.782 18732 4750 1 15 . 1 1 54 54 THR N N 54 117.996 117.996 121.291 -3.295 18732 4751 1 15 . 1 1 54 54 THR HA H 54 4.600 4.600 4.156 0.444 18732 4752 1 15 . 1 1 54 54 THR CA C 54 59.774 59.774 62.906 -3.132 18732 4753 1 15 . 1 1 54 54 THR CB C 54 67.153 67.153 68.939 -1.786 18732 4754 1 15 . 1 1 55 55 LEU N N 55 129.329 129.329 126.860 2.469 18732 4755 1 15 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.692 0.382 18732 4756 1 15 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.677 -2.908 18732 4757 1 15 . 1 1 55 55 LEU CB C 55 42.090 42.090 41.830 0.260 18732 4758 1 15 . 1 1 56 56 ARG N N 56 117.231 117.231 119.876 -2.645 18732 4759 1 15 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.918 0.439 18732 4760 1 15 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.964 -3.089 18732 4761 1 15 . 1 1 56 56 ARG CB C 56 31.945 31.945 33.815 -1.870 18732 4762 1 15 . 1 1 57 57 GLU N N 57 128.411 128.411 128.569 -0.158 18732 4763 1 15 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.821 -0.130 18732 4764 1 15 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.081 -2.217 18732 4765 1 15 . 1 1 57 57 GLU CB C 57 29.942 29.942 31.955 -2.013 18732 4766 1 15 . 1 1 58 58 GLY N N 58 118.265 118.265 116.761 1.504 18732 4767 1 15 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.299 -2.356 18732 4768 1 15 . 1 1 59 59 SER N N 59 122.061 122.061 119.721 2.340 18732 4769 1 15 . 1 1 59 59 SER HA H 59 4.567 4.567 4.675 -0.108 18732 4770 1 15 . 1 1 59 59 SER CA C 59 55.730 55.730 57.697 -1.967 18732 4771 1 15 . 1 1 59 59 SER CB C 59 61.262 61.262 63.478 -2.216 18732 4772 1 15 . 1 1 60 60 LYS N N 60 124.154 124.154 122.216 1.938 18732 4773 1 15 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.704 -0.084 18732 4774 1 15 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.952 -2.507 18732 4775 1 15 . 1 1 60 60 LYS CB C 60 32.144 32.144 35.848 -3.704 18732 4776 1 15 . 1 1 61 61 GLU N N 61 125.701 125.701 122.268 3.433 18732 4777 1 15 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.401 0.113 18732 4778 1 15 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.240 -3.134 18732 4779 1 15 . 1 1 61 61 GLU CB C 61 29.540 29.540 33.090 -3.550 18732 4780 1 15 . 1 1 62 62 PHE N N 62 121.360 121.360 117.266 4.094 18732 4781 1 15 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.863 0.183 18732 4782 1 15 . 1 1 62 62 PHE CA C 62 53.363 53.363 56.401 -3.038 18732 4783 1 15 . 1 1 62 62 PHE CB C 62 37.799 37.799 39.721 -1.922 18732 4784 1 15 . 1 1 63 63 GLY N N 63 107.546 107.546 106.153 1.393 18732 4785 1 15 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.582 -1.950 18732 4786 1 15 . 1 1 64 64 VAL N N 64 115.031 115.031 116.284 -1.253 18732 4787 1 15 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.724 0.296 18732 4788 1 15 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.786 -2.756 18732 4789 1 15 . 1 1 64 64 VAL CB C 64 34.152 34.152 34.762 -0.610 18732 4790 1 15 . 1 1 65 65 PHE N N 65 122.208 122.208 125.298 -3.090 18732 4791 1 15 . 1 1 65 65 PHE HA H 65 5.632 5.632 4.905 0.727 18732 4792 1 15 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.864 -2.864 18732 4793 1 15 . 1 1 65 65 PHE CB C 65 39.295 39.295 38.989 0.306 18732 4794 1 15 . 1 1 66 66 VAL N N 66 123.832 123.832 124.973 -1.141 18732 4795 1 15 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.082 1.075 18732 4796 1 15 . 1 1 66 66 VAL CA C 66 58.634 58.634 63.032 -4.398 18732 4797 1 15 . 1 1 66 66 VAL CB C 66 32.312 32.312 32.053 0.259 18732 4798 1 15 . 1 1 67 67 THR N N 67 125.293 125.293 122.325 2.968 18732 4799 1 15 . 1 1 67 67 THR CA C 67 57.150 57.150 61.431 -4.280 18732 4800 1 15 . 1 1 67 67 THR CB C 67 67.050 67.050 70.194 -3.144 18732 4801 1 15 . 1 1 68 68 ILE N N 68 128.624 128.624 127.535 1.089 18732 4802 1 15 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.492 0.371 18732 4803 1 15 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.343 -2.111 18732 4804 1 15 . 1 1 68 68 ILE CB C 68 39.314 39.314 41.039 -1.725 18732 4805 1 15 . 1 1 69 69 SER N N 69 122.023 122.023 122.198 -0.175 18732 4806 1 15 . 1 1 69 69 SER HA H 69 5.804 5.804 5.061 0.743 18732 4807 1 15 . 1 1 69 69 SER CA C 69 53.530 53.530 56.969 -3.439 18732 4808 1 15 . 1 1 69 69 SER CB C 69 61.921 61.921 64.299 -2.378 18732 4809 1 15 . 1 1 70 70 PHE N N 70 123.800 123.800 121.722 2.078 18732 4810 1 15 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.495 -0.118 18732 4811 1 15 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.155 -2.012 18732 4812 1 15 . 1 1 70 70 PHE CB C 70 40.368 40.368 42.084 -1.716 18732 4813 1 15 . 1 1 71 71 ASP N N 71 121.547 121.547 118.932 2.615 18732 4814 1 15 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.100 -0.001 18732 4815 1 15 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.383 -2.161 18732 4816 1 15 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.304 -3.459 18732 4817 1 15 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.455 -0.090 18732 4818 1 15 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.636 -3.037 18732 4819 1 15 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.199 -2.533 18732 4820 1 15 . 1 1 73 73 TYR N N 73 118.085 118.085 119.176 -1.091 18732 4821 1 15 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.322 0.304 18732 4822 1 15 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.272 -2.942 18732 4823 1 15 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.435 -2.855 18732 4824 1 15 . 1 1 74 74 SER N N 74 113.942 113.942 110.676 3.266 18732 4825 1 15 . 1 1 74 74 SER HA H 74 4.506 4.506 4.638 -0.132 18732 4826 1 15 . 1 1 74 74 SER CA C 74 56.253 56.253 58.212 -1.959 18732 4827 1 15 . 1 1 74 74 SER CB C 74 62.670 62.670 63.779 -1.109 18732 4828 1 15 . 1 1 75 75 GLN N N 75 115.717 115.717 117.880 -2.163 18732 4829 1 15 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.565 -0.321 18732 4830 1 15 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.061 -1.489 18732 4831 1 15 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.633 -3.010 18732 4832 1 15 . 1 1 76 76 LYS N N 76 119.205 119.205 119.971 -0.766 18732 4833 1 15 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.386 0.058 18732 4834 1 15 . 1 1 76 76 LYS CA C 76 54.013 54.013 55.862 -1.849 18732 4835 1 15 . 1 1 76 76 LYS CB C 76 31.375 31.375 32.419 -1.044 18732 4836 1 15 . 1 1 77 77 VAL N N 77 125.587 125.587 127.705 -2.118 18732 4837 1 15 . 1 1 77 77 VAL HA H 77 4.004 4.004 3.832 0.172 18732 4838 1 15 . 1 1 77 77 VAL CA C 77 61.558 61.558 63.972 -2.414 18732 4839 1 15 . 1 1 77 77 VAL CB C 77 30.401 30.401 31.700 -1.298 18732 4840 1 15 . 1 1 78 78 ASN N N 78 126.604 126.604 128.320 -1.716 18732 4841 1 15 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.794 0.156 18732 4842 1 15 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.581 -3.004 18732 4843 1 15 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.498 -2.137 18732 4844 1 15 . 1 1 79 79 LYS N N 79 118.463 118.463 118.568 -0.105 18732 4845 1 15 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.728 -0.110 18732 4846 1 15 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.497 -1.925 18732 4847 1 15 . 1 1 79 79 LYS CB C 79 33.529 33.529 37.199 -3.670 18732 4848 1 15 . 1 1 80 80 ILE N N 80 123.294 123.294 119.995 3.299 18732 4849 1 15 . 1 1 80 80 ILE HA H 80 5.071 5.071 4.734 0.337 18732 4850 1 15 . 1 1 80 80 ILE CA C 80 57.696 57.696 60.066 -2.370 18732 4851 1 15 . 1 1 80 80 ILE CB C 80 38.260 38.260 40.339 -2.079 18732 4852 1 15 . 1 1 81 81 ALA N N 81 130.466 130.466 128.883 1.583 18732 4853 1 15 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.798 0.238 18732 4854 1 15 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.041 -2.819 18732 4855 1 15 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.363 -2.289 18732 4856 1 15 . 1 1 82 82 ILE N N 82 122.249 122.249 118.273 3.976 18732 4857 1 15 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.532 0.710 18732 4858 1 15 . 1 1 82 82 ILE CA C 82 57.675 57.675 60.328 -2.654 18732 4859 1 15 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.536 -3.744 18732 4860 1 15 . 1 1 83 83 LEU N N 83 129.605 129.605 124.498 5.107 18732 4861 1 15 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.835 0.119 18732 4862 1 15 . 1 1 83 83 LEU CA C 83 51.332 51.332 54.021 -2.689 18732 4863 1 15 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.614 -3.139 18732 4864 1 15 . 1 1 84 84 GLU N N 84 125.594 125.594 121.587 4.007 18732 4865 1 15 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.853 -0.141 18732 4866 1 15 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.183 -0.793 18732 4867 1 15 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.327 -5.205 18732 4868 1 15 . 1 1 85 85 GLU N N 85 123.904 123.904 124.996 -1.092 18732 4869 1 15 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.725 -0.296 18732 4870 1 15 . 1 1 85 85 GLU CA C 85 53.896 53.896 55.323 -1.427 18732 4871 1 15 . 1 1 85 85 GLU CB C 85 28.642 28.642 32.307 -3.665 18732 4872 1 15 . 1 1 86 86 TYR N N 86 123.323 123.323 122.260 1.063 18732 4873 1 15 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.834 -0.113 18732 4874 1 15 . 1 1 86 86 TYR CA C 86 53.909 53.909 56.745 -2.836 18732 4875 1 15 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.184 -2.587 18732 4876 1 16 . 1 1 2 2 GLU N N 2 120.598 120.598 121.308 -0.710 18732 4877 1 16 . 1 1 2 2 GLU CA C 2 53.965 53.965 56.448 -2.483 18732 4878 1 16 . 1 1 2 2 GLU CB C 2 27.978 27.978 31.617 -3.639 18732 4879 1 16 . 1 1 3 3 GLU N N 3 120.984 120.984 119.801 1.183 18732 4880 1 16 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.181 0.017 18732 4881 1 16 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.701 2.334 18732 4882 1 16 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.251 0.017 18732 4883 1 16 . 1 1 4 4 THR N N 4 117.936 117.936 108.457 9.479 18732 4884 1 16 . 1 1 4 4 THR HA H 4 4.665 4.665 4.534 0.131 18732 4885 1 16 . 1 1 4 4 THR CA C 4 57.307 57.307 59.421 -2.114 18732 4886 1 16 . 1 1 4 4 THR CB C 4 67.215 67.215 70.800 -3.585 18732 4887 1 16 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.030 -2.290 18732 4888 1 16 . 1 1 5 5 PRO CB C 5 29.700 29.700 31.900 -2.200 18732 4889 1 16 . 1 1 6 6 LEU N N 6 122.097 122.097 122.856 -0.759 18732 4890 1 16 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.278 0.103 18732 4891 1 16 . 1 1 6 6 LEU CA C 6 53.015 53.015 55.130 -2.115 18732 4892 1 16 . 1 1 6 6 LEU CB C 6 40.054 40.054 41.055 -1.001 18732 4893 1 16 . 1 1 8 8 THR N N 8 116.987 116.987 114.780 2.207 18732 4894 1 16 . 1 1 8 8 THR HA H 8 4.348 4.348 4.301 0.047 18732 4895 1 16 . 1 1 8 8 THR CA C 8 59.340 59.340 62.532 -3.192 18732 4896 1 16 . 1 1 8 8 THR CB C 8 67.234 67.234 69.446 -2.212 18732 4897 1 16 . 1 1 9 9 ALA N N 9 125.944 125.944 127.223 -1.279 18732 4898 1 16 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.558 -0.184 18732 4899 1 16 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.160 -2.151 18732 4900 1 16 . 1 1 9 9 ALA CB C 9 16.807 16.807 19.781 -2.974 18732 4901 1 16 . 1 1 10 10 ARG N N 10 119.637 119.637 120.956 -1.319 18732 4902 1 16 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.771 -0.448 18732 4903 1 16 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.144 -1.612 18732 4904 1 16 . 1 1 10 10 ARG CB C 10 28.492 28.492 31.479 -2.987 18732 4905 1 16 . 1 1 11 11 HIS N N 11 119.667 119.667 118.351 1.316 18732 4906 1 16 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.461 0.256 18732 4907 1 16 . 1 1 11 11 HIS CA C 11 52.790 52.790 55.902 -3.112 18732 4908 1 16 . 1 1 11 11 HIS CB C 11 27.033 27.033 30.134 -3.101 18732 4909 1 16 . 1 1 12 12 MET N N 12 122.280 122.280 119.867 2.413 18732 4910 1 16 . 1 1 12 12 MET HA H 12 4.543 4.543 4.532 0.011 18732 4911 1 16 . 1 1 12 12 MET CA C 12 53.058 53.058 54.133 -1.075 18732 4912 1 16 . 1 1 12 12 MET CB C 12 29.647 29.647 35.215 -5.568 18732 4913 1 16 . 1 1 13 13 SER N N 13 118.363 118.363 114.911 3.452 18732 4914 1 16 . 1 1 13 13 SER HA H 13 4.515 4.515 4.342 0.173 18732 4915 1 16 . 1 1 13 13 SER CA C 13 55.083 55.083 58.776 -3.693 18732 4916 1 16 . 1 1 13 13 SER CB C 13 62.243 62.243 63.865 -1.622 18732 4917 1 16 . 1 1 14 14 LYS N N 14 123.039 123.039 120.904 2.135 18732 4918 1 16 . 1 1 14 14 LYS HA H 14 3.926 3.926 4.107 -0.181 18732 4919 1 16 . 1 1 14 14 LYS CA C 14 55.880 55.880 57.343 -1.463 18732 4920 1 16 . 1 1 14 14 LYS CB C 14 29.495 29.495 32.599 -3.104 18732 4921 1 16 . 1 1 15 15 TRP N N 15 118.585 118.585 118.831 -0.246 18732 4922 1 16 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.894 -0.515 18732 4923 1 16 . 1 1 15 15 TRP CA C 15 55.569 55.569 57.033 -1.464 18732 4924 1 16 . 1 1 15 15 TRP CB C 15 27.426 27.426 30.421 -2.994 18732 4925 1 16 . 1 1 16 16 GLU N N 16 119.418 119.418 121.707 -2.289 18732 4926 1 16 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.974 -0.998 18732 4927 1 16 . 1 1 16 16 GLU CA C 16 56.540 56.540 59.386 -2.846 18732 4928 1 16 . 1 1 16 16 GLU CB C 16 27.787 27.787 28.059 -0.272 18732 4929 1 16 . 1 1 17 17 GLU N N 17 117.377 117.377 120.034 -2.657 18732 4930 1 16 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.040 -0.130 18732 4931 1 16 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.671 -2.773 18732 4932 1 16 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.026 -2.173 18732 4933 1 16 . 1 1 18 18 ILE N N 18 119.807 119.807 119.591 0.216 18732 4934 1 16 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.764 -0.096 18732 4935 1 16 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.107 -2.362 18732 4936 1 16 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.755 -2.092 18732 4937 1 16 . 1 1 19 19 ALA N N 19 121.744 121.744 123.357 -1.613 18732 4938 1 16 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.042 -0.087 18732 4939 1 16 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.445 -2.002 18732 4940 1 16 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.356 -3.082 18732 4941 1 16 . 1 1 20 20 VAL N N 20 115.918 115.918 118.158 -2.240 18732 4942 1 16 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.492 -0.093 18732 4943 1 16 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.497 -2.168 18732 4944 1 16 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.768 -2.364 18732 4945 1 16 . 1 1 21 21 LYS N N 21 119.785 119.785 118.427 1.358 18732 4946 1 16 . 1 1 21 21 LYS HA H 21 3.921 3.921 4.056 -0.135 18732 4947 1 16 . 1 1 21 21 LYS CA C 21 57.442 57.442 59.380 -1.938 18732 4948 1 16 . 1 1 21 21 LYS CB C 21 33.512 33.512 31.929 1.583 18732 4949 1 16 . 1 1 22 22 GLU N N 22 118.955 118.955 120.321 -1.366 18732 4950 1 16 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.037 0.032 18732 4951 1 16 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.501 -3.240 18732 4952 1 16 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.485 -3.389 18732 4953 1 16 . 1 1 23 23 ALA N N 23 122.253 122.253 118.805 3.448 18732 4954 1 16 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.287 -0.186 18732 4955 1 16 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.534 -1.308 18732 4956 1 16 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.733 -3.224 18732 4957 1 16 . 1 1 24 24 LYS N N 24 116.889 116.889 115.916 0.973 18732 4958 1 16 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.355 -0.336 18732 4959 1 16 . 1 1 24 24 LYS CA C 24 55.745 55.745 58.202 -2.457 18732 4960 1 16 . 1 1 24 24 LYS CB C 24 29.185 29.185 32.978 -3.793 18732 4961 1 16 . 1 1 25 25 LYS N N 25 117.772 117.772 122.231 -4.459 18732 4962 1 16 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.044 -0.021 18732 4963 1 16 . 1 1 25 25 LYS CA C 25 56.340 56.340 59.384 -3.044 18732 4964 1 16 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.391 -2.189 18732 4965 1 16 . 1 1 26 26 ARG N N 26 117.176 117.176 117.963 -0.787 18732 4966 1 16 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.095 -0.038 18732 4967 1 16 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.187 -3.196 18732 4968 1 16 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.783 -2.749 18732 4969 1 16 . 1 1 27 27 TYR N N 27 117.344 117.344 118.675 -1.331 18732 4970 1 16 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.944 0.138 18732 4971 1 16 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.403 -2.845 18732 4972 1 16 . 1 1 27 27 TYR CB C 27 35.987 35.987 39.339 -3.352 18732 4973 1 16 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.516 0.233 18732 4974 1 16 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.543 -2.150 18732 4975 1 16 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.152 -2.297 18732 4976 1 16 . 1 1 29 29 LEU N N 29 117.758 117.758 118.037 -0.279 18732 4977 1 16 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.455 0.134 18732 4978 1 16 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.453 -2.879 18732 4979 1 16 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.855 -2.965 18732 4980 1 16 . 1 1 30 30 ALA N N 30 122.493 122.493 118.217 4.276 18732 4981 1 16 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.936 -0.085 18732 4982 1 16 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.631 -1.776 18732 4983 1 16 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.060 -2.392 18732 4984 1 16 . 1 1 31 31 GLN N N 31 118.936 118.936 116.798 2.138 18732 4985 1 16 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.830 -0.191 18732 4986 1 16 . 1 1 31 31 GLN CA C 31 51.271 51.271 53.215 -1.944 18732 4987 1 16 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.205 -3.362 18732 4988 1 16 . 1 1 32 32 VAL N N 32 123.815 123.815 120.967 2.848 18732 4989 1 16 . 1 1 32 32 VAL HA H 32 4.665 4.665 3.930 0.735 18732 4990 1 16 . 1 1 32 32 VAL CA C 32 60.265 60.265 63.000 -2.735 18732 4991 1 16 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.017 -3.139 18732 4992 1 16 . 1 1 33 33 LEU N N 33 128.709 128.709 121.430 7.279 18732 4993 1 16 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.718 -0.476 18732 4994 1 16 . 1 1 33 33 LEU CA C 33 53.383 53.383 55.205 -1.821 18732 4995 1 16 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.724 -1.601 18732 4996 1 16 . 1 1 34 34 PHE N N 34 114.779 114.779 119.442 -4.663 18732 4997 1 16 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.698 -0.792 18732 4998 1 16 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.656 -3.741 18732 4999 1 16 . 1 1 34 34 PHE CB C 34 40.653 40.653 42.717 -2.064 18732 5000 1 16 . 1 1 35 35 LYS N N 35 120.077 120.077 124.999 -4.922 18732 5001 1 16 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.600 0.638 18732 5002 1 16 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.420 -3.123 18732 5003 1 16 . 1 1 35 35 LYS CB C 35 32.998 32.998 33.007 -0.009 18732 5004 1 16 . 1 1 36 36 GLN N N 36 119.491 119.491 120.680 -1.189 18732 5005 1 16 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.764 0.472 18732 5006 1 16 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.044 -1.847 18732 5007 1 16 . 1 1 36 36 GLN CB C 36 30.609 30.609 31.756 -1.147 18732 5008 1 16 . 1 1 37 37 LYS N N 37 128.471 128.471 121.376 7.095 18732 5009 1 16 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.767 0.028 18732 5010 1 16 . 1 1 37 37 LYS CA C 37 54.661 54.661 55.780 -1.119 18732 5011 1 16 . 1 1 37 37 LYS CB C 37 31.273 31.273 34.189 -2.916 18732 5012 1 16 . 1 1 38 38 VAL N N 38 125.112 125.112 118.593 6.519 18732 5013 1 16 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.400 -0.063 18732 5014 1 16 . 1 1 38 38 VAL CA C 38 60.252 60.252 62.984 -2.732 18732 5015 1 16 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.036 -2.316 18732 5016 1 16 . 1 1 39 39 TRP N N 39 123.085 123.085 122.025 1.060 18732 5017 1 16 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.742 0.107 18732 5018 1 16 . 1 1 39 39 TRP CA C 39 54.206 54.206 57.612 -3.406 18732 5019 1 16 . 1 1 39 39 TRP CB C 39 30.461 30.461 32.387 -1.926 18732 5020 1 16 . 1 1 40 40 ASP N N 40 123.000 123.000 120.512 2.488 18732 5021 1 16 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.582 0.546 18732 5022 1 16 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.515 -2.410 18732 5023 1 16 . 1 1 40 40 ASP CB C 40 41.077 41.077 42.105 -1.028 18732 5024 1 16 . 1 1 41 41 ARG N N 41 123.259 123.259 118.618 4.641 18732 5025 1 16 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.117 0.431 18732 5026 1 16 . 1 1 41 41 ARG CA C 41 52.623 52.623 55.477 -2.854 18732 5027 1 16 . 1 1 41 41 ARG CB C 41 31.417 31.417 30.550 0.867 18732 5028 1 16 . 1 1 42 42 LYS N N 42 124.798 124.798 119.026 5.772 18732 5029 1 16 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.246 0.442 18732 5030 1 16 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.342 -0.569 18732 5031 1 16 . 1 1 42 42 LYS CB C 42 31.787 31.787 35.412 -3.625 18732 5032 1 16 . 1 1 43 43 ARG N N 43 124.461 124.461 121.491 2.970 18732 5033 1 16 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.545 0.104 18732 5034 1 16 . 1 1 43 43 ARG CA C 43 52.179 52.179 56.059 -3.880 18732 5035 1 16 . 1 1 43 43 ARG CB C 43 30.149 30.149 31.211 -1.062 18732 5036 1 16 . 1 1 44 44 LYS N N 44 121.297 121.297 120.036 1.261 18732 5037 1 16 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.062 -0.039 18732 5038 1 16 . 1 1 44 44 LYS CA C 44 56.636 56.636 59.338 -2.702 18732 5039 1 16 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.301 -2.189 18732 5040 1 16 . 1 1 45 45 ASP N N 45 115.145 115.145 116.419 -1.274 18732 5041 1 16 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.576 0.174 18732 5042 1 16 . 1 1 45 45 ASP CA C 45 51.100 51.100 54.626 -3.526 18732 5043 1 16 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.669 -2.976 18732 5044 1 16 . 1 1 46 46 GLU N N 46 118.274 118.274 117.095 1.179 18732 5045 1 16 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.640 -0.173 18732 5046 1 16 . 1 1 46 46 GLU CA C 46 53.722 53.722 54.801 -1.079 18732 5047 1 16 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.556 -3.486 18732 5048 1 16 . 1 1 47 47 ALA N N 47 127.506 127.506 121.776 5.730 18732 5049 1 16 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.470 0.224 18732 5050 1 16 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.657 -2.549 18732 5051 1 16 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.143 -3.301 18732 5052 1 16 . 1 1 48 48 VAL N N 48 118.088 118.088 116.962 1.126 18732 5053 1 16 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.880 0.465 18732 5054 1 16 . 1 1 48 48 VAL CA C 48 57.625 57.625 61.479 -3.854 18732 5055 1 16 . 1 1 48 48 VAL CB C 48 33.496 33.496 32.391 1.105 18732 5056 1 16 . 1 1 49 49 LYS N N 49 124.725 124.725 122.431 2.294 18732 5057 1 16 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.503 0.854 18732 5058 1 16 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.239 -3.200 18732 5059 1 16 . 1 1 50 50 GLN N N 50 121.028 121.028 118.874 2.154 18732 5060 1 16 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.128 0.858 18732 5061 1 16 . 1 1 50 50 GLN CA C 50 52.113 52.113 55.996 -3.883 18732 5062 1 16 . 1 1 50 50 GLN CB C 50 23.684 23.684 29.928 -6.244 18732 5063 1 16 . 1 1 51 51 TYR N N 51 124.549 124.549 116.305 8.244 18732 5064 1 16 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.890 0.328 18732 5065 1 16 . 1 1 51 51 TYR CA C 51 54.550 54.550 56.958 -2.408 18732 5066 1 16 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.396 -2.116 18732 5067 1 16 . 1 1 52 52 HIS N N 52 121.301 121.301 121.715 -0.414 18732 5068 1 16 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.243 -0.024 18732 5069 1 16 . 1 1 52 52 HIS CA C 52 51.708 51.708 54.639 -2.931 18732 5070 1 16 . 1 1 52 52 HIS CB C 52 28.907 28.907 31.847 -2.940 18732 5071 1 16 . 1 1 53 53 LEU N N 53 127.743 127.743 128.061 -0.318 18732 5072 1 16 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.644 0.564 18732 5073 1 16 . 1 1 53 53 LEU CA C 53 50.887 50.887 52.732 -1.845 18732 5074 1 16 . 1 1 53 53 LEU CB C 53 42.084 42.084 43.975 -1.891 18732 5075 1 16 . 1 1 54 54 THR N N 54 117.996 117.996 117.799 0.197 18732 5076 1 16 . 1 1 54 54 THR HA H 54 4.600 4.600 4.411 0.189 18732 5077 1 16 . 1 1 54 54 THR CA C 54 59.774 59.774 61.681 -1.907 18732 5078 1 16 . 1 1 54 54 THR CB C 54 67.153 67.153 69.127 -1.974 18732 5079 1 16 . 1 1 55 55 LEU N N 55 129.329 129.329 126.705 2.624 18732 5080 1 16 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.770 0.304 18732 5081 1 16 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.694 -2.925 18732 5082 1 16 . 1 1 55 55 LEU CB C 55 42.090 42.090 42.106 -0.016 18732 5083 1 16 . 1 1 56 56 ARG N N 56 117.231 117.231 118.695 -1.464 18732 5084 1 16 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.752 0.605 18732 5085 1 16 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.756 -2.881 18732 5086 1 16 . 1 1 56 56 ARG CB C 56 31.945 31.945 34.132 -2.187 18732 5087 1 16 . 1 1 57 57 GLU N N 57 128.411 128.411 125.485 2.926 18732 5088 1 16 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.763 -0.072 18732 5089 1 16 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.173 -2.309 18732 5090 1 16 . 1 1 57 57 GLU CB C 57 29.942 29.942 31.686 -1.744 18732 5091 1 16 . 1 1 58 58 GLY N N 58 118.265 118.265 117.417 0.848 18732 5092 1 16 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.270 -2.327 18732 5093 1 16 . 1 1 59 59 SER N N 59 122.061 122.061 119.341 2.720 18732 5094 1 16 . 1 1 59 59 SER HA H 59 4.567 4.567 4.592 -0.025 18732 5095 1 16 . 1 1 59 59 SER CA C 59 55.730 55.730 58.010 -2.280 18732 5096 1 16 . 1 1 59 59 SER CB C 59 61.262 61.262 64.086 -2.824 18732 5097 1 16 . 1 1 60 60 LYS N N 60 124.154 124.154 122.101 2.053 18732 5098 1 16 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.528 0.092 18732 5099 1 16 . 1 1 60 60 LYS CA C 60 53.444 53.444 56.081 -2.637 18732 5100 1 16 . 1 1 60 60 LYS CB C 60 32.144 32.144 34.357 -2.213 18732 5101 1 16 . 1 1 61 61 GLU N N 61 125.701 125.701 122.920 2.781 18732 5102 1 16 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.085 0.429 18732 5103 1 16 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.708 -3.602 18732 5104 1 16 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.369 -2.829 18732 5105 1 16 . 1 1 62 62 PHE N N 62 121.360 121.360 120.688 0.672 18732 5106 1 16 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.916 0.130 18732 5107 1 16 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.621 -2.258 18732 5108 1 16 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.729 -3.930 18732 5109 1 16 . 1 1 63 63 GLY N N 63 107.546 107.546 108.286 -0.740 18732 5110 1 16 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.600 -1.968 18732 5111 1 16 . 1 1 64 64 VAL N N 64 115.031 115.031 119.279 -4.248 18732 5112 1 16 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.613 0.407 18732 5113 1 16 . 1 1 64 64 VAL CA C 64 57.030 57.030 58.926 -1.896 18732 5114 1 16 . 1 1 64 64 VAL CB C 64 34.152 34.152 34.992 -0.840 18732 5115 1 16 . 1 1 65 65 PHE N N 65 122.208 122.208 122.138 0.070 18732 5116 1 16 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.172 0.460 18732 5117 1 16 . 1 1 65 65 PHE CA C 65 54.000 54.000 57.603 -3.603 18732 5118 1 16 . 1 1 65 65 PHE CB C 65 39.295 39.295 40.466 -1.171 18732 5119 1 16 . 1 1 66 66 VAL N N 66 123.832 123.832 117.263 6.569 18732 5120 1 16 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.470 0.687 18732 5121 1 16 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.359 -2.725 18732 5122 1 16 . 1 1 66 66 VAL CB C 66 32.312 32.312 35.334 -3.022 18732 5123 1 16 . 1 1 67 67 THR N N 67 125.293 125.293 122.789 2.504 18732 5124 1 16 . 1 1 67 67 THR CA C 67 57.150 57.150 61.592 -4.442 18732 5125 1 16 . 1 1 67 67 THR CB C 67 67.050 67.050 69.833 -2.783 18732 5126 1 16 . 1 1 68 68 ILE N N 68 128.624 128.624 129.227 -0.603 18732 5127 1 16 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.555 0.308 18732 5128 1 16 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.667 -2.434 18732 5129 1 16 . 1 1 68 68 ILE CB C 68 39.314 39.314 40.427 -1.113 18732 5130 1 16 . 1 1 69 69 SER N N 69 122.023 122.023 123.469 -1.446 18732 5131 1 16 . 1 1 69 69 SER HA H 69 5.804 5.804 5.145 0.659 18732 5132 1 16 . 1 1 69 69 SER CA C 69 53.530 53.530 57.529 -3.999 18732 5133 1 16 . 1 1 69 69 SER CB C 69 61.921 61.921 63.855 -1.933 18732 5134 1 16 . 1 1 70 70 PHE N N 70 123.800 123.800 122.813 0.987 18732 5135 1 16 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.307 0.070 18732 5136 1 16 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.096 -1.953 18732 5137 1 16 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.650 -1.282 18732 5138 1 16 . 1 1 71 71 ASP N N 71 121.547 121.547 121.170 0.377 18732 5139 1 16 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.199 -0.100 18732 5140 1 16 . 1 1 71 71 ASP CA C 71 48.222 48.222 51.581 -3.359 18732 5141 1 16 . 1 1 71 71 ASP CB C 71 40.845 40.845 42.739 -1.894 18732 5142 1 16 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.399 -0.034 18732 5143 1 16 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.594 -2.995 18732 5144 1 16 . 1 1 72 72 PRO CB C 72 29.666 29.666 31.845 -2.179 18732 5145 1 16 . 1 1 73 73 TYR N N 73 118.085 118.085 118.642 -0.557 18732 5146 1 16 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.298 0.328 18732 5147 1 16 . 1 1 73 73 TYR CA C 73 57.330 57.330 59.996 -2.666 18732 5148 1 16 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.263 -2.683 18732 5149 1 16 . 1 1 74 74 SER N N 74 113.942 113.942 111.470 2.472 18732 5150 1 16 . 1 1 74 74 SER HA H 74 4.506 4.506 4.567 -0.061 18732 5151 1 16 . 1 1 74 74 SER CA C 74 56.253 56.253 58.286 -2.033 18732 5152 1 16 . 1 1 74 74 SER CB C 74 62.670 62.670 63.688 -1.018 18732 5153 1 16 . 1 1 75 75 GLN N N 75 115.717 115.717 120.042 -4.325 18732 5154 1 16 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.601 -0.357 18732 5155 1 16 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.074 -1.502 18732 5156 1 16 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.936 -3.313 18732 5157 1 16 . 1 1 76 76 LYS N N 76 119.205 119.205 120.484 -1.279 18732 5158 1 16 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.475 -0.031 18732 5159 1 16 . 1 1 76 76 LYS CA C 76 54.013 54.013 55.887 -1.874 18732 5160 1 16 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.520 -2.145 18732 5161 1 16 . 1 1 77 77 VAL N N 77 125.587 125.587 125.976 -0.389 18732 5162 1 16 . 1 1 77 77 VAL HA H 77 4.004 4.004 3.976 0.028 18732 5163 1 16 . 1 1 77 77 VAL CA C 77 61.558 61.558 62.271 -0.713 18732 5164 1 16 . 1 1 77 77 VAL CB C 77 30.401 30.401 32.881 -2.480 18732 5165 1 16 . 1 1 78 78 ASN N N 78 126.604 126.604 128.547 -1.943 18732 5166 1 16 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.670 0.280 18732 5167 1 16 . 1 1 78 78 ASN CA C 78 51.577 51.577 55.571 -3.994 18732 5168 1 16 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.065 -1.704 18732 5169 1 16 . 1 1 79 79 LYS N N 79 118.463 118.463 118.175 0.288 18732 5170 1 16 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.780 -0.162 18732 5171 1 16 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.462 -1.890 18732 5172 1 16 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.322 -2.793 18732 5173 1 16 . 1 1 80 80 ILE N N 80 123.294 123.294 120.503 2.791 18732 5174 1 16 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.159 -0.088 18732 5175 1 16 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.844 -2.148 18732 5176 1 16 . 1 1 80 80 ILE CB C 80 38.260 38.260 40.813 -2.553 18732 5177 1 16 . 1 1 81 81 ALA N N 81 130.466 130.466 127.563 2.903 18732 5178 1 16 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.774 0.262 18732 5179 1 16 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.051 -2.829 18732 5180 1 16 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.299 -2.225 18732 5181 1 16 . 1 1 82 82 ILE N N 82 122.249 122.249 118.039 4.210 18732 5182 1 16 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.593 0.649 18732 5183 1 16 . 1 1 82 82 ILE CA C 82 57.675 57.675 60.209 -2.534 18732 5184 1 16 . 1 1 82 82 ILE CB C 82 37.792 37.792 42.268 -4.476 18732 5185 1 16 . 1 1 83 83 LEU N N 83 129.605 129.605 121.996 7.609 18732 5186 1 16 . 1 1 83 83 LEU HA H 83 4.954 4.954 5.012 -0.058 18732 5187 1 16 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.554 -2.222 18732 5188 1 16 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.391 -2.916 18732 5189 1 16 . 1 1 84 84 GLU N N 84 125.594 125.594 118.907 6.687 18732 5190 1 16 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.675 0.037 18732 5191 1 16 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.348 -0.958 18732 5192 1 16 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.586 -5.464 18732 5193 1 16 . 1 1 85 85 GLU N N 85 123.904 123.904 125.192 -1.288 18732 5194 1 16 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.325 0.104 18732 5195 1 16 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.447 -2.551 18732 5196 1 16 . 1 1 85 85 GLU CB C 85 28.642 28.642 31.014 -2.372 18732 5197 1 16 . 1 1 86 86 TYR N N 86 123.323 123.323 120.382 2.941 18732 5198 1 16 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.856 -0.135 18732 5199 1 16 . 1 1 86 86 TYR CA C 86 53.909 53.909 56.584 -2.675 18732 5200 1 16 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.610 -3.014 18732 5201 1 17 . 1 1 2 2 GLU N N 2 120.598 120.598 122.367 -1.769 18732 5202 1 17 . 1 1 2 2 GLU CA C 2 53.965 53.965 56.223 -2.258 18732 5203 1 17 . 1 1 2 2 GLU CB C 2 27.978 27.978 31.554 -3.576 18732 5204 1 17 . 1 1 3 3 GLU N N 3 120.984 120.984 119.274 1.710 18732 5205 1 17 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.193 0.005 18732 5206 1 17 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.857 2.178 18732 5207 1 17 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.096 0.172 18732 5208 1 17 . 1 1 4 4 THR N N 4 117.936 117.936 107.643 10.293 18732 5209 1 17 . 1 1 4 4 THR HA H 4 4.665 4.665 4.445 0.220 18732 5210 1 17 . 1 1 4 4 THR CA C 4 57.307 57.307 59.886 -2.579 18732 5211 1 17 . 1 1 4 4 THR CB C 4 67.215 67.215 70.235 -3.020 18732 5212 1 17 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.036 -2.296 18732 5213 1 17 . 1 1 5 5 PRO CB C 5 29.700 29.700 30.702 -1.002 18732 5214 1 17 . 1 1 6 6 LEU N N 6 122.097 122.097 123.303 -1.206 18732 5215 1 17 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.752 -0.371 18732 5216 1 17 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.787 -1.772 18732 5217 1 17 . 1 1 6 6 LEU CB C 6 40.054 40.054 42.634 -2.580 18732 5218 1 17 . 1 1 8 8 THR N N 8 116.987 116.987 113.389 3.598 18732 5219 1 17 . 1 1 8 8 THR HA H 8 4.348 4.348 4.372 -0.024 18732 5220 1 17 . 1 1 8 8 THR CA C 8 59.340 59.340 61.888 -2.548 18732 5221 1 17 . 1 1 8 8 THR CB C 8 67.234 67.234 68.454 -1.220 18732 5222 1 17 . 1 1 9 9 ALA N N 9 125.944 125.944 124.420 1.524 18732 5223 1 17 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.663 -0.289 18732 5224 1 17 . 1 1 9 9 ALA CA C 9 50.009 50.009 51.584 -1.575 18732 5225 1 17 . 1 1 9 9 ALA CB C 9 16.807 16.807 19.600 -2.793 18732 5226 1 17 . 1 1 10 10 ARG N N 10 119.637 119.637 121.035 -1.398 18732 5227 1 17 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.361 -0.038 18732 5228 1 17 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.727 -2.195 18732 5229 1 17 . 1 1 10 10 ARG CB C 10 28.492 28.492 30.825 -2.333 18732 5230 1 17 . 1 1 11 11 HIS N N 11 119.667 119.667 117.824 1.843 18732 5231 1 17 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.361 0.356 18732 5232 1 17 . 1 1 11 11 HIS CA C 11 52.790 52.790 56.128 -3.338 18732 5233 1 17 . 1 1 11 11 HIS CB C 11 27.033 27.033 28.974 -1.940 18732 5234 1 17 . 1 1 12 12 MET N N 12 122.280 122.280 119.412 2.868 18732 5235 1 17 . 1 1 12 12 MET HA H 12 4.543 4.543 4.409 0.134 18732 5236 1 17 . 1 1 12 12 MET CA C 12 53.058 53.058 55.551 -2.493 18732 5237 1 17 . 1 1 12 12 MET CB C 12 29.647 29.647 33.340 -3.693 18732 5238 1 17 . 1 1 13 13 SER N N 13 118.363 118.363 115.764 2.599 18732 5239 1 17 . 1 1 13 13 SER HA H 13 4.515 4.515 4.357 0.158 18732 5240 1 17 . 1 1 13 13 SER CA C 13 55.083 55.083 58.068 -2.985 18732 5241 1 17 . 1 1 13 13 SER CB C 13 62.243 62.243 64.534 -2.291 18732 5242 1 17 . 1 1 14 14 LYS N N 14 123.039 123.039 124.738 -1.699 18732 5243 1 17 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.768 0.158 18732 5244 1 17 . 1 1 14 14 LYS CA C 14 55.880 55.880 59.271 -3.391 18732 5245 1 17 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.962 -2.467 18732 5246 1 17 . 1 1 15 15 TRP N N 15 118.585 118.585 116.442 2.143 18732 5247 1 17 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.822 -0.443 18732 5248 1 17 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.900 -1.331 18732 5249 1 17 . 1 1 15 15 TRP CB C 15 27.426 27.426 29.796 -2.370 18732 5250 1 17 . 1 1 16 16 GLU N N 16 119.418 119.418 121.522 -2.104 18732 5251 1 17 . 1 1 16 16 GLU HA H 16 2.976 2.976 2.923 0.053 18732 5252 1 17 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.132 -3.592 18732 5253 1 17 . 1 1 16 16 GLU CB C 16 27.787 27.787 29.106 -1.319 18732 5254 1 17 . 1 1 17 17 GLU N N 17 117.377 117.377 118.583 -1.206 18732 5255 1 17 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.021 -0.111 18732 5256 1 17 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.700 -2.802 18732 5257 1 17 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.589 -2.736 18732 5258 1 17 . 1 1 18 18 ILE N N 18 119.807 119.807 118.966 0.841 18732 5259 1 17 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.761 -0.093 18732 5260 1 17 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.049 -2.304 18732 5261 1 17 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.671 -2.008 18732 5262 1 17 . 1 1 19 19 ALA N N 19 121.744 121.744 121.576 0.168 18732 5263 1 17 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.130 -0.175 18732 5264 1 17 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.448 -2.005 18732 5265 1 17 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.495 -3.221 18732 5266 1 17 . 1 1 20 20 VAL N N 20 115.918 115.918 119.111 -3.193 18732 5267 1 17 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.660 -0.261 18732 5268 1 17 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.319 -1.990 18732 5269 1 17 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.351 -1.947 18732 5270 1 17 . 1 1 21 21 LYS N N 21 119.785 119.785 119.694 0.091 18732 5271 1 17 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.957 -0.036 18732 5272 1 17 . 1 1 21 21 LYS CA C 21 57.442 57.442 59.910 -2.468 18732 5273 1 17 . 1 1 21 21 LYS CB C 21 33.512 33.512 31.807 1.705 18732 5274 1 17 . 1 1 22 22 GLU N N 22 118.955 118.955 119.741 -0.786 18732 5275 1 17 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.147 -0.078 18732 5276 1 17 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.010 -2.749 18732 5277 1 17 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.288 -3.192 18732 5278 1 17 . 1 1 23 23 ALA N N 23 122.253 122.253 121.045 1.208 18732 5279 1 17 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.270 -0.169 18732 5280 1 17 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.812 -1.586 18732 5281 1 17 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.751 -3.242 18732 5282 1 17 . 1 1 24 24 LYS N N 24 116.889 116.889 116.758 0.131 18732 5283 1 17 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.220 -0.201 18732 5284 1 17 . 1 1 24 24 LYS CA C 24 55.745 55.745 58.760 -3.014 18732 5285 1 17 . 1 1 24 24 LYS CB C 24 29.185 29.185 32.895 -3.710 18732 5286 1 17 . 1 1 25 25 LYS N N 25 117.772 117.772 120.356 -2.584 18732 5287 1 17 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.277 -0.254 18732 5288 1 17 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.621 -2.281 18732 5289 1 17 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.205 -2.003 18732 5290 1 17 . 1 1 26 26 ARG N N 26 117.176 117.176 119.568 -2.392 18732 5291 1 17 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.129 -0.072 18732 5292 1 17 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.479 -3.488 18732 5293 1 17 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.625 -2.591 18732 5294 1 17 . 1 1 27 27 TYR N N 27 117.344 117.344 118.445 -1.101 18732 5295 1 17 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.950 0.132 18732 5296 1 17 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.171 -2.613 18732 5297 1 17 . 1 1 27 27 TYR CB C 27 35.987 35.987 39.170 -3.183 18732 5298 1 17 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.450 0.299 18732 5299 1 17 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.725 -2.332 18732 5300 1 17 . 1 1 28 28 PRO CB C 28 29.855 29.855 31.986 -2.131 18732 5301 1 17 . 1 1 29 29 LEU N N 29 117.758 117.758 117.719 0.039 18732 5302 1 17 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.574 0.015 18732 5303 1 17 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.149 -2.575 18732 5304 1 17 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.573 -2.683 18732 5305 1 17 . 1 1 30 30 ALA N N 30 122.493 122.493 118.103 4.390 18732 5306 1 17 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.843 0.008 18732 5307 1 17 . 1 1 30 30 ALA CA C 30 48.855 48.855 51.457 -2.602 18732 5308 1 17 . 1 1 30 30 ALA CB C 30 19.668 19.668 21.517 -1.849 18732 5309 1 17 . 1 1 31 31 GLN N N 31 118.936 118.936 117.115 1.821 18732 5310 1 17 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.690 -0.051 18732 5311 1 17 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.698 -3.427 18732 5312 1 17 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.841 -3.998 18732 5313 1 17 . 1 1 32 32 VAL N N 32 123.815 123.815 121.978 1.837 18732 5314 1 17 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.211 0.454 18732 5315 1 17 . 1 1 32 32 VAL CA C 32 60.265 60.265 62.280 -2.015 18732 5316 1 17 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.351 -3.473 18732 5317 1 17 . 1 1 33 33 LEU N N 33 128.709 128.709 123.110 5.599 18732 5318 1 17 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.748 -0.506 18732 5319 1 17 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.128 -0.745 18732 5320 1 17 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.367 -1.244 18732 5321 1 17 . 1 1 34 34 PHE N N 34 114.779 114.779 120.917 -6.138 18732 5322 1 17 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.603 -0.697 18732 5323 1 17 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.589 -3.674 18732 5324 1 17 . 1 1 34 34 PHE CB C 34 40.653 40.653 42.785 -2.132 18732 5325 1 17 . 1 1 35 35 LYS N N 35 120.077 120.077 123.721 -3.644 18732 5326 1 17 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.542 0.696 18732 5327 1 17 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.362 -3.065 18732 5328 1 17 . 1 1 35 35 LYS CB C 35 32.998 32.998 32.409 0.589 18732 5329 1 17 . 1 1 36 36 GLN N N 36 119.491 119.491 121.661 -2.170 18732 5330 1 17 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.619 0.617 18732 5331 1 17 . 1 1 36 36 GLN CA C 36 52.197 52.197 55.718 -3.521 18732 5332 1 17 . 1 1 36 36 GLN CB C 36 30.609 30.609 31.257 -0.648 18732 5333 1 17 . 1 1 37 37 LYS N N 37 128.471 128.471 120.872 7.599 18732 5334 1 17 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.664 0.131 18732 5335 1 17 . 1 1 37 37 LYS CA C 37 54.661 54.661 56.064 -1.403 18732 5336 1 17 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.916 -2.643 18732 5337 1 17 . 1 1 38 38 VAL N N 38 125.112 125.112 119.103 6.009 18732 5338 1 17 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.440 -0.103 18732 5339 1 17 . 1 1 38 38 VAL CA C 38 60.252 60.252 61.149 -0.897 18732 5340 1 17 . 1 1 38 38 VAL CB C 38 30.720 30.720 34.675 -3.955 18732 5341 1 17 . 1 1 39 39 TRP N N 39 123.085 123.085 126.315 -3.230 18732 5342 1 17 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.443 0.406 18732 5343 1 17 . 1 1 39 39 TRP CA C 39 54.206 54.206 57.810 -3.604 18732 5344 1 17 . 1 1 39 39 TRP CB C 39 30.461 30.461 28.858 1.603 18732 5345 1 17 . 1 1 40 40 ASP N N 40 123.000 123.000 124.836 -1.836 18732 5346 1 17 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.542 0.586 18732 5347 1 17 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.794 -2.689 18732 5348 1 17 . 1 1 40 40 ASP CB C 40 41.077 41.077 41.519 -0.442 18732 5349 1 17 . 1 1 41 41 ARG N N 41 123.259 123.259 122.413 0.846 18732 5350 1 17 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.199 0.349 18732 5351 1 17 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.511 -1.888 18732 5352 1 17 . 1 1 41 41 ARG CB C 41 31.417 31.417 33.191 -1.774 18732 5353 1 17 . 1 1 42 42 LYS N N 42 124.798 124.798 122.361 2.437 18732 5354 1 17 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.277 0.411 18732 5355 1 17 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.700 -0.927 18732 5356 1 17 . 1 1 42 42 LYS CB C 42 31.787 31.787 34.678 -2.891 18732 5357 1 17 . 1 1 43 43 ARG N N 43 124.461 124.461 123.750 0.711 18732 5358 1 17 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.518 0.131 18732 5359 1 17 . 1 1 43 43 ARG CA C 43 52.179 52.179 55.037 -2.858 18732 5360 1 17 . 1 1 43 43 ARG CB C 43 30.149 30.149 31.419 -1.270 18732 5361 1 17 . 1 1 44 44 LYS N N 44 121.297 121.297 121.478 -0.181 18732 5362 1 17 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.124 -0.101 18732 5363 1 17 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.755 -2.119 18732 5364 1 17 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.400 -2.288 18732 5365 1 17 . 1 1 45 45 ASP N N 45 115.145 115.145 114.315 0.830 18732 5366 1 17 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.572 0.178 18732 5367 1 17 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.360 -2.260 18732 5368 1 17 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.076 -2.383 18732 5369 1 17 . 1 1 46 46 GLU N N 46 118.274 118.274 117.908 0.366 18732 5370 1 17 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.353 0.114 18732 5371 1 17 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.553 -1.831 18732 5372 1 17 . 1 1 46 46 GLU CB C 46 30.070 30.070 32.891 -2.821 18732 5373 1 17 . 1 1 47 47 ALA N N 47 127.506 127.506 120.645 6.861 18732 5374 1 17 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.404 0.290 18732 5375 1 17 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.971 -2.863 18732 5376 1 17 . 1 1 47 47 ALA CB C 47 18.842 18.842 21.699 -2.857 18732 5377 1 17 . 1 1 48 48 VAL N N 48 118.088 118.088 119.798 -1.710 18732 5378 1 17 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.753 0.592 18732 5379 1 17 . 1 1 48 48 VAL CA C 48 57.625 57.625 61.133 -3.508 18732 5380 1 17 . 1 1 48 48 VAL CB C 48 33.496 33.496 35.069 -1.573 18732 5381 1 17 . 1 1 49 49 LYS N N 49 124.725 124.725 126.288 -1.563 18732 5382 1 17 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.611 0.746 18732 5383 1 17 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.527 -3.488 18732 5384 1 17 . 1 1 50 50 GLN N N 50 121.028 121.028 120.231 0.797 18732 5385 1 17 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.584 0.402 18732 5386 1 17 . 1 1 50 50 GLN CA C 50 52.113 52.113 55.853 -3.740 18732 5387 1 17 . 1 1 50 50 GLN CB C 50 23.684 23.684 30.763 -7.079 18732 5388 1 17 . 1 1 51 51 TYR N N 51 124.549 124.549 115.812 8.737 18732 5389 1 17 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.808 0.410 18732 5390 1 17 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.273 -2.723 18732 5391 1 17 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.909 -2.629 18732 5392 1 17 . 1 1 52 52 HIS N N 52 121.301 121.301 120.707 0.594 18732 5393 1 17 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.212 0.007 18732 5394 1 17 . 1 1 52 52 HIS CA C 52 51.708 51.708 53.909 -2.201 18732 5395 1 17 . 1 1 52 52 HIS CB C 52 28.907 28.907 32.730 -3.823 18732 5396 1 17 . 1 1 53 53 LEU N N 53 127.743 127.743 127.653 0.090 18732 5397 1 17 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.754 0.454 18732 5398 1 17 . 1 1 53 53 LEU CA C 53 50.887 50.887 52.375 -1.488 18732 5399 1 17 . 1 1 53 53 LEU CB C 53 42.084 42.084 44.947 -2.864 18732 5400 1 17 . 1 1 54 54 THR N N 54 117.996 117.996 120.161 -2.165 18732 5401 1 17 . 1 1 54 54 THR HA H 54 4.600 4.600 4.297 0.303 18732 5402 1 17 . 1 1 54 54 THR CA C 54 59.774 59.774 62.872 -3.098 18732 5403 1 17 . 1 1 54 54 THR CB C 54 67.153 67.153 68.991 -1.838 18732 5404 1 17 . 1 1 55 55 LEU N N 55 129.329 129.329 126.652 2.677 18732 5405 1 17 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.726 0.348 18732 5406 1 17 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.730 -2.961 18732 5407 1 17 . 1 1 55 55 LEU CB C 55 42.090 42.090 41.827 0.263 18732 5408 1 17 . 1 1 56 56 ARG N N 56 117.231 117.231 120.481 -3.250 18732 5409 1 17 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.736 0.621 18732 5410 1 17 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.720 -2.845 18732 5411 1 17 . 1 1 56 56 ARG CB C 56 31.945 31.945 32.544 -0.599 18732 5412 1 17 . 1 1 57 57 GLU N N 57 128.411 128.411 128.265 0.146 18732 5413 1 17 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.537 0.154 18732 5414 1 17 . 1 1 57 57 GLU CA C 57 52.864 52.864 56.613 -3.749 18732 5415 1 17 . 1 1 57 57 GLU CB C 57 29.942 29.942 31.645 -1.703 18732 5416 1 17 . 1 1 58 58 GLY N N 58 118.265 118.265 116.246 2.019 18732 5417 1 17 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.442 -2.499 18732 5418 1 17 . 1 1 59 59 SER N N 59 122.061 122.061 117.413 4.648 18732 5419 1 17 . 1 1 59 59 SER HA H 59 4.567 4.567 4.707 -0.140 18732 5420 1 17 . 1 1 59 59 SER CA C 59 55.730 55.730 57.907 -2.177 18732 5421 1 17 . 1 1 59 59 SER CB C 59 61.262 61.262 65.364 -4.102 18732 5422 1 17 . 1 1 60 60 LYS N N 60 124.154 124.154 123.189 0.965 18732 5423 1 17 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.533 0.087 18732 5424 1 17 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.501 -2.057 18732 5425 1 17 . 1 1 60 60 LYS CB C 60 32.144 32.144 34.835 -2.691 18732 5426 1 17 . 1 1 61 61 GLU N N 61 125.701 125.701 121.264 4.437 18732 5427 1 17 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.322 0.192 18732 5428 1 17 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.183 -3.077 18732 5429 1 17 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.446 -2.906 18732 5430 1 17 . 1 1 62 62 PHE N N 62 121.360 121.360 119.629 1.731 18732 5431 1 17 . 1 1 62 62 PHE HA H 62 5.046 5.046 5.000 0.046 18732 5432 1 17 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.721 -2.358 18732 5433 1 17 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.887 -4.088 18732 5434 1 17 . 1 1 63 63 GLY N N 63 107.546 107.546 108.929 -1.383 18732 5435 1 17 . 1 1 63 63 GLY CA C 63 41.632 41.632 44.075 -2.443 18732 5436 1 17 . 1 1 64 64 VAL N N 64 115.031 115.031 118.545 -3.514 18732 5437 1 17 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.799 0.221 18732 5438 1 17 . 1 1 64 64 VAL CA C 64 57.030 57.030 60.130 -3.100 18732 5439 1 17 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.224 -1.072 18732 5440 1 17 . 1 1 65 65 PHE N N 65 122.208 122.208 122.825 -0.617 18732 5441 1 17 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.663 -0.031 18732 5442 1 17 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.299 -2.299 18732 5443 1 17 . 1 1 65 65 PHE CB C 65 39.295 39.295 42.577 -3.282 18732 5444 1 17 . 1 1 66 66 VAL N N 66 123.832 123.832 121.059 2.773 18732 5445 1 17 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.688 0.469 18732 5446 1 17 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.380 -2.746 18732 5447 1 17 . 1 1 66 66 VAL CB C 66 32.312 32.312 33.557 -1.246 18732 5448 1 17 . 1 1 67 67 THR N N 67 125.293 125.293 123.757 1.536 18732 5449 1 17 . 1 1 67 67 THR CA C 67 57.150 57.150 63.782 -6.632 18732 5450 1 17 . 1 1 67 67 THR CB C 67 67.050 67.050 69.031 -1.981 18732 5451 1 17 . 1 1 68 68 ILE N N 68 128.624 128.624 129.451 -0.827 18732 5452 1 17 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.522 0.341 18732 5453 1 17 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.493 -2.260 18732 5454 1 17 . 1 1 68 68 ILE CB C 68 39.314 39.314 39.918 -0.604 18732 5455 1 17 . 1 1 69 69 SER N N 69 122.023 122.023 123.370 -1.347 18732 5456 1 17 . 1 1 69 69 SER HA H 69 5.804 5.804 5.327 0.477 18732 5457 1 17 . 1 1 69 69 SER CA C 69 53.530 53.530 57.209 -3.679 18732 5458 1 17 . 1 1 69 69 SER CB C 69 61.921 61.921 64.378 -2.457 18732 5459 1 17 . 1 1 70 70 PHE N N 70 123.800 123.800 122.373 1.427 18732 5460 1 17 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.220 0.157 18732 5461 1 17 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.184 -2.041 18732 5462 1 17 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.358 -0.989 18732 5463 1 17 . 1 1 71 71 ASP N N 71 121.547 121.547 120.829 0.718 18732 5464 1 17 . 1 1 71 71 ASP HA H 71 5.099 5.099 4.848 0.251 18732 5465 1 17 . 1 1 71 71 ASP CA C 71 48.222 48.222 51.717 -3.495 18732 5466 1 17 . 1 1 71 71 ASP CB C 71 40.845 40.845 42.052 -1.207 18732 5467 1 17 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.362 0.003 18732 5468 1 17 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.631 -3.032 18732 5469 1 17 . 1 1 72 72 PRO CB C 72 29.666 29.666 31.747 -2.081 18732 5470 1 17 . 1 1 73 73 TYR N N 73 118.085 118.085 118.774 -0.689 18732 5471 1 17 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.324 0.302 18732 5472 1 17 . 1 1 73 73 TYR CA C 73 57.330 57.330 59.525 -2.195 18732 5473 1 17 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.181 -2.601 18732 5474 1 17 . 1 1 74 74 SER N N 74 113.942 113.942 109.948 3.994 18732 5475 1 17 . 1 1 74 74 SER HA H 74 4.506 4.506 4.552 -0.046 18732 5476 1 17 . 1 1 74 74 SER CA C 74 56.253 56.253 57.787 -1.534 18732 5477 1 17 . 1 1 74 74 SER CB C 74 62.670 62.670 65.148 -2.478 18732 5478 1 17 . 1 1 75 75 GLN N N 75 115.717 115.717 120.193 -4.476 18732 5479 1 17 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.599 -0.355 18732 5480 1 17 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.196 -1.624 18732 5481 1 17 . 1 1 75 75 GLN CB C 75 23.623 23.623 27.363 -3.740 18732 5482 1 17 . 1 1 76 76 LYS N N 76 119.205 119.205 119.952 -0.747 18732 5483 1 17 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.660 -0.215 18732 5484 1 17 . 1 1 76 76 LYS CA C 76 54.013 54.013 55.122 -1.109 18732 5485 1 17 . 1 1 76 76 LYS CB C 76 31.375 31.375 34.428 -3.053 18732 5486 1 17 . 1 1 77 77 VAL N N 77 125.587 125.587 126.640 -1.053 18732 5487 1 17 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.071 -0.067 18732 5488 1 17 . 1 1 77 77 VAL CA C 77 61.558 61.558 62.494 -0.936 18732 5489 1 17 . 1 1 77 77 VAL CB C 77 30.401 30.401 32.707 -2.306 18732 5490 1 17 . 1 1 78 78 ASN N N 78 126.604 126.604 127.955 -1.351 18732 5491 1 17 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.838 0.112 18732 5492 1 17 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.666 -3.089 18732 5493 1 17 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.592 -2.231 18732 5494 1 17 . 1 1 79 79 LYS N N 79 118.463 118.463 118.971 -0.508 18732 5495 1 17 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.724 -0.106 18732 5496 1 17 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.587 -2.015 18732 5497 1 17 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.907 -3.378 18732 5498 1 17 . 1 1 80 80 ILE N N 80 123.294 123.294 120.455 2.839 18732 5499 1 17 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.312 -0.241 18732 5500 1 17 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.428 -1.732 18732 5501 1 17 . 1 1 80 80 ILE CB C 80 38.260 38.260 40.264 -2.005 18732 5502 1 17 . 1 1 81 81 ALA N N 81 130.466 130.466 127.352 3.114 18732 5503 1 17 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.762 0.274 18732 5504 1 17 . 1 1 81 81 ALA CA C 81 48.222 48.222 50.979 -2.757 18732 5505 1 17 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.474 -2.400 18732 5506 1 17 . 1 1 82 82 ILE N N 82 122.249 122.249 119.417 2.832 18732 5507 1 17 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.875 0.367 18732 5508 1 17 . 1 1 82 82 ILE CA C 82 57.675 57.675 60.078 -2.403 18732 5509 1 17 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.869 -4.077 18732 5510 1 17 . 1 1 83 83 LEU N N 83 129.605 129.605 126.156 3.449 18732 5511 1 17 . 1 1 83 83 LEU HA H 83 4.954 4.954 5.077 -0.123 18732 5512 1 17 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.730 -2.398 18732 5513 1 17 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.568 -3.093 18732 5514 1 17 . 1 1 84 84 GLU N N 84 125.594 125.594 124.074 1.520 18732 5515 1 17 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.782 -0.070 18732 5516 1 17 . 1 1 84 84 GLU CA C 84 54.390 54.390 54.845 -0.455 18732 5517 1 17 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.164 -5.042 18732 5518 1 17 . 1 1 85 85 GLU N N 85 123.904 123.904 126.759 -2.855 18732 5519 1 17 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.315 0.114 18732 5520 1 17 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.663 -2.767 18732 5521 1 17 . 1 1 85 85 GLU CB C 85 28.642 28.642 30.542 -1.900 18732 5522 1 17 . 1 1 86 86 TYR N N 86 123.323 123.323 122.199 1.124 18732 5523 1 17 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.841 -0.120 18732 5524 1 17 . 1 1 86 86 TYR CA C 86 53.909 53.909 56.590 -2.682 18732 5525 1 17 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.641 -3.045 18732 5526 1 18 . 1 1 2 2 GLU N N 2 120.598 120.598 121.875 -1.277 18732 5527 1 18 . 1 1 2 2 GLU CA C 2 53.965 53.965 56.304 -2.339 18732 5528 1 18 . 1 1 2 2 GLU CB C 2 27.978 27.978 30.079 -2.101 18732 5529 1 18 . 1 1 3 3 GLU N N 3 120.984 120.984 121.189 -0.205 18732 5530 1 18 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.124 0.074 18732 5531 1 18 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.606 2.429 18732 5532 1 18 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.168 0.100 18732 5533 1 18 . 1 1 4 4 THR N N 4 117.936 117.936 109.646 8.290 18732 5534 1 18 . 1 1 4 4 THR HA H 4 4.665 4.665 4.403 0.262 18732 5535 1 18 . 1 1 4 4 THR CA C 4 57.307 57.307 59.140 -1.833 18732 5536 1 18 . 1 1 4 4 THR CB C 4 67.215 67.215 70.472 -3.257 18732 5537 1 18 . 1 1 5 5 PRO CA C 5 60.740 60.740 62.994 -2.254 18732 5538 1 18 . 1 1 5 5 PRO CB C 5 29.700 29.700 30.922 -1.222 18732 5539 1 18 . 1 1 6 6 LEU N N 6 122.097 122.097 126.162 -4.065 18732 5540 1 18 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.585 -0.204 18732 5541 1 18 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.332 -1.317 18732 5542 1 18 . 1 1 6 6 LEU CB C 6 40.054 40.054 42.931 -2.877 18732 5543 1 18 . 1 1 8 8 THR N N 8 116.987 116.987 117.262 -0.275 18732 5544 1 18 . 1 1 8 8 THR HA H 8 4.348 4.348 4.467 -0.119 18732 5545 1 18 . 1 1 8 8 THR CA C 8 59.340 59.340 61.877 -2.537 18732 5546 1 18 . 1 1 8 8 THR CB C 8 67.234 67.234 70.771 -3.537 18732 5547 1 18 . 1 1 9 9 ALA N N 9 125.944 125.944 127.722 -1.778 18732 5548 1 18 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.344 0.030 18732 5549 1 18 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.530 -2.521 18732 5550 1 18 . 1 1 9 9 ALA CB C 9 16.807 16.807 18.820 -2.013 18732 5551 1 18 . 1 1 10 10 ARG N N 10 119.637 119.637 121.922 -2.285 18732 5552 1 18 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.562 -0.239 18732 5553 1 18 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.078 -1.546 18732 5554 1 18 . 1 1 10 10 ARG CB C 10 28.492 28.492 32.570 -4.078 18732 5555 1 18 . 1 1 11 11 HIS N N 11 119.667 119.667 120.116 -0.449 18732 5556 1 18 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.442 0.275 18732 5557 1 18 . 1 1 11 11 HIS CA C 11 52.790 52.790 56.589 -3.799 18732 5558 1 18 . 1 1 11 11 HIS CB C 11 27.033 27.033 30.347 -3.314 18732 5559 1 18 . 1 1 12 12 MET N N 12 122.280 122.280 120.972 1.308 18732 5560 1 18 . 1 1 12 12 MET HA H 12 4.543 4.543 4.736 -0.193 18732 5561 1 18 . 1 1 12 12 MET CA C 12 53.058 53.058 54.466 -1.408 18732 5562 1 18 . 1 1 12 12 MET CB C 12 29.647 29.647 35.783 -6.136 18732 5563 1 18 . 1 1 13 13 SER N N 13 118.363 118.363 116.419 1.944 18732 5564 1 18 . 1 1 13 13 SER HA H 13 4.515 4.515 4.505 0.010 18732 5565 1 18 . 1 1 13 13 SER CA C 13 55.083 55.083 58.314 -3.231 18732 5566 1 18 . 1 1 13 13 SER CB C 13 62.243 62.243 64.135 -1.892 18732 5567 1 18 . 1 1 14 14 LYS N N 14 123.039 123.039 122.000 1.039 18732 5568 1 18 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.872 0.054 18732 5569 1 18 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.160 -2.280 18732 5570 1 18 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.850 -2.355 18732 5571 1 18 . 1 1 15 15 TRP N N 15 118.585 118.585 116.310 2.275 18732 5572 1 18 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.887 -0.508 18732 5573 1 18 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.699 -1.130 18732 5574 1 18 . 1 1 15 15 TRP CB C 15 27.426 27.426 30.599 -3.173 18732 5575 1 18 . 1 1 16 16 GLU N N 16 119.418 119.418 120.752 -1.334 18732 5576 1 18 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.174 -0.198 18732 5577 1 18 . 1 1 16 16 GLU CA C 16 56.540 56.540 59.278 -2.738 18732 5578 1 18 . 1 1 16 16 GLU CB C 16 27.787 27.787 29.247 -1.460 18732 5579 1 18 . 1 1 17 17 GLU N N 17 117.377 117.377 117.148 0.229 18732 5580 1 18 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.043 -0.133 18732 5581 1 18 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.140 -2.242 18732 5582 1 18 . 1 1 17 17 GLU CB C 17 26.853 26.853 30.088 -3.235 18732 5583 1 18 . 1 1 18 18 ILE N N 18 119.807 119.807 120.408 -0.601 18732 5584 1 18 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.788 -0.120 18732 5585 1 18 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.054 -2.309 18732 5586 1 18 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.843 -2.180 18732 5587 1 18 . 1 1 19 19 ALA N N 19 121.744 121.744 118.391 3.353 18732 5588 1 18 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.269 -0.314 18732 5589 1 18 . 1 1 19 19 ALA CA C 19 53.443 53.443 54.150 -0.707 18732 5590 1 18 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.900 -3.626 18732 5591 1 18 . 1 1 20 20 VAL N N 20 115.918 115.918 118.519 -2.601 18732 5592 1 18 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.864 -0.465 18732 5593 1 18 . 1 1 20 20 VAL CA C 20 64.329 64.329 65.461 -1.132 18732 5594 1 18 . 1 1 20 20 VAL CB C 20 29.404 29.404 32.101 -2.697 18732 5595 1 18 . 1 1 21 21 LYS N N 21 119.785 119.785 118.647 1.138 18732 5596 1 18 . 1 1 21 21 LYS HA H 21 3.921 3.921 4.040 -0.119 18732 5597 1 18 . 1 1 21 21 LYS CA C 21 57.442 57.442 59.416 -1.974 18732 5598 1 18 . 1 1 21 21 LYS CB C 21 33.512 33.512 31.991 1.521 18732 5599 1 18 . 1 1 22 22 GLU N N 22 118.955 118.955 117.539 1.416 18732 5600 1 18 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.496 -0.427 18732 5601 1 18 . 1 1 22 22 GLU CA C 22 56.261 56.261 57.240 -0.979 18732 5602 1 18 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.940 -3.844 18732 5603 1 18 . 1 1 23 23 ALA N N 23 122.253 122.253 121.553 0.700 18732 5604 1 18 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.315 -0.214 18732 5605 1 18 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.273 -1.047 18732 5606 1 18 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.611 -3.102 18732 5607 1 18 . 1 1 24 24 LYS N N 24 116.889 116.889 115.669 1.220 18732 5608 1 18 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.241 -0.222 18732 5609 1 18 . 1 1 24 24 LYS CA C 24 55.745 55.745 58.436 -2.691 18732 5610 1 18 . 1 1 24 24 LYS CB C 24 29.185 29.185 32.524 -3.339 18732 5611 1 18 . 1 1 25 25 LYS N N 25 117.772 117.772 120.559 -2.787 18732 5612 1 18 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.224 -0.201 18732 5613 1 18 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.247 -1.907 18732 5614 1 18 . 1 1 25 25 LYS CB C 25 30.202 30.202 31.633 -1.431 18732 5615 1 18 . 1 1 26 26 ARG N N 26 117.176 117.176 119.070 -1.894 18732 5616 1 18 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.102 -0.045 18732 5617 1 18 . 1 1 26 26 ARG CA C 26 53.991 53.991 56.999 -3.008 18732 5618 1 18 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.642 -2.608 18732 5619 1 18 . 1 1 27 27 TYR N N 27 117.344 117.344 118.368 -1.024 18732 5620 1 18 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.932 0.150 18732 5621 1 18 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.416 -2.858 18732 5622 1 18 . 1 1 27 27 TYR CB C 27 35.987 35.987 39.325 -3.338 18732 5623 1 18 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.499 0.250 18732 5624 1 18 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.421 -2.028 18732 5625 1 18 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.154 -2.300 18732 5626 1 18 . 1 1 29 29 LEU N N 29 117.758 117.758 117.578 0.180 18732 5627 1 18 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.677 -0.088 18732 5628 1 18 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.078 -2.504 18732 5629 1 18 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.487 -2.597 18732 5630 1 18 . 1 1 30 30 ALA N N 30 122.493 122.493 119.434 3.059 18732 5631 1 18 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.939 -0.088 18732 5632 1 18 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.959 -2.104 18732 5633 1 18 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.276 -2.608 18732 5634 1 18 . 1 1 31 31 GLN N N 31 118.936 118.936 116.873 2.063 18732 5635 1 18 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.753 -0.114 18732 5636 1 18 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.219 -2.948 18732 5637 1 18 . 1 1 31 31 GLN CB C 31 28.843 28.843 33.173 -4.330 18732 5638 1 18 . 1 1 32 32 VAL N N 32 123.815 123.815 120.714 3.101 18732 5639 1 18 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.497 0.168 18732 5640 1 18 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.389 -1.124 18732 5641 1 18 . 1 1 32 32 VAL CB C 32 28.878 28.878 33.134 -4.256 18732 5642 1 18 . 1 1 33 33 LEU N N 33 128.709 128.709 127.173 1.536 18732 5643 1 18 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.645 -0.403 18732 5644 1 18 . 1 1 33 33 LEU CA C 33 53.383 53.383 53.989 -0.606 18732 5645 1 18 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.622 -1.499 18732 5646 1 18 . 1 1 34 34 PHE N N 34 114.779 114.779 118.440 -3.661 18732 5647 1 18 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.605 -0.699 18732 5648 1 18 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.061 -3.146 18732 5649 1 18 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.437 -2.784 18732 5650 1 18 . 1 1 35 35 LYS N N 35 120.077 120.077 121.484 -1.407 18732 5651 1 18 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.977 0.261 18732 5652 1 18 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.032 -2.735 18732 5653 1 18 . 1 1 35 35 LYS CB C 35 32.998 32.998 34.920 -1.922 18732 5654 1 18 . 1 1 36 36 GLN N N 36 119.491 119.491 122.341 -2.850 18732 5655 1 18 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.805 0.431 18732 5656 1 18 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.480 -2.283 18732 5657 1 18 . 1 1 36 36 GLN CB C 36 30.609 30.609 33.913 -3.304 18732 5658 1 18 . 1 1 37 37 LYS N N 37 128.471 128.471 121.283 7.188 18732 5659 1 18 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.514 0.281 18732 5660 1 18 . 1 1 37 37 LYS CA C 37 54.661 54.661 56.494 -1.833 18732 5661 1 18 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.240 -1.967 18732 5662 1 18 . 1 1 38 38 VAL N N 38 125.112 125.112 118.067 7.045 18732 5663 1 18 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.462 -0.125 18732 5664 1 18 . 1 1 38 38 VAL CA C 38 60.252 60.252 61.103 -0.851 18732 5665 1 18 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.947 -3.227 18732 5666 1 18 . 1 1 39 39 TRP N N 39 123.085 123.085 124.398 -1.313 18732 5667 1 18 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.506 0.343 18732 5668 1 18 . 1 1 39 39 TRP CA C 39 54.206 54.206 58.739 -4.533 18732 5669 1 18 . 1 1 39 39 TRP CB C 39 30.461 30.461 30.220 0.241 18732 5670 1 18 . 1 1 40 40 ASP N N 40 123.000 123.000 123.352 -0.352 18732 5671 1 18 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.768 0.360 18732 5672 1 18 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.112 -2.007 18732 5673 1 18 . 1 1 40 40 ASP CB C 40 41.077 41.077 43.488 -2.411 18732 5674 1 18 . 1 1 41 41 ARG N N 41 123.259 123.259 119.580 3.679 18732 5675 1 18 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.432 0.116 18732 5676 1 18 . 1 1 41 41 ARG CA C 41 52.623 52.623 55.104 -2.481 18732 5677 1 18 . 1 1 41 41 ARG CB C 41 31.417 31.417 32.350 -0.933 18732 5678 1 18 . 1 1 42 42 LYS N N 42 124.798 124.798 119.251 5.547 18732 5679 1 18 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.584 0.104 18732 5680 1 18 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.471 -0.699 18732 5681 1 18 . 1 1 42 42 LYS CB C 42 31.787 31.787 34.712 -2.925 18732 5682 1 18 . 1 1 43 43 ARG N N 43 124.461 124.461 119.367 5.094 18732 5683 1 18 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.618 0.031 18732 5684 1 18 . 1 1 43 43 ARG CA C 43 52.179 52.179 54.283 -2.104 18732 5685 1 18 . 1 1 43 43 ARG CB C 43 30.149 30.149 31.994 -1.845 18732 5686 1 18 . 1 1 44 44 LYS N N 44 121.297 121.297 120.672 0.625 18732 5687 1 18 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.117 -0.094 18732 5688 1 18 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.501 -1.865 18732 5689 1 18 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.435 -2.323 18732 5690 1 18 . 1 1 45 45 ASP N N 45 115.145 115.145 112.675 2.470 18732 5691 1 18 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.342 0.408 18732 5692 1 18 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.372 -2.272 18732 5693 1 18 . 1 1 45 45 ASP CB C 45 38.693 38.693 39.522 -0.829 18732 5694 1 18 . 1 1 46 46 GLU N N 46 118.274 118.274 117.619 0.655 18732 5695 1 18 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.342 0.125 18732 5696 1 18 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.950 -2.228 18732 5697 1 18 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.396 -3.326 18732 5698 1 18 . 1 1 47 47 ALA N N 47 127.506 127.506 121.944 5.562 18732 5699 1 18 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.771 -0.077 18732 5700 1 18 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.510 -2.402 18732 5701 1 18 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.109 -3.267 18732 5702 1 18 . 1 1 48 48 VAL N N 48 118.088 118.088 114.861 3.227 18732 5703 1 18 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.954 0.391 18732 5704 1 18 . 1 1 48 48 VAL CA C 48 57.625 57.625 60.156 -2.531 18732 5705 1 18 . 1 1 48 48 VAL CB C 48 33.496 33.496 34.476 -0.980 18732 5706 1 18 . 1 1 49 49 LYS N N 49 124.725 124.725 125.722 -0.997 18732 5707 1 18 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.620 0.737 18732 5708 1 18 . 1 1 49 49 LYS CA C 49 52.039 52.039 54.878 -2.839 18732 5709 1 18 . 1 1 50 50 GLN N N 50 121.028 121.028 122.900 -1.872 18732 5710 1 18 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.439 0.547 18732 5711 1 18 . 1 1 50 50 GLN CA C 50 52.113 52.113 55.874 -3.761 18732 5712 1 18 . 1 1 50 50 GLN CB C 50 23.684 23.684 30.170 -6.486 18732 5713 1 18 . 1 1 51 51 TYR N N 51 124.549 124.549 115.710 8.839 18732 5714 1 18 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.802 0.416 18732 5715 1 18 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.529 -2.978 18732 5716 1 18 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.571 -2.291 18732 5717 1 18 . 1 1 52 52 HIS N N 52 121.301 121.301 119.643 1.658 18732 5718 1 18 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.202 0.017 18732 5719 1 18 . 1 1 52 52 HIS CA C 52 51.708 51.708 53.817 -2.109 18732 5720 1 18 . 1 1 52 52 HIS CB C 52 28.907 28.907 32.860 -3.953 18732 5721 1 18 . 1 1 53 53 LEU N N 53 127.743 127.743 123.653 4.090 18732 5722 1 18 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.910 0.298 18732 5723 1 18 . 1 1 53 53 LEU CA C 53 50.887 50.887 54.121 -3.234 18732 5724 1 18 . 1 1 53 53 LEU CB C 53 42.084 42.084 46.507 -4.423 18732 5725 1 18 . 1 1 54 54 THR N N 54 117.996 117.996 113.910 4.086 18732 5726 1 18 . 1 1 54 54 THR HA H 54 4.600 4.600 4.219 0.381 18732 5727 1 18 . 1 1 54 54 THR CA C 54 59.774 59.774 60.553 -0.779 18732 5728 1 18 . 1 1 54 54 THR CB C 54 67.153 67.153 70.102 -2.949 18732 5729 1 18 . 1 1 55 55 LEU N N 55 129.329 129.329 122.836 6.493 18732 5730 1 18 . 1 1 55 55 LEU HA H 55 5.074 5.074 5.074 -0.000 18732 5731 1 18 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.377 -2.607 18732 5732 1 18 . 1 1 55 55 LEU CB C 55 42.090 42.090 45.924 -3.834 18732 5733 1 18 . 1 1 56 56 ARG N N 56 117.231 117.231 121.083 -3.852 18732 5734 1 18 . 1 1 56 56 ARG HA H 56 5.357 5.357 5.133 0.224 18732 5735 1 18 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.917 -3.042 18732 5736 1 18 . 1 1 56 56 ARG CB C 56 31.945 31.945 33.919 -1.974 18732 5737 1 18 . 1 1 57 57 GLU N N 57 128.411 128.411 128.685 -0.274 18732 5738 1 18 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.828 -0.137 18732 5739 1 18 . 1 1 57 57 GLU CA C 57 52.864 52.864 54.980 -2.116 18732 5740 1 18 . 1 1 57 57 GLU CB C 57 29.942 29.942 32.029 -2.087 18732 5741 1 18 . 1 1 58 58 GLY N N 58 118.265 118.265 116.319 1.946 18732 5742 1 18 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.109 -2.166 18732 5743 1 18 . 1 1 59 59 SER N N 59 122.061 122.061 118.818 3.243 18732 5744 1 18 . 1 1 59 59 SER HA H 59 4.567 4.567 4.606 -0.039 18732 5745 1 18 . 1 1 59 59 SER CA C 59 55.730 55.730 58.538 -2.808 18732 5746 1 18 . 1 1 59 59 SER CB C 59 61.262 61.262 63.348 -2.086 18732 5747 1 18 . 1 1 60 60 LYS N N 60 124.154 124.154 121.862 2.292 18732 5748 1 18 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.661 -0.041 18732 5749 1 18 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.566 -2.122 18732 5750 1 18 . 1 1 60 60 LYS CB C 60 32.144 32.144 35.804 -3.660 18732 5751 1 18 . 1 1 61 61 GLU N N 61 125.701 125.701 124.267 1.434 18732 5752 1 18 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.456 0.058 18732 5753 1 18 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.002 -2.897 18732 5754 1 18 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.824 -3.284 18732 5755 1 18 . 1 1 62 62 PHE N N 62 121.360 121.360 121.159 0.201 18732 5756 1 18 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.876 0.170 18732 5757 1 18 . 1 1 62 62 PHE CA C 62 53.363 53.363 56.006 -2.643 18732 5758 1 18 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.226 -3.427 18732 5759 1 18 . 1 1 63 63 GLY N N 63 107.546 107.546 109.439 -1.893 18732 5760 1 18 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.943 -2.311 18732 5761 1 18 . 1 1 64 64 VAL N N 64 115.031 115.031 117.790 -2.759 18732 5762 1 18 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.949 0.071 18732 5763 1 18 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.544 -2.514 18732 5764 1 18 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.339 -1.187 18732 5765 1 18 . 1 1 65 65 PHE N N 65 122.208 122.208 119.338 2.870 18732 5766 1 18 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.690 -0.058 18732 5767 1 18 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.578 -2.578 18732 5768 1 18 . 1 1 65 65 PHE CB C 65 39.295 39.295 42.475 -3.180 18732 5769 1 18 . 1 1 66 66 VAL N N 66 123.832 123.832 117.391 6.441 18732 5770 1 18 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.504 0.653 18732 5771 1 18 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.483 -2.849 18732 5772 1 18 . 1 1 66 66 VAL CB C 66 32.312 32.312 35.801 -3.489 18732 5773 1 18 . 1 1 67 67 THR N N 67 125.293 125.293 121.313 3.980 18732 5774 1 18 . 1 1 67 67 THR CA C 67 57.150 57.150 61.730 -4.580 18732 5775 1 18 . 1 1 67 67 THR CB C 67 67.050 67.050 70.207 -3.157 18732 5776 1 18 . 1 1 68 68 ILE N N 68 128.624 128.624 127.287 1.337 18732 5777 1 18 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.787 0.076 18732 5778 1 18 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.500 -2.267 18732 5779 1 18 . 1 1 68 68 ILE CB C 68 39.314 39.314 41.663 -2.349 18732 5780 1 18 . 1 1 69 69 SER N N 69 122.023 122.023 120.670 1.353 18732 5781 1 18 . 1 1 69 69 SER HA H 69 5.804 5.804 5.527 0.277 18732 5782 1 18 . 1 1 69 69 SER CA C 69 53.530 53.530 56.776 -3.246 18732 5783 1 18 . 1 1 69 69 SER CB C 69 61.921 61.921 66.106 -4.185 18732 5784 1 18 . 1 1 70 70 PHE N N 70 123.800 123.800 119.153 4.647 18732 5785 1 18 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.371 0.006 18732 5786 1 18 . 1 1 70 70 PHE CA C 70 53.143 53.143 56.167 -3.024 18732 5787 1 18 . 1 1 70 70 PHE CB C 70 40.368 40.368 40.747 -0.379 18732 5788 1 18 . 1 1 71 71 ASP N N 71 121.547 121.547 120.347 1.200 18732 5789 1 18 . 1 1 71 71 ASP HA H 71 5.099 5.099 4.883 0.216 18732 5790 1 18 . 1 1 71 71 ASP CA C 71 48.222 48.222 51.536 -3.314 18732 5791 1 18 . 1 1 71 71 ASP CB C 71 40.845 40.845 42.150 -1.305 18732 5792 1 18 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.397 -0.032 18732 5793 1 18 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.451 -2.852 18732 5794 1 18 . 1 1 72 72 PRO CB C 72 29.666 29.666 31.729 -2.063 18732 5795 1 18 . 1 1 73 73 TYR N N 73 118.085 118.085 120.280 -2.195 18732 5796 1 18 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.380 0.246 18732 5797 1 18 . 1 1 73 73 TYR CA C 73 57.330 57.330 59.969 -2.639 18732 5798 1 18 . 1 1 73 73 TYR CB C 73 35.580 35.580 37.659 -2.079 18732 5799 1 18 . 1 1 74 74 SER N N 74 113.942 113.942 111.663 2.279 18732 5800 1 18 . 1 1 74 74 SER HA H 74 4.506 4.506 4.676 -0.170 18732 5801 1 18 . 1 1 74 74 SER CA C 74 56.253 56.253 58.029 -1.776 18732 5802 1 18 . 1 1 74 74 SER CB C 74 62.670 62.670 63.844 -1.174 18732 5803 1 18 . 1 1 75 75 GLN N N 75 115.717 115.717 118.731 -3.014 18732 5804 1 18 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.521 -0.277 18732 5805 1 18 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.051 -1.479 18732 5806 1 18 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.598 -2.974 18732 5807 1 18 . 1 1 76 76 LYS N N 76 119.205 119.205 120.029 -0.824 18732 5808 1 18 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.317 0.127 18732 5809 1 18 . 1 1 76 76 LYS CA C 76 54.013 54.013 56.565 -2.552 18732 5810 1 18 . 1 1 76 76 LYS CB C 76 31.375 31.375 32.864 -1.489 18732 5811 1 18 . 1 1 77 77 VAL N N 77 125.587 125.587 127.741 -2.154 18732 5812 1 18 . 1 1 77 77 VAL HA H 77 4.004 4.004 3.878 0.126 18732 5813 1 18 . 1 1 77 77 VAL CA C 77 61.558 61.558 63.774 -2.216 18732 5814 1 18 . 1 1 77 77 VAL CB C 77 30.401 30.401 31.421 -1.020 18732 5815 1 18 . 1 1 78 78 ASN N N 78 126.604 126.604 127.345 -0.741 18732 5816 1 18 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.742 0.208 18732 5817 1 18 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.090 -2.513 18732 5818 1 18 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.479 -2.118 18732 5819 1 18 . 1 1 79 79 LYS N N 79 118.463 118.463 118.283 0.180 18732 5820 1 18 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.687 -0.069 18732 5821 1 18 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.854 -2.282 18732 5822 1 18 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.900 -3.371 18732 5823 1 18 . 1 1 80 80 ILE N N 80 123.294 123.294 120.661 2.633 18732 5824 1 18 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.106 -0.035 18732 5825 1 18 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.753 -2.057 18732 5826 1 18 . 1 1 80 80 ILE CB C 80 38.260 38.260 40.565 -2.305 18732 5827 1 18 . 1 1 81 81 ALA N N 81 130.466 130.466 128.627 1.839 18732 5828 1 18 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.829 0.207 18732 5829 1 18 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.238 -3.016 18732 5830 1 18 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.237 -2.163 18732 5831 1 18 . 1 1 82 82 ILE N N 82 122.249 122.249 118.048 4.201 18732 5832 1 18 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.537 0.705 18732 5833 1 18 . 1 1 82 82 ILE CA C 82 57.675 57.675 60.209 -2.534 18732 5834 1 18 . 1 1 82 82 ILE CB C 82 37.792 37.792 40.748 -2.957 18732 5835 1 18 . 1 1 83 83 LEU N N 83 129.605 129.605 123.062 6.543 18732 5836 1 18 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.929 0.025 18732 5837 1 18 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.905 -2.573 18732 5838 1 18 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.683 -3.208 18732 5839 1 18 . 1 1 84 84 GLU N N 84 125.594 125.594 118.881 6.713 18732 5840 1 18 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.916 -0.204 18732 5841 1 18 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.491 -1.101 18732 5842 1 18 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.554 -5.432 18732 5843 1 18 . 1 1 85 85 GLU N N 85 123.904 123.904 124.021 -0.117 18732 5844 1 18 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.646 -0.217 18732 5845 1 18 . 1 1 85 85 GLU CA C 85 53.896 53.896 55.882 -1.986 18732 5846 1 18 . 1 1 85 85 GLU CB C 85 28.642 28.642 31.273 -2.631 18732 5847 1 18 . 1 1 86 86 TYR N N 86 123.323 123.323 121.092 2.231 18732 5848 1 18 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.969 -0.248 18732 5849 1 18 . 1 1 86 86 TYR CA C 86 53.909 53.909 56.783 -2.874 18732 5850 1 18 . 1 1 86 86 TYR CB C 86 36.596 36.596 40.256 -3.660 18732 5851 1 19 . 1 1 2 2 GLU N N 2 120.598 120.598 124.375 -3.777 18732 5852 1 19 . 1 1 2 2 GLU CA C 2 53.965 53.965 56.519 -2.554 18732 5853 1 19 . 1 1 2 2 GLU CB C 2 27.978 27.978 29.306 -1.328 18732 5854 1 19 . 1 1 3 3 GLU N N 3 120.984 120.984 122.171 -1.187 18732 5855 1 19 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.325 -0.127 18732 5856 1 19 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.240 2.795 18732 5857 1 19 . 1 1 3 3 GLU CB C 3 30.268 30.268 31.135 -0.867 18732 5858 1 19 . 1 1 4 4 THR N N 4 117.936 117.936 107.729 10.207 18732 5859 1 19 . 1 1 4 4 THR HA H 4 4.665 4.665 4.546 0.119 18732 5860 1 19 . 1 1 4 4 THR CA C 4 57.307 57.307 58.971 -1.664 18732 5861 1 19 . 1 1 4 4 THR CB C 4 67.215 67.215 70.439 -3.224 18732 5862 1 19 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.837 -3.097 18732 5863 1 19 . 1 1 5 5 PRO CB C 5 29.700 29.700 31.867 -2.167 18732 5864 1 19 . 1 1 6 6 LEU N N 6 122.097 122.097 122.363 -0.266 18732 5865 1 19 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.617 -0.236 18732 5866 1 19 . 1 1 6 6 LEU CA C 6 53.015 53.015 53.920 -0.905 18732 5867 1 19 . 1 1 6 6 LEU CB C 6 40.054 40.054 40.801 -0.747 18732 5868 1 19 . 1 1 8 8 THR N N 8 116.987 116.987 113.117 3.870 18732 5869 1 19 . 1 1 8 8 THR HA H 8 4.348 4.348 4.333 0.015 18732 5870 1 19 . 1 1 8 8 THR CA C 8 59.340 59.340 61.092 -1.752 18732 5871 1 19 . 1 1 8 8 THR CB C 8 67.234 67.234 68.768 -1.534 18732 5872 1 19 . 1 1 9 9 ALA N N 9 125.944 125.944 125.402 0.542 18732 5873 1 19 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.450 -0.076 18732 5874 1 19 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.416 -2.406 18732 5875 1 19 . 1 1 9 9 ALA CB C 9 16.807 16.807 19.441 -2.634 18732 5876 1 19 . 1 1 10 10 ARG N N 10 119.637 119.637 122.269 -2.632 18732 5877 1 19 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.552 -0.229 18732 5878 1 19 . 1 1 10 10 ARG CA C 10 53.532 53.532 54.429 -0.897 18732 5879 1 19 . 1 1 10 10 ARG CB C 10 28.492 28.492 31.414 -2.922 18732 5880 1 19 . 1 1 11 11 HIS N N 11 119.667 119.667 119.117 0.550 18732 5881 1 19 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.289 0.428 18732 5882 1 19 . 1 1 11 11 HIS CA C 11 52.790 52.790 55.537 -2.747 18732 5883 1 19 . 1 1 11 11 HIS CB C 11 27.033 27.033 29.313 -2.280 18732 5884 1 19 . 1 1 12 12 MET N N 12 122.280 122.280 121.047 1.233 18732 5885 1 19 . 1 1 12 12 MET HA H 12 4.543 4.543 4.509 0.034 18732 5886 1 19 . 1 1 12 12 MET CA C 12 53.058 53.058 55.647 -2.589 18732 5887 1 19 . 1 1 12 12 MET CB C 12 29.647 29.647 33.511 -3.864 18732 5888 1 19 . 1 1 13 13 SER N N 13 118.363 118.363 116.128 2.235 18732 5889 1 19 . 1 1 13 13 SER HA H 13 4.515 4.515 4.382 0.133 18732 5890 1 19 . 1 1 13 13 SER CA C 13 55.083 55.083 58.373 -3.289 18732 5891 1 19 . 1 1 13 13 SER CB C 13 62.243 62.243 64.308 -2.065 18732 5892 1 19 . 1 1 14 14 LYS N N 14 123.039 123.039 123.750 -0.711 18732 5893 1 19 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.944 -0.018 18732 5894 1 19 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.725 -2.845 18732 5895 1 19 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.996 -2.501 18732 5896 1 19 . 1 1 15 15 TRP N N 15 118.585 118.585 117.061 1.524 18732 5897 1 19 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.819 -0.440 18732 5898 1 19 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.496 -0.927 18732 5899 1 19 . 1 1 15 15 TRP CB C 15 27.426 27.426 29.358 -1.932 18732 5900 1 19 . 1 1 16 16 GLU N N 16 119.418 119.418 121.306 -1.888 18732 5901 1 19 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.545 -0.569 18732 5902 1 19 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.111 -3.571 18732 5903 1 19 . 1 1 16 16 GLU CB C 16 27.787 27.787 29.317 -1.530 18732 5904 1 19 . 1 1 17 17 GLU N N 17 117.377 117.377 117.956 -0.579 18732 5905 1 19 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.009 -0.099 18732 5906 1 19 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.383 -2.485 18732 5907 1 19 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.570 -2.717 18732 5908 1 19 . 1 1 18 18 ILE N N 18 119.807 119.807 119.587 0.220 18732 5909 1 19 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.702 -0.034 18732 5910 1 19 . 1 1 18 18 ILE CA C 18 62.745 62.745 64.973 -2.228 18732 5911 1 19 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.553 -1.890 18732 5912 1 19 . 1 1 19 19 ALA N N 19 121.744 121.744 122.704 -0.960 18732 5913 1 19 . 1 1 19 19 ALA HA H 19 3.955 3.955 3.893 0.062 18732 5914 1 19 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.198 -1.755 18732 5915 1 19 . 1 1 19 19 ALA CB C 19 15.274 15.274 17.889 -2.615 18732 5916 1 19 . 1 1 20 20 VAL N N 20 115.918 115.918 118.157 -2.239 18732 5917 1 19 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.551 -0.152 18732 5918 1 19 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.342 -2.013 18732 5919 1 19 . 1 1 20 20 VAL CB C 20 29.404 29.404 30.967 -1.563 18732 5920 1 19 . 1 1 21 21 LYS N N 21 119.785 119.785 119.861 -0.076 18732 5921 1 19 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.904 0.017 18732 5922 1 19 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.270 -2.828 18732 5923 1 19 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.202 1.310 18732 5924 1 19 . 1 1 22 22 GLU N N 22 118.955 118.955 118.802 0.153 18732 5925 1 19 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.071 -0.002 18732 5926 1 19 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.078 -2.817 18732 5927 1 19 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.335 -3.240 18732 5928 1 19 . 1 1 23 23 ALA N N 23 122.253 122.253 118.549 3.704 18732 5929 1 19 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.381 -0.280 18732 5930 1 19 . 1 1 23 23 ALA CA C 23 53.226 53.226 53.981 -0.755 18732 5931 1 19 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.586 -3.077 18732 5932 1 19 . 1 1 24 24 LYS N N 24 116.889 116.889 115.028 1.861 18732 5933 1 19 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.423 -0.404 18732 5934 1 19 . 1 1 24 24 LYS CA C 24 55.745 55.745 57.895 -2.151 18732 5935 1 19 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.544 -4.359 18732 5936 1 19 . 1 1 25 25 LYS N N 25 117.772 117.772 121.080 -3.308 18732 5937 1 19 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.243 -0.220 18732 5938 1 19 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.616 -2.276 18732 5939 1 19 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.094 -1.892 18732 5940 1 19 . 1 1 26 26 ARG N N 26 117.176 117.176 119.216 -2.040 18732 5941 1 19 . 1 1 26 26 ARG HA H 26 4.057 4.057 3.997 0.060 18732 5942 1 19 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.352 -3.361 18732 5943 1 19 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.406 -2.372 18732 5944 1 19 . 1 1 27 27 TYR N N 27 117.344 117.344 117.561 -0.217 18732 5945 1 19 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.903 0.179 18732 5946 1 19 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.199 -2.641 18732 5947 1 19 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.497 -2.510 18732 5948 1 19 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.378 0.371 18732 5949 1 19 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.747 -2.354 18732 5950 1 19 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.123 -2.268 18732 5951 1 19 . 1 1 29 29 LEU N N 29 117.758 117.758 117.052 0.706 18732 5952 1 19 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.633 -0.044 18732 5953 1 19 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.172 -2.598 18732 5954 1 19 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.502 -2.612 18732 5955 1 19 . 1 1 30 30 ALA N N 30 122.493 122.493 119.009 3.484 18732 5956 1 19 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.903 -0.052 18732 5957 1 19 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.858 -2.003 18732 5958 1 19 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.245 -2.577 18732 5959 1 19 . 1 1 31 31 GLN N N 31 118.936 118.936 116.340 2.596 18732 5960 1 19 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.730 -0.091 18732 5961 1 19 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.266 -2.995 18732 5962 1 19 . 1 1 31 31 GLN CB C 31 28.843 28.843 33.235 -4.392 18732 5963 1 19 . 1 1 32 32 VAL N N 32 123.815 123.815 120.757 3.058 18732 5964 1 19 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.439 0.226 18732 5965 1 19 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.458 -1.193 18732 5966 1 19 . 1 1 32 32 VAL CB C 32 28.878 28.878 33.239 -4.361 18732 5967 1 19 . 1 1 33 33 LEU N N 33 128.709 128.709 128.600 0.109 18732 5968 1 19 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.655 -0.413 18732 5969 1 19 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.500 -1.117 18732 5970 1 19 . 1 1 33 33 LEU CB C 33 41.123 41.123 43.158 -2.035 18732 5971 1 19 . 1 1 34 34 PHE N N 34 114.779 114.779 117.944 -3.165 18732 5972 1 19 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.629 -0.723 18732 5973 1 19 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.408 -3.493 18732 5974 1 19 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.473 -2.820 18732 5975 1 19 . 1 1 35 35 LYS N N 35 120.077 120.077 120.501 -0.424 18732 5976 1 19 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.608 0.630 18732 5977 1 19 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.687 -3.390 18732 5978 1 19 . 1 1 35 35 LYS CB C 35 32.998 32.998 32.262 0.736 18732 5979 1 19 . 1 1 36 36 GLN N N 36 119.491 119.491 120.227 -0.736 18732 5980 1 19 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.731 0.505 18732 5981 1 19 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.865 -2.668 18732 5982 1 19 . 1 1 36 36 GLN CB C 36 30.609 30.609 30.930 -0.321 18732 5983 1 19 . 1 1 37 37 LYS N N 37 128.471 128.471 123.052 5.419 18732 5984 1 19 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.368 0.427 18732 5985 1 19 . 1 1 37 37 LYS CA C 37 54.661 54.661 56.316 -1.655 18732 5986 1 19 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.846 -2.573 18732 5987 1 19 . 1 1 38 38 VAL N N 38 125.112 125.112 119.242 5.870 18732 5988 1 19 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.189 0.148 18732 5989 1 19 . 1 1 38 38 VAL CA C 38 60.252 60.252 62.253 -2.001 18732 5990 1 19 . 1 1 38 38 VAL CB C 38 30.720 30.720 32.775 -2.055 18732 5991 1 19 . 1 1 39 39 TRP N N 39 123.085 123.085 130.562 -7.477 18732 5992 1 19 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.716 0.133 18732 5993 1 19 . 1 1 39 39 TRP CA C 39 54.206 54.206 57.702 -3.496 18732 5994 1 19 . 1 1 39 39 TRP CB C 39 30.461 30.461 30.829 -0.368 18732 5995 1 19 . 1 1 40 40 ASP N N 40 123.000 123.000 125.025 -2.025 18732 5996 1 19 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.761 0.367 18732 5997 1 19 . 1 1 40 40 ASP CA C 40 51.105 51.105 54.684 -3.579 18732 5998 1 19 . 1 1 40 40 ASP CB C 40 41.077 41.077 41.032 0.045 18732 5999 1 19 . 1 1 41 41 ARG N N 41 123.259 123.259 119.612 3.647 18732 6000 1 19 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.508 0.040 18732 6001 1 19 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.805 -2.182 18732 6002 1 19 . 1 1 41 41 ARG CB C 41 31.417 31.417 32.349 -0.932 18732 6003 1 19 . 1 1 42 42 LYS N N 42 124.798 124.798 119.623 5.175 18732 6004 1 19 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.625 0.063 18732 6005 1 19 . 1 1 42 42 LYS CA C 42 53.773 53.773 55.205 -1.432 18732 6006 1 19 . 1 1 42 42 LYS CB C 42 31.787 31.787 34.808 -3.021 18732 6007 1 19 . 1 1 43 43 ARG N N 43 124.461 124.461 120.752 3.709 18732 6008 1 19 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.418 0.231 18732 6009 1 19 . 1 1 43 43 ARG CA C 43 52.179 52.179 56.343 -4.164 18732 6010 1 19 . 1 1 43 43 ARG CB C 43 30.149 30.149 30.807 -0.658 18732 6011 1 19 . 1 1 44 44 LYS N N 44 121.297 121.297 119.111 2.186 18732 6012 1 19 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.137 -0.114 18732 6013 1 19 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.225 -1.589 18732 6014 1 19 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.764 -2.651 18732 6015 1 19 . 1 1 45 45 ASP N N 45 115.145 115.145 117.955 -2.810 18732 6016 1 19 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.897 -0.147 18732 6017 1 19 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.837 -2.737 18732 6018 1 19 . 1 1 45 45 ASP CB C 45 38.693 38.693 40.417 -1.724 18732 6019 1 19 . 1 1 46 46 GLU N N 46 118.274 118.274 117.970 0.304 18732 6020 1 19 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.521 -0.054 18732 6021 1 19 . 1 1 46 46 GLU CA C 46 53.722 53.722 56.281 -2.559 18732 6022 1 19 . 1 1 46 46 GLU CB C 46 30.070 30.070 32.539 -2.469 18732 6023 1 19 . 1 1 47 47 ALA N N 47 127.506 127.506 120.760 6.746 18732 6024 1 19 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.797 -0.103 18732 6025 1 19 . 1 1 47 47 ALA CA C 47 48.108 48.108 51.492 -3.385 18732 6026 1 19 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.481 -3.639 18732 6027 1 19 . 1 1 48 48 VAL N N 48 118.088 118.088 119.212 -1.124 18732 6028 1 19 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.468 0.877 18732 6029 1 19 . 1 1 48 48 VAL CA C 48 57.625 57.625 61.485 -3.860 18732 6030 1 19 . 1 1 48 48 VAL CB C 48 33.496 33.496 32.513 0.983 18732 6031 1 19 . 1 1 49 49 LYS N N 49 124.725 124.725 126.499 -1.774 18732 6032 1 19 . 1 1 49 49 LYS HA H 49 5.357 5.357 3.760 1.597 18732 6033 1 19 . 1 1 49 49 LYS CA C 49 52.039 52.039 56.027 -3.988 18732 6034 1 19 . 1 1 50 50 GLN N N 50 121.028 121.028 121.658 -0.630 18732 6035 1 19 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.939 0.047 18732 6036 1 19 . 1 1 50 50 GLN CA C 50 52.113 52.113 54.118 -2.005 18732 6037 1 19 . 1 1 50 50 GLN CB C 50 23.684 23.684 32.812 -9.128 18732 6038 1 19 . 1 1 51 51 TYR N N 51 124.549 124.549 115.533 9.016 18732 6039 1 19 . 1 1 51 51 TYR HA H 51 5.218 5.218 5.001 0.217 18732 6040 1 19 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.213 -2.663 18732 6041 1 19 . 1 1 51 51 TYR CB C 51 40.280 40.280 43.073 -2.793 18732 6042 1 19 . 1 1 52 52 HIS N N 52 121.301 121.301 121.231 0.070 18732 6043 1 19 . 1 1 52 52 HIS HA H 52 5.219 5.219 4.911 0.308 18732 6044 1 19 . 1 1 52 52 HIS CA C 52 51.708 51.708 54.627 -2.919 18732 6045 1 19 . 1 1 52 52 HIS CB C 52 28.907 28.907 31.581 -2.674 18732 6046 1 19 . 1 1 53 53 LEU N N 53 127.743 127.743 128.188 -0.445 18732 6047 1 19 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.637 0.571 18732 6048 1 19 . 1 1 53 53 LEU CA C 53 50.887 50.887 52.655 -1.768 18732 6049 1 19 . 1 1 53 53 LEU CB C 53 42.084 42.084 41.741 0.343 18732 6050 1 19 . 1 1 54 54 THR N N 54 117.996 117.996 120.152 -2.156 18732 6051 1 19 . 1 1 54 54 THR HA H 54 4.600 4.600 3.692 0.908 18732 6052 1 19 . 1 1 54 54 THR CA C 54 59.774 59.774 64.098 -4.324 18732 6053 1 19 . 1 1 54 54 THR CB C 54 67.153 67.153 68.778 -1.625 18732 6054 1 19 . 1 1 55 55 LEU N N 55 129.329 129.329 127.282 2.047 18732 6055 1 19 . 1 1 55 55 LEU HA H 55 5.074 5.074 5.132 -0.058 18732 6056 1 19 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.385 -2.616 18732 6057 1 19 . 1 1 55 55 LEU CB C 55 42.090 42.090 44.572 -2.482 18732 6058 1 19 . 1 1 56 56 ARG N N 56 117.231 117.231 120.285 -3.054 18732 6059 1 19 . 1 1 56 56 ARG HA H 56 5.357 5.357 5.185 0.172 18732 6060 1 19 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.658 -2.783 18732 6061 1 19 . 1 1 56 56 ARG CB C 56 31.945 31.945 34.233 -2.288 18732 6062 1 19 . 1 1 57 57 GLU N N 57 128.411 128.411 127.726 0.685 18732 6063 1 19 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.851 -0.160 18732 6064 1 19 . 1 1 57 57 GLU CA C 57 52.864 52.864 54.977 -2.113 18732 6065 1 19 . 1 1 57 57 GLU CB C 57 29.942 29.942 32.179 -2.237 18732 6066 1 19 . 1 1 58 58 GLY N N 58 118.265 118.265 116.900 1.365 18732 6067 1 19 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.170 -2.227 18732 6068 1 19 . 1 1 59 59 SER N N 59 122.061 122.061 119.119 2.942 18732 6069 1 19 . 1 1 59 59 SER HA H 59 4.567 4.567 4.499 0.068 18732 6070 1 19 . 1 1 59 59 SER CA C 59 55.730 55.730 58.144 -2.413 18732 6071 1 19 . 1 1 59 59 SER CB C 59 61.262 61.262 64.400 -3.138 18732 6072 1 19 . 1 1 60 60 LYS N N 60 124.154 124.154 123.830 0.324 18732 6073 1 19 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.498 0.122 18732 6074 1 19 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.762 -2.318 18732 6075 1 19 . 1 1 60 60 LYS CB C 60 32.144 32.144 34.303 -2.159 18732 6076 1 19 . 1 1 61 61 GLU N N 61 125.701 125.701 123.806 1.895 18732 6077 1 19 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.323 0.191 18732 6078 1 19 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.324 -3.218 18732 6079 1 19 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.189 -2.649 18732 6080 1 19 . 1 1 62 62 PHE N N 62 121.360 121.360 120.266 1.094 18732 6081 1 19 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.785 0.261 18732 6082 1 19 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.771 -2.408 18732 6083 1 19 . 1 1 62 62 PHE CB C 62 37.799 37.799 40.662 -2.863 18732 6084 1 19 . 1 1 63 63 GLY N N 63 107.546 107.546 112.908 -5.362 18732 6085 1 19 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.801 -2.169 18732 6086 1 19 . 1 1 64 64 VAL N N 64 115.031 115.031 120.208 -5.177 18732 6087 1 19 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.391 0.629 18732 6088 1 19 . 1 1 64 64 VAL CA C 64 57.030 57.030 60.821 -3.791 18732 6089 1 19 . 1 1 64 64 VAL CB C 64 34.152 34.152 32.629 1.523 18732 6090 1 19 . 1 1 65 65 PHE N N 65 122.208 122.208 115.806 6.402 18732 6091 1 19 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.298 0.334 18732 6092 1 19 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.752 -2.752 18732 6093 1 19 . 1 1 65 65 PHE CB C 65 39.295 39.295 43.215 -3.920 18732 6094 1 19 . 1 1 66 66 VAL N N 66 123.832 123.832 119.910 3.922 18732 6095 1 19 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.485 0.672 18732 6096 1 19 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.824 -3.190 18732 6097 1 19 . 1 1 66 66 VAL CB C 66 32.312 32.312 33.409 -1.097 18732 6098 1 19 . 1 1 67 67 THR N N 67 125.293 125.293 124.840 0.453 18732 6099 1 19 . 1 1 67 67 THR CA C 67 57.150 57.150 62.729 -5.579 18732 6100 1 19 . 1 1 67 67 THR CB C 67 67.050 67.050 68.411 -1.361 18732 6101 1 19 . 1 1 68 68 ILE N N 68 128.624 128.624 129.833 -1.209 18732 6102 1 19 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.205 0.658 18732 6103 1 19 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.451 -2.218 18732 6104 1 19 . 1 1 68 68 ILE CB C 68 39.314 39.314 37.791 1.524 18732 6105 1 19 . 1 1 69 69 SER N N 69 122.023 122.023 123.400 -1.377 18732 6106 1 19 . 1 1 69 69 SER HA H 69 5.804 5.804 4.892 0.912 18732 6107 1 19 . 1 1 69 69 SER CA C 69 53.530 53.530 59.184 -5.654 18732 6108 1 19 . 1 1 69 69 SER CB C 69 61.921 61.921 63.639 -1.718 18732 6109 1 19 . 1 1 70 70 PHE N N 70 123.800 123.800 122.694 1.106 18732 6110 1 19 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.444 -0.067 18732 6111 1 19 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.514 -2.370 18732 6112 1 19 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.562 -1.194 18732 6113 1 19 . 1 1 71 71 ASP N N 71 121.547 121.547 119.812 1.735 18732 6114 1 19 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.089 0.010 18732 6115 1 19 . 1 1 71 71 ASP CA C 71 48.222 48.222 51.032 -2.810 18732 6116 1 19 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.202 -3.357 18732 6117 1 19 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.514 -0.149 18732 6118 1 19 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.458 -2.859 18732 6119 1 19 . 1 1 72 72 PRO CB C 72 29.666 29.666 31.803 -2.137 18732 6120 1 19 . 1 1 73 73 TYR N N 73 118.085 118.085 117.511 0.574 18732 6121 1 19 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.375 0.251 18732 6122 1 19 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.427 -3.097 18732 6123 1 19 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.495 -2.915 18732 6124 1 19 . 1 1 74 74 SER N N 74 113.942 113.942 110.376 3.566 18732 6125 1 19 . 1 1 74 74 SER HA H 74 4.506 4.506 4.650 -0.144 18732 6126 1 19 . 1 1 74 74 SER CA C 74 56.253 56.253 58.438 -2.185 18732 6127 1 19 . 1 1 74 74 SER CB C 74 62.670 62.670 65.321 -2.651 18732 6128 1 19 . 1 1 75 75 GLN N N 75 115.717 115.717 118.315 -2.598 18732 6129 1 19 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.678 -0.434 18732 6130 1 19 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.579 -2.007 18732 6131 1 19 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.869 -3.246 18732 6132 1 19 . 1 1 76 76 LYS N N 76 119.205 119.205 120.985 -1.780 18732 6133 1 19 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.689 -0.245 18732 6134 1 19 . 1 1 76 76 LYS CA C 76 54.013 54.013 54.631 -0.618 18732 6135 1 19 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.548 -2.173 18732 6136 1 19 . 1 1 77 77 VAL N N 77 125.587 125.587 126.799 -1.212 18732 6137 1 19 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.150 -0.146 18732 6138 1 19 . 1 1 77 77 VAL CA C 77 61.558 61.558 62.320 -0.762 18732 6139 1 19 . 1 1 77 77 VAL CB C 77 30.401 30.401 32.903 -2.502 18732 6140 1 19 . 1 1 78 78 ASN N N 78 126.604 126.604 128.348 -1.744 18732 6141 1 19 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.815 0.135 18732 6142 1 19 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.812 -3.235 18732 6143 1 19 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.580 -2.219 18732 6144 1 19 . 1 1 79 79 LYS N N 79 118.463 118.463 118.714 -0.251 18732 6145 1 19 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.682 -0.064 18732 6146 1 19 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.435 -1.863 18732 6147 1 19 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.795 -3.266 18732 6148 1 19 . 1 1 80 80 ILE N N 80 123.294 123.294 119.872 3.422 18732 6149 1 19 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.210 -0.139 18732 6150 1 19 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.366 -1.670 18732 6151 1 19 . 1 1 80 80 ILE CB C 80 38.260 38.260 39.975 -1.715 18732 6152 1 19 . 1 1 81 81 ALA N N 81 130.466 130.466 127.164 3.302 18732 6153 1 19 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.742 0.294 18732 6154 1 19 . 1 1 81 81 ALA CA C 81 48.222 48.222 50.766 -2.543 18732 6155 1 19 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.733 -2.659 18732 6156 1 19 . 1 1 82 82 ILE N N 82 122.249 122.249 119.516 2.733 18732 6157 1 19 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.411 0.831 18732 6158 1 19 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.968 -2.293 18732 6159 1 19 . 1 1 82 82 ILE CB C 82 37.792 37.792 40.041 -2.249 18732 6160 1 19 . 1 1 83 83 LEU N N 83 129.605 129.605 127.646 1.959 18732 6161 1 19 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.873 0.081 18732 6162 1 19 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.656 -2.324 18732 6163 1 19 . 1 1 83 83 LEU CB C 83 43.475 43.475 45.220 -1.745 18732 6164 1 19 . 1 1 84 84 GLU N N 84 125.594 125.594 120.113 5.481 18732 6165 1 19 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.756 -0.044 18732 6166 1 19 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.632 -1.242 18732 6167 1 19 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.186 -5.064 18732 6168 1 19 . 1 1 85 85 GLU N N 85 123.904 123.904 121.241 2.663 18732 6169 1 19 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.644 -0.215 18732 6170 1 19 . 1 1 85 85 GLU CA C 85 53.896 53.896 55.665 -1.769 18732 6171 1 19 . 1 1 85 85 GLU CB C 85 28.642 28.642 31.025 -2.383 18732 6172 1 19 . 1 1 86 86 TYR N N 86 123.323 123.323 121.004 2.319 18732 6173 1 19 . 1 1 86 86 TYR HA H 86 4.721 4.721 5.229 -0.508 18732 6174 1 19 . 1 1 86 86 TYR CA C 86 53.909 53.909 57.124 -3.215 18732 6175 1 19 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.910 -3.314 18732 6176 1 20 . 1 1 2 2 GLU N N 2 120.598 120.598 119.970 0.628 18732 6177 1 20 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.850 -1.885 18732 6178 1 20 . 1 1 2 2 GLU CB C 2 27.978 27.978 31.208 -3.230 18732 6179 1 20 . 1 1 3 3 GLU N N 3 120.984 120.984 120.832 0.152 18732 6180 1 20 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.350 -0.152 18732 6181 1 20 . 1 1 3 3 GLU CA C 3 60.035 60.035 56.480 3.555 18732 6182 1 20 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.416 -0.148 18732 6183 1 20 . 1 1 4 4 THR N N 4 117.936 117.936 112.947 4.989 18732 6184 1 20 . 1 1 4 4 THR HA H 4 4.665 4.665 4.661 0.004 18732 6185 1 20 . 1 1 4 4 THR CA C 4 57.307 57.307 58.586 -1.279 18732 6186 1 20 . 1 1 4 4 THR CB C 4 67.215 67.215 70.412 -3.197 18732 6187 1 20 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.701 -2.961 18732 6188 1 20 . 1 1 5 5 PRO CB C 5 29.700 29.700 31.820 -2.119 18732 6189 1 20 . 1 1 6 6 LEU N N 6 122.097 122.097 121.054 1.043 18732 6190 1 20 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.522 -0.141 18732 6191 1 20 . 1 1 6 6 LEU CA C 6 53.015 53.015 53.968 -0.953 18732 6192 1 20 . 1 1 6 6 LEU CB C 6 40.054 40.054 39.872 0.182 18732 6193 1 20 . 1 1 8 8 THR N N 8 116.987 116.987 115.567 1.420 18732 6194 1 20 . 1 1 8 8 THR HA H 8 4.348 4.348 4.510 -0.162 18732 6195 1 20 . 1 1 8 8 THR CA C 8 59.340 59.340 62.521 -3.181 18732 6196 1 20 . 1 1 8 8 THR CB C 8 67.234 67.234 69.405 -2.171 18732 6197 1 20 . 1 1 9 9 ALA N N 9 125.944 125.944 126.743 -0.799 18732 6198 1 20 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.408 -0.034 18732 6199 1 20 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.793 -2.784 18732 6200 1 20 . 1 1 9 9 ALA CB C 9 16.807 16.807 20.052 -3.245 18732 6201 1 20 . 1 1 10 10 ARG N N 10 119.637 119.637 122.797 -3.160 18732 6202 1 20 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.354 -0.031 18732 6203 1 20 . 1 1 10 10 ARG CA C 10 53.532 53.532 56.374 -2.842 18732 6204 1 20 . 1 1 10 10 ARG CB C 10 28.492 28.492 29.037 -0.545 18732 6205 1 20 . 1 1 11 11 HIS N N 11 119.667 119.667 122.199 -2.532 18732 6206 1 20 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.605 0.112 18732 6207 1 20 . 1 1 11 11 HIS CA C 11 52.790 52.790 55.809 -3.019 18732 6208 1 20 . 1 1 11 11 HIS CB C 11 27.033 27.033 30.851 -3.817 18732 6209 1 20 . 1 1 12 12 MET N N 12 122.280 122.280 123.012 -0.732 18732 6210 1 20 . 1 1 12 12 MET HA H 12 4.543 4.543 4.741 -0.198 18732 6211 1 20 . 1 1 12 12 MET CA C 12 53.058 53.058 54.259 -1.201 18732 6212 1 20 . 1 1 12 12 MET CB C 12 29.647 29.647 36.080 -6.433 18732 6213 1 20 . 1 1 13 13 SER N N 13 118.363 118.363 117.078 1.285 18732 6214 1 20 . 1 1 13 13 SER HA H 13 4.515 4.515 4.539 -0.024 18732 6215 1 20 . 1 1 13 13 SER CA C 13 55.083 55.083 57.589 -2.506 18732 6216 1 20 . 1 1 13 13 SER CB C 13 62.243 62.243 64.855 -2.612 18732 6217 1 20 . 1 1 14 14 LYS N N 14 123.039 123.039 123.385 -0.346 18732 6218 1 20 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.830 0.096 18732 6219 1 20 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.056 -2.176 18732 6220 1 20 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.558 -2.063 18732 6221 1 20 . 1 1 15 15 TRP N N 15 118.585 118.585 117.313 1.272 18732 6222 1 20 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.805 -0.426 18732 6223 1 20 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.644 -1.075 18732 6224 1 20 . 1 1 15 15 TRP CB C 15 27.426 27.426 30.654 -3.228 18732 6225 1 20 . 1 1 16 16 GLU N N 16 119.418 119.418 120.865 -1.447 18732 6226 1 20 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.705 -0.729 18732 6227 1 20 . 1 1 16 16 GLU CA C 16 56.540 56.540 59.508 -2.968 18732 6228 1 20 . 1 1 16 16 GLU CB C 16 27.787 27.787 28.374 -0.587 18732 6229 1 20 . 1 1 17 17 GLU N N 17 117.377 117.377 119.731 -2.354 18732 6230 1 20 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.046 -0.136 18732 6231 1 20 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.358 -2.460 18732 6232 1 20 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.453 -2.600 18732 6233 1 20 . 1 1 18 18 ILE N N 18 119.807 119.807 120.041 -0.234 18732 6234 1 20 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.776 -0.108 18732 6235 1 20 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.280 -2.535 18732 6236 1 20 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.785 -2.122 18732 6237 1 20 . 1 1 19 19 ALA N N 19 121.744 121.744 122.598 -0.854 18732 6238 1 20 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.060 -0.105 18732 6239 1 20 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.476 -2.033 18732 6240 1 20 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.403 -3.129 18732 6241 1 20 . 1 1 20 20 VAL N N 20 115.918 115.918 118.262 -2.344 18732 6242 1 20 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.531 -0.133 18732 6243 1 20 . 1 1 20 20 VAL CA C 20 64.329 64.329 67.031 -2.702 18732 6244 1 20 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.483 -2.079 18732 6245 1 20 . 1 1 21 21 LYS N N 21 119.785 119.785 119.011 0.774 18732 6246 1 20 . 1 1 21 21 LYS HA H 21 3.921 3.921 4.018 -0.097 18732 6247 1 20 . 1 1 21 21 LYS CA C 21 57.442 57.442 59.829 -2.387 18732 6248 1 20 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.238 1.274 18732 6249 1 20 . 1 1 22 22 GLU N N 22 118.955 118.955 119.845 -0.890 18732 6250 1 20 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.124 -0.055 18732 6251 1 20 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.408 -3.147 18732 6252 1 20 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.510 -3.414 18732 6253 1 20 . 1 1 23 23 ALA N N 23 122.253 122.253 118.056 4.197 18732 6254 1 20 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.467 -0.366 18732 6255 1 20 . 1 1 23 23 ALA CA C 23 53.226 53.226 53.529 -0.303 18732 6256 1 20 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.465 -2.956 18732 6257 1 20 . 1 1 24 24 LYS N N 24 116.889 116.889 115.457 1.432 18732 6258 1 20 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.454 -0.435 18732 6259 1 20 . 1 1 24 24 LYS CA C 24 55.745 55.745 57.983 -2.239 18732 6260 1 20 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.561 -4.376 18732 6261 1 20 . 1 1 25 25 LYS N N 25 117.772 117.772 121.251 -3.479 18732 6262 1 20 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.231 -0.208 18732 6263 1 20 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.645 -2.305 18732 6264 1 20 . 1 1 25 25 LYS CB C 25 30.202 30.202 31.994 -1.792 18732 6265 1 20 . 1 1 26 26 ARG N N 26 117.176 117.176 118.856 -1.680 18732 6266 1 20 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.085 -0.028 18732 6267 1 20 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.227 -3.236 18732 6268 1 20 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.481 -2.447 18732 6269 1 20 . 1 1 27 27 TYR N N 27 117.344 117.344 117.457 -0.113 18732 6270 1 20 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.861 0.221 18732 6271 1 20 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.557 -2.999 18732 6272 1 20 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.917 -2.930 18732 6273 1 20 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.488 0.261 18732 6274 1 20 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.411 -2.018 18732 6275 1 20 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.238 -2.383 18732 6276 1 20 . 1 1 29 29 LEU N N 29 117.758 117.758 118.678 -0.920 18732 6277 1 20 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.360 0.229 18732 6278 1 20 . 1 1 29 29 LEU CA C 29 51.574 51.574 55.432 -3.858 18732 6279 1 20 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.996 -3.106 18732 6280 1 20 . 1 1 30 30 ALA N N 30 122.493 122.493 117.142 5.351 18732 6281 1 20 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.896 -0.045 18732 6282 1 20 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.869 -2.014 18732 6283 1 20 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.739 -3.071 18732 6284 1 20 . 1 1 31 31 GLN N N 31 118.936 118.936 118.719 0.217 18732 6285 1 20 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.750 -0.111 18732 6286 1 20 . 1 1 31 31 GLN CA C 31 51.271 51.271 53.827 -2.556 18732 6287 1 20 . 1 1 31 31 GLN CB C 31 28.843 28.843 31.853 -3.010 18732 6288 1 20 . 1 1 32 32 VAL N N 32 123.815 123.815 123.431 0.384 18732 6289 1 20 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.408 0.257 18732 6290 1 20 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.964 -1.699 18732 6291 1 20 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.755 -3.877 18732 6292 1 20 . 1 1 33 33 LEU N N 33 128.709 128.709 125.131 3.578 18732 6293 1 20 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.667 -0.425 18732 6294 1 20 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.599 -1.216 18732 6295 1 20 . 1 1 33 33 LEU CB C 33 41.123 41.123 43.075 -1.952 18732 6296 1 20 . 1 1 34 34 PHE N N 34 114.779 114.779 119.088 -4.309 18732 6297 1 20 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.688 -0.782 18732 6298 1 20 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.306 -3.391 18732 6299 1 20 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.340 -2.687 18732 6300 1 20 . 1 1 35 35 LYS N N 35 120.077 120.077 124.109 -4.032 18732 6301 1 20 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.714 0.524 18732 6302 1 20 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.219 -2.922 18732 6303 1 20 . 1 1 35 35 LYS CB C 35 32.998 32.998 34.047 -1.049 18732 6304 1 20 . 1 1 36 36 GLN N N 36 119.491 119.491 121.551 -2.060 18732 6305 1 20 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.864 0.372 18732 6306 1 20 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.534 -2.337 18732 6307 1 20 . 1 1 36 36 GLN CB C 36 30.609 30.609 33.161 -2.552 18732 6308 1 20 . 1 1 37 37 LYS N N 37 128.471 128.471 121.693 6.778 18732 6309 1 20 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.249 0.546 18732 6310 1 20 . 1 1 37 37 LYS CA C 37 54.661 54.661 57.192 -2.531 18732 6311 1 20 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.039 -1.766 18732 6312 1 20 . 1 1 38 38 VAL N N 38 125.112 125.112 116.322 8.790 18732 6313 1 20 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.414 -0.077 18732 6314 1 20 . 1 1 38 38 VAL CA C 38 60.252 60.252 60.433 -0.181 18732 6315 1 20 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.525 -2.805 18732 6316 1 20 . 1 1 39 39 TRP N N 39 123.085 123.085 123.533 -0.448 18732 6317 1 20 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.476 0.373 18732 6318 1 20 . 1 1 39 39 TRP CA C 39 54.206 54.206 58.185 -3.979 18732 6319 1 20 . 1 1 39 39 TRP CB C 39 30.461 30.461 30.474 -0.012 18732 6320 1 20 . 1 1 40 40 ASP N N 40 123.000 123.000 122.533 0.467 18732 6321 1 20 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.769 0.359 18732 6322 1 20 . 1 1 40 40 ASP CA C 40 51.105 51.105 52.743 -1.638 18732 6323 1 20 . 1 1 40 40 ASP CB C 40 41.077 41.077 43.768 -2.691 18732 6324 1 20 . 1 1 41 41 ARG N N 41 123.259 123.259 118.664 4.595 18732 6325 1 20 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.230 0.318 18732 6326 1 20 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.652 -2.029 18732 6327 1 20 . 1 1 41 41 ARG CB C 41 31.417 31.417 33.597 -2.180 18732 6328 1 20 . 1 1 42 42 LYS N N 42 124.798 124.798 119.834 4.964 18732 6329 1 20 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.638 0.050 18732 6330 1 20 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.764 -0.991 18732 6331 1 20 . 1 1 42 42 LYS CB C 42 31.787 31.787 35.065 -3.278 18732 6332 1 20 . 1 1 43 43 ARG N N 43 124.461 124.461 121.957 2.504 18732 6333 1 20 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.580 0.069 18732 6334 1 20 . 1 1 43 43 ARG CA C 43 52.179 52.179 55.555 -3.376 18732 6335 1 20 . 1 1 43 43 ARG CB C 43 30.149 30.149 30.632 -0.483 18732 6336 1 20 . 1 1 44 44 LYS N N 44 121.297 121.297 120.257 1.040 18732 6337 1 20 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.120 -0.097 18732 6338 1 20 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.857 -2.221 18732 6339 1 20 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.199 -2.087 18732 6340 1 20 . 1 1 45 45 ASP N N 45 115.145 115.145 112.771 2.374 18732 6341 1 20 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.852 -0.102 18732 6342 1 20 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.527 -2.427 18732 6343 1 20 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.521 -2.828 18732 6344 1 20 . 1 1 46 46 GLU N N 46 118.274 118.274 118.090 0.184 18732 6345 1 20 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.853 -0.386 18732 6346 1 20 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.420 -1.698 18732 6347 1 20 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.866 -3.796 18732 6348 1 20 . 1 1 47 47 ALA N N 47 127.506 127.506 123.713 3.793 18732 6349 1 20 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.935 -0.241 18732 6350 1 20 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.254 -2.146 18732 6351 1 20 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.447 -3.604 18732 6352 1 20 . 1 1 48 48 VAL N N 48 118.088 118.088 114.740 3.348 18732 6353 1 20 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.993 0.352 18732 6354 1 20 . 1 1 48 48 VAL CA C 48 57.625 57.625 60.237 -2.612 18732 6355 1 20 . 1 1 48 48 VAL CB C 48 33.496 33.496 34.739 -1.243 18732 6356 1 20 . 1 1 49 49 LYS N N 49 124.725 124.725 126.970 -2.245 18732 6357 1 20 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.573 0.784 18732 6358 1 20 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.984 -3.945 18732 6359 1 20 . 1 1 50 50 GLN N N 50 121.028 121.028 120.127 0.901 18732 6360 1 20 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.611 0.375 18732 6361 1 20 . 1 1 50 50 GLN CA C 50 52.113 52.113 54.222 -2.110 18732 6362 1 20 . 1 1 50 50 GLN CB C 50 23.684 23.684 30.359 -6.675 18732 6363 1 20 . 1 1 51 51 TYR N N 51 124.549 124.549 116.815 7.734 18732 6364 1 20 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.957 0.261 18732 6365 1 20 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.268 -2.718 18732 6366 1 20 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.927 -2.647 18732 6367 1 20 . 1 1 52 52 HIS N N 52 121.301 121.301 119.385 1.916 18732 6368 1 20 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.242 -0.023 18732 6369 1 20 . 1 1 52 52 HIS CA C 52 51.708 51.708 54.140 -2.432 18732 6370 1 20 . 1 1 52 52 HIS CB C 52 28.907 28.907 32.400 -3.493 18732 6371 1 20 . 1 1 53 53 LEU N N 53 127.743 127.743 126.431 1.312 18732 6372 1 20 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.785 0.423 18732 6373 1 20 . 1 1 53 53 LEU CA C 53 50.887 50.887 52.699 -1.812 18732 6374 1 20 . 1 1 53 53 LEU CB C 53 42.084 42.084 45.687 -3.603 18732 6375 1 20 . 1 1 54 54 THR N N 54 117.996 117.996 116.847 1.149 18732 6376 1 20 . 1 1 54 54 THR HA H 54 4.600 4.600 4.561 0.039 18732 6377 1 20 . 1 1 54 54 THR CA C 54 59.774 59.774 62.113 -2.339 18732 6378 1 20 . 1 1 54 54 THR CB C 54 67.153 67.153 70.262 -3.109 18732 6379 1 20 . 1 1 55 55 LEU N N 55 129.329 129.329 124.194 5.135 18732 6380 1 20 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.967 0.107 18732 6381 1 20 . 1 1 55 55 LEU CA C 55 50.769 50.769 52.781 -2.012 18732 6382 1 20 . 1 1 55 55 LEU CB C 55 42.090 42.090 44.922 -2.833 18732 6383 1 20 . 1 1 56 56 ARG N N 56 117.231 117.231 120.654 -3.423 18732 6384 1 20 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.675 0.682 18732 6385 1 20 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.855 -2.980 18732 6386 1 20 . 1 1 56 56 ARG CB C 56 31.945 31.945 32.321 -0.376 18732 6387 1 20 . 1 1 57 57 GLU N N 57 128.411 128.411 128.854 -0.443 18732 6388 1 20 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.725 -0.034 18732 6389 1 20 . 1 1 57 57 GLU CA C 57 52.864 52.864 56.731 -3.867 18732 6390 1 20 . 1 1 57 57 GLU CB C 57 29.942 29.942 30.955 -1.013 18732 6391 1 20 . 1 1 58 58 GLY N N 58 118.265 118.265 116.557 1.708 18732 6392 1 20 . 1 1 58 58 GLY CA C 58 44.943 44.943 46.889 -1.946 18732 6393 1 20 . 1 1 59 59 SER N N 59 122.061 122.061 119.206 2.855 18732 6394 1 20 . 1 1 59 59 SER HA H 59 4.567 4.567 4.764 -0.197 18732 6395 1 20 . 1 1 59 59 SER CA C 59 55.730 55.730 57.956 -2.226 18732 6396 1 20 . 1 1 59 59 SER CB C 59 61.262 61.262 63.270 -2.008 18732 6397 1 20 . 1 1 60 60 LYS N N 60 124.154 124.154 122.276 1.878 18732 6398 1 20 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.698 -0.078 18732 6399 1 20 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.383 -1.939 18732 6400 1 20 . 1 1 60 60 LYS CB C 60 32.144 32.144 36.262 -4.118 18732 6401 1 20 . 1 1 61 61 GLU N N 61 125.701 125.701 122.270 3.431 18732 6402 1 20 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.031 0.483 18732 6403 1 20 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.841 -3.735 18732 6404 1 20 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.222 -2.682 18732 6405 1 20 . 1 1 62 62 PHE N N 62 121.360 121.360 121.752 -0.392 18732 6406 1 20 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.994 0.052 18732 6407 1 20 . 1 1 62 62 PHE CA C 62 53.363 53.363 56.027 -2.664 18732 6408 1 20 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.517 -3.717 18732 6409 1 20 . 1 1 63 63 GLY N N 63 107.546 107.546 107.120 0.426 18732 6410 1 20 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.595 -1.963 18732 6411 1 20 . 1 1 64 64 VAL N N 64 115.031 115.031 117.415 -2.384 18732 6412 1 20 . 1 1 64 64 VAL HA H 64 5.020 5.020 5.027 -0.007 18732 6413 1 20 . 1 1 64 64 VAL CA C 64 57.030 57.030 58.959 -1.929 18732 6414 1 20 . 1 1 64 64 VAL CB C 64 34.152 34.152 34.977 -0.825 18732 6415 1 20 . 1 1 65 65 PHE N N 65 122.208 122.208 123.225 -1.017 18732 6416 1 20 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.058 0.574 18732 6417 1 20 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.731 -2.731 18732 6418 1 20 . 1 1 65 65 PHE CB C 65 39.295 39.295 41.631 -2.336 18732 6419 1 20 . 1 1 66 66 VAL N N 66 123.832 123.832 117.818 6.014 18732 6420 1 20 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.489 0.668 18732 6421 1 20 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.391 -2.757 18732 6422 1 20 . 1 1 66 66 VAL CB C 66 32.312 32.312 34.958 -2.646 18732 6423 1 20 . 1 1 67 67 THR N N 67 125.293 125.293 123.304 1.989 18732 6424 1 20 . 1 1 67 67 THR CA C 67 57.150 57.150 61.811 -4.661 18732 6425 1 20 . 1 1 67 67 THR CB C 67 67.050 67.050 69.496 -2.446 18732 6426 1 20 . 1 1 68 68 ILE N N 68 128.624 128.624 129.092 -0.468 18732 6427 1 20 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.348 0.515 18732 6428 1 20 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.661 -2.428 18732 6429 1 20 . 1 1 68 68 ILE CB C 68 39.314 39.314 39.081 0.233 18732 6430 1 20 . 1 1 69 69 SER N N 69 122.023 122.023 122.971 -0.948 18732 6431 1 20 . 1 1 69 69 SER HA H 69 5.804 5.804 5.079 0.725 18732 6432 1 20 . 1 1 69 69 SER CA C 69 53.530 53.530 57.686 -4.156 18732 6433 1 20 . 1 1 69 69 SER CB C 69 61.921 61.921 64.048 -2.127 18732 6434 1 20 . 1 1 70 70 PHE N N 70 123.800 123.800 122.675 1.125 18732 6435 1 20 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.380 -0.003 18732 6436 1 20 . 1 1 70 70 PHE CA C 70 53.143 53.143 54.929 -1.786 18732 6437 1 20 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.930 -1.562 18732 6438 1 20 . 1 1 71 71 ASP N N 71 121.547 121.547 119.932 1.615 18732 6439 1 20 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.124 -0.025 18732 6440 1 20 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.285 -2.063 18732 6441 1 20 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.321 -3.476 18732 6442 1 20 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.660 -0.295 18732 6443 1 20 . 1 1 72 72 PRO CA C 72 61.599 61.599 63.768 -2.169 18732 6444 1 20 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.248 -2.582 18732 6445 1 20 . 1 1 73 73 TYR N N 73 118.085 118.085 120.382 -2.297 18732 6446 1 20 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.387 0.239 18732 6447 1 20 . 1 1 73 73 TYR CA C 73 57.330 57.330 58.903 -1.573 18732 6448 1 20 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.235 -2.655 18732 6449 1 20 . 1 1 74 74 SER N N 74 113.942 113.942 111.205 2.737 18732 6450 1 20 . 1 1 74 74 SER HA H 74 4.506 4.506 4.659 -0.153 18732 6451 1 20 . 1 1 74 74 SER CA C 74 56.253 56.253 57.965 -1.712 18732 6452 1 20 . 1 1 74 74 SER CB C 74 62.670 62.670 64.002 -1.332 18732 6453 1 20 . 1 1 75 75 GLN N N 75 115.717 115.717 119.636 -3.919 18732 6454 1 20 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.637 -0.393 18732 6455 1 20 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.118 -1.546 18732 6456 1 20 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.940 -3.317 18732 6457 1 20 . 1 1 76 76 LYS N N 76 119.205 119.205 119.924 -0.719 18732 6458 1 20 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.482 -0.038 18732 6459 1 20 . 1 1 76 76 LYS CA C 76 54.013 54.013 55.694 -1.681 18732 6460 1 20 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.761 -2.386 18732 6461 1 20 . 1 1 77 77 VAL N N 77 125.587 125.587 126.508 -0.921 18732 6462 1 20 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.086 -0.082 18732 6463 1 20 . 1 1 77 77 VAL CA C 77 61.558 61.558 62.319 -0.761 18732 6464 1 20 . 1 1 77 77 VAL CB C 77 30.401 30.401 32.743 -2.342 18732 6465 1 20 . 1 1 78 78 ASN N N 78 126.604 126.604 128.617 -2.013 18732 6466 1 20 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.697 0.253 18732 6467 1 20 . 1 1 78 78 ASN CA C 78 51.577 51.577 55.208 -3.631 18732 6468 1 20 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.172 -1.811 18732 6469 1 20 . 1 1 79 79 LYS N N 79 118.463 118.463 117.858 0.605 18732 6470 1 20 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.689 -0.071 18732 6471 1 20 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.559 -1.987 18732 6472 1 20 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.872 -3.343 18732 6473 1 20 . 1 1 80 80 ILE N N 80 123.294 123.294 120.470 2.824 18732 6474 1 20 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.314 -0.243 18732 6475 1 20 . 1 1 80 80 ILE CA C 80 57.696 57.696 58.695 -0.999 18732 6476 1 20 . 1 1 80 80 ILE CB C 80 38.260 38.260 39.591 -1.331 18732 6477 1 20 . 1 1 81 81 ALA N N 81 130.466 130.466 128.209 2.257 18732 6478 1 20 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.824 0.212 18732 6479 1 20 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.117 -2.895 18732 6480 1 20 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.469 -2.395 18732 6481 1 20 . 1 1 82 82 ILE N N 82 122.249 122.249 118.867 3.382 18732 6482 1 20 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.560 0.682 18732 6483 1 20 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.873 -2.198 18732 6484 1 20 . 1 1 82 82 ILE CB C 82 37.792 37.792 40.954 -3.162 18732 6485 1 20 . 1 1 83 83 LEU N N 83 129.605 129.605 123.659 5.946 18732 6486 1 20 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.870 0.084 18732 6487 1 20 . 1 1 83 83 LEU CA C 83 51.332 51.332 54.246 -2.914 18732 6488 1 20 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.473 -2.998 18732 6489 1 20 . 1 1 84 84 GLU N N 84 125.594 125.594 121.328 4.266 18732 6490 1 20 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.645 0.067 18732 6491 1 20 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.323 -0.933 18732 6492 1 20 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.551 -5.429 18732 6493 1 20 . 1 1 85 85 GLU N N 85 123.904 123.904 126.437 -2.533 18732 6494 1 20 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.166 0.263 18732 6495 1 20 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.340 -2.443 18732 6496 1 20 . 1 1 85 85 GLU CB C 85 28.642 28.642 30.590 -1.948 18732 6497 1 20 . 1 1 86 86 TYR N N 86 123.323 123.323 119.222 4.101 18732 6498 1 20 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.711 0.010 18732 6499 1 20 . 1 1 86 86 TYR CA C 86 53.909 53.909 57.282 -3.373 18732 6500 1 20 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.537 -2.941 18732 6501 1 21 . 1 1 2 2 GLU N N 2 120.598 120.598 120.788 -0.190 18732 6502 1 21 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.921 -1.956 18732 6503 1 21 . 1 1 2 2 GLU CB C 2 27.978 27.978 31.405 -3.427 18732 6504 1 21 . 1 1 3 3 GLU N N 3 120.984 120.984 121.275 -0.291 18732 6505 1 21 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.067 0.131 18732 6506 1 21 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.537 2.498 18732 6507 1 21 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.098 0.170 18732 6508 1 21 . 1 1 4 4 THR N N 4 117.936 117.936 108.421 9.515 18732 6509 1 21 . 1 1 4 4 THR HA H 4 4.665 4.665 4.330 0.335 18732 6510 1 21 . 1 1 4 4 THR CA C 4 57.307 57.307 59.331 -2.024 18732 6511 1 21 . 1 1 4 4 THR CB C 4 67.215 67.215 70.175 -2.960 18732 6512 1 21 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.400 -2.660 18732 6513 1 21 . 1 1 5 5 PRO CB C 5 29.700 29.700 30.102 -0.402 18732 6514 1 21 . 1 1 6 6 LEU N N 6 122.097 122.097 121.536 0.561 18732 6515 1 21 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.839 -0.458 18732 6516 1 21 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.318 -1.303 18732 6517 1 21 . 1 1 6 6 LEU CB C 6 40.054 40.054 41.651 -1.597 18732 6518 1 21 . 1 1 8 8 THR N N 8 116.987 116.987 117.039 -0.052 18732 6519 1 21 . 1 1 8 8 THR HA H 8 4.348 4.348 4.564 -0.216 18732 6520 1 21 . 1 1 8 8 THR CA C 8 59.340 59.340 61.810 -2.470 18732 6521 1 21 . 1 1 8 8 THR CB C 8 67.234 67.234 68.842 -1.608 18732 6522 1 21 . 1 1 9 9 ALA N N 9 125.944 125.944 125.220 0.724 18732 6523 1 21 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.520 -0.146 18732 6524 1 21 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.282 -2.273 18732 6525 1 21 . 1 1 9 9 ALA CB C 9 16.807 16.807 20.323 -3.516 18732 6526 1 21 . 1 1 10 10 ARG N N 10 119.637 119.637 120.600 -0.963 18732 6527 1 21 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.513 -0.190 18732 6528 1 21 . 1 1 10 10 ARG CA C 10 53.532 53.532 56.414 -2.882 18732 6529 1 21 . 1 1 10 10 ARG CB C 10 28.492 28.492 30.763 -2.271 18732 6530 1 21 . 1 1 11 11 HIS N N 11 119.667 119.667 119.244 0.423 18732 6531 1 21 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.734 -0.017 18732 6532 1 21 . 1 1 11 11 HIS CA C 11 52.790 52.790 55.475 -2.685 18732 6533 1 21 . 1 1 11 11 HIS CB C 11 27.033 27.033 30.429 -3.396 18732 6534 1 21 . 1 1 12 12 MET N N 12 122.280 122.280 127.857 -5.577 18732 6535 1 21 . 1 1 12 12 MET HA H 12 4.543 4.543 4.688 -0.145 18732 6536 1 21 . 1 1 12 12 MET CA C 12 53.058 53.058 54.751 -1.693 18732 6537 1 21 . 1 1 12 12 MET CB C 12 29.647 29.647 33.596 -3.949 18732 6538 1 21 . 1 1 13 13 SER N N 13 118.363 118.363 120.605 -2.242 18732 6539 1 21 . 1 1 13 13 SER HA H 13 4.515 4.515 4.473 0.042 18732 6540 1 21 . 1 1 13 13 SER CA C 13 55.083 55.083 58.371 -3.288 18732 6541 1 21 . 1 1 13 13 SER CB C 13 62.243 62.243 64.731 -2.488 18732 6542 1 21 . 1 1 14 14 LYS N N 14 123.039 123.039 124.030 -0.991 18732 6543 1 21 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.863 0.063 18732 6544 1 21 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.798 -2.918 18732 6545 1 21 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.890 -2.395 18732 6546 1 21 . 1 1 15 15 TRP N N 15 118.585 118.585 116.576 2.009 18732 6547 1 21 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.767 -0.388 18732 6548 1 21 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.670 -1.101 18732 6549 1 21 . 1 1 15 15 TRP CB C 15 27.426 27.426 29.184 -1.758 18732 6550 1 21 . 1 1 16 16 GLU N N 16 119.418 119.418 120.708 -1.290 18732 6551 1 21 . 1 1 16 16 GLU HA H 16 2.976 2.976 2.767 0.209 18732 6552 1 21 . 1 1 16 16 GLU CA C 16 56.540 56.540 59.758 -3.218 18732 6553 1 21 . 1 1 16 16 GLU CB C 16 27.787 27.787 29.224 -1.437 18732 6554 1 21 . 1 1 17 17 GLU N N 17 117.377 117.377 117.996 -0.619 18732 6555 1 21 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.025 -0.115 18732 6556 1 21 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.201 -2.303 18732 6557 1 21 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.212 -2.359 18732 6558 1 21 . 1 1 18 18 ILE N N 18 119.807 119.807 120.723 -0.916 18732 6559 1 21 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.782 -0.114 18732 6560 1 21 . 1 1 18 18 ILE CA C 18 62.745 62.745 64.509 -1.764 18732 6561 1 21 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.635 -1.972 18732 6562 1 21 . 1 1 19 19 ALA N N 19 121.744 121.744 122.976 -1.232 18732 6563 1 21 . 1 1 19 19 ALA HA H 19 3.955 3.955 3.967 -0.012 18732 6564 1 21 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.383 -1.940 18732 6565 1 21 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.088 -2.814 18732 6566 1 21 . 1 1 20 20 VAL N N 20 115.918 115.918 118.286 -2.368 18732 6567 1 21 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.391 0.008 18732 6568 1 21 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.550 -2.221 18732 6569 1 21 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.346 -1.942 18732 6570 1 21 . 1 1 21 21 LYS N N 21 119.785 119.785 119.227 0.558 18732 6571 1 21 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.959 -0.039 18732 6572 1 21 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.038 -2.596 18732 6573 1 21 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.128 1.384 18732 6574 1 21 . 1 1 22 22 GLU N N 22 118.955 118.955 119.506 -0.551 18732 6575 1 21 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.146 -0.077 18732 6576 1 21 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.470 -3.209 18732 6577 1 21 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.641 -3.545 18732 6578 1 21 . 1 1 23 23 ALA N N 23 122.253 122.253 120.248 2.005 18732 6579 1 21 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.202 -0.101 18732 6580 1 21 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.664 -1.438 18732 6581 1 21 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.676 -3.167 18732 6582 1 21 . 1 1 24 24 LYS N N 24 116.889 116.889 116.314 0.575 18732 6583 1 21 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.233 -0.214 18732 6584 1 21 . 1 1 24 24 LYS CA C 24 55.745 55.745 58.427 -2.682 18732 6585 1 21 . 1 1 24 24 LYS CB C 24 29.185 29.185 32.936 -3.751 18732 6586 1 21 . 1 1 25 25 LYS N N 25 117.772 117.772 120.539 -2.767 18732 6587 1 21 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.219 -0.196 18732 6588 1 21 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.811 -2.471 18732 6589 1 21 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.340 -2.138 18732 6590 1 21 . 1 1 26 26 ARG N N 26 117.176 117.176 119.637 -2.461 18732 6591 1 21 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.149 -0.092 18732 6592 1 21 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.546 -3.555 18732 6593 1 21 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.646 -2.612 18732 6594 1 21 . 1 1 27 27 TYR N N 27 117.344 117.344 118.371 -1.027 18732 6595 1 21 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.854 0.228 18732 6596 1 21 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.521 -2.963 18732 6597 1 21 . 1 1 27 27 TYR CB C 27 35.987 35.987 39.364 -3.377 18732 6598 1 21 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.475 0.274 18732 6599 1 21 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.062 -1.669 18732 6600 1 21 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.219 -2.364 18732 6601 1 21 . 1 1 29 29 LEU N N 29 117.758 117.758 117.707 0.051 18732 6602 1 21 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.539 0.050 18732 6603 1 21 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.408 -2.834 18732 6604 1 21 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.295 -2.405 18732 6605 1 21 . 1 1 30 30 ALA N N 30 122.493 122.493 118.999 3.494 18732 6606 1 21 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.944 -0.093 18732 6607 1 21 . 1 1 30 30 ALA CA C 30 48.855 48.855 51.026 -2.171 18732 6608 1 21 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.539 -2.871 18732 6609 1 21 . 1 1 31 31 GLN N N 31 118.936 118.936 118.498 0.438 18732 6610 1 21 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.637 0.002 18732 6611 1 21 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.747 -3.476 18732 6612 1 21 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.241 -3.398 18732 6613 1 21 . 1 1 32 32 VAL N N 32 123.815 123.815 122.550 1.265 18732 6614 1 21 . 1 1 32 32 VAL HA H 32 4.665 4.665 3.837 0.828 18732 6615 1 21 . 1 1 32 32 VAL CA C 32 60.265 60.265 63.346 -3.081 18732 6616 1 21 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.456 -3.578 18732 6617 1 21 . 1 1 33 33 LEU N N 33 128.709 128.709 120.354 8.355 18732 6618 1 21 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.577 -0.335 18732 6619 1 21 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.875 -1.492 18732 6620 1 21 . 1 1 33 33 LEU CB C 33 41.123 41.123 43.148 -2.025 18732 6621 1 21 . 1 1 34 34 PHE N N 34 114.779 114.779 120.071 -5.292 18732 6622 1 21 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.665 -0.759 18732 6623 1 21 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.072 -3.157 18732 6624 1 21 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.050 -2.397 18732 6625 1 21 . 1 1 35 35 LYS N N 35 120.077 120.077 122.366 -2.289 18732 6626 1 21 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.596 0.642 18732 6627 1 21 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.745 -3.448 18732 6628 1 21 . 1 1 35 35 LYS CB C 35 32.998 32.998 33.593 -0.595 18732 6629 1 21 . 1 1 36 36 GLN N N 36 119.491 119.491 124.241 -4.750 18732 6630 1 21 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.757 0.479 18732 6631 1 21 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.302 -2.105 18732 6632 1 21 . 1 1 36 36 GLN CB C 36 30.609 30.609 33.166 -2.558 18732 6633 1 21 . 1 1 37 37 LYS N N 37 128.471 128.471 124.025 4.446 18732 6634 1 21 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.371 0.424 18732 6635 1 21 . 1 1 37 37 LYS CA C 37 54.661 54.661 55.975 -1.315 18732 6636 1 21 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.508 -2.235 18732 6637 1 21 . 1 1 38 38 VAL N N 38 125.112 125.112 121.088 4.024 18732 6638 1 21 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.188 0.149 18732 6639 1 21 . 1 1 38 38 VAL CA C 38 60.252 60.252 62.768 -2.516 18732 6640 1 21 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.173 -2.453 18732 6641 1 21 . 1 1 39 39 TRP N N 39 123.085 123.085 127.797 -4.712 18732 6642 1 21 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.724 0.125 18732 6643 1 21 . 1 1 39 39 TRP CA C 39 54.206 54.206 57.194 -2.988 18732 6644 1 21 . 1 1 39 39 TRP CB C 39 30.461 30.461 30.823 -0.362 18732 6645 1 21 . 1 1 40 40 ASP N N 40 123.000 123.000 123.282 -0.282 18732 6646 1 21 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.763 0.365 18732 6647 1 21 . 1 1 40 40 ASP CA C 40 51.105 51.105 54.365 -3.260 18732 6648 1 21 . 1 1 40 40 ASP CB C 40 41.077 41.077 41.612 -0.535 18732 6649 1 21 . 1 1 41 41 ARG N N 41 123.259 123.259 120.161 3.098 18732 6650 1 21 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.436 0.112 18732 6651 1 21 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.450 -1.827 18732 6652 1 21 . 1 1 41 41 ARG CB C 41 31.417 31.417 32.641 -1.224 18732 6653 1 21 . 1 1 42 42 LYS N N 42 124.798 124.798 122.077 2.721 18732 6654 1 21 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.718 -0.030 18732 6655 1 21 . 1 1 42 42 LYS CA C 42 53.773 53.773 55.196 -1.423 18732 6656 1 21 . 1 1 42 42 LYS CB C 42 31.787 31.787 34.860 -3.073 18732 6657 1 21 . 1 1 43 43 ARG N N 43 124.461 124.461 119.687 4.774 18732 6658 1 21 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.622 0.027 18732 6659 1 21 . 1 1 43 43 ARG CA C 43 52.179 52.179 55.285 -3.106 18732 6660 1 21 . 1 1 43 43 ARG CB C 43 30.149 30.149 31.200 -1.051 18732 6661 1 21 . 1 1 44 44 LYS N N 44 121.297 121.297 120.087 1.210 18732 6662 1 21 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.218 -0.195 18732 6663 1 21 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.404 -1.768 18732 6664 1 21 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.486 -2.374 18732 6665 1 21 . 1 1 45 45 ASP N N 45 115.145 115.145 111.823 3.322 18732 6666 1 21 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.813 -0.063 18732 6667 1 21 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.023 -1.923 18732 6668 1 21 . 1 1 45 45 ASP CB C 45 38.693 38.693 40.164 -1.472 18732 6669 1 21 . 1 1 46 46 GLU N N 46 118.274 118.274 117.565 0.709 18732 6670 1 21 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.398 0.069 18732 6671 1 21 . 1 1 46 46 GLU CA C 46 53.722 53.722 56.330 -2.608 18732 6672 1 21 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.214 -3.144 18732 6673 1 21 . 1 1 47 47 ALA N N 47 127.506 127.506 120.901 6.605 18732 6674 1 21 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.607 0.087 18732 6675 1 21 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.788 -2.680 18732 6676 1 21 . 1 1 47 47 ALA CB C 47 18.842 18.842 21.636 -2.794 18732 6677 1 21 . 1 1 48 48 VAL N N 48 118.088 118.088 116.770 1.318 18732 6678 1 21 . 1 1 48 48 VAL HA H 48 5.345 5.345 5.110 0.235 18732 6679 1 21 . 1 1 48 48 VAL CA C 48 57.625 57.625 59.345 -1.720 18732 6680 1 21 . 1 1 48 48 VAL CB C 48 33.496 33.496 35.641 -2.145 18732 6681 1 21 . 1 1 49 49 LYS N N 49 124.725 124.725 118.895 5.830 18732 6682 1 21 . 1 1 49 49 LYS HA H 49 5.357 5.357 3.845 1.512 18732 6683 1 21 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.251 -3.212 18732 6684 1 21 . 1 1 50 50 GLN N N 50 121.028 121.028 115.576 5.452 18732 6685 1 21 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.995 -0.009 18732 6686 1 21 . 1 1 50 50 GLN CA C 50 52.113 52.113 54.215 -2.102 18732 6687 1 21 . 1 1 50 50 GLN CB C 50 23.684 23.684 32.642 -8.957 18732 6688 1 21 . 1 1 51 51 TYR N N 51 124.549 124.549 116.749 7.800 18732 6689 1 21 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.971 0.247 18732 6690 1 21 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.577 -3.027 18732 6691 1 21 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.956 -2.676 18732 6692 1 21 . 1 1 52 52 HIS N N 52 121.301 121.301 121.931 -0.630 18732 6693 1 21 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.381 -0.162 18732 6694 1 21 . 1 1 52 52 HIS CA C 52 51.708 51.708 53.714 -2.006 18732 6695 1 21 . 1 1 52 52 HIS CB C 52 28.907 28.907 31.716 -2.809 18732 6696 1 21 . 1 1 53 53 LEU N N 53 127.743 127.743 128.044 -0.301 18732 6697 1 21 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.653 0.555 18732 6698 1 21 . 1 1 53 53 LEU CA C 53 50.887 50.887 52.735 -1.848 18732 6699 1 21 . 1 1 53 53 LEU CB C 53 42.084 42.084 43.393 -1.309 18732 6700 1 21 . 1 1 54 54 THR N N 54 117.996 117.996 119.587 -1.591 18732 6701 1 21 . 1 1 54 54 THR HA H 54 4.600 4.600 4.361 0.239 18732 6702 1 21 . 1 1 54 54 THR CA C 54 59.774 59.774 62.012 -2.238 18732 6703 1 21 . 1 1 54 54 THR CB C 54 67.153 67.153 68.205 -1.052 18732 6704 1 21 . 1 1 55 55 LEU N N 55 129.329 129.329 127.226 2.103 18732 6705 1 21 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.538 0.536 18732 6706 1 21 . 1 1 55 55 LEU CA C 55 50.769 50.769 54.322 -3.554 18732 6707 1 21 . 1 1 55 55 LEU CB C 55 42.090 42.090 42.070 0.020 18732 6708 1 21 . 1 1 56 56 ARG N N 56 117.231 117.231 120.605 -3.374 18732 6709 1 21 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.675 0.682 18732 6710 1 21 . 1 1 56 56 ARG CA C 56 51.875 51.875 55.022 -3.147 18732 6711 1 21 . 1 1 56 56 ARG CB C 56 31.945 31.945 33.254 -1.309 18732 6712 1 21 . 1 1 57 57 GLU N N 57 128.411 128.411 128.817 -0.406 18732 6713 1 21 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.938 -0.247 18732 6714 1 21 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.186 -2.322 18732 6715 1 21 . 1 1 57 57 GLU CB C 57 29.942 29.942 31.893 -1.951 18732 6716 1 21 . 1 1 58 58 GLY N N 58 118.265 118.265 117.462 0.803 18732 6717 1 21 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.112 -2.169 18732 6718 1 21 . 1 1 59 59 SER N N 59 122.061 122.061 119.088 2.973 18732 6719 1 21 . 1 1 59 59 SER HA H 59 4.567 4.567 4.675 -0.108 18732 6720 1 21 . 1 1 59 59 SER CA C 59 55.730 55.730 58.368 -2.638 18732 6721 1 21 . 1 1 59 59 SER CB C 59 61.262 61.262 65.209 -3.947 18732 6722 1 21 . 1 1 60 60 LYS N N 60 124.154 124.154 123.268 0.886 18732 6723 1 21 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.563 0.057 18732 6724 1 21 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.232 -1.788 18732 6725 1 21 . 1 1 60 60 LYS CB C 60 32.144 32.144 34.978 -2.834 18732 6726 1 21 . 1 1 61 61 GLU N N 61 125.701 125.701 120.982 4.719 18732 6727 1 21 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.156 0.358 18732 6728 1 21 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.158 -3.052 18732 6729 1 21 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.750 -3.210 18732 6730 1 21 . 1 1 62 62 PHE N N 62 121.360 121.360 118.121 3.239 18732 6731 1 21 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.956 0.090 18732 6732 1 21 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.910 -2.547 18732 6733 1 21 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.557 -3.758 18732 6734 1 21 . 1 1 63 63 GLY N N 63 107.546 107.546 106.907 0.639 18732 6735 1 21 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.704 -2.072 18732 6736 1 21 . 1 1 64 64 VAL N N 64 115.031 115.031 116.778 -1.747 18732 6737 1 21 . 1 1 64 64 VAL HA H 64 5.020 5.020 5.216 -0.196 18732 6738 1 21 . 1 1 64 64 VAL CA C 64 57.030 57.030 58.865 -1.835 18732 6739 1 21 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.391 -1.239 18732 6740 1 21 . 1 1 65 65 PHE N N 65 122.208 122.208 118.092 4.116 18732 6741 1 21 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.758 -0.126 18732 6742 1 21 . 1 1 65 65 PHE CA C 65 54.000 54.000 55.837 -1.837 18732 6743 1 21 . 1 1 65 65 PHE CB C 65 39.295 39.295 43.388 -4.093 18732 6744 1 21 . 1 1 66 66 VAL N N 66 123.832 123.832 119.868 3.964 18732 6745 1 21 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.551 0.606 18732 6746 1 21 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.591 -2.957 18732 6747 1 21 . 1 1 66 66 VAL CB C 66 32.312 32.312 34.066 -1.754 18732 6748 1 21 . 1 1 67 67 THR N N 67 125.293 125.293 124.076 1.217 18732 6749 1 21 . 1 1 67 67 THR CA C 67 57.150 57.150 63.788 -6.638 18732 6750 1 21 . 1 1 67 67 THR CB C 67 67.050 67.050 69.257 -2.207 18732 6751 1 21 . 1 1 68 68 ILE N N 68 128.624 128.624 129.487 -0.863 18732 6752 1 21 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.316 0.547 18732 6753 1 21 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.550 -2.317 18732 6754 1 21 . 1 1 68 68 ILE CB C 68 39.314 39.314 39.259 0.055 18732 6755 1 21 . 1 1 69 69 SER N N 69 122.023 122.023 123.180 -1.157 18732 6756 1 21 . 1 1 69 69 SER HA H 69 5.804 5.804 5.172 0.632 18732 6757 1 21 . 1 1 69 69 SER CA C 69 53.530 53.530 57.193 -3.663 18732 6758 1 21 . 1 1 69 69 SER CB C 69 61.921 61.921 64.318 -2.397 18732 6759 1 21 . 1 1 70 70 PHE N N 70 123.800 123.800 121.011 2.789 18732 6760 1 21 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.572 -0.195 18732 6761 1 21 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.675 -2.532 18732 6762 1 21 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.541 -1.173 18732 6763 1 21 . 1 1 71 71 ASP N N 71 121.547 121.547 119.466 2.081 18732 6764 1 21 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.068 0.031 18732 6765 1 21 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.325 -2.103 18732 6766 1 21 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.472 -3.627 18732 6767 1 21 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.642 -0.277 18732 6768 1 21 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.133 -2.534 18732 6769 1 21 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.243 -2.577 18732 6770 1 21 . 1 1 73 73 TYR N N 73 118.085 118.085 120.500 -2.415 18732 6771 1 21 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.378 0.248 18732 6772 1 21 . 1 1 73 73 TYR CA C 73 57.330 57.330 59.878 -2.548 18732 6773 1 21 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.565 -2.985 18732 6774 1 21 . 1 1 74 74 SER N N 74 113.942 113.942 110.963 2.979 18732 6775 1 21 . 1 1 74 74 SER HA H 74 4.506 4.506 4.641 -0.135 18732 6776 1 21 . 1 1 74 74 SER CA C 74 56.253 56.253 58.230 -1.977 18732 6777 1 21 . 1 1 74 74 SER CB C 74 62.670 62.670 63.555 -0.885 18732 6778 1 21 . 1 1 75 75 GLN N N 75 115.717 115.717 118.361 -2.644 18732 6779 1 21 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.574 -0.330 18732 6780 1 21 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.144 -1.572 18732 6781 1 21 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.662 -3.039 18732 6782 1 21 . 1 1 76 76 LYS N N 76 119.205 119.205 120.605 -1.400 18732 6783 1 21 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.283 0.161 18732 6784 1 21 . 1 1 76 76 LYS CA C 76 54.013 54.013 56.430 -2.417 18732 6785 1 21 . 1 1 76 76 LYS CB C 76 31.375 31.375 32.766 -1.391 18732 6786 1 21 . 1 1 77 77 VAL N N 77 125.587 125.587 127.367 -1.780 18732 6787 1 21 . 1 1 77 77 VAL HA H 77 4.004 4.004 3.970 0.034 18732 6788 1 21 . 1 1 77 77 VAL CA C 77 61.558 61.558 63.132 -1.574 18732 6789 1 21 . 1 1 77 77 VAL CB C 77 30.401 30.401 30.328 0.073 18732 6790 1 21 . 1 1 78 78 ASN N N 78 126.604 126.604 129.219 -2.615 18732 6791 1 21 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.656 0.294 18732 6792 1 21 . 1 1 78 78 ASN CA C 78 51.577 51.577 55.209 -3.632 18732 6793 1 21 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.026 -1.665 18732 6794 1 21 . 1 1 79 79 LYS N N 79 118.463 118.463 117.930 0.533 18732 6795 1 21 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.639 -0.021 18732 6796 1 21 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.874 -2.302 18732 6797 1 21 . 1 1 79 79 LYS CB C 79 33.529 33.529 35.568 -2.039 18732 6798 1 21 . 1 1 80 80 ILE N N 80 123.294 123.294 124.305 -1.011 18732 6799 1 21 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.129 -0.058 18732 6800 1 21 . 1 1 80 80 ILE CA C 80 57.696 57.696 60.009 -2.313 18732 6801 1 21 . 1 1 80 80 ILE CB C 80 38.260 38.260 41.354 -3.094 18732 6802 1 21 . 1 1 81 81 ALA N N 81 130.466 130.466 129.362 1.104 18732 6803 1 21 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.795 0.241 18732 6804 1 21 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.193 -2.971 18732 6805 1 21 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.568 -2.494 18732 6806 1 21 . 1 1 82 82 ILE N N 82 122.249 122.249 119.631 2.618 18732 6807 1 21 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.739 0.503 18732 6808 1 21 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.936 -2.261 18732 6809 1 21 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.928 -4.136 18732 6810 1 21 . 1 1 83 83 LEU N N 83 129.605 129.605 124.948 4.657 18732 6811 1 21 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.969 -0.015 18732 6812 1 21 . 1 1 83 83 LEU CA C 83 51.332 51.332 54.060 -2.728 18732 6813 1 21 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.505 -3.030 18732 6814 1 21 . 1 1 84 84 GLU N N 84 125.594 125.594 124.232 1.362 18732 6815 1 21 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.796 -0.084 18732 6816 1 21 . 1 1 84 84 GLU CA C 84 54.390 54.390 54.873 -0.483 18732 6817 1 21 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.427 -5.305 18732 6818 1 21 . 1 1 85 85 GLU N N 85 123.904 123.904 127.949 -4.045 18732 6819 1 21 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.175 0.254 18732 6820 1 21 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.197 -2.301 18732 6821 1 21 . 1 1 85 85 GLU CB C 85 28.642 28.642 30.592 -1.950 18732 6822 1 21 . 1 1 86 86 TYR N N 86 123.323 123.323 122.489 0.834 18732 6823 1 21 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.724 -0.003 18732 6824 1 21 . 1 1 86 86 TYR CA C 86 53.909 53.909 56.252 -2.343 18732 6825 1 21 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.374 -2.778 18732 6826 1 22 . 1 1 2 2 GLU N N 2 120.598 120.598 122.234 -1.636 18732 6827 1 22 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.723 -1.758 18732 6828 1 22 . 1 1 2 2 GLU CB C 2 27.978 27.978 31.515 -3.537 18732 6829 1 22 . 1 1 3 3 GLU N N 3 120.984 120.984 120.533 0.451 18732 6830 1 22 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.290 -0.092 18732 6831 1 22 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.789 2.246 18732 6832 1 22 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.346 -0.078 18732 6833 1 22 . 1 1 4 4 THR N N 4 117.936 117.936 108.802 9.134 18732 6834 1 22 . 1 1 4 4 THR HA H 4 4.665 4.665 4.518 0.147 18732 6835 1 22 . 1 1 4 4 THR CA C 4 57.307 57.307 59.250 -1.943 18732 6836 1 22 . 1 1 4 4 THR CB C 4 67.215 67.215 70.282 -3.067 18732 6837 1 22 . 1 1 5 5 PRO CA C 5 60.740 60.740 62.879 -2.139 18732 6838 1 22 . 1 1 5 5 PRO CB C 5 29.700 29.700 30.288 -0.588 18732 6839 1 22 . 1 1 6 6 LEU N N 6 122.097 122.097 120.257 1.840 18732 6840 1 22 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.775 -0.394 18732 6841 1 22 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.556 -1.541 18732 6842 1 22 . 1 1 6 6 LEU CB C 6 40.054 40.054 42.143 -2.089 18732 6843 1 22 . 1 1 8 8 THR N N 8 116.987 116.987 116.544 0.443 18732 6844 1 22 . 1 1 8 8 THR HA H 8 4.348 4.348 4.394 -0.046 18732 6845 1 22 . 1 1 8 8 THR CA C 8 59.340 59.340 61.073 -1.733 18732 6846 1 22 . 1 1 8 8 THR CB C 8 67.234 67.234 72.198 -4.964 18732 6847 1 22 . 1 1 9 9 ALA N N 9 125.944 125.944 125.813 0.131 18732 6848 1 22 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.178 0.196 18732 6849 1 22 . 1 1 9 9 ALA CA C 9 50.009 50.009 53.407 -3.398 18732 6850 1 22 . 1 1 9 9 ALA CB C 9 16.807 16.807 19.053 -2.246 18732 6851 1 22 . 1 1 10 10 ARG N N 10 119.637 119.637 122.424 -2.787 18732 6852 1 22 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.699 -0.376 18732 6853 1 22 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.389 -1.857 18732 6854 1 22 . 1 1 10 10 ARG CB C 10 28.492 28.492 32.517 -4.025 18732 6855 1 22 . 1 1 11 11 HIS N N 11 119.667 119.667 119.436 0.231 18732 6856 1 22 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.788 -0.071 18732 6857 1 22 . 1 1 11 11 HIS CA C 11 52.790 52.790 56.111 -3.321 18732 6858 1 22 . 1 1 11 11 HIS CB C 11 27.033 27.033 31.102 -4.069 18732 6859 1 22 . 1 1 12 12 MET N N 12 122.280 122.280 122.470 -0.190 18732 6860 1 22 . 1 1 12 12 MET HA H 12 4.543 4.543 4.725 -0.182 18732 6861 1 22 . 1 1 12 12 MET CA C 12 53.058 53.058 56.081 -3.023 18732 6862 1 22 . 1 1 12 12 MET CB C 12 29.647 29.647 33.792 -4.145 18732 6863 1 22 . 1 1 13 13 SER N N 13 118.363 118.363 113.520 4.843 18732 6864 1 22 . 1 1 13 13 SER HA H 13 4.515 4.515 4.798 -0.283 18732 6865 1 22 . 1 1 13 13 SER CA C 13 55.083 55.083 57.659 -2.576 18732 6866 1 22 . 1 1 13 13 SER CB C 13 62.243 62.243 65.688 -3.445 18732 6867 1 22 . 1 1 14 14 LYS N N 14 123.039 123.039 124.008 -0.969 18732 6868 1 22 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.845 0.081 18732 6869 1 22 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.538 -2.658 18732 6870 1 22 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.745 -2.250 18732 6871 1 22 . 1 1 15 15 TRP N N 15 118.585 118.585 117.933 0.652 18732 6872 1 22 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.604 -0.225 18732 6873 1 22 . 1 1 15 15 TRP CA C 15 55.569 55.569 57.263 -1.694 18732 6874 1 22 . 1 1 15 15 TRP CB C 15 27.426 27.426 29.217 -1.791 18732 6875 1 22 . 1 1 16 16 GLU N N 16 119.418 119.418 120.353 -0.935 18732 6876 1 22 . 1 1 16 16 GLU HA H 16 2.976 2.976 2.751 0.225 18732 6877 1 22 . 1 1 16 16 GLU CA C 16 56.540 56.540 59.633 -3.093 18732 6878 1 22 . 1 1 16 16 GLU CB C 16 27.787 27.787 28.432 -0.645 18732 6879 1 22 . 1 1 17 17 GLU N N 17 117.377 117.377 119.290 -1.913 18732 6880 1 22 . 1 1 17 17 GLU HA H 17 3.910 3.910 3.998 -0.088 18732 6881 1 22 . 1 1 17 17 GLU CA C 17 56.898 56.898 58.901 -2.003 18732 6882 1 22 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.419 -2.566 18732 6883 1 22 . 1 1 18 18 ILE N N 18 119.807 119.807 120.188 -0.381 18732 6884 1 22 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.704 -0.036 18732 6885 1 22 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.054 -2.309 18732 6886 1 22 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.677 -2.014 18732 6887 1 22 . 1 1 19 19 ALA N N 19 121.744 121.744 123.199 -1.455 18732 6888 1 22 . 1 1 19 19 ALA HA H 19 3.955 3.955 3.984 -0.029 18732 6889 1 22 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.265 -1.822 18732 6890 1 22 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.126 -2.852 18732 6891 1 22 . 1 1 20 20 VAL N N 20 115.918 115.918 118.479 -2.561 18732 6892 1 22 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.400 -0.001 18732 6893 1 22 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.731 -2.401 18732 6894 1 22 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.530 -2.127 18732 6895 1 22 . 1 1 21 21 LYS N N 21 119.785 119.785 119.365 0.420 18732 6896 1 22 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.911 0.010 18732 6897 1 22 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.210 -2.768 18732 6898 1 22 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.122 1.390 18732 6899 1 22 . 1 1 22 22 GLU N N 22 118.955 118.955 119.142 -0.187 18732 6900 1 22 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.100 -0.031 18732 6901 1 22 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.524 -3.263 18732 6902 1 22 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.707 -3.611 18732 6903 1 22 . 1 1 23 23 ALA N N 23 122.253 122.253 119.529 2.724 18732 6904 1 22 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.385 -0.284 18732 6905 1 22 . 1 1 23 23 ALA CA C 23 53.226 53.226 53.973 -0.747 18732 6906 1 22 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.813 -3.304 18732 6907 1 22 . 1 1 24 24 LYS N N 24 116.889 116.889 116.738 0.151 18732 6908 1 22 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.332 -0.313 18732 6909 1 22 . 1 1 24 24 LYS CA C 24 55.745 55.745 58.387 -2.642 18732 6910 1 22 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.256 -4.071 18732 6911 1 22 . 1 1 25 25 LYS N N 25 117.772 117.772 120.639 -2.867 18732 6912 1 22 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.209 -0.186 18732 6913 1 22 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.642 -2.303 18732 6914 1 22 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.128 -1.926 18732 6915 1 22 . 1 1 26 26 ARG N N 26 117.176 117.176 119.262 -2.086 18732 6916 1 22 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.040 0.017 18732 6917 1 22 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.278 -3.287 18732 6918 1 22 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.595 -2.561 18732 6919 1 22 . 1 1 27 27 TYR N N 27 117.344 117.344 118.290 -0.946 18732 6920 1 22 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.872 0.210 18732 6921 1 22 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.330 -2.772 18732 6922 1 22 . 1 1 27 27 TYR CB C 27 35.987 35.987 39.225 -3.238 18732 6923 1 22 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.436 0.313 18732 6924 1 22 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.510 -2.117 18732 6925 1 22 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.201 -2.346 18732 6926 1 22 . 1 1 29 29 LEU N N 29 117.758 117.758 120.069 -2.311 18732 6927 1 22 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.141 0.448 18732 6928 1 22 . 1 1 29 29 LEU CA C 29 51.574 51.574 56.501 -4.927 18732 6929 1 22 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.754 -2.864 18732 6930 1 22 . 1 1 30 30 ALA N N 30 122.493 122.493 116.946 5.547 18732 6931 1 22 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.674 0.177 18732 6932 1 22 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.721 -1.865 18732 6933 1 22 . 1 1 30 30 ALA CB C 30 19.668 19.668 21.751 -2.083 18732 6934 1 22 . 1 1 31 31 GLN N N 31 118.936 118.936 115.943 2.993 18732 6935 1 22 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.723 -0.084 18732 6936 1 22 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.282 -3.011 18732 6937 1 22 . 1 1 31 31 GLN CB C 31 28.843 28.843 33.312 -4.469 18732 6938 1 22 . 1 1 32 32 VAL N N 32 123.815 123.815 120.148 3.667 18732 6939 1 22 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.461 0.204 18732 6940 1 22 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.922 -1.657 18732 6941 1 22 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.577 -3.699 18732 6942 1 22 . 1 1 33 33 LEU N N 33 128.709 128.709 122.065 6.644 18732 6943 1 22 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.761 -0.519 18732 6944 1 22 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.572 -1.189 18732 6945 1 22 . 1 1 33 33 LEU CB C 33 41.123 41.123 43.395 -2.272 18732 6946 1 22 . 1 1 34 34 PHE N N 34 114.779 114.779 120.516 -5.737 18732 6947 1 22 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.654 -0.748 18732 6948 1 22 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.846 -3.930 18732 6949 1 22 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.238 -2.585 18732 6950 1 22 . 1 1 35 35 LYS N N 35 120.077 120.077 123.449 -3.372 18732 6951 1 22 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.616 0.622 18732 6952 1 22 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.954 -3.657 18732 6953 1 22 . 1 1 35 35 LYS CB C 35 32.998 32.998 33.163 -0.165 18732 6954 1 22 . 1 1 36 36 GLN N N 36 119.491 119.491 123.593 -4.102 18732 6955 1 22 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.680 0.556 18732 6956 1 22 . 1 1 36 36 GLN CA C 36 52.197 52.197 55.005 -2.808 18732 6957 1 22 . 1 1 36 36 GLN CB C 36 30.609 30.609 32.740 -2.131 18732 6958 1 22 . 1 1 37 37 LYS N N 37 128.471 128.471 123.883 4.588 18732 6959 1 22 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.161 0.634 18732 6960 1 22 . 1 1 37 37 LYS CA C 37 54.661 54.661 57.006 -2.345 18732 6961 1 22 . 1 1 37 37 LYS CB C 37 31.273 31.273 32.998 -1.725 18732 6962 1 22 . 1 1 38 38 VAL N N 38 125.112 125.112 118.213 6.899 18732 6963 1 22 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.340 -0.003 18732 6964 1 22 . 1 1 38 38 VAL CA C 38 60.252 60.252 62.738 -2.486 18732 6965 1 22 . 1 1 38 38 VAL CB C 38 30.720 30.720 34.437 -3.717 18732 6966 1 22 . 1 1 39 39 TRP N N 39 123.085 123.085 120.848 2.237 18732 6967 1 22 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.874 -0.025 18732 6968 1 22 . 1 1 39 39 TRP CA C 39 54.206 54.206 57.471 -3.265 18732 6969 1 22 . 1 1 39 39 TRP CB C 39 30.461 30.461 32.410 -1.949 18732 6970 1 22 . 1 1 40 40 ASP N N 40 123.000 123.000 123.715 -0.715 18732 6971 1 22 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.785 0.343 18732 6972 1 22 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.581 -2.476 18732 6973 1 22 . 1 1 40 40 ASP CB C 40 41.077 41.077 42.167 -1.090 18732 6974 1 22 . 1 1 41 41 ARG N N 41 123.259 123.259 119.575 3.684 18732 6975 1 22 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.039 0.509 18732 6976 1 22 . 1 1 41 41 ARG CA C 41 52.623 52.623 56.133 -3.510 18732 6977 1 22 . 1 1 41 41 ARG CB C 41 31.417 31.417 31.018 0.399 18732 6978 1 22 . 1 1 42 42 LYS N N 42 124.798 124.798 117.059 7.739 18732 6979 1 22 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.382 0.306 18732 6980 1 22 . 1 1 42 42 LYS CA C 42 53.773 53.773 55.194 -1.421 18732 6981 1 22 . 1 1 42 42 LYS CB C 42 31.787 31.787 34.238 -2.451 18732 6982 1 22 . 1 1 43 43 ARG N N 43 124.461 124.461 120.507 3.954 18732 6983 1 22 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.407 0.242 18732 6984 1 22 . 1 1 43 43 ARG CA C 43 52.179 52.179 56.566 -4.387 18732 6985 1 22 . 1 1 43 43 ARG CB C 43 30.149 30.149 30.629 -0.480 18732 6986 1 22 . 1 1 44 44 LYS N N 44 121.297 121.297 119.732 1.565 18732 6987 1 22 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.152 -0.129 18732 6988 1 22 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.789 -2.153 18732 6989 1 22 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.190 -2.078 18732 6990 1 22 . 1 1 45 45 ASP N N 45 115.145 115.145 117.921 -2.776 18732 6991 1 22 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.752 -0.002 18732 6992 1 22 . 1 1 45 45 ASP CA C 45 51.100 51.100 54.566 -3.466 18732 6993 1 22 . 1 1 45 45 ASP CB C 45 38.693 38.693 40.345 -1.652 18732 6994 1 22 . 1 1 46 46 GLU N N 46 118.274 118.274 116.918 1.356 18732 6995 1 22 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.604 -0.137 18732 6996 1 22 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.389 -1.667 18732 6997 1 22 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.617 -3.547 18732 6998 1 22 . 1 1 47 47 ALA N N 47 127.506 127.506 122.846 4.660 18732 6999 1 22 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.486 0.208 18732 7000 1 22 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.683 -2.575 18732 7001 1 22 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.282 -3.440 18732 7002 1 22 . 1 1 48 48 VAL N N 48 118.088 118.088 115.310 2.778 18732 7003 1 22 . 1 1 48 48 VAL HA H 48 5.345 5.345 5.060 0.285 18732 7004 1 22 . 1 1 48 48 VAL CA C 48 57.625 57.625 61.719 -4.094 18732 7005 1 22 . 1 1 48 48 VAL CB C 48 33.496 33.496 34.276 -0.780 18732 7006 1 22 . 1 1 49 49 LYS N N 49 124.725 124.725 126.190 -1.465 18732 7007 1 22 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.934 0.423 18732 7008 1 22 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.044 -3.005 18732 7009 1 22 . 1 1 50 50 GLN N N 50 121.028 121.028 122.014 -0.986 18732 7010 1 22 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.720 0.266 18732 7011 1 22 . 1 1 50 50 GLN CA C 50 52.113 52.113 54.788 -2.675 18732 7012 1 22 . 1 1 50 50 GLN CB C 50 23.684 23.684 31.359 -7.675 18732 7013 1 22 . 1 1 51 51 TYR N N 51 124.549 124.549 116.980 7.569 18732 7014 1 22 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.832 0.386 18732 7015 1 22 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.536 -2.986 18732 7016 1 22 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.867 -2.587 18732 7017 1 22 . 1 1 52 52 HIS N N 52 121.301 121.301 122.207 -0.906 18732 7018 1 22 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.121 0.098 18732 7019 1 22 . 1 1 52 52 HIS CA C 52 51.708 51.708 54.498 -2.790 18732 7020 1 22 . 1 1 52 52 HIS CB C 52 28.907 28.907 30.946 -2.039 18732 7021 1 22 . 1 1 53 53 LEU N N 53 127.743 127.743 128.522 -0.779 18732 7022 1 22 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.547 0.661 18732 7023 1 22 . 1 1 53 53 LEU CA C 53 50.887 50.887 52.675 -1.788 18732 7024 1 22 . 1 1 53 53 LEU CB C 53 42.084 42.084 44.096 -2.012 18732 7025 1 22 . 1 1 54 54 THR N N 54 117.996 117.996 119.609 -1.613 18732 7026 1 22 . 1 1 54 54 THR HA H 54 4.600 4.600 4.126 0.474 18732 7027 1 22 . 1 1 54 54 THR CA C 54 59.774 59.774 61.989 -2.215 18732 7028 1 22 . 1 1 54 54 THR CB C 54 67.153 67.153 68.504 -1.351 18732 7029 1 22 . 1 1 55 55 LEU N N 55 129.329 129.329 126.838 2.491 18732 7030 1 22 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.951 0.123 18732 7031 1 22 . 1 1 55 55 LEU CA C 55 50.769 50.769 54.036 -3.268 18732 7032 1 22 . 1 1 55 55 LEU CB C 55 42.090 42.090 43.608 -1.518 18732 7033 1 22 . 1 1 56 56 ARG N N 56 117.231 117.231 119.961 -2.730 18732 7034 1 22 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.672 0.685 18732 7035 1 22 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.874 -2.999 18732 7036 1 22 . 1 1 56 56 ARG CB C 56 31.945 31.945 34.180 -2.235 18732 7037 1 22 . 1 1 57 57 GLU N N 57 128.411 128.411 127.144 1.267 18732 7038 1 22 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.754 -0.063 18732 7039 1 22 . 1 1 57 57 GLU CA C 57 52.864 52.864 54.879 -2.015 18732 7040 1 22 . 1 1 57 57 GLU CB C 57 29.942 29.942 32.529 -2.587 18732 7041 1 22 . 1 1 58 58 GLY N N 58 118.265 118.265 117.406 0.859 18732 7042 1 22 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.301 -2.358 18732 7043 1 22 . 1 1 59 59 SER N N 59 122.061 122.061 119.625 2.436 18732 7044 1 22 . 1 1 59 59 SER HA H 59 4.567 4.567 4.687 -0.120 18732 7045 1 22 . 1 1 59 59 SER CA C 59 55.730 55.730 57.733 -2.003 18732 7046 1 22 . 1 1 59 59 SER CB C 59 61.262 61.262 63.627 -2.365 18732 7047 1 22 . 1 1 60 60 LYS N N 60 124.154 124.154 122.054 2.100 18732 7048 1 22 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.654 -0.034 18732 7049 1 22 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.300 -1.856 18732 7050 1 22 . 1 1 60 60 LYS CB C 60 32.144 32.144 35.356 -3.212 18732 7051 1 22 . 1 1 61 61 GLU N N 61 125.701 125.701 122.023 3.678 18732 7052 1 22 . 1 1 61 61 GLU HA H 61 5.514 5.514 4.780 0.734 18732 7053 1 22 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.287 -3.181 18732 7054 1 22 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.159 -2.619 18732 7055 1 22 . 1 1 62 62 PHE N N 62 121.360 121.360 120.448 0.912 18732 7056 1 22 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.824 0.222 18732 7057 1 22 . 1 1 62 62 PHE CA C 62 53.363 53.363 56.217 -2.854 18732 7058 1 22 . 1 1 62 62 PHE CB C 62 37.799 37.799 40.450 -2.651 18732 7059 1 22 . 1 1 63 63 GLY N N 63 107.546 107.546 111.122 -3.576 18732 7060 1 22 . 1 1 63 63 GLY CA C 63 41.632 41.632 44.095 -2.463 18732 7061 1 22 . 1 1 64 64 VAL N N 64 115.031 115.031 113.966 1.065 18732 7062 1 22 . 1 1 64 64 VAL HA H 64 5.020 5.020 5.017 0.003 18732 7063 1 22 . 1 1 64 64 VAL CA C 64 57.030 57.030 58.898 -1.868 18732 7064 1 22 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.250 -1.098 18732 7065 1 22 . 1 1 65 65 PHE N N 65 122.208 122.208 117.435 4.773 18732 7066 1 22 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.447 0.185 18732 7067 1 22 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.454 -2.454 18732 7068 1 22 . 1 1 65 65 PHE CB C 65 39.295 39.295 42.876 -3.581 18732 7069 1 22 . 1 1 66 66 VAL N N 66 123.832 123.832 119.077 4.755 18732 7070 1 22 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.642 0.515 18732 7071 1 22 . 1 1 66 66 VAL CA C 66 58.634 58.634 60.605 -1.971 18732 7072 1 22 . 1 1 66 66 VAL CB C 66 32.312 32.312 34.147 -1.835 18732 7073 1 22 . 1 1 67 67 THR N N 67 125.293 125.293 119.317 5.976 18732 7074 1 22 . 1 1 67 67 THR CA C 67 57.150 57.150 60.669 -3.519 18732 7075 1 22 . 1 1 67 67 THR CB C 67 67.050 67.050 70.774 -3.724 18732 7076 1 22 . 1 1 68 68 ILE N N 68 128.624 128.624 129.064 -0.440 18732 7077 1 22 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.590 0.273 18732 7078 1 22 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.415 -2.182 18732 7079 1 22 . 1 1 68 68 ILE CB C 68 39.314 39.314 41.080 -1.766 18732 7080 1 22 . 1 1 69 69 SER N N 69 122.023 122.023 122.027 -0.004 18732 7081 1 22 . 1 1 69 69 SER HA H 69 5.804 5.804 5.317 0.487 18732 7082 1 22 . 1 1 69 69 SER CA C 69 53.530 53.530 56.617 -3.087 18732 7083 1 22 . 1 1 69 69 SER CB C 69 61.921 61.921 64.621 -2.700 18732 7084 1 22 . 1 1 70 70 PHE N N 70 123.800 123.800 122.239 1.561 18732 7085 1 22 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.621 -0.244 18732 7086 1 22 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.215 -2.072 18732 7087 1 22 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.674 -1.306 18732 7088 1 22 . 1 1 71 71 ASP N N 71 121.547 121.547 119.271 2.276 18732 7089 1 22 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.131 -0.032 18732 7090 1 22 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.127 -1.905 18732 7091 1 22 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.441 -3.596 18732 7092 1 22 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.581 -0.216 18732 7093 1 22 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.313 -2.714 18732 7094 1 22 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.191 -2.525 18732 7095 1 22 . 1 1 73 73 TYR N N 73 118.085 118.085 120.068 -1.983 18732 7096 1 22 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.402 0.224 18732 7097 1 22 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.207 -2.877 18732 7098 1 22 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.696 -3.116 18732 7099 1 22 . 1 1 74 74 SER N N 74 113.942 113.942 111.233 2.709 18732 7100 1 22 . 1 1 74 74 SER HA H 74 4.506 4.506 4.689 -0.183 18732 7101 1 22 . 1 1 74 74 SER CA C 74 56.253 56.253 58.257 -2.004 18732 7102 1 22 . 1 1 74 74 SER CB C 74 62.670 62.670 63.637 -0.967 18732 7103 1 22 . 1 1 75 75 GLN N N 75 115.717 115.717 117.748 -2.031 18732 7104 1 22 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.539 -0.295 18732 7105 1 22 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.377 -1.805 18732 7106 1 22 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.362 -2.739 18732 7107 1 22 . 1 1 76 76 LYS N N 76 119.205 119.205 120.054 -0.849 18732 7108 1 22 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.212 0.232 18732 7109 1 22 . 1 1 76 76 LYS CA C 76 54.013 54.013 56.605 -2.592 18732 7110 1 22 . 1 1 76 76 LYS CB C 76 31.375 31.375 32.162 -0.787 18732 7111 1 22 . 1 1 77 77 VAL N N 77 125.587 125.587 126.636 -1.049 18732 7112 1 22 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.009 -0.005 18732 7113 1 22 . 1 1 77 77 VAL CA C 77 61.558 61.558 62.843 -1.285 18732 7114 1 22 . 1 1 77 77 VAL CB C 77 30.401 30.401 30.037 0.364 18732 7115 1 22 . 1 1 78 78 ASN N N 78 126.604 126.604 126.991 -0.387 18732 7116 1 22 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.603 0.347 18732 7117 1 22 . 1 1 78 78 ASN CA C 78 51.577 51.577 55.234 -3.657 18732 7118 1 22 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.217 -1.856 18732 7119 1 22 . 1 1 79 79 LYS N N 79 118.463 118.463 116.789 1.674 18732 7120 1 22 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.648 -0.030 18732 7121 1 22 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.494 -1.922 18732 7122 1 22 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.154 -2.625 18732 7123 1 22 . 1 1 80 80 ILE N N 80 123.294 123.294 120.563 2.731 18732 7124 1 22 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.150 -0.079 18732 7125 1 22 . 1 1 80 80 ILE CA C 80 57.696 57.696 60.017 -2.321 18732 7126 1 22 . 1 1 80 80 ILE CB C 80 38.260 38.260 41.879 -3.619 18732 7127 1 22 . 1 1 81 81 ALA N N 81 130.466 130.466 127.711 2.755 18732 7128 1 22 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.718 0.318 18732 7129 1 22 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.133 -2.910 18732 7130 1 22 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.568 -2.494 18732 7131 1 22 . 1 1 82 82 ILE N N 82 122.249 122.249 119.869 2.380 18732 7132 1 22 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.636 0.606 18732 7133 1 22 . 1 1 82 82 ILE CA C 82 57.675 57.675 60.134 -2.459 18732 7134 1 22 . 1 1 82 82 ILE CB C 82 37.792 37.792 40.696 -2.904 18732 7135 1 22 . 1 1 83 83 LEU N N 83 129.605 129.605 127.502 2.103 18732 7136 1 22 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.992 -0.038 18732 7137 1 22 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.132 -1.800 18732 7138 1 22 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.071 -2.596 18732 7139 1 22 . 1 1 84 84 GLU N N 84 125.594 125.594 120.576 5.018 18732 7140 1 22 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.594 0.118 18732 7141 1 22 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.424 -1.034 18732 7142 1 22 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.243 -5.121 18732 7143 1 22 . 1 1 85 85 GLU N N 85 123.904 123.904 124.625 -0.721 18732 7144 1 22 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.403 0.026 18732 7145 1 22 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.278 -2.382 18732 7146 1 22 . 1 1 85 85 GLU CB C 85 28.642 28.642 30.975 -2.333 18732 7147 1 22 . 1 1 86 86 TYR N N 86 123.323 123.323 118.875 4.448 18732 7148 1 22 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.691 0.030 18732 7149 1 22 . 1 1 86 86 TYR CA C 86 53.909 53.909 57.280 -3.371 18732 7150 1 22 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.938 -3.342 18732 7151 1 23 . 1 1 2 2 GLU N N 2 120.598 120.598 120.903 -0.305 18732 7152 1 23 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.486 -1.521 18732 7153 1 23 . 1 1 2 2 GLU CB C 2 27.978 27.978 31.824 -3.846 18732 7154 1 23 . 1 1 3 3 GLU N N 3 120.984 120.984 119.184 1.800 18732 7155 1 23 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.358 -0.160 18732 7156 1 23 . 1 1 3 3 GLU CA C 3 60.035 60.035 56.456 3.579 18732 7157 1 23 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.933 -0.665 18732 7158 1 23 . 1 1 4 4 THR N N 4 117.936 117.936 109.248 8.688 18732 7159 1 23 . 1 1 4 4 THR HA H 4 4.665 4.665 4.264 0.401 18732 7160 1 23 . 1 1 4 4 THR CA C 4 57.307 57.307 58.668 -1.361 18732 7161 1 23 . 1 1 4 4 THR CB C 4 67.215 67.215 69.766 -2.551 18732 7162 1 23 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.915 -3.175 18732 7163 1 23 . 1 1 5 5 PRO CB C 5 29.700 29.700 31.988 -2.288 18732 7164 1 23 . 1 1 6 6 LEU N N 6 122.097 122.097 122.219 -0.122 18732 7165 1 23 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.476 -0.095 18732 7166 1 23 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.258 -1.243 18732 7167 1 23 . 1 1 6 6 LEU CB C 6 40.054 40.054 39.846 0.208 18732 7168 1 23 . 1 1 8 8 THR N N 8 116.987 116.987 112.394 4.593 18732 7169 1 23 . 1 1 8 8 THR HA H 8 4.348 4.348 4.375 -0.027 18732 7170 1 23 . 1 1 8 8 THR CA C 8 59.340 59.340 62.528 -3.188 18732 7171 1 23 . 1 1 8 8 THR CB C 8 67.234 67.234 68.669 -1.435 18732 7172 1 23 . 1 1 9 9 ALA N N 9 125.944 125.944 124.964 0.980 18732 7173 1 23 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.684 -0.310 18732 7174 1 23 . 1 1 9 9 ALA CA C 9 50.009 50.009 51.785 -1.776 18732 7175 1 23 . 1 1 9 9 ALA CB C 9 16.807 16.807 19.481 -2.674 18732 7176 1 23 . 1 1 10 10 ARG N N 10 119.637 119.637 121.776 -2.139 18732 7177 1 23 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.504 -0.181 18732 7178 1 23 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.764 -2.232 18732 7179 1 23 . 1 1 10 10 ARG CB C 10 28.492 28.492 30.290 -1.798 18732 7180 1 23 . 1 1 11 11 HIS N N 11 119.667 119.667 119.593 0.074 18732 7181 1 23 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.737 -0.020 18732 7182 1 23 . 1 1 11 11 HIS CA C 11 52.790 52.790 55.539 -2.749 18732 7183 1 23 . 1 1 11 11 HIS CB C 11 27.033 27.033 31.830 -4.797 18732 7184 1 23 . 1 1 12 12 MET N N 12 122.280 122.280 125.734 -3.454 18732 7185 1 23 . 1 1 12 12 MET HA H 12 4.543 4.543 4.538 0.005 18732 7186 1 23 . 1 1 12 12 MET CA C 12 53.058 53.058 54.329 -1.271 18732 7187 1 23 . 1 1 12 12 MET CB C 12 29.647 29.647 35.529 -5.881 18732 7188 1 23 . 1 1 13 13 SER N N 13 118.363 118.363 119.209 -0.846 18732 7189 1 23 . 1 1 13 13 SER HA H 13 4.515 4.515 4.534 -0.019 18732 7190 1 23 . 1 1 13 13 SER CA C 13 55.083 55.083 57.601 -2.518 18732 7191 1 23 . 1 1 13 13 SER CB C 13 62.243 62.243 64.636 -2.393 18732 7192 1 23 . 1 1 14 14 LYS N N 14 123.039 123.039 122.359 0.680 18732 7193 1 23 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.889 0.037 18732 7194 1 23 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.424 -2.544 18732 7195 1 23 . 1 1 14 14 LYS CB C 14 29.495 29.495 32.030 -2.535 18732 7196 1 23 . 1 1 15 15 TRP N N 15 118.585 118.585 115.927 2.658 18732 7197 1 23 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.887 -0.508 18732 7198 1 23 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.775 -1.206 18732 7199 1 23 . 1 1 15 15 TRP CB C 15 27.426 27.426 30.579 -3.153 18732 7200 1 23 . 1 1 16 16 GLU N N 16 119.418 119.418 121.494 -2.076 18732 7201 1 23 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.299 -0.323 18732 7202 1 23 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.277 -3.737 18732 7203 1 23 . 1 1 16 16 GLU CB C 16 27.787 27.787 29.072 -1.285 18732 7204 1 23 . 1 1 17 17 GLU N N 17 117.377 117.377 117.932 -0.555 18732 7205 1 23 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.023 -0.113 18732 7206 1 23 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.583 -2.685 18732 7207 1 23 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.554 -2.701 18732 7208 1 23 . 1 1 18 18 ILE N N 18 119.807 119.807 119.713 0.094 18732 7209 1 23 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.772 -0.104 18732 7210 1 23 . 1 1 18 18 ILE CA C 18 62.745 62.745 64.984 -2.239 18732 7211 1 23 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.730 -2.067 18732 7212 1 23 . 1 1 19 19 ALA N N 19 121.744 121.744 121.758 -0.014 18732 7213 1 23 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.107 -0.152 18732 7214 1 23 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.554 -2.111 18732 7215 1 23 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.281 -3.007 18732 7216 1 23 . 1 1 20 20 VAL N N 20 115.918 115.918 118.208 -2.290 18732 7217 1 23 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.613 -0.214 18732 7218 1 23 . 1 1 20 20 VAL CA C 20 64.329 64.329 65.964 -1.635 18732 7219 1 23 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.869 -2.465 18732 7220 1 23 . 1 1 21 21 LYS N N 21 119.785 119.785 118.394 1.391 18732 7221 1 23 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.994 -0.073 18732 7222 1 23 . 1 1 21 21 LYS CA C 21 57.442 57.442 59.607 -2.165 18732 7223 1 23 . 1 1 21 21 LYS CB C 21 33.512 33.512 31.893 1.619 18732 7224 1 23 . 1 1 22 22 GLU N N 22 118.955 118.955 120.189 -1.234 18732 7225 1 23 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.111 -0.042 18732 7226 1 23 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.451 -3.190 18732 7227 1 23 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.554 -3.458 18732 7228 1 23 . 1 1 23 23 ALA N N 23 122.253 122.253 118.767 3.486 18732 7229 1 23 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.396 -0.295 18732 7230 1 23 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.031 -0.805 18732 7231 1 23 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.524 -3.015 18732 7232 1 23 . 1 1 24 24 LYS N N 24 116.889 116.889 114.332 2.557 18732 7233 1 23 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.555 -0.536 18732 7234 1 23 . 1 1 24 24 LYS CA C 24 55.745 55.745 57.337 -1.592 18732 7235 1 23 . 1 1 24 24 LYS CB C 24 29.185 29.185 34.079 -4.894 18732 7236 1 23 . 1 1 25 25 LYS N N 25 117.772 117.772 121.924 -4.152 18732 7237 1 23 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.171 -0.148 18732 7238 1 23 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.708 -2.368 18732 7239 1 23 . 1 1 25 25 LYS CB C 25 30.202 30.202 31.873 -1.671 18732 7240 1 23 . 1 1 26 26 ARG N N 26 117.176 117.176 119.145 -1.969 18732 7241 1 23 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.031 0.026 18732 7242 1 23 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.477 -3.486 18732 7243 1 23 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.570 -2.536 18732 7244 1 23 . 1 1 27 27 TYR N N 27 117.344 117.344 117.991 -0.647 18732 7245 1 23 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.954 0.128 18732 7246 1 23 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.144 -2.586 18732 7247 1 23 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.745 -2.758 18732 7248 1 23 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.400 0.349 18732 7249 1 23 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.595 -2.202 18732 7250 1 23 . 1 1 28 28 PRO CB C 28 29.855 29.855 31.891 -2.036 18732 7251 1 23 . 1 1 29 29 LEU N N 29 117.758 117.758 117.534 0.224 18732 7252 1 23 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.555 0.034 18732 7253 1 23 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.872 -3.298 18732 7254 1 23 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.472 -2.582 18732 7255 1 23 . 1 1 30 30 ALA N N 30 122.493 122.493 119.441 3.052 18732 7256 1 23 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.901 -0.050 18732 7257 1 23 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.973 -2.118 18732 7258 1 23 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.414 -2.746 18732 7259 1 23 . 1 1 31 31 GLN N N 31 118.936 118.936 118.674 0.262 18732 7260 1 23 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.654 -0.015 18732 7261 1 23 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.623 -3.352 18732 7262 1 23 . 1 1 31 31 GLN CB C 31 28.843 28.843 31.551 -2.708 18732 7263 1 23 . 1 1 32 32 VAL N N 32 123.815 123.815 125.754 -1.939 18732 7264 1 23 . 1 1 32 32 VAL HA H 32 4.665 4.665 3.912 0.753 18732 7265 1 23 . 1 1 32 32 VAL CA C 32 60.265 60.265 62.888 -2.623 18732 7266 1 23 . 1 1 32 32 VAL CB C 32 28.878 28.878 31.900 -3.022 18732 7267 1 23 . 1 1 33 33 LEU N N 33 128.709 128.709 128.874 -0.165 18732 7268 1 23 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.565 -0.323 18732 7269 1 23 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.753 -1.370 18732 7270 1 23 . 1 1 33 33 LEU CB C 33 41.123 41.123 43.194 -2.071 18732 7271 1 23 . 1 1 34 34 PHE N N 34 114.779 114.779 117.618 -2.839 18732 7272 1 23 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.733 -0.827 18732 7273 1 23 . 1 1 34 34 PHE CA C 34 53.915 53.915 56.468 -2.553 18732 7274 1 23 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.069 -2.416 18732 7275 1 23 . 1 1 35 35 LYS N N 35 120.077 120.077 121.009 -0.932 18732 7276 1 23 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.658 0.580 18732 7277 1 23 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.917 -3.620 18732 7278 1 23 . 1 1 35 35 LYS CB C 35 32.998 32.998 33.559 -0.562 18732 7279 1 23 . 1 1 36 36 GLN N N 36 119.491 119.491 122.939 -3.448 18732 7280 1 23 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.833 0.403 18732 7281 1 23 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.477 -2.280 18732 7282 1 23 . 1 1 36 36 GLN CB C 36 30.609 30.609 33.732 -3.123 18732 7283 1 23 . 1 1 37 37 LYS N N 37 128.471 128.471 121.461 7.010 18732 7284 1 23 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.368 0.427 18732 7285 1 23 . 1 1 37 37 LYS CA C 37 54.661 54.661 56.239 -1.579 18732 7286 1 23 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.724 -2.451 18732 7287 1 23 . 1 1 38 38 VAL N N 38 125.112 125.112 116.456 8.656 18732 7288 1 23 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.427 -0.090 18732 7289 1 23 . 1 1 38 38 VAL CA C 38 60.252 60.252 60.017 0.235 18732 7290 1 23 . 1 1 38 38 VAL CB C 38 30.720 30.720 34.499 -3.779 18732 7291 1 23 . 1 1 39 39 TRP N N 39 123.085 123.085 123.403 -0.318 18732 7292 1 23 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.436 0.413 18732 7293 1 23 . 1 1 39 39 TRP CA C 39 54.206 54.206 58.896 -4.690 18732 7294 1 23 . 1 1 39 39 TRP CB C 39 30.461 30.461 30.064 0.397 18732 7295 1 23 . 1 1 40 40 ASP N N 40 123.000 123.000 126.304 -3.304 18732 7296 1 23 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.504 0.624 18732 7297 1 23 . 1 1 40 40 ASP CA C 40 51.105 51.105 52.909 -1.804 18732 7298 1 23 . 1 1 40 40 ASP CB C 40 41.077 41.077 43.885 -2.808 18732 7299 1 23 . 1 1 41 41 ARG N N 41 123.259 123.259 121.359 1.900 18732 7300 1 23 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.256 0.292 18732 7301 1 23 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.445 -1.822 18732 7302 1 23 . 1 1 41 41 ARG CB C 41 31.417 31.417 32.938 -1.521 18732 7303 1 23 . 1 1 42 42 LYS N N 42 124.798 124.798 122.999 1.799 18732 7304 1 23 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.353 0.335 18732 7305 1 23 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.799 -1.026 18732 7306 1 23 . 1 1 42 42 LYS CB C 42 31.787 31.787 35.365 -3.578 18732 7307 1 23 . 1 1 43 43 ARG N N 43 124.461 124.461 121.071 3.390 18732 7308 1 23 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.678 -0.029 18732 7309 1 23 . 1 1 43 43 ARG CA C 43 52.179 52.179 53.703 -1.524 18732 7310 1 23 . 1 1 43 43 ARG CB C 43 30.149 30.149 30.605 -0.456 18732 7311 1 23 . 1 1 44 44 LYS N N 44 121.297 121.297 120.499 0.798 18732 7312 1 23 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.122 -0.099 18732 7313 1 23 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.607 -1.971 18732 7314 1 23 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.514 -2.402 18732 7315 1 23 . 1 1 45 45 ASP N N 45 115.145 115.145 117.234 -2.089 18732 7316 1 23 . 1 1 45 45 ASP HA H 45 4.750 4.750 5.142 -0.392 18732 7317 1 23 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.900 -2.800 18732 7318 1 23 . 1 1 45 45 ASP CB C 45 38.693 38.693 40.605 -1.913 18732 7319 1 23 . 1 1 46 46 GLU N N 46 118.274 118.274 117.395 0.879 18732 7320 1 23 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.516 -0.049 18732 7321 1 23 . 1 1 46 46 GLU CA C 46 53.722 53.722 56.233 -2.511 18732 7322 1 23 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.293 -3.223 18732 7323 1 23 . 1 1 47 47 ALA N N 47 127.506 127.506 121.105 6.401 18732 7324 1 23 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.627 0.067 18732 7325 1 23 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.445 -2.337 18732 7326 1 23 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.017 -3.175 18732 7327 1 23 . 1 1 48 48 VAL N N 48 118.088 118.088 118.474 -0.386 18732 7328 1 23 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.461 0.884 18732 7329 1 23 . 1 1 48 48 VAL CA C 48 57.625 57.625 61.318 -3.693 18732 7330 1 23 . 1 1 48 48 VAL CB C 48 33.496 33.496 34.299 -0.803 18732 7331 1 23 . 1 1 49 49 LYS N N 49 124.725 124.725 128.866 -4.141 18732 7332 1 23 . 1 1 49 49 LYS HA H 49 5.357 5.357 5.080 0.277 18732 7333 1 23 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.849 -3.810 18732 7334 1 23 . 1 1 50 50 GLN N N 50 121.028 121.028 121.869 -0.841 18732 7335 1 23 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.686 0.300 18732 7336 1 23 . 1 1 50 50 GLN CA C 50 52.113 52.113 53.662 -1.549 18732 7337 1 23 . 1 1 50 50 GLN CB C 50 23.684 23.684 31.245 -7.561 18732 7338 1 23 . 1 1 51 51 TYR N N 51 124.549 124.549 115.846 8.703 18732 7339 1 23 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.947 0.271 18732 7340 1 23 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.355 -2.805 18732 7341 1 23 . 1 1 51 51 TYR CB C 51 40.280 40.280 43.238 -2.958 18732 7342 1 23 . 1 1 52 52 HIS N N 52 121.301 121.301 121.212 0.089 18732 7343 1 23 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.326 -0.107 18732 7344 1 23 . 1 1 52 52 HIS CA C 52 51.708 51.708 54.293 -2.585 18732 7345 1 23 . 1 1 52 52 HIS CB C 52 28.907 28.907 32.187 -3.280 18732 7346 1 23 . 1 1 53 53 LEU N N 53 127.743 127.743 127.509 0.234 18732 7347 1 23 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.737 0.471 18732 7348 1 23 . 1 1 53 53 LEU CA C 53 50.887 50.887 53.125 -2.238 18732 7349 1 23 . 1 1 53 53 LEU CB C 53 42.084 42.084 45.037 -2.953 18732 7350 1 23 . 1 1 54 54 THR N N 54 117.996 117.996 118.805 -0.809 18732 7351 1 23 . 1 1 54 54 THR HA H 54 4.600 4.600 4.401 0.199 18732 7352 1 23 . 1 1 54 54 THR CA C 54 59.774 59.774 62.413 -2.639 18732 7353 1 23 . 1 1 54 54 THR CB C 54 67.153 67.153 68.899 -1.746 18732 7354 1 23 . 1 1 55 55 LEU N N 55 129.329 129.329 127.569 1.760 18732 7355 1 23 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.685 0.389 18732 7356 1 23 . 1 1 55 55 LEU CA C 55 50.769 50.769 54.380 -3.611 18732 7357 1 23 . 1 1 55 55 LEU CB C 55 42.090 42.090 43.030 -0.940 18732 7358 1 23 . 1 1 56 56 ARG N N 56 117.231 117.231 118.878 -1.647 18732 7359 1 23 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.623 0.734 18732 7360 1 23 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.798 -2.923 18732 7361 1 23 . 1 1 56 56 ARG CB C 56 31.945 31.945 33.943 -1.998 18732 7362 1 23 . 1 1 57 57 GLU N N 57 128.411 128.411 128.042 0.369 18732 7363 1 23 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.789 -0.098 18732 7364 1 23 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.037 -2.173 18732 7365 1 23 . 1 1 57 57 GLU CB C 57 29.942 29.942 32.512 -2.570 18732 7366 1 23 . 1 1 58 58 GLY N N 58 118.265 118.265 116.799 1.466 18732 7367 1 23 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.428 -2.485 18732 7368 1 23 . 1 1 59 59 SER N N 59 122.061 122.061 119.072 2.989 18732 7369 1 23 . 1 1 59 59 SER HA H 59 4.567 4.567 4.677 -0.110 18732 7370 1 23 . 1 1 59 59 SER CA C 59 55.730 55.730 57.861 -2.131 18732 7371 1 23 . 1 1 59 59 SER CB C 59 61.262 61.262 64.563 -3.301 18732 7372 1 23 . 1 1 60 60 LYS N N 60 124.154 124.154 123.146 1.008 18732 7373 1 23 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.555 0.065 18732 7374 1 23 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.275 -1.831 18732 7375 1 23 . 1 1 60 60 LYS CB C 60 32.144 32.144 34.623 -2.479 18732 7376 1 23 . 1 1 61 61 GLU N N 61 125.701 125.701 122.703 2.998 18732 7377 1 23 . 1 1 61 61 GLU HA H 61 5.514 5.514 4.600 0.914 18732 7378 1 23 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.375 -3.269 18732 7379 1 23 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.287 -2.747 18732 7380 1 23 . 1 1 62 62 PHE N N 62 121.360 121.360 118.987 2.373 18732 7381 1 23 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.864 0.182 18732 7382 1 23 . 1 1 62 62 PHE CA C 62 53.363 53.363 56.137 -2.774 18732 7383 1 23 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.099 -3.300 18732 7384 1 23 . 1 1 63 63 GLY N N 63 107.546 107.546 107.687 -0.141 18732 7385 1 23 . 1 1 63 63 GLY CA C 63 41.632 41.632 44.360 -2.728 18732 7386 1 23 . 1 1 64 64 VAL N N 64 115.031 115.031 119.387 -4.356 18732 7387 1 23 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.601 0.419 18732 7388 1 23 . 1 1 64 64 VAL CA C 64 57.030 57.030 58.875 -1.845 18732 7389 1 23 . 1 1 64 64 VAL CB C 64 34.152 34.152 34.081 0.071 18732 7390 1 23 . 1 1 65 65 PHE N N 65 122.208 122.208 124.214 -2.006 18732 7391 1 23 . 1 1 65 65 PHE HA H 65 5.632 5.632 4.820 0.812 18732 7392 1 23 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.725 -2.725 18732 7393 1 23 . 1 1 65 65 PHE CB C 65 39.295 39.295 39.475 -0.180 18732 7394 1 23 . 1 1 66 66 VAL N N 66 123.832 123.832 125.736 -1.904 18732 7395 1 23 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.024 1.133 18732 7396 1 23 . 1 1 66 66 VAL CA C 66 58.634 58.634 63.617 -4.983 18732 7397 1 23 . 1 1 66 66 VAL CB C 66 32.312 32.312 31.579 0.733 18732 7398 1 23 . 1 1 67 67 THR N N 67 125.293 125.293 124.151 1.142 18732 7399 1 23 . 1 1 67 67 THR CA C 67 57.150 57.150 61.696 -4.546 18732 7400 1 23 . 1 1 67 67 THR CB C 67 67.050 67.050 69.451 -2.401 18732 7401 1 23 . 1 1 68 68 ILE N N 68 128.624 128.624 127.960 0.664 18732 7402 1 23 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.372 0.491 18732 7403 1 23 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.625 -2.392 18732 7404 1 23 . 1 1 68 68 ILE CB C 68 39.314 39.314 39.982 -0.668 18732 7405 1 23 . 1 1 69 69 SER N N 69 122.023 122.023 121.038 0.985 18732 7406 1 23 . 1 1 69 69 SER HA H 69 5.804 5.804 5.365 0.439 18732 7407 1 23 . 1 1 69 69 SER CA C 69 53.530 53.530 56.890 -3.360 18732 7408 1 23 . 1 1 69 69 SER CB C 69 61.921 61.921 65.274 -3.353 18732 7409 1 23 . 1 1 70 70 PHE N N 70 123.800 123.800 120.145 3.655 18732 7410 1 23 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.488 -0.111 18732 7411 1 23 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.915 -2.772 18732 7412 1 23 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.734 -1.366 18732 7413 1 23 . 1 1 71 71 ASP N N 71 121.547 121.547 121.227 0.320 18732 7414 1 23 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.053 0.046 18732 7415 1 23 . 1 1 71 71 ASP CA C 71 48.222 48.222 52.282 -4.060 18732 7416 1 23 . 1 1 71 71 ASP CB C 71 40.845 40.845 42.922 -2.077 18732 7417 1 23 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.570 -0.205 18732 7418 1 23 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.157 -2.558 18732 7419 1 23 . 1 1 72 72 PRO CB C 72 29.666 29.666 31.774 -2.108 18732 7420 1 23 . 1 1 73 73 TYR N N 73 118.085 118.085 119.888 -1.803 18732 7421 1 23 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.275 0.351 18732 7422 1 23 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.250 -2.920 18732 7423 1 23 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.379 -2.799 18732 7424 1 23 . 1 1 74 74 SER N N 74 113.942 113.942 109.975 3.967 18732 7425 1 23 . 1 1 74 74 SER HA H 74 4.506 4.506 4.655 -0.149 18732 7426 1 23 . 1 1 74 74 SER CA C 74 56.253 56.253 58.018 -1.765 18732 7427 1 23 . 1 1 74 74 SER CB C 74 62.670 62.670 64.746 -2.075 18732 7428 1 23 . 1 1 75 75 GLN N N 75 115.717 115.717 118.778 -3.061 18732 7429 1 23 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.480 -0.236 18732 7430 1 23 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.393 -1.821 18732 7431 1 23 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.416 -2.793 18732 7432 1 23 . 1 1 76 76 LYS N N 76 119.205 119.205 120.345 -1.140 18732 7433 1 23 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.371 0.073 18732 7434 1 23 . 1 1 76 76 LYS CA C 76 54.013 54.013 56.244 -2.231 18732 7435 1 23 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.043 -1.668 18732 7436 1 23 . 1 1 77 77 VAL N N 77 125.587 125.587 128.283 -2.696 18732 7437 1 23 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.157 -0.153 18732 7438 1 23 . 1 1 77 77 VAL CA C 77 61.558 61.558 63.605 -2.047 18732 7439 1 23 . 1 1 77 77 VAL CB C 77 30.401 30.401 31.107 -0.706 18732 7440 1 23 . 1 1 78 78 ASN N N 78 126.604 126.604 127.212 -0.608 18732 7441 1 23 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.712 0.238 18732 7442 1 23 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.883 -3.306 18732 7443 1 23 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.446 -2.085 18732 7444 1 23 . 1 1 79 79 LYS N N 79 118.463 118.463 117.088 1.375 18732 7445 1 23 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.608 0.010 18732 7446 1 23 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.642 -2.070 18732 7447 1 23 . 1 1 79 79 LYS CB C 79 33.529 33.529 35.533 -2.004 18732 7448 1 23 . 1 1 80 80 ILE N N 80 123.294 123.294 119.282 4.012 18732 7449 1 23 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.216 -0.145 18732 7450 1 23 . 1 1 80 80 ILE CA C 80 57.696 57.696 60.258 -2.562 18732 7451 1 23 . 1 1 80 80 ILE CB C 80 38.260 38.260 42.652 -4.392 18732 7452 1 23 . 1 1 81 81 ALA N N 81 130.466 130.466 126.966 3.500 18732 7453 1 23 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.862 0.174 18732 7454 1 23 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.151 -2.929 18732 7455 1 23 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.569 -2.495 18732 7456 1 23 . 1 1 82 82 ILE N N 82 122.249 122.249 119.441 2.808 18732 7457 1 23 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.579 0.663 18732 7458 1 23 . 1 1 82 82 ILE CA C 82 57.675 57.675 60.163 -2.488 18732 7459 1 23 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.178 -3.386 18732 7460 1 23 . 1 1 83 83 LEU N N 83 129.605 129.605 125.996 3.609 18732 7461 1 23 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.949 0.005 18732 7462 1 23 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.727 -2.395 18732 7463 1 23 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.475 -3.000 18732 7464 1 23 . 1 1 84 84 GLU N N 84 125.594 125.594 123.056 2.538 18732 7465 1 23 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.657 0.055 18732 7466 1 23 . 1 1 84 84 GLU CA C 84 54.390 54.390 54.910 -0.520 18732 7467 1 23 . 1 1 84 84 GLU CB C 84 28.122 28.122 32.863 -4.741 18732 7468 1 23 . 1 1 85 85 GLU N N 85 123.904 123.904 127.562 -3.658 18732 7469 1 23 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.007 0.422 18732 7470 1 23 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.179 -2.283 18732 7471 1 23 . 1 1 85 85 GLU CB C 85 28.642 28.642 30.631 -1.989 18732 7472 1 23 . 1 1 86 86 TYR N N 86 123.323 123.323 118.843 4.480 18732 7473 1 23 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.668 0.053 18732 7474 1 23 . 1 1 86 86 TYR CA C 86 53.909 53.909 56.931 -3.022 18732 7475 1 23 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.441 -2.845 18732 7476 1 24 . 1 1 2 2 GLU N N 2 120.598 120.598 121.451 -0.853 18732 7477 1 24 . 1 1 2 2 GLU CA C 2 53.965 53.965 56.336 -2.371 18732 7478 1 24 . 1 1 2 2 GLU CB C 2 27.978 27.978 32.307 -4.329 18732 7479 1 24 . 1 1 3 3 GLU N N 3 120.984 120.984 120.157 0.827 18732 7480 1 24 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.345 -0.147 18732 7481 1 24 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.998 2.037 18732 7482 1 24 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.133 0.135 18732 7483 1 24 . 1 1 4 4 THR N N 4 117.936 117.936 107.625 10.311 18732 7484 1 24 . 1 1 4 4 THR HA H 4 4.665 4.665 4.533 0.132 18732 7485 1 24 . 1 1 4 4 THR CA C 4 57.307 57.307 58.544 -1.238 18732 7486 1 24 . 1 1 4 4 THR CB C 4 67.215 67.215 70.696 -3.481 18732 7487 1 24 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.725 -2.985 18732 7488 1 24 . 1 1 5 5 PRO CB C 5 29.700 29.700 31.879 -2.179 18732 7489 1 24 . 1 1 6 6 LEU N N 6 122.097 122.097 119.090 3.007 18732 7490 1 24 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.491 -0.110 18732 7491 1 24 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.316 -1.301 18732 7492 1 24 . 1 1 6 6 LEU CB C 6 40.054 40.054 39.645 0.409 18732 7493 1 24 . 1 1 8 8 THR N N 8 116.987 116.987 115.130 1.857 18732 7494 1 24 . 1 1 8 8 THR HA H 8 4.348 4.348 4.433 -0.085 18732 7495 1 24 . 1 1 8 8 THR CA C 8 59.340 59.340 61.776 -2.436 18732 7496 1 24 . 1 1 8 8 THR CB C 8 67.234 67.234 69.503 -2.269 18732 7497 1 24 . 1 1 9 9 ALA N N 9 125.944 125.944 126.635 -0.691 18732 7498 1 24 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.393 -0.019 18732 7499 1 24 . 1 1 9 9 ALA CA C 9 50.009 50.009 51.973 -1.964 18732 7500 1 24 . 1 1 9 9 ALA CB C 9 16.807 16.807 18.335 -1.528 18732 7501 1 24 . 1 1 10 10 ARG N N 10 119.637 119.637 123.477 -3.840 18732 7502 1 24 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.302 0.021 18732 7503 1 24 . 1 1 10 10 ARG CA C 10 53.532 53.532 56.063 -2.531 18732 7504 1 24 . 1 1 10 10 ARG CB C 10 28.492 28.492 30.840 -2.348 18732 7505 1 24 . 1 1 11 11 HIS N N 11 119.667 119.667 121.869 -2.202 18732 7506 1 24 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.322 0.395 18732 7507 1 24 . 1 1 11 11 HIS CA C 11 52.790 52.790 56.585 -3.795 18732 7508 1 24 . 1 1 11 11 HIS CB C 11 27.033 27.033 29.989 -2.956 18732 7509 1 24 . 1 1 12 12 MET N N 12 122.280 122.280 120.301 1.979 18732 7510 1 24 . 1 1 12 12 MET HA H 12 4.543 4.543 4.724 -0.181 18732 7511 1 24 . 1 1 12 12 MET CA C 12 53.058 53.058 54.179 -1.121 18732 7512 1 24 . 1 1 12 12 MET CB C 12 29.647 29.647 35.274 -5.627 18732 7513 1 24 . 1 1 13 13 SER N N 13 118.363 118.363 115.422 2.941 18732 7514 1 24 . 1 1 13 13 SER HA H 13 4.515 4.515 4.526 -0.011 18732 7515 1 24 . 1 1 13 13 SER CA C 13 55.083 55.083 58.147 -3.064 18732 7516 1 24 . 1 1 13 13 SER CB C 13 62.243 62.243 64.052 -1.809 18732 7517 1 24 . 1 1 14 14 LYS N N 14 123.039 123.039 124.190 -1.151 18732 7518 1 24 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.893 0.033 18732 7519 1 24 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.498 -2.618 18732 7520 1 24 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.900 -2.405 18732 7521 1 24 . 1 1 15 15 TRP N N 15 118.585 118.585 116.905 1.680 18732 7522 1 24 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.922 -0.543 18732 7523 1 24 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.430 -0.861 18732 7524 1 24 . 1 1 15 15 TRP CB C 15 27.426 27.426 30.001 -2.575 18732 7525 1 24 . 1 1 16 16 GLU N N 16 119.418 119.418 120.760 -1.342 18732 7526 1 24 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.389 -0.413 18732 7527 1 24 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.177 -3.637 18732 7528 1 24 . 1 1 16 16 GLU CB C 16 27.787 27.787 28.955 -1.168 18732 7529 1 24 . 1 1 17 17 GLU N N 17 117.377 117.377 118.277 -0.900 18732 7530 1 24 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.099 -0.189 18732 7531 1 24 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.116 -2.218 18732 7532 1 24 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.375 -2.522 18732 7533 1 24 . 1 1 18 18 ILE N N 18 119.807 119.807 120.410 -0.603 18732 7534 1 24 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.743 -0.075 18732 7535 1 24 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.504 -2.759 18732 7536 1 24 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.862 -2.200 18732 7537 1 24 . 1 1 19 19 ALA N N 19 121.744 121.744 122.815 -1.071 18732 7538 1 24 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.046 -0.091 18732 7539 1 24 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.490 -2.047 18732 7540 1 24 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.368 -3.094 18732 7541 1 24 . 1 1 20 20 VAL N N 20 115.918 115.918 118.455 -2.537 18732 7542 1 24 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.605 -0.206 18732 7543 1 24 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.849 -2.520 18732 7544 1 24 . 1 1 20 20 VAL CB C 20 29.404 29.404 30.989 -1.585 18732 7545 1 24 . 1 1 21 21 LYS N N 21 119.785 119.785 120.073 -0.288 18732 7546 1 24 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.973 -0.052 18732 7547 1 24 . 1 1 21 21 LYS CA C 21 57.442 57.442 59.925 -2.483 18732 7548 1 24 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.256 1.256 18732 7549 1 24 . 1 1 22 22 GLU N N 22 118.955 118.955 119.265 -0.310 18732 7550 1 24 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.052 0.017 18732 7551 1 24 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.550 -3.289 18732 7552 1 24 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.505 -3.409 18732 7553 1 24 . 1 1 23 23 ALA N N 23 122.253 122.253 121.026 1.227 18732 7554 1 24 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.342 -0.241 18732 7555 1 24 . 1 1 23 23 ALA CA C 23 53.226 53.226 55.165 -1.939 18732 7556 1 24 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.684 -3.175 18732 7557 1 24 . 1 1 24 24 LYS N N 24 116.889 116.889 115.136 1.753 18732 7558 1 24 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.234 -0.215 18732 7559 1 24 . 1 1 24 24 LYS CA C 24 55.745 55.745 58.290 -2.545 18732 7560 1 24 . 1 1 24 24 LYS CB C 24 29.185 29.185 32.630 -3.445 18732 7561 1 24 . 1 1 25 25 LYS N N 25 117.772 117.772 116.772 1.000 18732 7562 1 24 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.421 -0.399 18732 7563 1 24 . 1 1 25 25 LYS CA C 25 56.340 56.340 57.274 -0.934 18732 7564 1 24 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.482 -2.280 18732 7565 1 24 . 1 1 26 26 ARG N N 26 117.176 117.176 119.644 -2.468 18732 7566 1 24 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.091 -0.034 18732 7567 1 24 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.588 -3.597 18732 7568 1 24 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.532 -2.498 18732 7569 1 24 . 1 1 27 27 TYR N N 27 117.344 117.344 117.263 0.081 18732 7570 1 24 . 1 1 27 27 TYR HA H 27 5.082 5.082 5.007 0.075 18732 7571 1 24 . 1 1 27 27 TYR CA C 27 52.558 52.558 54.424 -1.866 18732 7572 1 24 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.167 -2.180 18732 7573 1 24 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.439 0.310 18732 7574 1 24 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.744 -2.351 18732 7575 1 24 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.205 -2.350 18732 7576 1 24 . 1 1 29 29 LEU N N 29 117.758 117.758 117.214 0.544 18732 7577 1 24 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.447 0.142 18732 7578 1 24 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.447 -2.873 18732 7579 1 24 . 1 1 29 29 LEU CB C 29 38.890 38.890 42.189 -3.299 18732 7580 1 24 . 1 1 30 30 ALA N N 30 122.493 122.493 118.794 3.699 18732 7581 1 24 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.945 -0.094 18732 7582 1 24 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.635 -1.780 18732 7583 1 24 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.144 -2.476 18732 7584 1 24 . 1 1 31 31 GLN N N 31 118.936 118.936 117.154 1.782 18732 7585 1 24 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.737 -0.098 18732 7586 1 24 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.135 -2.864 18732 7587 1 24 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.709 -3.866 18732 7588 1 24 . 1 1 32 32 VAL N N 32 123.815 123.815 123.894 -0.079 18732 7589 1 24 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.341 0.324 18732 7590 1 24 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.837 -1.572 18732 7591 1 24 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.541 -3.663 18732 7592 1 24 . 1 1 33 33 LEU N N 33 128.709 128.709 130.137 -1.428 18732 7593 1 24 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.395 -0.153 18732 7594 1 24 . 1 1 33 33 LEU CA C 33 53.383 53.383 56.086 -2.703 18732 7595 1 24 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.507 -1.384 18732 7596 1 24 . 1 1 34 34 PHE N N 34 114.779 114.779 118.169 -3.390 18732 7597 1 24 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.578 -0.672 18732 7598 1 24 . 1 1 34 34 PHE CA C 34 53.915 53.915 56.858 -2.943 18732 7599 1 24 . 1 1 34 34 PHE CB C 34 40.653 40.653 42.528 -1.875 18732 7600 1 24 . 1 1 35 35 LYS N N 35 120.077 120.077 118.145 1.932 18732 7601 1 24 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.503 0.735 18732 7602 1 24 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.891 -3.594 18732 7603 1 24 . 1 1 35 35 LYS CB C 35 32.998 32.998 32.575 0.423 18732 7604 1 24 . 1 1 36 36 GLN N N 36 119.491 119.491 123.220 -3.729 18732 7605 1 24 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.717 0.519 18732 7606 1 24 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.282 -2.085 18732 7607 1 24 . 1 1 36 36 GLN CB C 36 30.609 30.609 34.227 -3.618 18732 7608 1 24 . 1 1 37 37 LYS N N 37 128.471 128.471 121.816 6.655 18732 7609 1 24 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.368 0.427 18732 7610 1 24 . 1 1 37 37 LYS CA C 37 54.661 54.661 57.410 -2.748 18732 7611 1 24 . 1 1 37 37 LYS CB C 37 31.273 31.273 32.934 -1.661 18732 7612 1 24 . 1 1 38 38 VAL N N 38 125.112 125.112 115.260 9.852 18732 7613 1 24 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.702 -0.365 18732 7614 1 24 . 1 1 38 38 VAL CA C 38 60.252 60.252 60.601 -0.349 18732 7615 1 24 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.452 -2.732 18732 7616 1 24 . 1 1 39 39 TRP N N 39 123.085 123.085 124.142 -1.057 18732 7617 1 24 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.504 0.345 18732 7618 1 24 . 1 1 39 39 TRP CA C 39 54.206 54.206 58.894 -4.688 18732 7619 1 24 . 1 1 39 39 TRP CB C 39 30.461 30.461 29.854 0.607 18732 7620 1 24 . 1 1 40 40 ASP N N 40 123.000 123.000 123.344 -0.344 18732 7621 1 24 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.348 0.780 18732 7622 1 24 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.184 -2.079 18732 7623 1 24 . 1 1 40 40 ASP CB C 40 41.077 41.077 43.156 -2.079 18732 7624 1 24 . 1 1 41 41 ARG N N 41 123.259 123.259 121.492 1.767 18732 7625 1 24 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.260 0.288 18732 7626 1 24 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.418 -1.795 18732 7627 1 24 . 1 1 41 41 ARG CB C 41 31.417 31.417 32.944 -1.527 18732 7628 1 24 . 1 1 42 42 LYS N N 42 124.798 124.798 121.331 3.467 18732 7629 1 24 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.544 0.144 18732 7630 1 24 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.705 -0.932 18732 7631 1 24 . 1 1 42 42 LYS CB C 42 31.787 31.787 34.461 -2.674 18732 7632 1 24 . 1 1 43 43 ARG N N 43 124.461 124.461 120.582 3.879 18732 7633 1 24 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.713 -0.064 18732 7634 1 24 . 1 1 43 43 ARG CA C 43 52.179 52.179 55.229 -3.050 18732 7635 1 24 . 1 1 43 43 ARG CB C 43 30.149 30.149 31.031 -0.882 18732 7636 1 24 . 1 1 44 44 LYS N N 44 121.297 121.297 120.416 0.881 18732 7637 1 24 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.144 -0.121 18732 7638 1 24 . 1 1 44 44 LYS CA C 44 56.636 56.636 59.233 -2.597 18732 7639 1 24 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.345 -2.233 18732 7640 1 24 . 1 1 45 45 ASP N N 45 115.145 115.145 111.923 3.222 18732 7641 1 24 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.705 0.045 18732 7642 1 24 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.613 -2.513 18732 7643 1 24 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.751 -3.058 18732 7644 1 24 . 1 1 46 46 GLU N N 46 118.274 118.274 117.994 0.280 18732 7645 1 24 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.836 -0.369 18732 7646 1 24 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.104 -1.382 18732 7647 1 24 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.411 -3.341 18732 7648 1 24 . 1 1 47 47 ALA N N 47 127.506 127.506 121.489 6.017 18732 7649 1 24 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.556 0.138 18732 7650 1 24 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.530 -2.422 18732 7651 1 24 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.154 -3.312 18732 7652 1 24 . 1 1 48 48 VAL N N 48 118.088 118.088 113.430 4.658 18732 7653 1 24 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.804 0.541 18732 7654 1 24 . 1 1 48 48 VAL CA C 48 57.625 57.625 61.062 -3.437 18732 7655 1 24 . 1 1 48 48 VAL CB C 48 33.496 33.496 34.797 -1.301 18732 7656 1 24 . 1 1 49 49 LYS N N 49 124.725 124.725 125.485 -0.760 18732 7657 1 24 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.650 0.707 18732 7658 1 24 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.455 -3.416 18732 7659 1 24 . 1 1 50 50 GLN N N 50 121.028 121.028 118.032 2.996 18732 7660 1 24 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.552 0.434 18732 7661 1 24 . 1 1 50 50 GLN CA C 50 52.113 52.113 53.440 -1.327 18732 7662 1 24 . 1 1 50 50 GLN CB C 50 23.684 23.684 30.406 -6.722 18732 7663 1 24 . 1 1 51 51 TYR N N 51 124.549 124.549 114.841 9.708 18732 7664 1 24 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.900 0.318 18732 7665 1 24 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.352 -2.802 18732 7666 1 24 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.972 -2.692 18732 7667 1 24 . 1 1 52 52 HIS N N 52 121.301 121.301 120.720 0.581 18732 7668 1 24 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.177 0.042 18732 7669 1 24 . 1 1 52 52 HIS CA C 52 51.708 51.708 53.996 -2.288 18732 7670 1 24 . 1 1 52 52 HIS CB C 52 28.907 28.907 31.841 -2.934 18732 7671 1 24 . 1 1 53 53 LEU N N 53 127.743 127.743 126.501 1.242 18732 7672 1 24 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.977 0.231 18732 7673 1 24 . 1 1 53 53 LEU CA C 53 50.887 50.887 52.945 -2.058 18732 7674 1 24 . 1 1 53 53 LEU CB C 53 42.084 42.084 45.211 -3.127 18732 7675 1 24 . 1 1 54 54 THR N N 54 117.996 117.996 114.367 3.629 18732 7676 1 24 . 1 1 54 54 THR HA H 54 4.600 4.600 4.483 0.117 18732 7677 1 24 . 1 1 54 54 THR CA C 54 59.774 59.774 60.370 -0.596 18732 7678 1 24 . 1 1 54 54 THR CB C 54 67.153 67.153 70.225 -3.072 18732 7679 1 24 . 1 1 55 55 LEU N N 55 129.329 129.329 122.584 6.745 18732 7680 1 24 . 1 1 55 55 LEU HA H 55 5.074 5.074 5.017 0.057 18732 7681 1 24 . 1 1 55 55 LEU CA C 55 50.769 50.769 52.324 -1.555 18732 7682 1 24 . 1 1 55 55 LEU CB C 55 42.090 42.090 44.134 -2.044 18732 7683 1 24 . 1 1 56 56 ARG N N 56 117.231 117.231 120.727 -3.496 18732 7684 1 24 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.767 0.590 18732 7685 1 24 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.408 -2.533 18732 7686 1 24 . 1 1 56 56 ARG CB C 56 31.945 31.945 32.752 -0.807 18732 7687 1 24 . 1 1 57 57 GLU N N 57 128.411 128.411 129.528 -1.117 18732 7688 1 24 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.571 0.120 18732 7689 1 24 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.812 -2.948 18732 7690 1 24 . 1 1 57 57 GLU CB C 57 29.942 29.942 30.815 -0.873 18732 7691 1 24 . 1 1 58 58 GLY N N 58 118.265 118.265 116.994 1.271 18732 7692 1 24 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.272 -2.329 18732 7693 1 24 . 1 1 59 59 SER N N 59 122.061 122.061 119.212 2.849 18732 7694 1 24 . 1 1 59 59 SER HA H 59 4.567 4.567 4.521 0.046 18732 7695 1 24 . 1 1 59 59 SER CA C 59 55.730 55.730 58.341 -2.611 18732 7696 1 24 . 1 1 59 59 SER CB C 59 61.262 61.262 64.038 -2.776 18732 7697 1 24 . 1 1 60 60 LYS N N 60 124.154 124.154 123.922 0.232 18732 7698 1 24 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.379 0.241 18732 7699 1 24 . 1 1 60 60 LYS CA C 60 53.444 53.444 56.815 -3.371 18732 7700 1 24 . 1 1 60 60 LYS CB C 60 32.144 32.144 33.951 -1.807 18732 7701 1 24 . 1 1 61 61 GLU N N 61 125.701 125.701 121.723 3.978 18732 7702 1 24 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.237 0.277 18732 7703 1 24 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.186 -3.080 18732 7704 1 24 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.498 -2.958 18732 7705 1 24 . 1 1 62 62 PHE N N 62 121.360 121.360 119.843 1.517 18732 7706 1 24 . 1 1 62 62 PHE HA H 62 5.046 5.046 5.000 0.046 18732 7707 1 24 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.608 -2.245 18732 7708 1 24 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.999 -4.200 18732 7709 1 24 . 1 1 63 63 GLY N N 63 107.546 107.546 108.699 -1.153 18732 7710 1 24 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.864 -2.232 18732 7711 1 24 . 1 1 64 64 VAL N N 64 115.031 115.031 117.537 -2.506 18732 7712 1 24 . 1 1 64 64 VAL HA H 64 5.020 5.020 5.056 -0.036 18732 7713 1 24 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.129 -2.099 18732 7714 1 24 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.180 -1.028 18732 7715 1 24 . 1 1 65 65 PHE N N 65 122.208 122.208 125.087 -2.879 18732 7716 1 24 . 1 1 65 65 PHE HA H 65 5.632 5.632 4.864 0.768 18732 7717 1 24 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.997 -2.997 18732 7718 1 24 . 1 1 65 65 PHE CB C 65 39.295 39.295 39.821 -0.526 18732 7719 1 24 . 1 1 66 66 VAL N N 66 123.832 123.832 125.928 -2.096 18732 7720 1 24 . 1 1 66 66 VAL HA H 66 5.157 5.157 3.995 1.162 18732 7721 1 24 . 1 1 66 66 VAL CA C 66 58.634 58.634 64.275 -5.641 18732 7722 1 24 . 1 1 66 66 VAL CB C 66 32.312 32.312 32.279 0.033 18732 7723 1 24 . 1 1 67 67 THR N N 67 125.293 125.293 124.141 1.152 18732 7724 1 24 . 1 1 67 67 THR CA C 67 57.150 57.150 61.571 -4.421 18732 7725 1 24 . 1 1 67 67 THR CB C 67 67.050 67.050 68.810 -1.760 18732 7726 1 24 . 1 1 68 68 ILE N N 68 128.624 128.624 128.601 0.023 18732 7727 1 24 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.268 0.595 18732 7728 1 24 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.714 -2.481 18732 7729 1 24 . 1 1 68 68 ILE CB C 68 39.314 39.314 38.554 0.759 18732 7730 1 24 . 1 1 69 69 SER N N 69 122.023 122.023 122.776 -0.753 18732 7731 1 24 . 1 1 69 69 SER HA H 69 5.804 5.804 4.777 1.027 18732 7732 1 24 . 1 1 69 69 SER CA C 69 53.530 53.530 58.679 -5.149 18732 7733 1 24 . 1 1 69 69 SER CB C 69 61.921 61.921 64.038 -2.117 18732 7734 1 24 . 1 1 70 70 PHE N N 70 123.800 123.800 122.519 1.281 18732 7735 1 24 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.331 0.046 18732 7736 1 24 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.242 -2.099 18732 7737 1 24 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.949 -1.581 18732 7738 1 24 . 1 1 71 71 ASP N N 71 121.547 121.547 120.044 1.503 18732 7739 1 24 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.006 0.093 18732 7740 1 24 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.400 -2.178 18732 7741 1 24 . 1 1 71 71 ASP CB C 71 40.845 40.845 43.758 -2.913 18732 7742 1 24 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.509 -0.144 18732 7743 1 24 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.220 -2.621 18732 7744 1 24 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.113 -2.447 18732 7745 1 24 . 1 1 73 73 TYR N N 73 118.085 118.085 120.528 -2.443 18732 7746 1 24 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.367 0.259 18732 7747 1 24 . 1 1 73 73 TYR CA C 73 57.330 57.330 58.986 -1.657 18732 7748 1 24 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.282 -2.702 18732 7749 1 24 . 1 1 74 74 SER N N 74 113.942 113.942 111.174 2.768 18732 7750 1 24 . 1 1 74 74 SER HA H 74 4.506 4.506 4.600 -0.094 18732 7751 1 24 . 1 1 74 74 SER CA C 74 56.253 56.253 57.950 -1.697 18732 7752 1 24 . 1 1 74 74 SER CB C 74 62.670 62.670 63.996 -1.327 18732 7753 1 24 . 1 1 75 75 GLN N N 75 115.717 115.717 119.885 -4.168 18732 7754 1 24 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.656 -0.412 18732 7755 1 24 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.294 -1.722 18732 7756 1 24 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.910 -3.287 18732 7757 1 24 . 1 1 76 76 LYS N N 76 119.205 119.205 121.809 -2.604 18732 7758 1 24 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.629 -0.185 18732 7759 1 24 . 1 1 76 76 LYS CA C 76 54.013 54.013 55.095 -1.082 18732 7760 1 24 . 1 1 76 76 LYS CB C 76 31.375 31.375 34.207 -2.832 18732 7761 1 24 . 1 1 77 77 VAL N N 77 125.587 125.587 127.587 -2.000 18732 7762 1 24 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.048 -0.044 18732 7763 1 24 . 1 1 77 77 VAL CA C 77 61.558 61.558 63.127 -1.569 18732 7764 1 24 . 1 1 77 77 VAL CB C 77 30.401 30.401 31.794 -1.393 18732 7765 1 24 . 1 1 78 78 ASN N N 78 126.604 126.604 128.053 -1.449 18732 7766 1 24 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.641 0.309 18732 7767 1 24 . 1 1 78 78 ASN CA C 78 51.577 51.577 55.132 -3.555 18732 7768 1 24 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.190 -1.829 18732 7769 1 24 . 1 1 79 79 LYS N N 79 118.463 118.463 117.438 1.025 18732 7770 1 24 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.645 -0.027 18732 7771 1 24 . 1 1 79 79 LYS CA C 79 53.572 53.572 54.748 -1.177 18732 7772 1 24 . 1 1 79 79 LYS CB C 79 33.529 33.529 35.936 -2.407 18732 7773 1 24 . 1 1 80 80 ILE N N 80 123.294 123.294 120.512 2.782 18732 7774 1 24 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.182 -0.111 18732 7775 1 24 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.783 -2.087 18732 7776 1 24 . 1 1 80 80 ILE CB C 80 38.260 38.260 40.750 -2.490 18732 7777 1 24 . 1 1 81 81 ALA N N 81 130.466 130.466 128.198 2.268 18732 7778 1 24 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.810 0.226 18732 7779 1 24 . 1 1 81 81 ALA CA C 81 48.222 48.222 50.806 -2.584 18732 7780 1 24 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.529 -2.455 18732 7781 1 24 . 1 1 82 82 ILE N N 82 122.249 122.249 118.858 3.391 18732 7782 1 24 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.493 0.749 18732 7783 1 24 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.715 -2.040 18732 7784 1 24 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.418 -3.626 18732 7785 1 24 . 1 1 83 83 LEU N N 83 129.605 129.605 125.678 3.927 18732 7786 1 24 . 1 1 83 83 LEU HA H 83 4.954 4.954 5.004 -0.050 18732 7787 1 24 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.854 -2.522 18732 7788 1 24 . 1 1 83 83 LEU CB C 83 43.475 43.475 45.792 -2.317 18732 7789 1 24 . 1 1 84 84 GLU N N 84 125.594 125.594 124.484 1.110 18732 7790 1 24 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.807 -0.095 18732 7791 1 24 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.039 -0.649 18732 7792 1 24 . 1 1 84 84 GLU CB C 84 28.122 28.122 32.916 -4.793 18732 7793 1 24 . 1 1 85 85 GLU N N 85 123.904 123.904 127.450 -3.546 18732 7794 1 24 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.142 0.287 18732 7795 1 24 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.282 -2.386 18732 7796 1 24 . 1 1 85 85 GLU CB C 85 28.642 28.642 31.182 -2.540 18732 7797 1 24 . 1 1 86 86 TYR N N 86 123.323 123.323 120.071 3.252 18732 7798 1 24 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.739 -0.018 18732 7799 1 24 . 1 1 86 86 TYR CA C 86 53.909 53.909 56.868 -2.959 18732 7800 1 24 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.408 -2.812 18732 7801 1 25 . 1 1 2 2 GLU N N 2 120.598 120.598 120.743 -0.145 18732 7802 1 25 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.466 -1.501 18732 7803 1 25 . 1 1 2 2 GLU CB C 2 27.978 27.978 30.979 -3.001 18732 7804 1 25 . 1 1 3 3 GLU N N 3 120.984 120.984 117.417 3.567 18732 7805 1 25 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.392 -0.194 18732 7806 1 25 . 1 1 3 3 GLU CA C 3 60.035 60.035 56.496 3.539 18732 7807 1 25 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.994 -0.726 18732 7808 1 25 . 1 1 4 4 THR N N 4 117.936 117.936 108.398 9.538 18732 7809 1 25 . 1 1 4 4 THR HA H 4 4.665 4.665 4.418 0.247 18732 7810 1 25 . 1 1 4 4 THR CA C 4 57.307 57.307 59.491 -2.184 18732 7811 1 25 . 1 1 4 4 THR CB C 4 67.215 67.215 70.395 -3.180 18732 7812 1 25 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.584 -2.844 18732 7813 1 25 . 1 1 5 5 PRO CB C 5 29.700 29.700 32.231 -2.531 18732 7814 1 25 . 1 1 6 6 LEU N N 6 122.097 122.097 121.205 0.892 18732 7815 1 25 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.387 -0.006 18732 7816 1 25 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.323 -1.308 18732 7817 1 25 . 1 1 6 6 LEU CB C 6 40.054 40.054 40.142 -0.088 18732 7818 1 25 . 1 1 8 8 THR N N 8 116.987 116.987 115.416 1.571 18732 7819 1 25 . 1 1 8 8 THR HA H 8 4.348 4.348 4.437 -0.089 18732 7820 1 25 . 1 1 8 8 THR CA C 8 59.340 59.340 60.597 -1.257 18732 7821 1 25 . 1 1 8 8 THR CB C 8 67.234 67.234 71.029 -3.795 18732 7822 1 25 . 1 1 9 9 ALA N N 9 125.944 125.944 125.526 0.418 18732 7823 1 25 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.180 0.194 18732 7824 1 25 . 1 1 9 9 ALA CA C 9 50.009 50.009 53.167 -3.158 18732 7825 1 25 . 1 1 9 9 ALA CB C 9 16.807 16.807 18.082 -1.275 18732 7826 1 25 . 1 1 10 10 ARG N N 10 119.637 119.637 123.556 -3.919 18732 7827 1 25 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.449 -0.126 18732 7828 1 25 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.093 -1.561 18732 7829 1 25 . 1 1 10 10 ARG CB C 10 28.492 28.492 32.515 -4.023 18732 7830 1 25 . 1 1 11 11 HIS N N 11 119.667 119.667 124.687 -5.020 18732 7831 1 25 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.565 0.152 18732 7832 1 25 . 1 1 11 11 HIS CA C 11 52.790 52.790 56.486 -3.696 18732 7833 1 25 . 1 1 11 11 HIS CB C 11 27.033 27.033 30.709 -3.676 18732 7834 1 25 . 1 1 12 12 MET N N 12 122.280 122.280 125.156 -2.876 18732 7835 1 25 . 1 1 12 12 MET HA H 12 4.543 4.543 4.517 0.026 18732 7836 1 25 . 1 1 12 12 MET CA C 12 53.058 53.058 55.082 -2.024 18732 7837 1 25 . 1 1 12 12 MET CB C 12 29.647 29.647 33.585 -3.938 18732 7838 1 25 . 1 1 13 13 SER N N 13 118.363 118.363 115.885 2.478 18732 7839 1 25 . 1 1 13 13 SER HA H 13 4.515 4.515 4.656 -0.141 18732 7840 1 25 . 1 1 13 13 SER CA C 13 55.083 55.083 58.350 -3.267 18732 7841 1 25 . 1 1 13 13 SER CB C 13 62.243 62.243 64.331 -2.088 18732 7842 1 25 . 1 1 14 14 LYS N N 14 123.039 123.039 125.789 -2.750 18732 7843 1 25 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.937 -0.011 18732 7844 1 25 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.747 -2.867 18732 7845 1 25 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.924 -2.429 18732 7846 1 25 . 1 1 15 15 TRP N N 15 118.585 118.585 117.585 1.000 18732 7847 1 25 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.632 -0.253 18732 7848 1 25 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.867 -1.298 18732 7849 1 25 . 1 1 15 15 TRP CB C 15 27.426 27.426 29.475 -2.049 18732 7850 1 25 . 1 1 16 16 GLU N N 16 119.418 119.418 120.010 -0.592 18732 7851 1 25 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.297 -0.321 18732 7852 1 25 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.274 -3.734 18732 7853 1 25 . 1 1 16 16 GLU CB C 16 27.787 27.787 29.094 -1.307 18732 7854 1 25 . 1 1 17 17 GLU N N 17 117.377 117.377 118.029 -0.652 18732 7855 1 25 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.003 -0.093 18732 7856 1 25 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.279 -2.381 18732 7857 1 25 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.310 -2.457 18732 7858 1 25 . 1 1 18 18 ILE N N 18 119.807 119.807 119.850 -0.043 18732 7859 1 25 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.716 -0.048 18732 7860 1 25 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.508 -2.763 18732 7861 1 25 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.804 -2.141 18732 7862 1 25 . 1 1 19 19 ALA N N 19 121.744 121.744 122.938 -1.194 18732 7863 1 25 . 1 1 19 19 ALA HA H 19 3.955 3.955 3.954 0.001 18732 7864 1 25 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.293 -1.850 18732 7865 1 25 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.052 -2.777 18732 7866 1 25 . 1 1 20 20 VAL N N 20 115.918 115.918 118.506 -2.588 18732 7867 1 25 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.544 -0.145 18732 7868 1 25 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.806 -2.477 18732 7869 1 25 . 1 1 20 20 VAL CB C 20 29.404 29.404 30.866 -1.462 18732 7870 1 25 . 1 1 21 21 LYS N N 21 119.785 119.785 120.305 -0.520 18732 7871 1 25 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.915 0.006 18732 7872 1 25 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.147 -2.705 18732 7873 1 25 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.240 1.272 18732 7874 1 25 . 1 1 22 22 GLU N N 22 118.955 118.955 118.347 0.608 18732 7875 1 25 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.126 -0.057 18732 7876 1 25 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.163 -2.902 18732 7877 1 25 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.455 -3.359 18732 7878 1 25 . 1 1 23 23 ALA N N 23 122.253 122.253 121.123 1.130 18732 7879 1 25 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.280 -0.179 18732 7880 1 25 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.770 -1.544 18732 7881 1 25 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.857 -3.348 18732 7882 1 25 . 1 1 24 24 LYS N N 24 116.889 116.889 115.092 1.797 18732 7883 1 25 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.376 -0.357 18732 7884 1 25 . 1 1 24 24 LYS CA C 24 55.745 55.745 57.386 -1.641 18732 7885 1 25 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.127 -3.942 18732 7886 1 25 . 1 1 25 25 LYS N N 25 117.772 117.772 118.091 -0.319 18732 7887 1 25 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.419 -0.396 18732 7888 1 25 . 1 1 25 25 LYS CA C 25 56.340 56.340 57.418 -1.078 18732 7889 1 25 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.585 -2.383 18732 7890 1 25 . 1 1 26 26 ARG N N 26 117.176 117.176 120.483 -3.307 18732 7891 1 25 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.156 -0.099 18732 7892 1 25 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.798 -3.807 18732 7893 1 25 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.405 -2.371 18732 7894 1 25 . 1 1 27 27 TYR N N 27 117.344 117.344 117.218 0.126 18732 7895 1 25 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.944 0.138 18732 7896 1 25 . 1 1 27 27 TYR CA C 27 52.558 52.558 54.660 -2.102 18732 7897 1 25 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.633 -2.646 18732 7898 1 25 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.304 0.445 18732 7899 1 25 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.967 -2.574 18732 7900 1 25 . 1 1 28 28 PRO CB C 28 29.855 29.855 31.758 -1.903 18732 7901 1 25 . 1 1 29 29 LEU N N 29 117.758 117.758 117.260 0.498 18732 7902 1 25 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.612 -0.023 18732 7903 1 25 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.491 -2.917 18732 7904 1 25 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.447 -2.557 18732 7905 1 25 . 1 1 30 30 ALA N N 30 122.493 122.493 119.217 3.276 18732 7906 1 25 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.976 -0.125 18732 7907 1 25 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.874 -2.019 18732 7908 1 25 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.137 -2.469 18732 7909 1 25 . 1 1 31 31 GLN N N 31 118.936 118.936 118.497 0.439 18732 7910 1 25 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.682 -0.043 18732 7911 1 25 . 1 1 31 31 GLN CA C 31 51.271 51.271 53.404 -2.133 18732 7912 1 25 . 1 1 31 31 GLN CB C 31 28.843 28.843 31.837 -2.994 18732 7913 1 25 . 1 1 32 32 VAL N N 32 123.815 123.815 122.679 1.136 18732 7914 1 25 . 1 1 32 32 VAL HA H 32 4.665 4.665 3.895 0.770 18732 7915 1 25 . 1 1 32 32 VAL CA C 32 60.265 60.265 62.914 -2.649 18732 7916 1 25 . 1 1 32 32 VAL CB C 32 28.878 28.878 31.764 -2.886 18732 7917 1 25 . 1 1 33 33 LEU N N 33 128.709 128.709 125.836 2.873 18732 7918 1 25 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.772 -0.530 18732 7919 1 25 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.239 -0.856 18732 7920 1 25 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.250 -1.127 18732 7921 1 25 . 1 1 34 34 PHE N N 34 114.779 114.779 118.965 -4.186 18732 7922 1 25 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.561 -0.655 18732 7923 1 25 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.168 -3.253 18732 7924 1 25 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.069 -2.416 18732 7925 1 25 . 1 1 35 35 LYS N N 35 120.077 120.077 121.588 -1.511 18732 7926 1 25 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.660 0.578 18732 7927 1 25 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.502 -3.205 18732 7928 1 25 . 1 1 35 35 LYS CB C 35 32.998 32.998 32.999 -0.001 18732 7929 1 25 . 1 1 36 36 GLN N N 36 119.491 119.491 122.796 -3.305 18732 7930 1 25 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.942 0.294 18732 7931 1 25 . 1 1 36 36 GLN CA C 36 52.197 52.197 55.069 -2.872 18732 7932 1 25 . 1 1 36 36 GLN CB C 36 30.609 30.609 33.195 -2.586 18732 7933 1 25 . 1 1 37 37 LYS N N 37 128.471 128.471 122.344 6.127 18732 7934 1 25 . 1 1 37 37 LYS HA H 37 4.795 4.795 3.933 0.862 18732 7935 1 25 . 1 1 37 37 LYS CA C 37 54.661 54.661 56.510 -1.849 18732 7936 1 25 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.016 -1.743 18732 7937 1 25 . 1 1 38 38 VAL N N 38 125.112 125.112 110.512 14.600 18732 7938 1 25 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.517 -0.180 18732 7939 1 25 . 1 1 38 38 VAL CA C 38 60.252 60.252 62.115 -1.863 18732 7940 1 25 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.356 -2.636 18732 7941 1 25 . 1 1 39 39 TRP N N 39 123.085 123.085 121.964 1.121 18732 7942 1 25 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.777 0.072 18732 7943 1 25 . 1 1 39 39 TRP CA C 39 54.206 54.206 57.769 -3.563 18732 7944 1 25 . 1 1 39 39 TRP CB C 39 30.461 30.461 32.683 -2.222 18732 7945 1 25 . 1 1 40 40 ASP N N 40 123.000 123.000 125.520 -2.520 18732 7946 1 25 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.646 0.482 18732 7947 1 25 . 1 1 40 40 ASP CA C 40 51.105 51.105 54.147 -3.042 18732 7948 1 25 . 1 1 40 40 ASP CB C 40 41.077 41.077 42.344 -1.267 18732 7949 1 25 . 1 1 41 41 ARG N N 41 123.259 123.259 126.090 -2.831 18732 7950 1 25 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.358 0.190 18732 7951 1 25 . 1 1 41 41 ARG CA C 41 52.623 52.623 55.071 -2.448 18732 7952 1 25 . 1 1 41 41 ARG CB C 41 31.417 31.417 32.779 -1.362 18732 7953 1 25 . 1 1 42 42 LYS N N 42 124.798 124.798 123.973 0.825 18732 7954 1 25 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.405 0.283 18732 7955 1 25 . 1 1 42 42 LYS CA C 42 53.773 53.773 55.549 -1.776 18732 7956 1 25 . 1 1 42 42 LYS CB C 42 31.787 31.787 34.296 -2.509 18732 7957 1 25 . 1 1 43 43 ARG N N 43 124.461 124.461 122.124 2.337 18732 7958 1 25 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.491 0.158 18732 7959 1 25 . 1 1 43 43 ARG CA C 43 52.179 52.179 55.920 -3.741 18732 7960 1 25 . 1 1 43 43 ARG CB C 43 30.149 30.149 30.805 -0.656 18732 7961 1 25 . 1 1 44 44 LYS N N 44 121.297 121.297 119.872 1.425 18732 7962 1 25 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.145 -0.122 18732 7963 1 25 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.576 -1.940 18732 7964 1 25 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.498 -2.386 18732 7965 1 25 . 1 1 45 45 ASP N N 45 115.145 115.145 116.671 -1.526 18732 7966 1 25 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.714 0.036 18732 7967 1 25 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.781 -2.681 18732 7968 1 25 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.973 -3.280 18732 7969 1 25 . 1 1 46 46 GLU N N 46 118.274 118.274 118.058 0.216 18732 7970 1 25 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.543 -0.076 18732 7971 1 25 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.159 -1.437 18732 7972 1 25 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.501 -3.431 18732 7973 1 25 . 1 1 47 47 ALA N N 47 127.506 127.506 122.175 5.331 18732 7974 1 25 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.533 0.161 18732 7975 1 25 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.656 -2.547 18732 7976 1 25 . 1 1 47 47 ALA CB C 47 18.842 18.842 21.977 -3.135 18732 7977 1 25 . 1 1 48 48 VAL N N 48 118.088 118.088 119.760 -1.672 18732 7978 1 25 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.941 0.404 18732 7979 1 25 . 1 1 48 48 VAL CA C 48 57.625 57.625 61.187 -3.562 18732 7980 1 25 . 1 1 48 48 VAL CB C 48 33.496 33.496 35.587 -2.091 18732 7981 1 25 . 1 1 49 49 LYS N N 49 124.725 124.725 126.173 -1.448 18732 7982 1 25 . 1 1 49 49 LYS HA H 49 5.357 5.357 5.006 0.351 18732 7983 1 25 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.189 -3.150 18732 7984 1 25 . 1 1 50 50 GLN N N 50 121.028 121.028 122.071 -1.043 18732 7985 1 25 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.932 0.054 18732 7986 1 25 . 1 1 50 50 GLN CA C 50 52.113 52.113 55.721 -3.608 18732 7987 1 25 . 1 1 50 50 GLN CB C 50 23.684 23.684 31.241 -7.557 18732 7988 1 25 . 1 1 51 51 TYR N N 51 124.549 124.549 118.276 6.273 18732 7989 1 25 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.817 0.401 18732 7990 1 25 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.883 -3.333 18732 7991 1 25 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.539 -2.259 18732 7992 1 25 . 1 1 52 52 HIS N N 52 121.301 121.301 119.996 1.305 18732 7993 1 25 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.192 0.027 18732 7994 1 25 . 1 1 52 52 HIS CA C 52 51.708 51.708 55.102 -3.394 18732 7995 1 25 . 1 1 52 52 HIS CB C 52 28.907 28.907 32.164 -3.257 18732 7996 1 25 . 1 1 53 53 LEU N N 53 127.743 127.743 127.462 0.281 18732 7997 1 25 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.601 0.607 18732 7998 1 25 . 1 1 53 53 LEU CA C 53 50.887 50.887 53.069 -2.182 18732 7999 1 25 . 1 1 53 53 LEU CB C 53 42.084 42.084 44.508 -2.424 18732 8000 1 25 . 1 1 54 54 THR N N 54 117.996 117.996 121.098 -3.102 18732 8001 1 25 . 1 1 54 54 THR HA H 54 4.600 4.600 4.054 0.546 18732 8002 1 25 . 1 1 54 54 THR CA C 54 59.774 59.774 62.887 -3.113 18732 8003 1 25 . 1 1 54 54 THR CB C 54 67.153 67.153 68.843 -1.690 18732 8004 1 25 . 1 1 55 55 LEU N N 55 129.329 129.329 127.169 2.160 18732 8005 1 25 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.721 0.353 18732 8006 1 25 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.534 -2.765 18732 8007 1 25 . 1 1 55 55 LEU CB C 55 42.090 42.090 42.164 -0.075 18732 8008 1 25 . 1 1 56 56 ARG N N 56 117.231 117.231 120.643 -3.412 18732 8009 1 25 . 1 1 56 56 ARG HA H 56 5.357 5.357 5.099 0.258 18732 8010 1 25 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.666 -2.791 18732 8011 1 25 . 1 1 56 56 ARG CB C 56 31.945 31.945 32.345 -0.400 18732 8012 1 25 . 1 1 57 57 GLU N N 57 128.411 128.411 128.629 -0.218 18732 8013 1 25 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.537 0.154 18732 8014 1 25 . 1 1 57 57 GLU CA C 57 52.864 52.864 57.564 -4.700 18732 8015 1 25 . 1 1 57 57 GLU CB C 57 29.942 29.942 31.268 -1.326 18732 8016 1 25 . 1 1 58 58 GLY N N 58 118.265 118.265 117.421 0.844 18732 8017 1 25 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.309 -2.366 18732 8018 1 25 . 1 1 59 59 SER N N 59 122.061 122.061 116.666 5.395 18732 8019 1 25 . 1 1 59 59 SER HA H 59 4.567 4.567 4.598 -0.031 18732 8020 1 25 . 1 1 59 59 SER CA C 59 55.730 55.730 58.077 -2.347 18732 8021 1 25 . 1 1 59 59 SER CB C 59 61.262 61.262 64.880 -3.618 18732 8022 1 25 . 1 1 60 60 LYS N N 60 124.154 124.154 123.172 0.982 18732 8023 1 25 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.595 0.025 18732 8024 1 25 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.255 -1.810 18732 8025 1 25 . 1 1 60 60 LYS CB C 60 32.144 32.144 35.242 -3.098 18732 8026 1 25 . 1 1 61 61 GLU N N 61 125.701 125.701 124.974 0.727 18732 8027 1 25 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.409 0.105 18732 8028 1 25 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.121 -3.015 18732 8029 1 25 . 1 1 61 61 GLU CB C 61 29.540 29.540 31.515 -1.975 18732 8030 1 25 . 1 1 62 62 PHE N N 62 121.360 121.360 121.739 -0.379 18732 8031 1 25 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.972 0.074 18732 8032 1 25 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.311 -1.948 18732 8033 1 25 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.779 -3.980 18732 8034 1 25 . 1 1 63 63 GLY N N 63 107.546 107.546 108.923 -1.377 18732 8035 1 25 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.940 -2.308 18732 8036 1 25 . 1 1 64 64 VAL N N 64 115.031 115.031 117.267 -2.236 18732 8037 1 25 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.539 0.481 18732 8038 1 25 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.700 -2.670 18732 8039 1 25 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.282 -1.129 18732 8040 1 25 . 1 1 65 65 PHE N N 65 122.208 122.208 119.656 2.552 18732 8041 1 25 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.549 0.083 18732 8042 1 25 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.221 -2.221 18732 8043 1 25 . 1 1 65 65 PHE CB C 65 39.295 39.295 43.366 -4.071 18732 8044 1 25 . 1 1 66 66 VAL N N 66 123.832 123.832 120.720 3.112 18732 8045 1 25 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.719 0.438 18732 8046 1 25 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.745 -3.111 18732 8047 1 25 . 1 1 66 66 VAL CB C 66 32.312 32.312 34.305 -1.993 18732 8048 1 25 . 1 1 67 67 THR N N 67 125.293 125.293 126.065 -0.772 18732 8049 1 25 . 1 1 67 67 THR CA C 67 57.150 57.150 62.026 -4.876 18732 8050 1 25 . 1 1 67 67 THR CB C 67 67.050 67.050 69.850 -2.800 18732 8051 1 25 . 1 1 68 68 ILE N N 68 128.624 128.624 127.673 0.951 18732 8052 1 25 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.491 0.372 18732 8053 1 25 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.550 -2.317 18732 8054 1 25 . 1 1 68 68 ILE CB C 68 39.314 39.314 40.090 -0.776 18732 8055 1 25 . 1 1 69 69 SER N N 69 122.023 122.023 122.389 -0.366 18732 8056 1 25 . 1 1 69 69 SER HA H 69 5.804 5.804 5.326 0.478 18732 8057 1 25 . 1 1 69 69 SER CA C 69 53.530 53.530 57.791 -4.261 18732 8058 1 25 . 1 1 69 69 SER CB C 69 61.921 61.921 64.528 -2.607 18732 8059 1 25 . 1 1 70 70 PHE N N 70 123.800 123.800 120.088 3.712 18732 8060 1 25 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.587 -0.210 18732 8061 1 25 . 1 1 70 70 PHE CA C 70 53.143 53.143 56.024 -2.881 18732 8062 1 25 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.728 -1.360 18732 8063 1 25 . 1 1 71 71 ASP N N 71 121.547 121.547 117.295 4.252 18732 8064 1 25 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.096 0.003 18732 8065 1 25 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.378 -2.156 18732 8066 1 25 . 1 1 71 71 ASP CB C 71 40.845 40.845 42.709 -1.864 18732 8067 1 25 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.468 -0.103 18732 8068 1 25 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.391 -2.792 18732 8069 1 25 . 1 1 72 72 PRO CB C 72 29.666 29.666 31.786 -2.120 18732 8070 1 25 . 1 1 73 73 TYR N N 73 118.085 118.085 117.626 0.459 18732 8071 1 25 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.374 0.252 18732 8072 1 25 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.175 -2.845 18732 8073 1 25 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.536 -2.956 18732 8074 1 25 . 1 1 74 74 SER N N 74 113.942 113.942 110.268 3.674 18732 8075 1 25 . 1 1 74 74 SER HA H 74 4.506 4.506 4.643 -0.137 18732 8076 1 25 . 1 1 74 74 SER CA C 74 56.253 56.253 58.204 -1.951 18732 8077 1 25 . 1 1 74 74 SER CB C 74 62.670 62.670 64.585 -1.915 18732 8078 1 25 . 1 1 75 75 GLN N N 75 115.717 115.717 118.382 -2.665 18732 8079 1 25 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.627 -0.383 18732 8080 1 25 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.256 -1.684 18732 8081 1 25 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.538 -2.915 18732 8082 1 25 . 1 1 76 76 LYS N N 76 119.205 119.205 120.638 -1.433 18732 8083 1 25 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.396 0.048 18732 8084 1 25 . 1 1 76 76 LYS CA C 76 54.013 54.013 55.417 -1.404 18732 8085 1 25 . 1 1 76 76 LYS CB C 76 31.375 31.375 32.772 -1.397 18732 8086 1 25 . 1 1 77 77 VAL N N 77 125.587 125.587 128.185 -2.598 18732 8087 1 25 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.009 -0.005 18732 8088 1 25 . 1 1 77 77 VAL CA C 77 61.558 61.558 63.963 -2.405 18732 8089 1 25 . 1 1 77 77 VAL CB C 77 30.401 30.401 31.879 -1.478 18732 8090 1 25 . 1 1 78 78 ASN N N 78 126.604 126.604 126.643 -0.039 18732 8091 1 25 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.817 0.133 18732 8092 1 25 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.918 -3.341 18732 8093 1 25 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.522 -2.161 18732 8094 1 25 . 1 1 79 79 LYS N N 79 118.463 118.463 117.506 0.957 18732 8095 1 25 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.631 -0.013 18732 8096 1 25 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.183 -1.611 18732 8097 1 25 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.995 -3.466 18732 8098 1 25 . 1 1 80 80 ILE N N 80 123.294 123.294 119.950 3.344 18732 8099 1 25 . 1 1 80 80 ILE HA H 80 5.071 5.071 4.908 0.163 18732 8100 1 25 . 1 1 80 80 ILE CA C 80 57.696 57.696 60.444 -2.748 18732 8101 1 25 . 1 1 80 80 ILE CB C 80 38.260 38.260 41.674 -3.414 18732 8102 1 25 . 1 1 81 81 ALA N N 81 130.466 130.466 128.091 2.375 18732 8103 1 25 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.736 0.300 18732 8104 1 25 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.095 -2.873 18732 8105 1 25 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.431 -2.357 18732 8106 1 25 . 1 1 82 82 ILE N N 82 122.249 122.249 119.341 2.908 18732 8107 1 25 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.843 0.399 18732 8108 1 25 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.656 -1.981 18732 8109 1 25 . 1 1 82 82 ILE CB C 82 37.792 37.792 40.785 -2.993 18732 8110 1 25 . 1 1 83 83 LEU N N 83 129.605 129.605 124.481 5.124 18732 8111 1 25 . 1 1 83 83 LEU HA H 83 4.954 4.954 5.024 -0.070 18732 8112 1 25 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.907 -2.575 18732 8113 1 25 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.691 -3.216 18732 8114 1 25 . 1 1 84 84 GLU N N 84 125.594 125.594 120.424 5.170 18732 8115 1 25 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.819 -0.107 18732 8116 1 25 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.350 -0.960 18732 8117 1 25 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.168 -5.046 18732 8118 1 25 . 1 1 85 85 GLU N N 85 123.904 123.904 124.020 -0.116 18732 8119 1 25 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.622 -0.193 18732 8120 1 25 . 1 1 85 85 GLU CA C 85 53.896 53.896 55.506 -1.610 18732 8121 1 25 . 1 1 85 85 GLU CB C 85 28.642 28.642 32.006 -3.364 18732 8122 1 25 . 1 1 86 86 TYR N N 86 123.323 123.323 116.833 6.490 18732 8123 1 25 . 1 1 86 86 TYR HA H 86 4.721 4.721 5.142 -0.421 18732 8124 1 25 . 1 1 86 86 TYR CA C 86 53.909 53.909 56.958 -3.049 18732 8125 1 25 . 1 1 86 86 TYR CB C 86 36.596 36.596 40.361 -3.765 18732 8126 1 26 . 1 1 2 2 GLU N N 2 120.598 120.598 120.773 -0.175 18732 8127 1 26 . 1 1 2 2 GLU CA C 2 53.965 53.965 56.376 -2.411 18732 8128 1 26 . 1 1 2 2 GLU CB C 2 27.978 27.978 31.580 -3.602 18732 8129 1 26 . 1 1 3 3 GLU N N 3 120.984 120.984 120.162 0.822 18732 8130 1 26 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.272 -0.074 18732 8131 1 26 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.268 2.767 18732 8132 1 26 . 1 1 3 3 GLU CB C 3 30.268 30.268 29.890 0.379 18732 8133 1 26 . 1 1 4 4 THR N N 4 117.936 117.936 108.709 9.227 18732 8134 1 26 . 1 1 4 4 THR HA H 4 4.665 4.665 4.648 0.017 18732 8135 1 26 . 1 1 4 4 THR CA C 4 57.307 57.307 58.830 -1.523 18732 8136 1 26 . 1 1 4 4 THR CB C 4 67.215 67.215 70.996 -3.781 18732 8137 1 26 . 1 1 5 5 PRO CA C 5 60.740 60.740 62.866 -2.126 18732 8138 1 26 . 1 1 5 5 PRO CB C 5 29.700 29.700 29.927 -0.227 18732 8139 1 26 . 1 1 6 6 LEU N N 6 122.097 122.097 121.092 1.005 18732 8140 1 26 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.760 -0.379 18732 8141 1 26 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.294 -1.279 18732 8142 1 26 . 1 1 6 6 LEU CB C 6 40.054 40.054 41.665 -1.611 18732 8143 1 26 . 1 1 8 8 THR N N 8 116.987 116.987 114.574 2.413 18732 8144 1 26 . 1 1 8 8 THR HA H 8 4.348 4.348 4.428 -0.080 18732 8145 1 26 . 1 1 8 8 THR CA C 8 59.340 59.340 61.615 -2.275 18732 8146 1 26 . 1 1 8 8 THR CB C 8 67.234 67.234 71.208 -3.974 18732 8147 1 26 . 1 1 9 9 ALA N N 9 125.944 125.944 129.461 -3.517 18732 8148 1 26 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.325 0.049 18732 8149 1 26 . 1 1 9 9 ALA CA C 9 50.009 50.009 51.996 -1.987 18732 8150 1 26 . 1 1 9 9 ALA CB C 9 16.807 16.807 17.606 -0.799 18732 8151 1 26 . 1 1 10 10 ARG N N 10 119.637 119.637 120.233 -0.596 18732 8152 1 26 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.509 -0.186 18732 8153 1 26 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.515 -1.983 18732 8154 1 26 . 1 1 10 10 ARG CB C 10 28.492 28.492 30.190 -1.698 18732 8155 1 26 . 1 1 11 11 HIS N N 11 119.667 119.667 121.543 -1.876 18732 8156 1 26 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.209 0.508 18732 8157 1 26 . 1 1 11 11 HIS CA C 11 52.790 52.790 56.398 -3.608 18732 8158 1 26 . 1 1 11 11 HIS CB C 11 27.033 27.033 30.317 -3.284 18732 8159 1 26 . 1 1 12 12 MET N N 12 122.280 122.280 118.146 4.134 18732 8160 1 26 . 1 1 12 12 MET HA H 12 4.543 4.543 4.863 -0.320 18732 8161 1 26 . 1 1 12 12 MET CA C 12 53.058 53.058 54.205 -1.147 18732 8162 1 26 . 1 1 12 12 MET CB C 12 29.647 29.647 36.944 -7.297 18732 8163 1 26 . 1 1 13 13 SER N N 13 118.363 118.363 116.122 2.241 18732 8164 1 26 . 1 1 13 13 SER HA H 13 4.515 4.515 4.545 -0.030 18732 8165 1 26 . 1 1 13 13 SER CA C 13 55.083 55.083 58.035 -2.952 18732 8166 1 26 . 1 1 13 13 SER CB C 13 62.243 62.243 64.577 -2.334 18732 8167 1 26 . 1 1 14 14 LYS N N 14 123.039 123.039 123.172 -0.133 18732 8168 1 26 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.856 0.070 18732 8169 1 26 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.457 -2.577 18732 8170 1 26 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.979 -2.484 18732 8171 1 26 . 1 1 15 15 TRP N N 15 118.585 118.585 115.984 2.601 18732 8172 1 26 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.863 -0.484 18732 8173 1 26 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.897 -1.328 18732 8174 1 26 . 1 1 15 15 TRP CB C 15 27.426 27.426 30.666 -3.240 18732 8175 1 26 . 1 1 16 16 GLU N N 16 119.418 119.418 121.335 -1.917 18732 8176 1 26 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.231 -0.255 18732 8177 1 26 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.335 -3.795 18732 8178 1 26 . 1 1 16 16 GLU CB C 16 27.787 27.787 29.379 -1.592 18732 8179 1 26 . 1 1 17 17 GLU N N 17 117.377 117.377 117.791 -0.414 18732 8180 1 26 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.015 -0.105 18732 8181 1 26 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.479 -2.581 18732 8182 1 26 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.349 -2.496 18732 8183 1 26 . 1 1 18 18 ILE N N 18 119.807 119.807 120.254 -0.447 18732 8184 1 26 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.667 0.001 18732 8185 1 26 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.155 -2.410 18732 8186 1 26 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.673 -2.010 18732 8187 1 26 . 1 1 19 19 ALA N N 19 121.744 121.744 122.694 -0.950 18732 8188 1 26 . 1 1 19 19 ALA HA H 19 3.955 3.955 3.951 0.004 18732 8189 1 26 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.244 -1.801 18732 8190 1 26 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.053 -2.780 18732 8191 1 26 . 1 1 20 20 VAL N N 20 115.918 115.918 118.310 -2.392 18732 8192 1 26 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.497 -0.098 18732 8193 1 26 . 1 1 20 20 VAL CA C 20 64.329 64.329 67.170 -2.841 18732 8194 1 26 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.337 -1.933 18732 8195 1 26 . 1 1 21 21 LYS N N 21 119.785 119.785 120.058 -0.273 18732 8196 1 26 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.917 0.004 18732 8197 1 26 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.177 -2.735 18732 8198 1 26 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.112 1.400 18732 8199 1 26 . 1 1 22 22 GLU N N 22 118.955 118.955 119.131 -0.176 18732 8200 1 26 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.053 0.016 18732 8201 1 26 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.588 -3.327 18732 8202 1 26 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.548 -3.452 18732 8203 1 26 . 1 1 23 23 ALA N N 23 122.253 122.253 118.634 3.619 18732 8204 1 26 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.287 -0.186 18732 8205 1 26 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.442 -1.216 18732 8206 1 26 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.745 -3.236 18732 8207 1 26 . 1 1 24 24 LYS N N 24 116.889 116.889 116.233 0.656 18732 8208 1 26 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.350 -0.331 18732 8209 1 26 . 1 1 24 24 LYS CA C 24 55.745 55.745 58.289 -2.545 18732 8210 1 26 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.518 -4.333 18732 8211 1 26 . 1 1 25 25 LYS N N 25 117.772 117.772 121.210 -3.438 18732 8212 1 26 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.182 -0.159 18732 8213 1 26 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.730 -2.390 18732 8214 1 26 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.025 -1.823 18732 8215 1 26 . 1 1 26 26 ARG N N 26 117.176 117.176 119.253 -2.077 18732 8216 1 26 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.111 -0.054 18732 8217 1 26 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.242 -3.251 18732 8218 1 26 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.624 -2.590 18732 8219 1 26 . 1 1 27 27 TYR N N 27 117.344 117.344 118.652 -1.308 18732 8220 1 26 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.935 0.147 18732 8221 1 26 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.472 -2.914 18732 8222 1 26 . 1 1 27 27 TYR CB C 27 35.987 35.987 39.013 -3.026 18732 8223 1 26 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.327 0.422 18732 8224 1 26 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.840 -2.447 18732 8225 1 26 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.001 -2.146 18732 8226 1 26 . 1 1 29 29 LEU N N 29 117.758 117.758 117.056 0.702 18732 8227 1 26 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.483 0.106 18732 8228 1 26 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.813 -3.239 18732 8229 1 26 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.265 -2.375 18732 8230 1 26 . 1 1 30 30 ALA N N 30 122.493 122.493 118.413 4.080 18732 8231 1 26 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.748 0.103 18732 8232 1 26 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.755 -1.900 18732 8233 1 26 . 1 1 30 30 ALA CB C 30 19.668 19.668 21.959 -2.291 18732 8234 1 26 . 1 1 31 31 GLN N N 31 118.936 118.936 118.266 0.670 18732 8235 1 26 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.724 -0.085 18732 8236 1 26 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.215 -2.945 18732 8237 1 26 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.438 -3.595 18732 8238 1 26 . 1 1 32 32 VAL N N 32 123.815 123.815 124.479 -0.664 18732 8239 1 26 . 1 1 32 32 VAL HA H 32 4.665 4.665 3.894 0.771 18732 8240 1 26 . 1 1 32 32 VAL CA C 32 60.265 60.265 62.837 -2.572 18732 8241 1 26 . 1 1 32 32 VAL CB C 32 28.878 28.878 31.389 -2.511 18732 8242 1 26 . 1 1 33 33 LEU N N 33 128.709 128.709 126.597 2.112 18732 8243 1 26 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.468 -0.226 18732 8244 1 26 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.994 -1.611 18732 8245 1 26 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.226 -1.103 18732 8246 1 26 . 1 1 34 34 PHE N N 34 114.779 114.779 118.513 -3.734 18732 8247 1 26 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.247 -0.341 18732 8248 1 26 . 1 1 34 34 PHE CA C 34 53.915 53.915 59.151 -5.236 18732 8249 1 26 . 1 1 34 34 PHE CB C 34 40.653 40.653 40.227 0.425 18732 8250 1 26 . 1 1 35 35 LYS N N 35 120.077 120.077 121.855 -1.778 18732 8251 1 26 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.463 0.775 18732 8252 1 26 . 1 1 35 35 LYS CA C 35 52.297 52.297 56.336 -4.039 18732 8253 1 26 . 1 1 35 35 LYS CB C 35 32.998 32.998 33.761 -0.763 18732 8254 1 26 . 1 1 36 36 GLN N N 36 119.491 119.491 124.921 -5.430 18732 8255 1 26 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.693 0.543 18732 8256 1 26 . 1 1 36 36 GLN CA C 36 52.197 52.197 55.209 -3.012 18732 8257 1 26 . 1 1 36 36 GLN CB C 36 30.609 30.609 33.337 -2.728 18732 8258 1 26 . 1 1 37 37 LYS N N 37 128.471 128.471 121.628 6.843 18732 8259 1 26 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.534 0.261 18732 8260 1 26 . 1 1 37 37 LYS CA C 37 54.661 54.661 54.997 -0.336 18732 8261 1 26 . 1 1 37 37 LYS CB C 37 31.273 31.273 34.475 -3.203 18732 8262 1 26 . 1 1 38 38 VAL N N 38 125.112 125.112 118.612 6.500 18732 8263 1 26 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.407 -0.070 18732 8264 1 26 . 1 1 38 38 VAL CA C 38 60.252 60.252 62.481 -2.229 18732 8265 1 26 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.924 -3.204 18732 8266 1 26 . 1 1 39 39 TRP N N 39 123.085 123.085 120.709 2.376 18732 8267 1 26 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.773 0.076 18732 8268 1 26 . 1 1 39 39 TRP CA C 39 54.206 54.206 57.773 -3.567 18732 8269 1 26 . 1 1 39 39 TRP CB C 39 30.461 30.461 32.173 -1.712 18732 8270 1 26 . 1 1 40 40 ASP N N 40 123.000 123.000 121.680 1.320 18732 8271 1 26 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.764 0.364 18732 8272 1 26 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.793 -2.688 18732 8273 1 26 . 1 1 40 40 ASP CB C 40 41.077 41.077 41.171 -0.094 18732 8274 1 26 . 1 1 41 41 ARG N N 41 123.259 123.259 120.546 2.713 18732 8275 1 26 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.079 0.469 18732 8276 1 26 . 1 1 41 41 ARG CA C 41 52.623 52.623 56.993 -4.370 18732 8277 1 26 . 1 1 41 41 ARG CB C 41 31.417 31.417 30.594 0.823 18732 8278 1 26 . 1 1 42 42 LYS N N 42 124.798 124.798 119.370 5.428 18732 8279 1 26 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.425 0.263 18732 8280 1 26 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.500 -0.727 18732 8281 1 26 . 1 1 42 42 LYS CB C 42 31.787 31.787 34.263 -2.476 18732 8282 1 26 . 1 1 43 43 ARG N N 43 124.461 124.461 121.086 3.375 18732 8283 1 26 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.506 0.143 18732 8284 1 26 . 1 1 43 43 ARG CA C 43 52.179 52.179 54.993 -2.814 18732 8285 1 26 . 1 1 43 43 ARG CB C 43 30.149 30.149 30.281 -0.132 18732 8286 1 26 . 1 1 44 44 LYS N N 44 121.297 121.297 120.138 1.159 18732 8287 1 26 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.140 -0.117 18732 8288 1 26 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.452 -1.816 18732 8289 1 26 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.422 -2.310 18732 8290 1 26 . 1 1 45 45 ASP N N 45 115.145 115.145 117.518 -2.373 18732 8291 1 26 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.759 -0.009 18732 8292 1 26 . 1 1 45 45 ASP CA C 45 51.100 51.100 54.600 -3.500 18732 8293 1 26 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.168 -2.475 18732 8294 1 26 . 1 1 46 46 GLU N N 46 118.274 118.274 115.973 2.301 18732 8295 1 26 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.527 -0.060 18732 8296 1 26 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.531 -1.809 18732 8297 1 26 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.447 -3.377 18732 8298 1 26 . 1 1 47 47 ALA N N 47 127.506 127.506 122.967 4.539 18732 8299 1 26 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.648 0.046 18732 8300 1 26 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.275 -2.167 18732 8301 1 26 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.436 -3.594 18732 8302 1 26 . 1 1 48 48 VAL N N 48 118.088 118.088 113.366 4.722 18732 8303 1 26 . 1 1 48 48 VAL HA H 48 5.345 5.345 5.150 0.195 18732 8304 1 26 . 1 1 48 48 VAL CA C 48 57.625 57.625 60.252 -2.627 18732 8305 1 26 . 1 1 48 48 VAL CB C 48 33.496 33.496 35.026 -1.530 18732 8306 1 26 . 1 1 49 49 LYS N N 49 124.725 124.725 124.985 -0.260 18732 8307 1 26 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.683 0.674 18732 8308 1 26 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.065 -3.026 18732 8309 1 26 . 1 1 50 50 GLN N N 50 121.028 121.028 121.125 -0.097 18732 8310 1 26 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.531 0.455 18732 8311 1 26 . 1 1 50 50 GLN CA C 50 52.113 52.113 56.378 -4.265 18732 8312 1 26 . 1 1 50 50 GLN CB C 50 23.684 23.684 30.213 -6.529 18732 8313 1 26 . 1 1 51 51 TYR N N 51 124.549 124.549 119.730 4.819 18732 8314 1 26 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.769 0.449 18732 8315 1 26 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.300 -2.751 18732 8316 1 26 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.558 -2.278 18732 8317 1 26 . 1 1 52 52 HIS N N 52 121.301 121.301 121.091 0.210 18732 8318 1 26 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.401 -0.182 18732 8319 1 26 . 1 1 52 52 HIS CA C 52 51.708 51.708 53.635 -1.927 18732 8320 1 26 . 1 1 52 52 HIS CB C 52 28.907 28.907 32.146 -3.239 18732 8321 1 26 . 1 1 53 53 LEU N N 53 127.743 127.743 126.276 1.467 18732 8322 1 26 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.711 0.497 18732 8323 1 26 . 1 1 53 53 LEU CA C 53 50.887 50.887 53.069 -2.182 18732 8324 1 26 . 1 1 53 53 LEU CB C 53 42.084 42.084 44.995 -2.912 18732 8325 1 26 . 1 1 54 54 THR N N 54 117.996 117.996 116.143 1.853 18732 8326 1 26 . 1 1 54 54 THR HA H 54 4.600 4.600 4.497 0.103 18732 8327 1 26 . 1 1 54 54 THR CA C 54 59.774 59.774 61.676 -1.902 18732 8328 1 26 . 1 1 54 54 THR CB C 54 67.153 67.153 68.771 -1.618 18732 8329 1 26 . 1 1 55 55 LEU N N 55 129.329 129.329 127.198 2.131 18732 8330 1 26 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.809 0.265 18732 8331 1 26 . 1 1 55 55 LEU CA C 55 50.769 50.769 54.375 -3.606 18732 8332 1 26 . 1 1 55 55 LEU CB C 55 42.090 42.090 42.955 -0.865 18732 8333 1 26 . 1 1 56 56 ARG N N 56 117.231 117.231 120.664 -3.433 18732 8334 1 26 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.985 0.372 18732 8335 1 26 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.696 -2.821 18732 8336 1 26 . 1 1 56 56 ARG CB C 56 31.945 31.945 33.294 -1.349 18732 8337 1 26 . 1 1 57 57 GLU N N 57 128.411 128.411 129.318 -0.907 18732 8338 1 26 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.729 -0.038 18732 8339 1 26 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.013 -2.149 18732 8340 1 26 . 1 1 57 57 GLU CB C 57 29.942 29.942 30.761 -0.819 18732 8341 1 26 . 1 1 58 58 GLY N N 58 118.265 118.265 118.040 0.225 18732 8342 1 26 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.266 -2.323 18732 8343 1 26 . 1 1 59 59 SER N N 59 122.061 122.061 119.295 2.766 18732 8344 1 26 . 1 1 59 59 SER HA H 59 4.567 4.567 4.407 0.160 18732 8345 1 26 . 1 1 59 59 SER CA C 59 55.730 55.730 59.107 -3.377 18732 8346 1 26 . 1 1 59 59 SER CB C 59 61.262 61.262 63.456 -2.195 18732 8347 1 26 . 1 1 60 60 LYS N N 60 124.154 124.154 121.980 2.174 18732 8348 1 26 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.602 0.018 18732 8349 1 26 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.810 -2.366 18732 8350 1 26 . 1 1 60 60 LYS CB C 60 32.144 32.144 35.309 -3.165 18732 8351 1 26 . 1 1 61 61 GLU N N 61 125.701 125.701 122.779 2.922 18732 8352 1 26 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.461 0.053 18732 8353 1 26 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.179 -3.073 18732 8354 1 26 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.837 -3.297 18732 8355 1 26 . 1 1 62 62 PHE N N 62 121.360 121.360 118.425 2.935 18732 8356 1 26 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.958 0.088 18732 8357 1 26 . 1 1 62 62 PHE CA C 62 53.363 53.363 56.110 -2.747 18732 8358 1 26 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.424 -3.625 18732 8359 1 26 . 1 1 63 63 GLY N N 63 107.546 107.546 106.133 1.413 18732 8360 1 26 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.483 -1.851 18732 8361 1 26 . 1 1 64 64 VAL N N 64 115.031 115.031 115.731 -0.700 18732 8362 1 26 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.473 0.547 18732 8363 1 26 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.208 -2.178 18732 8364 1 26 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.264 -1.112 18732 8365 1 26 . 1 1 65 65 PHE N N 65 122.208 122.208 121.106 1.102 18732 8366 1 26 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.248 0.384 18732 8367 1 26 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.298 -2.298 18732 8368 1 26 . 1 1 65 65 PHE CB C 65 39.295 39.295 40.016 -0.721 18732 8369 1 26 . 1 1 66 66 VAL N N 66 123.832 123.832 124.101 -0.269 18732 8370 1 26 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.089 1.068 18732 8371 1 26 . 1 1 66 66 VAL CA C 66 58.634 58.634 63.563 -4.929 18732 8372 1 26 . 1 1 66 66 VAL CB C 66 32.312 32.312 32.311 0.001 18732 8373 1 26 . 1 1 67 67 THR N N 67 125.293 125.293 122.409 2.884 18732 8374 1 26 . 1 1 67 67 THR CA C 67 57.150 57.150 61.906 -4.756 18732 8375 1 26 . 1 1 67 67 THR CB C 67 67.050 67.050 70.851 -3.801 18732 8376 1 26 . 1 1 68 68 ILE N N 68 128.624 128.624 127.376 1.248 18732 8377 1 26 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.401 0.462 18732 8378 1 26 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.723 -2.490 18732 8379 1 26 . 1 1 68 68 ILE CB C 68 39.314 39.314 41.565 -2.251 18732 8380 1 26 . 1 1 69 69 SER N N 69 122.023 122.023 122.171 -0.148 18732 8381 1 26 . 1 1 69 69 SER HA H 69 5.804 5.804 5.532 0.272 18732 8382 1 26 . 1 1 69 69 SER CA C 69 53.530 53.530 57.292 -3.762 18732 8383 1 26 . 1 1 69 69 SER CB C 69 61.921 61.921 65.237 -3.316 18732 8384 1 26 . 1 1 70 70 PHE N N 70 123.800 123.800 120.836 2.964 18732 8385 1 26 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.495 -0.118 18732 8386 1 26 . 1 1 70 70 PHE CA C 70 53.143 53.143 56.014 -2.871 18732 8387 1 26 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.289 -0.921 18732 8388 1 26 . 1 1 71 71 ASP N N 71 121.547 121.547 120.366 1.181 18732 8389 1 26 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.214 -0.115 18732 8390 1 26 . 1 1 71 71 ASP CA C 71 48.222 48.222 51.234 -3.013 18732 8391 1 26 . 1 1 71 71 ASP CB C 71 40.845 40.845 42.499 -1.654 18732 8392 1 26 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.469 -0.104 18732 8393 1 26 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.688 -3.089 18732 8394 1 26 . 1 1 72 72 PRO CB C 72 29.666 29.666 31.968 -2.301 18732 8395 1 26 . 1 1 73 73 TYR N N 73 118.085 118.085 119.683 -1.598 18732 8396 1 26 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.275 0.351 18732 8397 1 26 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.187 -2.857 18732 8398 1 26 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.002 -2.422 18732 8399 1 26 . 1 1 74 74 SER N N 74 113.942 113.942 111.568 2.374 18732 8400 1 26 . 1 1 74 74 SER HA H 74 4.506 4.506 4.660 -0.154 18732 8401 1 26 . 1 1 74 74 SER CA C 74 56.253 56.253 58.298 -2.045 18732 8402 1 26 . 1 1 74 74 SER CB C 74 62.670 62.670 63.816 -1.147 18732 8403 1 26 . 1 1 75 75 GLN N N 75 115.717 115.717 118.850 -3.133 18732 8404 1 26 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.537 -0.293 18732 8405 1 26 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.129 -1.557 18732 8406 1 26 . 1 1 75 75 GLN CB C 75 23.623 23.623 27.202 -3.579 18732 8407 1 26 . 1 1 76 76 LYS N N 76 119.205 119.205 118.931 0.274 18732 8408 1 26 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.275 0.169 18732 8409 1 26 . 1 1 76 76 LYS CA C 76 54.013 54.013 56.416 -2.402 18732 8410 1 26 . 1 1 76 76 LYS CB C 76 31.375 31.375 32.825 -1.450 18732 8411 1 26 . 1 1 77 77 VAL N N 77 125.587 125.587 127.359 -1.772 18732 8412 1 26 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.049 -0.045 18732 8413 1 26 . 1 1 77 77 VAL CA C 77 61.558 61.558 63.625 -2.067 18732 8414 1 26 . 1 1 77 77 VAL CB C 77 30.401 30.401 31.203 -0.802 18732 8415 1 26 . 1 1 78 78 ASN N N 78 126.604 126.604 127.446 -0.842 18732 8416 1 26 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.616 0.334 18732 8417 1 26 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.763 -3.186 18732 8418 1 26 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.255 -1.895 18732 8419 1 26 . 1 1 79 79 LYS N N 79 118.463 118.463 117.516 0.947 18732 8420 1 26 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.686 -0.068 18732 8421 1 26 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.907 -2.335 18732 8422 1 26 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.910 -3.381 18732 8423 1 26 . 1 1 80 80 ILE N N 80 123.294 123.294 119.486 3.808 18732 8424 1 26 . 1 1 80 80 ILE HA H 80 5.071 5.071 4.712 0.359 18732 8425 1 26 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.896 -2.200 18732 8426 1 26 . 1 1 80 80 ILE CB C 80 38.260 38.260 41.404 -3.144 18732 8427 1 26 . 1 1 81 81 ALA N N 81 130.466 130.466 126.708 3.758 18732 8428 1 26 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.788 0.248 18732 8429 1 26 . 1 1 81 81 ALA CA C 81 48.222 48.222 50.985 -2.763 18732 8430 1 26 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.509 -2.435 18732 8431 1 26 . 1 1 82 82 ILE N N 82 122.249 122.249 118.772 3.477 18732 8432 1 26 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.488 0.754 18732 8433 1 26 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.973 -2.298 18732 8434 1 26 . 1 1 82 82 ILE CB C 82 37.792 37.792 40.956 -3.164 18732 8435 1 26 . 1 1 83 83 LEU N N 83 129.605 129.605 128.030 1.575 18732 8436 1 26 . 1 1 83 83 LEU HA H 83 4.954 4.954 5.036 -0.082 18732 8437 1 26 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.640 -2.308 18732 8438 1 26 . 1 1 83 83 LEU CB C 83 43.475 43.475 45.977 -2.502 18732 8439 1 26 . 1 1 84 84 GLU N N 84 125.594 125.594 120.109 5.485 18732 8440 1 26 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.696 0.016 18732 8441 1 26 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.221 -0.831 18732 8442 1 26 . 1 1 84 84 GLU CB C 84 28.122 28.122 32.895 -4.773 18732 8443 1 26 . 1 1 85 85 GLU N N 85 123.904 123.904 126.056 -2.152 18732 8444 1 26 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.402 0.027 18732 8445 1 26 . 1 1 85 85 GLU CA C 85 53.896 53.896 57.327 -3.431 18732 8446 1 26 . 1 1 85 85 GLU CB C 85 28.642 28.642 30.711 -2.069 18732 8447 1 26 . 1 1 86 86 TYR N N 86 123.323 123.323 118.588 4.735 18732 8448 1 26 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.664 0.057 18732 8449 1 26 . 1 1 86 86 TYR CA C 86 53.909 53.909 57.433 -3.524 18732 8450 1 26 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.298 -2.703 18732 8451 1 27 . 1 1 2 2 GLU N N 2 120.598 120.598 122.159 -1.561 18732 8452 1 27 . 1 1 2 2 GLU CA C 2 53.965 53.965 56.629 -2.663 18732 8453 1 27 . 1 1 2 2 GLU CB C 2 27.978 27.978 29.965 -1.987 18732 8454 1 27 . 1 1 3 3 GLU N N 3 120.984 120.984 123.728 -2.744 18732 8455 1 27 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.332 -0.134 18732 8456 1 27 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.384 2.651 18732 8457 1 27 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.456 -0.188 18732 8458 1 27 . 1 1 4 4 THR N N 4 117.936 117.936 111.404 6.532 18732 8459 1 27 . 1 1 4 4 THR HA H 4 4.665 4.665 4.547 0.118 18732 8460 1 27 . 1 1 4 4 THR CA C 4 57.307 57.307 58.594 -1.287 18732 8461 1 27 . 1 1 4 4 THR CB C 4 67.215 67.215 70.245 -3.030 18732 8462 1 27 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.374 -2.634 18732 8463 1 27 . 1 1 5 5 PRO CB C 5 29.700 29.700 30.716 -1.016 18732 8464 1 27 . 1 1 6 6 LEU N N 6 122.097 122.097 125.040 -2.943 18732 8465 1 27 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.800 -0.419 18732 8466 1 27 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.074 -1.059 18732 8467 1 27 . 1 1 6 6 LEU CB C 6 40.054 40.054 44.031 -3.977 18732 8468 1 27 . 1 1 8 8 THR N N 8 116.987 116.987 109.457 7.530 18732 8469 1 27 . 1 1 8 8 THR HA H 8 4.348 4.348 4.423 -0.075 18732 8470 1 27 . 1 1 8 8 THR CA C 8 59.340 59.340 62.075 -2.735 18732 8471 1 27 . 1 1 8 8 THR CB C 8 67.234 67.234 69.081 -1.847 18732 8472 1 27 . 1 1 9 9 ALA N N 9 125.944 125.944 122.885 3.059 18732 8473 1 27 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.485 -0.111 18732 8474 1 27 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.596 -2.587 18732 8475 1 27 . 1 1 9 9 ALA CB C 9 16.807 16.807 19.477 -2.670 18732 8476 1 27 . 1 1 10 10 ARG N N 10 119.637 119.637 120.764 -1.127 18732 8477 1 27 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.214 0.109 18732 8478 1 27 . 1 1 10 10 ARG CA C 10 53.532 53.532 56.522 -2.990 18732 8479 1 27 . 1 1 10 10 ARG CB C 10 28.492 28.492 29.244 -0.752 18732 8480 1 27 . 1 1 11 11 HIS N N 11 119.667 119.667 116.268 3.399 18732 8481 1 27 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.761 -0.044 18732 8482 1 27 . 1 1 11 11 HIS CA C 11 52.790 52.790 55.116 -2.326 18732 8483 1 27 . 1 1 11 11 HIS CB C 11 27.033 27.033 30.779 -3.746 18732 8484 1 27 . 1 1 12 12 MET N N 12 122.280 122.280 120.754 1.526 18732 8485 1 27 . 1 1 12 12 MET HA H 12 4.543 4.543 4.802 -0.259 18732 8486 1 27 . 1 1 12 12 MET CA C 12 53.058 53.058 54.656 -1.598 18732 8487 1 27 . 1 1 12 12 MET CB C 12 29.647 29.647 35.948 -6.301 18732 8488 1 27 . 1 1 13 13 SER N N 13 118.363 118.363 114.692 3.671 18732 8489 1 27 . 1 1 13 13 SER HA H 13 4.515 4.515 4.789 -0.274 18732 8490 1 27 . 1 1 13 13 SER CA C 13 55.083 55.083 57.436 -2.353 18732 8491 1 27 . 1 1 13 13 SER CB C 13 62.243 62.243 64.944 -2.701 18732 8492 1 27 . 1 1 14 14 LYS N N 14 123.039 123.039 122.654 0.385 18732 8493 1 27 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.873 0.053 18732 8494 1 27 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.372 -2.492 18732 8495 1 27 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.912 -2.417 18732 8496 1 27 . 1 1 15 15 TRP N N 15 118.585 118.585 118.505 0.080 18732 8497 1 27 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.636 -0.257 18732 8498 1 27 . 1 1 15 15 TRP CA C 15 55.569 55.569 57.935 -2.366 18732 8499 1 27 . 1 1 15 15 TRP CB C 15 27.426 27.426 29.828 -2.402 18732 8500 1 27 . 1 1 16 16 GLU N N 16 119.418 119.418 120.817 -1.399 18732 8501 1 27 . 1 1 16 16 GLU HA H 16 2.976 2.976 2.830 0.146 18732 8502 1 27 . 1 1 16 16 GLU CA C 16 56.540 56.540 59.605 -3.065 18732 8503 1 27 . 1 1 16 16 GLU CB C 16 27.787 27.787 27.981 -0.194 18732 8504 1 27 . 1 1 17 17 GLU N N 17 117.377 117.377 119.536 -2.159 18732 8505 1 27 . 1 1 17 17 GLU HA H 17 3.910 3.910 3.954 -0.044 18732 8506 1 27 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.247 -2.349 18732 8507 1 27 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.307 -2.454 18732 8508 1 27 . 1 1 18 18 ILE N N 18 119.807 119.807 119.936 -0.129 18732 8509 1 27 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.641 0.027 18732 8510 1 27 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.160 -2.415 18732 8511 1 27 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.664 -2.001 18732 8512 1 27 . 1 1 19 19 ALA N N 19 121.744 121.744 122.283 -0.539 18732 8513 1 27 . 1 1 19 19 ALA HA H 19 3.955 3.955 3.948 0.007 18732 8514 1 27 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.276 -1.833 18732 8515 1 27 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.108 -2.834 18732 8516 1 27 . 1 1 20 20 VAL N N 20 115.918 115.918 118.194 -2.276 18732 8517 1 27 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.516 -0.117 18732 8518 1 27 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.763 -2.434 18732 8519 1 27 . 1 1 20 20 VAL CB C 20 29.404 29.404 30.802 -1.398 18732 8520 1 27 . 1 1 21 21 LYS N N 21 119.785 119.785 119.671 0.114 18732 8521 1 27 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.958 -0.037 18732 8522 1 27 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.015 -2.573 18732 8523 1 27 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.165 1.347 18732 8524 1 27 . 1 1 22 22 GLU N N 22 118.955 118.955 119.662 -0.707 18732 8525 1 27 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.104 -0.035 18732 8526 1 27 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.691 -3.430 18732 8527 1 27 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.707 -3.611 18732 8528 1 27 . 1 1 23 23 ALA N N 23 122.253 122.253 119.524 2.729 18732 8529 1 27 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.353 -0.252 18732 8530 1 27 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.283 -1.058 18732 8531 1 27 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.735 -3.226 18732 8532 1 27 . 1 1 24 24 LYS N N 24 116.889 116.889 116.206 0.683 18732 8533 1 27 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.240 -0.221 18732 8534 1 27 . 1 1 24 24 LYS CA C 24 55.745 55.745 58.636 -2.891 18732 8535 1 27 . 1 1 24 24 LYS CB C 24 29.185 29.185 32.807 -3.622 18732 8536 1 27 . 1 1 25 25 LYS N N 25 117.772 117.772 120.206 -2.434 18732 8537 1 27 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.323 -0.300 18732 8538 1 27 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.353 -2.014 18732 8539 1 27 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.245 -2.043 18732 8540 1 27 . 1 1 26 26 ARG N N 26 117.176 117.176 119.462 -2.286 18732 8541 1 27 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.093 -0.036 18732 8542 1 27 . 1 1 26 26 ARG CA C 26 53.991 53.991 56.823 -2.832 18732 8543 1 27 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.291 -2.257 18732 8544 1 27 . 1 1 27 27 TYR N N 27 117.344 117.344 118.108 -0.764 18732 8545 1 27 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.915 0.167 18732 8546 1 27 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.325 -2.768 18732 8547 1 27 . 1 1 27 27 TYR CB C 27 35.987 35.987 39.085 -3.098 18732 8548 1 27 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.429 0.320 18732 8549 1 27 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.508 -2.115 18732 8550 1 27 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.157 -2.302 18732 8551 1 27 . 1 1 29 29 LEU N N 29 117.758 117.758 118.007 -0.249 18732 8552 1 27 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.612 -0.023 18732 8553 1 27 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.111 -2.537 18732 8554 1 27 . 1 1 29 29 LEU CB C 29 38.890 38.890 40.684 -1.794 18732 8555 1 27 . 1 1 30 30 ALA N N 30 122.493 122.493 119.342 3.151 18732 8556 1 27 . 1 1 30 30 ALA HA H 30 4.851 4.851 5.026 -0.175 18732 8557 1 27 . 1 1 30 30 ALA CA C 30 48.855 48.855 51.058 -2.203 18732 8558 1 27 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.469 -2.801 18732 8559 1 27 . 1 1 31 31 GLN N N 31 118.936 118.936 117.397 1.539 18732 8560 1 27 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.821 -0.182 18732 8561 1 27 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.035 -2.764 18732 8562 1 27 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.599 -3.756 18732 8563 1 27 . 1 1 32 32 VAL N N 32 123.815 123.815 121.114 2.701 18732 8564 1 27 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.390 0.275 18732 8565 1 27 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.415 -1.150 18732 8566 1 27 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.631 -3.753 18732 8567 1 27 . 1 1 33 33 LEU N N 33 128.709 128.709 125.622 3.087 18732 8568 1 27 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.612 -0.370 18732 8569 1 27 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.787 -1.404 18732 8570 1 27 . 1 1 33 33 LEU CB C 33 41.123 41.123 43.131 -2.008 18732 8571 1 27 . 1 1 34 34 PHE N N 34 114.779 114.779 119.113 -4.334 18732 8572 1 27 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.694 -0.788 18732 8573 1 27 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.335 -3.420 18732 8574 1 27 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.098 -2.445 18732 8575 1 27 . 1 1 35 35 LYS N N 35 120.077 120.077 120.029 0.048 18732 8576 1 27 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.538 0.700 18732 8577 1 27 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.823 -3.526 18732 8578 1 27 . 1 1 35 35 LYS CB C 35 32.998 32.998 32.681 0.317 18732 8579 1 27 . 1 1 36 36 GLN N N 36 119.491 119.491 119.735 -0.244 18732 8580 1 27 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.531 0.705 18732 8581 1 27 . 1 1 36 36 GLN CA C 36 52.197 52.197 55.541 -3.345 18732 8582 1 27 . 1 1 36 36 GLN CB C 36 30.609 30.609 31.211 -0.602 18732 8583 1 27 . 1 1 37 37 LYS N N 37 128.471 128.471 118.784 9.687 18732 8584 1 27 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.511 0.284 18732 8585 1 27 . 1 1 37 37 LYS CA C 37 54.661 54.661 54.625 0.036 18732 8586 1 27 . 1 1 37 37 LYS CB C 37 31.273 31.273 35.021 -3.748 18732 8587 1 27 . 1 1 38 38 VAL N N 38 125.112 125.112 115.143 9.969 18732 8588 1 27 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.646 -0.309 18732 8589 1 27 . 1 1 38 38 VAL CA C 38 60.252 60.252 60.673 -0.421 18732 8590 1 27 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.366 -2.646 18732 8591 1 27 . 1 1 39 39 TRP N N 39 123.085 123.085 123.336 -0.251 18732 8592 1 27 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.517 0.332 18732 8593 1 27 . 1 1 39 39 TRP CA C 39 54.206 54.206 58.706 -4.500 18732 8594 1 27 . 1 1 39 39 TRP CB C 39 30.461 30.461 30.027 0.434 18732 8595 1 27 . 1 1 40 40 ASP N N 40 123.000 123.000 124.047 -1.047 18732 8596 1 27 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.870 0.258 18732 8597 1 27 . 1 1 40 40 ASP CA C 40 51.105 51.105 52.736 -1.631 18732 8598 1 27 . 1 1 40 40 ASP CB C 40 41.077 41.077 43.006 -1.929 18732 8599 1 27 . 1 1 41 41 ARG N N 41 123.259 123.259 121.955 1.304 18732 8600 1 27 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.221 0.327 18732 8601 1 27 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.389 -1.766 18732 8602 1 27 . 1 1 41 41 ARG CB C 41 31.417 31.417 34.022 -2.605 18732 8603 1 27 . 1 1 42 42 LYS N N 42 124.798 124.798 121.857 2.941 18732 8604 1 27 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.602 0.086 18732 8605 1 27 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.843 -1.070 18732 8606 1 27 . 1 1 42 42 LYS CB C 42 31.787 31.787 35.383 -3.596 18732 8607 1 27 . 1 1 43 43 ARG N N 43 124.461 124.461 122.469 1.992 18732 8608 1 27 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.660 -0.011 18732 8609 1 27 . 1 1 43 43 ARG CA C 43 52.179 52.179 53.761 -1.582 18732 8610 1 27 . 1 1 43 43 ARG CB C 43 30.149 30.149 30.675 -0.526 18732 8611 1 27 . 1 1 44 44 LYS N N 44 121.297 121.297 120.257 1.040 18732 8612 1 27 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.185 -0.162 18732 8613 1 27 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.347 -1.711 18732 8614 1 27 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.727 -2.615 18732 8615 1 27 . 1 1 45 45 ASP N N 45 115.145 115.145 114.221 0.924 18732 8616 1 27 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.779 -0.029 18732 8617 1 27 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.245 -2.145 18732 8618 1 27 . 1 1 45 45 ASP CB C 45 38.693 38.693 39.859 -1.166 18732 8619 1 27 . 1 1 46 46 GLU N N 46 118.274 118.274 117.804 0.470 18732 8620 1 27 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.554 -0.087 18732 8621 1 27 . 1 1 46 46 GLU CA C 46 53.722 53.722 56.540 -2.818 18732 8622 1 27 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.914 -3.844 18732 8623 1 27 . 1 1 47 47 ALA N N 47 127.506 127.506 122.185 5.321 18732 8624 1 27 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.858 -0.164 18732 8625 1 27 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.926 -2.818 18732 8626 1 27 . 1 1 47 47 ALA CB C 47 18.842 18.842 21.832 -2.990 18732 8627 1 27 . 1 1 48 48 VAL N N 48 118.088 118.088 117.479 0.609 18732 8628 1 27 . 1 1 48 48 VAL HA H 48 5.345 5.345 5.149 0.196 18732 8629 1 27 . 1 1 48 48 VAL CA C 48 57.625 57.625 59.671 -2.046 18732 8630 1 27 . 1 1 48 48 VAL CB C 48 33.496 33.496 33.962 -0.466 18732 8631 1 27 . 1 1 49 49 LYS N N 49 124.725 124.725 127.100 -2.375 18732 8632 1 27 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.641 0.716 18732 8633 1 27 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.627 -3.588 18732 8634 1 27 . 1 1 50 50 GLN N N 50 121.028 121.028 119.544 1.484 18732 8635 1 27 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.814 0.172 18732 8636 1 27 . 1 1 50 50 GLN CA C 50 52.113 52.113 56.340 -4.227 18732 8637 1 27 . 1 1 50 50 GLN CB C 50 23.684 23.684 30.105 -6.421 18732 8638 1 27 . 1 1 51 51 TYR N N 51 124.549 124.549 116.638 7.911 18732 8639 1 27 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.963 0.255 18732 8640 1 27 . 1 1 51 51 TYR CA C 51 54.550 54.550 56.959 -2.409 18732 8641 1 27 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.857 -2.577 18732 8642 1 27 . 1 1 52 52 HIS N N 52 121.301 121.301 120.486 0.815 18732 8643 1 27 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.186 0.033 18732 8644 1 27 . 1 1 52 52 HIS CA C 52 51.708 51.708 54.286 -2.579 18732 8645 1 27 . 1 1 52 52 HIS CB C 52 28.907 28.907 32.370 -3.463 18732 8646 1 27 . 1 1 53 53 LEU N N 53 127.743 127.743 125.948 1.795 18732 8647 1 27 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.501 0.707 18732 8648 1 27 . 1 1 53 53 LEU CA C 53 50.887 50.887 54.165 -3.278 18732 8649 1 27 . 1 1 53 53 LEU CB C 53 42.084 42.084 46.653 -4.569 18732 8650 1 27 . 1 1 54 54 THR N N 54 117.996 117.996 117.206 0.790 18732 8651 1 27 . 1 1 54 54 THR HA H 54 4.600 4.600 4.554 0.046 18732 8652 1 27 . 1 1 54 54 THR CA C 54 59.774 59.774 61.718 -1.944 18732 8653 1 27 . 1 1 54 54 THR CB C 54 67.153 67.153 69.788 -2.635 18732 8654 1 27 . 1 1 55 55 LEU N N 55 129.329 129.329 122.180 7.149 18732 8655 1 27 . 1 1 55 55 LEU HA H 55 5.074 5.074 5.013 0.061 18732 8656 1 27 . 1 1 55 55 LEU CA C 55 50.769 50.769 52.288 -1.519 18732 8657 1 27 . 1 1 55 55 LEU CB C 55 42.090 42.090 44.239 -2.149 18732 8658 1 27 . 1 1 56 56 ARG N N 56 117.231 117.231 119.937 -2.706 18732 8659 1 27 . 1 1 56 56 ARG HA H 56 5.357 5.357 5.007 0.350 18732 8660 1 27 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.917 -3.042 18732 8661 1 27 . 1 1 56 56 ARG CB C 56 31.945 31.945 33.788 -1.843 18732 8662 1 27 . 1 1 57 57 GLU N N 57 128.411 128.411 128.667 -0.256 18732 8663 1 27 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.795 -0.104 18732 8664 1 27 . 1 1 57 57 GLU CA C 57 52.864 52.864 54.839 -1.975 18732 8665 1 27 . 1 1 57 57 GLU CB C 57 29.942 29.942 31.608 -1.666 18732 8666 1 27 . 1 1 58 58 GLY N N 58 118.265 118.265 116.964 1.301 18732 8667 1 27 . 1 1 58 58 GLY CA C 58 44.943 44.943 46.871 -1.928 18732 8668 1 27 . 1 1 59 59 SER N N 59 122.061 122.061 119.319 2.742 18732 8669 1 27 . 1 1 59 59 SER HA H 59 4.567 4.567 4.504 0.063 18732 8670 1 27 . 1 1 59 59 SER CA C 59 55.730 55.730 58.395 -2.665 18732 8671 1 27 . 1 1 59 59 SER CB C 59 61.262 61.262 62.898 -1.636 18732 8672 1 27 . 1 1 60 60 LYS N N 60 124.154 124.154 121.840 2.314 18732 8673 1 27 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.656 -0.036 18732 8674 1 27 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.775 -2.331 18732 8675 1 27 . 1 1 60 60 LYS CB C 60 32.144 32.144 35.926 -3.782 18732 8676 1 27 . 1 1 61 61 GLU N N 61 125.701 125.701 124.490 1.211 18732 8677 1 27 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.481 0.032 18732 8678 1 27 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.298 -3.192 18732 8679 1 27 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.505 -2.965 18732 8680 1 27 . 1 1 62 62 PHE N N 62 121.360 121.360 118.716 2.644 18732 8681 1 27 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.943 0.103 18732 8682 1 27 . 1 1 62 62 PHE CA C 62 53.363 53.363 56.009 -2.646 18732 8683 1 27 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.728 -3.929 18732 8684 1 27 . 1 1 63 63 GLY N N 63 107.546 107.546 108.485 -0.939 18732 8685 1 27 . 1 1 63 63 GLY CA C 63 41.632 41.632 44.217 -2.585 18732 8686 1 27 . 1 1 64 64 VAL N N 64 115.031 115.031 117.995 -2.964 18732 8687 1 27 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.531 0.489 18732 8688 1 27 . 1 1 64 64 VAL CA C 64 57.030 57.030 60.152 -3.122 18732 8689 1 27 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.474 -1.322 18732 8690 1 27 . 1 1 65 65 PHE N N 65 122.208 122.208 119.397 2.811 18732 8691 1 27 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.596 0.036 18732 8692 1 27 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.181 -2.181 18732 8693 1 27 . 1 1 65 65 PHE CB C 65 39.295 39.295 43.438 -4.143 18732 8694 1 27 . 1 1 66 66 VAL N N 66 123.832 123.832 120.999 2.833 18732 8695 1 27 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.513 0.644 18732 8696 1 27 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.618 -2.984 18732 8697 1 27 . 1 1 66 66 VAL CB C 66 32.312 32.312 33.989 -1.677 18732 8698 1 27 . 1 1 67 67 THR N N 67 125.293 125.293 124.317 0.976 18732 8699 1 27 . 1 1 67 67 THR CA C 67 57.150 57.150 62.248 -5.098 18732 8700 1 27 . 1 1 67 67 THR CB C 67 67.050 67.050 69.218 -2.168 18732 8701 1 27 . 1 1 68 68 ILE N N 68 128.624 128.624 128.903 -0.279 18732 8702 1 27 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.405 0.458 18732 8703 1 27 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.726 -2.493 18732 8704 1 27 . 1 1 68 68 ILE CB C 68 39.314 39.314 40.648 -1.334 18732 8705 1 27 . 1 1 69 69 SER N N 69 122.023 122.023 122.056 -0.033 18732 8706 1 27 . 1 1 69 69 SER HA H 69 5.804 5.804 5.390 0.414 18732 8707 1 27 . 1 1 69 69 SER CA C 69 53.530 53.530 56.127 -2.597 18732 8708 1 27 . 1 1 69 69 SER CB C 69 61.921 61.921 64.705 -2.784 18732 8709 1 27 . 1 1 70 70 PHE N N 70 123.800 123.800 123.372 0.428 18732 8710 1 27 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.488 -0.111 18732 8711 1 27 . 1 1 70 70 PHE CA C 70 53.143 53.143 54.851 -1.708 18732 8712 1 27 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.507 -1.139 18732 8713 1 27 . 1 1 71 71 ASP N N 71 121.547 121.547 117.769 3.778 18732 8714 1 27 . 1 1 71 71 ASP HA H 71 5.099 5.099 4.985 0.114 18732 8715 1 27 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.259 -2.037 18732 8716 1 27 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.166 -3.321 18732 8717 1 27 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.649 -0.284 18732 8718 1 27 . 1 1 72 72 PRO CA C 72 61.599 61.599 63.511 -1.912 18732 8719 1 27 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.144 -2.478 18732 8720 1 27 . 1 1 73 73 TYR N N 73 118.085 118.085 120.258 -2.173 18732 8721 1 27 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.436 0.190 18732 8722 1 27 . 1 1 73 73 TYR CA C 73 57.330 57.330 58.893 -1.563 18732 8723 1 27 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.501 -2.921 18732 8724 1 27 . 1 1 74 74 SER N N 74 113.942 113.942 110.704 3.238 18732 8725 1 27 . 1 1 74 74 SER HA H 74 4.506 4.506 4.673 -0.167 18732 8726 1 27 . 1 1 74 74 SER CA C 74 56.253 56.253 58.457 -2.204 18732 8727 1 27 . 1 1 74 74 SER CB C 74 62.670 62.670 63.963 -1.293 18732 8728 1 27 . 1 1 75 75 GLN N N 75 115.717 115.717 117.539 -1.822 18732 8729 1 27 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.559 -0.315 18732 8730 1 27 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.123 -1.551 18732 8731 1 27 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.499 -2.876 18732 8732 1 27 . 1 1 76 76 LYS N N 76 119.205 119.205 121.359 -2.154 18732 8733 1 27 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.286 0.158 18732 8734 1 27 . 1 1 76 76 LYS CA C 76 54.013 54.013 56.301 -2.288 18732 8735 1 27 . 1 1 76 76 LYS CB C 76 31.375 31.375 32.626 -1.251 18732 8736 1 27 . 1 1 77 77 VAL N N 77 125.587 125.587 127.441 -1.854 18732 8737 1 27 . 1 1 77 77 VAL HA H 77 4.004 4.004 3.917 0.087 18732 8738 1 27 . 1 1 77 77 VAL CA C 77 61.558 61.558 64.243 -2.684 18732 8739 1 27 . 1 1 77 77 VAL CB C 77 30.401 30.401 32.060 -1.659 18732 8740 1 27 . 1 1 78 78 ASN N N 78 126.604 126.604 127.532 -0.928 18732 8741 1 27 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.884 0.066 18732 8742 1 27 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.172 -2.595 18732 8743 1 27 . 1 1 78 78 ASN CB C 78 37.361 37.361 40.343 -2.982 18732 8744 1 27 . 1 1 79 79 LYS N N 79 118.463 118.463 119.485 -1.022 18732 8745 1 27 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.631 -0.013 18732 8746 1 27 . 1 1 79 79 LYS CA C 79 53.572 53.572 56.309 -2.737 18732 8747 1 27 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.181 -2.652 18732 8748 1 27 . 1 1 80 80 ILE N N 80 123.294 123.294 122.661 0.633 18732 8749 1 27 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.245 -0.174 18732 8750 1 27 . 1 1 80 80 ILE CA C 80 57.696 57.696 60.024 -2.328 18732 8751 1 27 . 1 1 80 80 ILE CB C 80 38.260 38.260 41.811 -3.551 18732 8752 1 27 . 1 1 81 81 ALA N N 81 130.466 130.466 128.710 1.756 18732 8753 1 27 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.812 0.224 18732 8754 1 27 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.391 -3.168 18732 8755 1 27 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.385 -2.311 18732 8756 1 27 . 1 1 82 82 ILE N N 82 122.249 122.249 118.475 3.774 18732 8757 1 27 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.689 0.553 18732 8758 1 27 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.896 -2.221 18732 8759 1 27 . 1 1 82 82 ILE CB C 82 37.792 37.792 40.994 -3.202 18732 8760 1 27 . 1 1 83 83 LEU N N 83 129.605 129.605 124.622 4.983 18732 8761 1 27 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.913 0.041 18732 8762 1 27 . 1 1 83 83 LEU CA C 83 51.332 51.332 54.551 -3.219 18732 8763 1 27 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.614 -3.139 18732 8764 1 27 . 1 1 84 84 GLU N N 84 125.594 125.594 122.953 2.641 18732 8765 1 27 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.854 -0.142 18732 8766 1 27 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.341 -0.951 18732 8767 1 27 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.155 -5.033 18732 8768 1 27 . 1 1 85 85 GLU N N 85 123.904 123.904 124.575 -0.671 18732 8769 1 27 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.454 -0.025 18732 8770 1 27 . 1 1 85 85 GLU CA C 85 53.896 53.896 55.971 -2.075 18732 8771 1 27 . 1 1 85 85 GLU CB C 85 28.642 28.642 31.222 -2.580 18732 8772 1 27 . 1 1 86 86 TYR N N 86 123.323 123.323 119.604 3.719 18732 8773 1 27 . 1 1 86 86 TYR HA H 86 4.721 4.721 5.085 -0.364 18732 8774 1 27 . 1 1 86 86 TYR CA C 86 53.909 53.909 56.873 -2.964 18732 8775 1 27 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.796 -3.200 18732 8776 1 28 . 1 1 2 2 GLU N N 2 120.598 120.598 121.072 -0.474 18732 8777 1 28 . 1 1 2 2 GLU CA C 2 53.965 53.965 56.478 -2.513 18732 8778 1 28 . 1 1 2 2 GLU CB C 2 27.978 27.978 30.047 -2.069 18732 8779 1 28 . 1 1 3 3 GLU N N 3 120.984 120.984 119.341 1.643 18732 8780 1 28 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.191 0.007 18732 8781 1 28 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.260 2.775 18732 8782 1 28 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.072 0.196 18732 8783 1 28 . 1 1 4 4 THR N N 4 117.936 117.936 108.057 9.879 18732 8784 1 28 . 1 1 4 4 THR HA H 4 4.665 4.665 4.540 0.125 18732 8785 1 28 . 1 1 4 4 THR CA C 4 57.307 57.307 58.673 -1.366 18732 8786 1 28 . 1 1 4 4 THR CB C 4 67.215 67.215 70.190 -2.975 18732 8787 1 28 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.259 -2.519 18732 8788 1 28 . 1 1 5 5 PRO CB C 5 29.700 29.700 32.041 -2.341 18732 8789 1 28 . 1 1 6 6 LEU N N 6 122.097 122.097 120.612 1.485 18732 8790 1 28 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.476 -0.095 18732 8791 1 28 . 1 1 6 6 LEU CA C 6 53.015 53.015 53.937 -0.922 18732 8792 1 28 . 1 1 6 6 LEU CB C 6 40.054 40.054 40.216 -0.162 18732 8793 1 28 . 1 1 8 8 THR N N 8 116.987 116.987 117.106 -0.119 18732 8794 1 28 . 1 1 8 8 THR HA H 8 4.348 4.348 4.439 -0.091 18732 8795 1 28 . 1 1 8 8 THR CA C 8 59.340 59.340 62.252 -2.912 18732 8796 1 28 . 1 1 8 8 THR CB C 8 67.234 67.234 68.812 -1.579 18732 8797 1 28 . 1 1 9 9 ALA N N 9 125.944 125.944 127.582 -1.638 18732 8798 1 28 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.581 -0.207 18732 8799 1 28 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.297 -2.288 18732 8800 1 28 . 1 1 9 9 ALA CB C 9 16.807 16.807 19.833 -3.026 18732 8801 1 28 . 1 1 10 10 ARG N N 10 119.637 119.637 121.147 -1.510 18732 8802 1 28 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.583 -0.260 18732 8803 1 28 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.099 -1.567 18732 8804 1 28 . 1 1 10 10 ARG CB C 10 28.492 28.492 30.723 -2.231 18732 8805 1 28 . 1 1 11 11 HIS N N 11 119.667 119.667 121.130 -1.463 18732 8806 1 28 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.582 0.135 18732 8807 1 28 . 1 1 11 11 HIS CA C 11 52.790 52.790 56.374 -3.584 18732 8808 1 28 . 1 1 11 11 HIS CB C 11 27.033 27.033 28.650 -1.617 18732 8809 1 28 . 1 1 12 12 MET N N 12 122.280 122.280 126.093 -3.813 18732 8810 1 28 . 1 1 12 12 MET HA H 12 4.543 4.543 4.716 -0.173 18732 8811 1 28 . 1 1 12 12 MET CA C 12 53.058 53.058 54.927 -1.869 18732 8812 1 28 . 1 1 12 12 MET CB C 12 29.647 29.647 33.882 -4.235 18732 8813 1 28 . 1 1 13 13 SER N N 13 118.363 118.363 119.301 -0.938 18732 8814 1 28 . 1 1 13 13 SER HA H 13 4.515 4.515 4.889 -0.374 18732 8815 1 28 . 1 1 13 13 SER CA C 13 55.083 55.083 57.210 -2.127 18732 8816 1 28 . 1 1 13 13 SER CB C 13 62.243 62.243 65.557 -3.314 18732 8817 1 28 . 1 1 14 14 LYS N N 14 123.039 123.039 123.245 -0.206 18732 8818 1 28 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.804 0.122 18732 8819 1 28 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.634 -2.754 18732 8820 1 28 . 1 1 14 14 LYS CB C 14 29.495 29.495 32.004 -2.509 18732 8821 1 28 . 1 1 15 15 TRP N N 15 118.585 118.585 117.456 1.129 18732 8822 1 28 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.624 -0.245 18732 8823 1 28 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.929 -1.360 18732 8824 1 28 . 1 1 15 15 TRP CB C 15 27.426 27.426 28.573 -1.147 18732 8825 1 28 . 1 1 16 16 GLU N N 16 119.418 119.418 121.579 -2.161 18732 8826 1 28 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.519 -0.543 18732 8827 1 28 . 1 1 16 16 GLU CA C 16 56.540 56.540 59.451 -2.911 18732 8828 1 28 . 1 1 16 16 GLU CB C 16 27.787 27.787 28.261 -0.474 18732 8829 1 28 . 1 1 17 17 GLU N N 17 117.377 117.377 119.856 -2.479 18732 8830 1 28 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.011 -0.101 18732 8831 1 28 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.012 -2.114 18732 8832 1 28 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.329 -2.476 18732 8833 1 28 . 1 1 18 18 ILE N N 18 119.807 119.807 119.980 -0.173 18732 8834 1 28 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.678 -0.010 18732 8835 1 28 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.278 -2.533 18732 8836 1 28 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.704 -2.041 18732 8837 1 28 . 1 1 19 19 ALA N N 19 121.744 121.744 122.434 -0.690 18732 8838 1 28 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.063 -0.108 18732 8839 1 28 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.507 -2.064 18732 8840 1 28 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.351 -3.077 18732 8841 1 28 . 1 1 20 20 VAL N N 20 115.918 115.918 118.102 -2.184 18732 8842 1 28 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.528 -0.129 18732 8843 1 28 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.606 -2.277 18732 8844 1 28 . 1 1 20 20 VAL CB C 20 29.404 29.404 30.896 -1.492 18732 8845 1 28 . 1 1 21 21 LYS N N 21 119.785 119.785 119.691 0.094 18732 8846 1 28 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.951 -0.030 18732 8847 1 28 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.111 -2.669 18732 8848 1 28 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.225 1.287 18732 8849 1 28 . 1 1 22 22 GLU N N 22 118.955 118.955 119.726 -0.771 18732 8850 1 28 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.053 0.016 18732 8851 1 28 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.506 -3.245 18732 8852 1 28 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.650 -3.554 18732 8853 1 28 . 1 1 23 23 ALA N N 23 122.253 122.253 118.827 3.426 18732 8854 1 28 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.237 -0.136 18732 8855 1 28 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.363 -1.137 18732 8856 1 28 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.634 -3.125 18732 8857 1 28 . 1 1 24 24 LYS N N 24 116.889 116.889 115.954 0.935 18732 8858 1 28 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.317 -0.298 18732 8859 1 28 . 1 1 24 24 LYS CA C 24 55.745 55.745 58.316 -2.571 18732 8860 1 28 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.210 -4.025 18732 8861 1 28 . 1 1 25 25 LYS N N 25 117.772 117.772 120.443 -2.671 18732 8862 1 28 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.275 -0.252 18732 8863 1 28 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.684 -2.344 18732 8864 1 28 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.304 -2.102 18732 8865 1 28 . 1 1 26 26 ARG N N 26 117.176 117.176 119.407 -2.231 18732 8866 1 28 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.083 -0.026 18732 8867 1 28 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.324 -3.333 18732 8868 1 28 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.470 -2.436 18732 8869 1 28 . 1 1 27 27 TYR N N 27 117.344 117.344 117.630 -0.286 18732 8870 1 28 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.831 0.251 18732 8871 1 28 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.652 -3.094 18732 8872 1 28 . 1 1 27 27 TYR CB C 27 35.987 35.987 39.144 -3.157 18732 8873 1 28 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.514 0.235 18732 8874 1 28 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.126 -1.733 18732 8875 1 28 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.150 -2.295 18732 8876 1 28 . 1 1 29 29 LEU N N 29 117.758 117.758 118.538 -0.780 18732 8877 1 28 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.507 0.082 18732 8878 1 28 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.576 -3.002 18732 8879 1 28 . 1 1 29 29 LEU CB C 29 38.890 38.890 42.410 -3.520 18732 8880 1 28 . 1 1 30 30 ALA N N 30 122.493 122.493 118.539 3.954 18732 8881 1 28 . 1 1 30 30 ALA HA H 30 4.851 4.851 5.050 -0.199 18732 8882 1 28 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.729 -1.874 18732 8883 1 28 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.578 -2.910 18732 8884 1 28 . 1 1 31 31 GLN N N 31 118.936 118.936 119.181 -0.245 18732 8885 1 28 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.678 -0.039 18732 8886 1 28 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.230 -2.959 18732 8887 1 28 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.101 -3.258 18732 8888 1 28 . 1 1 32 32 VAL N N 32 123.815 123.815 121.169 2.646 18732 8889 1 28 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.113 0.552 18732 8890 1 28 . 1 1 32 32 VAL CA C 32 60.265 60.265 62.341 -2.076 18732 8891 1 28 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.856 -3.978 18732 8892 1 28 . 1 1 33 33 LEU N N 33 128.709 128.709 126.459 2.250 18732 8893 1 28 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.573 -0.331 18732 8894 1 28 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.236 -0.853 18732 8895 1 28 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.965 -1.842 18732 8896 1 28 . 1 1 34 34 PHE N N 34 114.779 114.779 118.652 -3.873 18732 8897 1 28 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.627 -0.721 18732 8898 1 28 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.095 -3.180 18732 8899 1 28 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.368 -2.715 18732 8900 1 28 . 1 1 35 35 LYS N N 35 120.077 120.077 120.195 -0.118 18732 8901 1 28 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.536 0.702 18732 8902 1 28 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.833 -3.536 18732 8903 1 28 . 1 1 35 35 LYS CB C 35 32.998 32.998 32.768 0.230 18732 8904 1 28 . 1 1 36 36 GLN N N 36 119.491 119.491 121.132 -1.641 18732 8905 1 28 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.523 0.713 18732 8906 1 28 . 1 1 36 36 GLN CA C 36 52.197 52.197 55.450 -3.253 18732 8907 1 28 . 1 1 36 36 GLN CB C 36 30.609 30.609 31.326 -0.717 18732 8908 1 28 . 1 1 37 37 LYS N N 37 128.471 128.471 120.412 8.059 18732 8909 1 28 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.009 0.786 18732 8910 1 28 . 1 1 37 37 LYS CA C 37 54.661 54.661 57.244 -2.583 18732 8911 1 28 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.332 -2.059 18732 8912 1 28 . 1 1 38 38 VAL N N 38 125.112 125.112 116.348 8.764 18732 8913 1 28 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.387 -0.050 18732 8914 1 28 . 1 1 38 38 VAL CA C 38 60.252 60.252 60.013 0.239 18732 8915 1 28 . 1 1 38 38 VAL CB C 38 30.720 30.720 34.909 -4.189 18732 8916 1 28 . 1 1 39 39 TRP N N 39 123.085 123.085 123.725 -0.640 18732 8917 1 28 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.457 0.392 18732 8918 1 28 . 1 1 39 39 TRP CA C 39 54.206 54.206 58.625 -4.419 18732 8919 1 28 . 1 1 39 39 TRP CB C 39 30.461 30.461 30.138 0.323 18732 8920 1 28 . 1 1 40 40 ASP N N 40 123.000 123.000 124.332 -1.332 18732 8921 1 28 . 1 1 40 40 ASP HA H 40 5.128 5.128 5.062 0.066 18732 8922 1 28 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.004 -1.899 18732 8923 1 28 . 1 1 40 40 ASP CB C 40 41.077 41.077 42.887 -1.810 18732 8924 1 28 . 1 1 41 41 ARG N N 41 123.259 123.259 122.092 1.167 18732 8925 1 28 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.355 0.193 18732 8926 1 28 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.617 -1.994 18732 8927 1 28 . 1 1 41 41 ARG CB C 41 31.417 31.417 33.871 -2.454 18732 8928 1 28 . 1 1 42 42 LYS N N 42 124.798 124.798 120.447 4.351 18732 8929 1 28 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.613 0.075 18732 8930 1 28 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.873 -1.100 18732 8931 1 28 . 1 1 42 42 LYS CB C 42 31.787 31.787 35.182 -3.395 18732 8932 1 28 . 1 1 43 43 ARG N N 43 124.461 124.461 121.178 3.283 18732 8933 1 28 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.550 0.099 18732 8934 1 28 . 1 1 43 43 ARG CA C 43 52.179 52.179 54.062 -1.883 18732 8935 1 28 . 1 1 43 43 ARG CB C 43 30.149 30.149 31.396 -1.247 18732 8936 1 28 . 1 1 44 44 LYS N N 44 121.297 121.297 120.066 1.231 18732 8937 1 28 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.175 -0.152 18732 8938 1 28 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.490 -1.854 18732 8939 1 28 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.358 -2.247 18732 8940 1 28 . 1 1 45 45 ASP N N 45 115.145 115.145 112.709 2.436 18732 8941 1 28 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.834 -0.084 18732 8942 1 28 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.746 -2.646 18732 8943 1 28 . 1 1 45 45 ASP CB C 45 38.693 38.693 40.961 -2.268 18732 8944 1 28 . 1 1 46 46 GLU N N 46 118.274 118.274 118.233 0.041 18732 8945 1 28 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.661 -0.194 18732 8946 1 28 . 1 1 46 46 GLU CA C 46 53.722 53.722 56.313 -2.591 18732 8947 1 28 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.929 -3.860 18732 8948 1 28 . 1 1 47 47 ALA N N 47 127.506 127.506 122.800 4.706 18732 8949 1 28 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.678 0.016 18732 8950 1 28 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.563 -2.455 18732 8951 1 28 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.103 -3.261 18732 8952 1 28 . 1 1 48 48 VAL N N 48 118.088 118.088 116.163 1.925 18732 8953 1 28 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.725 0.620 18732 8954 1 28 . 1 1 48 48 VAL CA C 48 57.625 57.625 60.717 -3.092 18732 8955 1 28 . 1 1 48 48 VAL CB C 48 33.496 33.496 35.155 -1.659 18732 8956 1 28 . 1 1 49 49 LYS N N 49 124.725 124.725 122.187 2.538 18732 8957 1 28 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.975 0.382 18732 8958 1 28 . 1 1 49 49 LYS CA C 49 52.039 52.039 56.069 -4.030 18732 8959 1 28 . 1 1 50 50 GLN N N 50 121.028 121.028 121.591 -0.563 18732 8960 1 28 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.758 0.228 18732 8961 1 28 . 1 1 50 50 GLN CA C 50 52.113 52.113 53.605 -1.492 18732 8962 1 28 . 1 1 50 50 GLN CB C 50 23.684 23.684 32.551 -8.867 18732 8963 1 28 . 1 1 51 51 TYR N N 51 124.549 124.549 117.027 7.522 18732 8964 1 28 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.899 0.319 18732 8965 1 28 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.359 -2.809 18732 8966 1 28 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.297 -2.017 18732 8967 1 28 . 1 1 52 52 HIS N N 52 121.301 121.301 121.031 0.270 18732 8968 1 28 . 1 1 52 52 HIS HA H 52 5.219 5.219 4.994 0.225 18732 8969 1 28 . 1 1 52 52 HIS CA C 52 51.708 51.708 53.782 -2.075 18732 8970 1 28 . 1 1 52 52 HIS CB C 52 28.907 28.907 32.564 -3.657 18732 8971 1 28 . 1 1 53 53 LEU N N 53 127.743 127.743 127.973 -0.230 18732 8972 1 28 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.619 0.589 18732 8973 1 28 . 1 1 53 53 LEU CA C 53 50.887 50.887 53.185 -2.298 18732 8974 1 28 . 1 1 53 53 LEU CB C 53 42.084 42.084 44.374 -2.290 18732 8975 1 28 . 1 1 54 54 THR N N 54 117.996 117.996 120.492 -2.496 18732 8976 1 28 . 1 1 54 54 THR HA H 54 4.600 4.600 4.179 0.421 18732 8977 1 28 . 1 1 54 54 THR CA C 54 59.774 59.774 63.764 -3.990 18732 8978 1 28 . 1 1 54 54 THR CB C 54 67.153 67.153 69.216 -2.063 18732 8979 1 28 . 1 1 55 55 LEU N N 55 129.329 129.329 126.554 2.775 18732 8980 1 28 . 1 1 55 55 LEU HA H 55 5.074 5.074 5.095 -0.021 18732 8981 1 28 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.433 -2.664 18732 8982 1 28 . 1 1 55 55 LEU CB C 55 42.090 42.090 44.145 -2.054 18732 8983 1 28 . 1 1 56 56 ARG N N 56 117.231 117.231 120.037 -2.806 18732 8984 1 28 . 1 1 56 56 ARG HA H 56 5.357 5.357 5.118 0.239 18732 8985 1 28 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.570 -2.695 18732 8986 1 28 . 1 1 56 56 ARG CB C 56 31.945 31.945 33.706 -1.762 18732 8987 1 28 . 1 1 57 57 GLU N N 57 128.411 128.411 128.534 -0.123 18732 8988 1 28 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.913 -0.222 18732 8989 1 28 . 1 1 57 57 GLU CA C 57 52.864 52.864 54.942 -2.078 18732 8990 1 28 . 1 1 57 57 GLU CB C 57 29.942 29.942 32.591 -2.649 18732 8991 1 28 . 1 1 58 58 GLY N N 58 118.265 118.265 116.574 1.691 18732 8992 1 28 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.215 -2.272 18732 8993 1 28 . 1 1 59 59 SER N N 59 122.061 122.061 119.735 2.326 18732 8994 1 28 . 1 1 59 59 SER HA H 59 4.567 4.567 4.667 -0.100 18732 8995 1 28 . 1 1 59 59 SER CA C 59 55.730 55.730 58.285 -2.555 18732 8996 1 28 . 1 1 59 59 SER CB C 59 61.262 61.262 64.076 -2.814 18732 8997 1 28 . 1 1 60 60 LYS N N 60 124.154 124.154 123.721 0.433 18732 8998 1 28 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.475 0.145 18732 8999 1 28 . 1 1 60 60 LYS CA C 60 53.444 53.444 56.099 -2.655 18732 9000 1 28 . 1 1 60 60 LYS CB C 60 32.144 32.144 34.285 -2.141 18732 9001 1 28 . 1 1 61 61 GLU N N 61 125.701 125.701 125.247 0.454 18732 9002 1 28 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.383 0.131 18732 9003 1 28 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.302 -3.196 18732 9004 1 28 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.311 -2.771 18732 9005 1 28 . 1 1 62 62 PHE N N 62 121.360 121.360 121.650 -0.290 18732 9006 1 28 . 1 1 62 62 PHE HA H 62 5.046 5.046 5.321 -0.275 18732 9007 1 28 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.845 -2.482 18732 9008 1 28 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.799 -4.000 18732 9009 1 28 . 1 1 63 63 GLY N N 63 107.546 107.546 107.515 0.031 18732 9010 1 28 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.825 -2.193 18732 9011 1 28 . 1 1 64 64 VAL N N 64 115.031 115.031 117.160 -2.129 18732 9012 1 28 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.875 0.145 18732 9013 1 28 . 1 1 64 64 VAL CA C 64 57.030 57.030 60.031 -3.001 18732 9014 1 28 . 1 1 64 64 VAL CB C 64 34.152 34.152 34.644 -0.492 18732 9015 1 28 . 1 1 65 65 PHE N N 65 122.208 122.208 127.094 -4.886 18732 9016 1 28 . 1 1 65 65 PHE HA H 65 5.632 5.632 4.913 0.719 18732 9017 1 28 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.465 -2.466 18732 9018 1 28 . 1 1 65 65 PHE CB C 65 39.295 39.295 39.298 -0.003 18732 9019 1 28 . 1 1 66 66 VAL N N 66 123.832 123.832 126.105 -2.273 18732 9020 1 28 . 1 1 66 66 VAL HA H 66 5.157 5.157 3.976 1.181 18732 9021 1 28 . 1 1 66 66 VAL CA C 66 58.634 58.634 64.385 -5.752 18732 9022 1 28 . 1 1 66 66 VAL CB C 66 32.312 32.312 31.687 0.625 18732 9023 1 28 . 1 1 67 67 THR N N 67 125.293 125.293 122.788 2.505 18732 9024 1 28 . 1 1 67 67 THR CA C 67 57.150 57.150 61.436 -4.286 18732 9025 1 28 . 1 1 67 67 THR CB C 67 67.050 67.050 69.924 -2.873 18732 9026 1 28 . 1 1 68 68 ILE N N 68 128.624 128.624 127.928 0.696 18732 9027 1 28 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.643 0.220 18732 9028 1 28 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.295 -2.062 18732 9029 1 28 . 1 1 68 68 ILE CB C 68 39.314 39.314 41.938 -2.624 18732 9030 1 28 . 1 1 69 69 SER N N 69 122.023 122.023 120.567 1.456 18732 9031 1 28 . 1 1 69 69 SER HA H 69 5.804 5.804 5.301 0.503 18732 9032 1 28 . 1 1 69 69 SER CA C 69 53.530 53.530 56.947 -3.417 18732 9033 1 28 . 1 1 69 69 SER CB C 69 61.921 61.921 64.781 -2.860 18732 9034 1 28 . 1 1 70 70 PHE N N 70 123.800 123.800 121.074 2.726 18732 9035 1 28 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.455 -0.078 18732 9036 1 28 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.371 -2.228 18732 9037 1 28 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.671 -1.303 18732 9038 1 28 . 1 1 71 71 ASP N N 71 121.547 121.547 118.403 3.144 18732 9039 1 28 . 1 1 71 71 ASP HA H 71 5.099 5.099 4.961 0.138 18732 9040 1 28 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.443 -2.221 18732 9041 1 28 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.595 -3.750 18732 9042 1 28 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.567 -0.202 18732 9043 1 28 . 1 1 72 72 PRO CA C 72 61.599 61.599 63.853 -2.254 18732 9044 1 28 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.217 -2.551 18732 9045 1 28 . 1 1 73 73 TYR N N 73 118.085 118.085 121.166 -3.081 18732 9046 1 28 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.305 0.321 18732 9047 1 28 . 1 1 73 73 TYR CA C 73 57.330 57.330 59.793 -2.463 18732 9048 1 28 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.417 -2.837 18732 9049 1 28 . 1 1 74 74 SER N N 74 113.942 113.942 110.682 3.260 18732 9050 1 28 . 1 1 74 74 SER HA H 74 4.506 4.506 4.610 -0.104 18732 9051 1 28 . 1 1 74 74 SER CA C 74 56.253 56.253 58.054 -1.801 18732 9052 1 28 . 1 1 74 74 SER CB C 74 62.670 62.670 63.855 -1.185 18732 9053 1 28 . 1 1 75 75 GLN N N 75 115.717 115.717 119.564 -3.847 18732 9054 1 28 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.580 -0.336 18732 9055 1 28 . 1 1 75 75 GLN CA C 75 55.572 55.572 56.944 -1.372 18732 9056 1 28 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.761 -3.138 18732 9057 1 28 . 1 1 76 76 LYS N N 76 119.205 119.205 120.541 -1.336 18732 9058 1 28 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.338 0.106 18732 9059 1 28 . 1 1 76 76 LYS CA C 76 54.013 54.013 56.131 -2.118 18732 9060 1 28 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.106 -1.731 18732 9061 1 28 . 1 1 77 77 VAL N N 77 125.587 125.587 126.339 -0.752 18732 9062 1 28 . 1 1 77 77 VAL HA H 77 4.004 4.004 3.958 0.047 18732 9063 1 28 . 1 1 77 77 VAL CA C 77 61.558 61.558 64.034 -2.476 18732 9064 1 28 . 1 1 77 77 VAL CB C 77 30.401 30.401 31.923 -1.522 18732 9065 1 28 . 1 1 78 78 ASN N N 78 126.604 126.604 127.940 -1.336 18732 9066 1 28 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.857 0.093 18732 9067 1 28 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.526 -2.950 18732 9068 1 28 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.715 -2.353 18732 9069 1 28 . 1 1 79 79 LYS N N 79 118.463 118.463 118.252 0.211 18732 9070 1 28 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.731 -0.113 18732 9071 1 28 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.711 -2.139 18732 9072 1 28 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.972 -3.443 18732 9073 1 28 . 1 1 80 80 ILE N N 80 123.294 123.294 118.403 4.891 18732 9074 1 28 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.137 -0.066 18732 9075 1 28 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.890 -2.194 18732 9076 1 28 . 1 1 80 80 ILE CB C 80 38.260 38.260 41.203 -2.943 18732 9077 1 28 . 1 1 81 81 ALA N N 81 130.466 130.466 126.729 3.737 18732 9078 1 28 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.801 0.235 18732 9079 1 28 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.168 -2.946 18732 9080 1 28 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.556 -2.482 18732 9081 1 28 . 1 1 82 82 ILE N N 82 122.249 122.249 119.617 2.632 18732 9082 1 28 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.530 0.712 18732 9083 1 28 . 1 1 82 82 ILE CA C 82 57.675 57.675 60.413 -2.738 18732 9084 1 28 . 1 1 82 82 ILE CB C 82 37.792 37.792 40.626 -2.834 18732 9085 1 28 . 1 1 83 83 LEU N N 83 129.605 129.605 129.379 0.226 18732 9086 1 28 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.876 0.078 18732 9087 1 28 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.320 -1.988 18732 9088 1 28 . 1 1 83 83 LEU CB C 83 43.475 43.475 44.553 -1.078 18732 9089 1 28 . 1 1 84 84 GLU N N 84 125.594 125.594 124.061 1.533 18732 9090 1 28 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.676 0.036 18732 9091 1 28 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.385 -0.995 18732 9092 1 28 . 1 1 84 84 GLU CB C 84 28.122 28.122 32.379 -4.257 18732 9093 1 28 . 1 1 85 85 GLU N N 85 123.904 123.904 127.406 -3.502 18732 9094 1 28 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.532 -0.103 18732 9095 1 28 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.775 -2.879 18732 9096 1 28 . 1 1 85 85 GLU CB C 85 28.642 28.642 31.228 -2.586 18732 9097 1 28 . 1 1 86 86 TYR N N 86 123.323 123.323 119.383 3.940 18732 9098 1 28 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.893 -0.172 18732 9099 1 28 . 1 1 86 86 TYR CA C 86 53.909 53.909 56.324 -2.415 18732 9100 1 28 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.398 -2.802 18732 9101 1 29 . 1 1 2 2 GLU N N 2 120.598 120.598 123.625 -3.027 18732 9102 1 29 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.830 -1.865 18732 9103 1 29 . 1 1 2 2 GLU CB C 2 27.978 27.978 30.062 -2.084 18732 9104 1 29 . 1 1 3 3 GLU N N 3 120.984 120.984 124.133 -3.149 18732 9105 1 29 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.137 0.061 18732 9106 1 29 . 1 1 3 3 GLU CA C 3 60.035 60.035 56.931 3.104 18732 9107 1 29 . 1 1 3 3 GLU CB C 3 30.268 30.268 29.595 0.673 18732 9108 1 29 . 1 1 4 4 THR N N 4 117.936 117.936 107.959 9.977 18732 9109 1 29 . 1 1 4 4 THR HA H 4 4.665 4.665 4.451 0.214 18732 9110 1 29 . 1 1 4 4 THR CA C 4 57.307 57.307 59.286 -1.979 18732 9111 1 29 . 1 1 4 4 THR CB C 4 67.215 67.215 70.598 -3.383 18732 9112 1 29 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.751 -3.011 18732 9113 1 29 . 1 1 5 5 PRO CB C 5 29.700 29.700 31.359 -1.659 18732 9114 1 29 . 1 1 6 6 LEU N N 6 122.097 122.097 117.259 4.838 18732 9115 1 29 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.656 -0.275 18732 9116 1 29 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.324 -1.309 18732 9117 1 29 . 1 1 6 6 LEU CB C 6 40.054 40.054 41.986 -1.932 18732 9118 1 29 . 1 1 8 8 THR N N 8 116.987 116.987 109.552 7.435 18732 9119 1 29 . 1 1 8 8 THR HA H 8 4.348 4.348 4.370 -0.022 18732 9120 1 29 . 1 1 8 8 THR CA C 8 59.340 59.340 60.670 -1.330 18732 9121 1 29 . 1 1 8 8 THR CB C 8 67.234 67.234 71.314 -4.080 18732 9122 1 29 . 1 1 9 9 ALA N N 9 125.944 125.944 122.269 3.675 18732 9123 1 29 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.654 -0.280 18732 9124 1 29 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.262 -2.253 18732 9125 1 29 . 1 1 9 9 ALA CB C 9 16.807 16.807 20.521 -3.714 18732 9126 1 29 . 1 1 10 10 ARG N N 10 119.637 119.637 120.630 -0.993 18732 9127 1 29 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.510 -0.187 18732 9128 1 29 . 1 1 10 10 ARG CA C 10 53.532 53.532 56.173 -2.641 18732 9129 1 29 . 1 1 10 10 ARG CB C 10 28.492 28.492 30.566 -2.074 18732 9130 1 29 . 1 1 11 11 HIS N N 11 119.667 119.667 118.692 0.975 18732 9131 1 29 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.816 -0.099 18732 9132 1 29 . 1 1 11 11 HIS CA C 11 52.790 52.790 55.368 -2.578 18732 9133 1 29 . 1 1 11 11 HIS CB C 11 27.033 27.033 31.700 -4.667 18732 9134 1 29 . 1 1 12 12 MET N N 12 122.280 122.280 126.967 -4.687 18732 9135 1 29 . 1 1 12 12 MET HA H 12 4.543 4.543 4.790 -0.247 18732 9136 1 29 . 1 1 12 12 MET CA C 12 53.058 53.058 55.322 -2.264 18732 9137 1 29 . 1 1 12 12 MET CB C 12 29.647 29.647 34.289 -4.642 18732 9138 1 29 . 1 1 13 13 SER N N 13 118.363 118.363 119.930 -1.567 18732 9139 1 29 . 1 1 13 13 SER HA H 13 4.515 4.515 4.534 -0.019 18732 9140 1 29 . 1 1 13 13 SER CA C 13 55.083 55.083 58.163 -3.080 18732 9141 1 29 . 1 1 13 13 SER CB C 13 62.243 62.243 64.686 -2.443 18732 9142 1 29 . 1 1 14 14 LYS N N 14 123.039 123.039 122.590 0.449 18732 9143 1 29 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.880 0.046 18732 9144 1 29 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.247 -2.367 18732 9145 1 29 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.913 -2.418 18732 9146 1 29 . 1 1 15 15 TRP N N 15 118.585 118.585 116.843 1.742 18732 9147 1 29 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.797 -0.418 18732 9148 1 29 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.717 -1.148 18732 9149 1 29 . 1 1 15 15 TRP CB C 15 27.426 27.426 29.609 -2.183 18732 9150 1 29 . 1 1 16 16 GLU N N 16 119.418 119.418 120.849 -1.431 18732 9151 1 29 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.634 -0.658 18732 9152 1 29 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.087 -3.547 18732 9153 1 29 . 1 1 16 16 GLU CB C 16 27.787 27.787 29.332 -1.545 18732 9154 1 29 . 1 1 17 17 GLU N N 17 117.377 117.377 118.306 -0.929 18732 9155 1 29 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.074 -0.164 18732 9156 1 29 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.407 -2.509 18732 9157 1 29 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.596 -2.744 18732 9158 1 29 . 1 1 18 18 ILE N N 18 119.807 119.807 120.217 -0.410 18732 9159 1 29 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.661 0.007 18732 9160 1 29 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.533 -2.788 18732 9161 1 29 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.799 -2.136 18732 9162 1 29 . 1 1 19 19 ALA N N 19 121.744 121.744 122.073 -0.329 18732 9163 1 29 . 1 1 19 19 ALA HA H 19 3.955 3.955 3.883 0.072 18732 9164 1 29 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.343 -1.900 18732 9165 1 29 . 1 1 19 19 ALA CB C 19 15.274 15.274 17.804 -2.530 18732 9166 1 29 . 1 1 20 20 VAL N N 20 115.918 115.918 117.574 -1.656 18732 9167 1 29 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.610 -0.211 18732 9168 1 29 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.266 -1.937 18732 9169 1 29 . 1 1 20 20 VAL CB C 20 29.404 29.404 30.994 -1.590 18732 9170 1 29 . 1 1 21 21 LYS N N 21 119.785 119.785 120.387 -0.602 18732 9171 1 29 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.914 0.007 18732 9172 1 29 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.612 -3.170 18732 9173 1 29 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.365 1.147 18732 9174 1 29 . 1 1 22 22 GLU N N 22 118.955 118.955 118.988 -0.033 18732 9175 1 29 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.074 -0.005 18732 9176 1 29 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.282 -3.021 18732 9177 1 29 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.352 -3.256 18732 9178 1 29 . 1 1 23 23 ALA N N 23 122.253 122.253 119.709 2.544 18732 9179 1 29 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.312 -0.211 18732 9180 1 29 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.535 -1.309 18732 9181 1 29 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.681 -3.172 18732 9182 1 29 . 1 1 24 24 LYS N N 24 116.889 116.889 115.575 1.314 18732 9183 1 29 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.323 -0.304 18732 9184 1 29 . 1 1 24 24 LYS CA C 24 55.745 55.745 58.099 -2.354 18732 9185 1 29 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.244 -4.059 18732 9186 1 29 . 1 1 25 25 LYS N N 25 117.772 117.772 120.354 -2.582 18732 9187 1 29 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.385 -0.362 18732 9188 1 29 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.177 -1.837 18732 9189 1 29 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.338 -2.136 18732 9190 1 29 . 1 1 26 26 ARG N N 26 117.176 117.176 119.735 -2.559 18732 9191 1 29 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.045 0.012 18732 9192 1 29 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.443 -3.452 18732 9193 1 29 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.381 -2.347 18732 9194 1 29 . 1 1 27 27 TYR N N 27 117.344 117.344 117.777 -0.433 18732 9195 1 29 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.923 0.159 18732 9196 1 29 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.192 -2.634 18732 9197 1 29 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.875 -2.888 18732 9198 1 29 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.360 0.389 18732 9199 1 29 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.956 -2.563 18732 9200 1 29 . 1 1 28 28 PRO CB C 28 29.855 29.855 31.997 -2.142 18732 9201 1 29 . 1 1 29 29 LEU N N 29 117.758 117.758 117.048 0.710 18732 9202 1 29 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.382 0.207 18732 9203 1 29 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.850 -3.276 18732 9204 1 29 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.786 -2.896 18732 9205 1 29 . 1 1 30 30 ALA N N 30 122.493 122.493 117.793 4.700 18732 9206 1 29 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.673 0.178 18732 9207 1 29 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.735 -1.880 18732 9208 1 29 . 1 1 30 30 ALA CB C 30 19.668 19.668 21.842 -2.174 18732 9209 1 29 . 1 1 31 31 GLN N N 31 118.936 118.936 118.068 0.868 18732 9210 1 29 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.739 -0.100 18732 9211 1 29 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.437 -3.166 18732 9212 1 29 . 1 1 31 31 GLN CB C 31 28.843 28.843 33.097 -4.255 18732 9213 1 29 . 1 1 32 32 VAL N N 32 123.815 123.815 123.673 0.142 18732 9214 1 29 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.152 0.513 18732 9215 1 29 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.456 -1.192 18732 9216 1 29 . 1 1 32 32 VAL CB C 32 28.878 28.878 33.361 -4.483 18732 9217 1 29 . 1 1 33 33 LEU N N 33 128.709 128.709 121.201 7.508 18732 9218 1 29 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.825 -0.583 18732 9219 1 29 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.514 -1.131 18732 9220 1 29 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.107 -0.984 18732 9221 1 29 . 1 1 34 34 PHE N N 34 114.779 114.779 119.644 -4.865 18732 9222 1 29 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.739 -0.833 18732 9223 1 29 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.556 -3.641 18732 9224 1 29 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.324 -2.671 18732 9225 1 29 . 1 1 35 35 LYS N N 35 120.077 120.077 121.550 -1.473 18732 9226 1 29 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.636 0.602 18732 9227 1 29 . 1 1 35 35 LYS CA C 35 52.297 52.297 56.085 -3.788 18732 9228 1 29 . 1 1 35 35 LYS CB C 35 32.998 32.998 32.894 0.104 18732 9229 1 29 . 1 1 36 36 GLN N N 36 119.491 119.491 121.861 -2.370 18732 9230 1 29 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.792 0.444 18732 9231 1 29 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.828 -2.631 18732 9232 1 29 . 1 1 36 36 GLN CB C 36 30.609 30.609 33.404 -2.795 18732 9233 1 29 . 1 1 37 37 LYS N N 37 128.471 128.471 120.219 8.252 18732 9234 1 29 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.593 0.202 18732 9235 1 29 . 1 1 37 37 LYS CA C 37 54.661 54.661 55.253 -0.592 18732 9236 1 29 . 1 1 37 37 LYS CB C 37 31.273 31.273 34.134 -2.861 18732 9237 1 29 . 1 1 38 38 VAL N N 38 125.112 125.112 117.664 7.448 18732 9238 1 29 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.418 -0.081 18732 9239 1 29 . 1 1 38 38 VAL CA C 38 60.252 60.252 62.598 -2.346 18732 9240 1 29 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.969 -3.249 18732 9241 1 29 . 1 1 39 39 TRP N N 39 123.085 123.085 120.537 2.548 18732 9242 1 29 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.792 0.057 18732 9243 1 29 . 1 1 39 39 TRP CA C 39 54.206 54.206 56.909 -2.703 18732 9244 1 29 . 1 1 39 39 TRP CB C 39 30.461 30.461 32.044 -1.583 18732 9245 1 29 . 1 1 40 40 ASP N N 40 123.000 123.000 122.569 0.431 18732 9246 1 29 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.603 0.525 18732 9247 1 29 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.889 -2.784 18732 9248 1 29 . 1 1 40 40 ASP CB C 40 41.077 41.077 42.372 -1.295 18732 9249 1 29 . 1 1 41 41 ARG N N 41 123.259 123.259 123.937 -0.678 18732 9250 1 29 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.567 -0.019 18732 9251 1 29 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.551 -1.928 18732 9252 1 29 . 1 1 41 41 ARG CB C 41 31.417 31.417 32.191 -0.774 18732 9253 1 29 . 1 1 42 42 LYS N N 42 124.798 124.798 118.608 6.190 18732 9254 1 29 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.356 0.332 18732 9255 1 29 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.769 -0.996 18732 9256 1 29 . 1 1 42 42 LYS CB C 42 31.787 31.787 35.084 -3.297 18732 9257 1 29 . 1 1 43 43 ARG N N 43 124.461 124.461 120.079 4.382 18732 9258 1 29 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.608 0.041 18732 9259 1 29 . 1 1 43 43 ARG CA C 43 52.179 52.179 54.376 -2.197 18732 9260 1 29 . 1 1 43 43 ARG CB C 43 30.149 30.149 31.507 -1.358 18732 9261 1 29 . 1 1 44 44 LYS N N 44 121.297 121.297 121.508 -0.211 18732 9262 1 29 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.119 -0.096 18732 9263 1 29 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.701 -2.065 18732 9264 1 29 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.379 -2.267 18732 9265 1 29 . 1 1 45 45 ASP N N 45 115.145 115.145 111.527 3.618 18732 9266 1 29 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.785 -0.035 18732 9267 1 29 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.486 -2.386 18732 9268 1 29 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.486 -2.793 18732 9269 1 29 . 1 1 46 46 GLU N N 46 118.274 118.274 118.574 -0.300 18732 9270 1 29 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.601 -0.134 18732 9271 1 29 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.922 -2.200 18732 9272 1 29 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.639 -3.569 18732 9273 1 29 . 1 1 47 47 ALA N N 47 127.506 127.506 120.512 6.994 18732 9274 1 29 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.439 0.255 18732 9275 1 29 . 1 1 47 47 ALA CA C 47 48.108 48.108 51.164 -3.056 18732 9276 1 29 . 1 1 47 47 ALA CB C 47 18.842 18.842 21.392 -2.550 18732 9277 1 29 . 1 1 48 48 VAL N N 48 118.088 118.088 121.871 -3.783 18732 9278 1 29 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.974 0.371 18732 9279 1 29 . 1 1 48 48 VAL CA C 48 57.625 57.625 60.921 -3.296 18732 9280 1 29 . 1 1 48 48 VAL CB C 48 33.496 33.496 34.320 -0.824 18732 9281 1 29 . 1 1 49 49 LYS N N 49 124.725 124.725 126.633 -1.908 18732 9282 1 29 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.621 0.736 18732 9283 1 29 . 1 1 49 49 LYS CA C 49 52.039 52.039 54.937 -2.898 18732 9284 1 29 . 1 1 50 50 GLN N N 50 121.028 121.028 121.493 -0.465 18732 9285 1 29 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.669 0.317 18732 9286 1 29 . 1 1 50 50 GLN CA C 50 52.113 52.113 56.326 -4.213 18732 9287 1 29 . 1 1 50 50 GLN CB C 50 23.684 23.684 30.240 -6.556 18732 9288 1 29 . 1 1 51 51 TYR N N 51 124.549 124.549 121.017 3.532 18732 9289 1 29 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.779 0.439 18732 9290 1 29 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.886 -3.336 18732 9291 1 29 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.256 -1.976 18732 9292 1 29 . 1 1 52 52 HIS N N 52 121.301 121.301 120.879 0.422 18732 9293 1 29 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.250 -0.031 18732 9294 1 29 . 1 1 52 52 HIS CA C 52 51.708 51.708 55.512 -3.804 18732 9295 1 29 . 1 1 52 52 HIS CB C 52 28.907 28.907 31.146 -2.239 18732 9296 1 29 . 1 1 53 53 LEU N N 53 127.743 127.743 125.721 2.022 18732 9297 1 29 . 1 1 53 53 LEU HA H 53 5.208 5.208 5.004 0.204 18732 9298 1 29 . 1 1 53 53 LEU CA C 53 50.887 50.887 53.184 -2.297 18732 9299 1 29 . 1 1 53 53 LEU CB C 53 42.084 42.084 44.310 -2.226 18732 9300 1 29 . 1 1 54 54 THR N N 54 117.996 117.996 113.565 4.431 18732 9301 1 29 . 1 1 54 54 THR HA H 54 4.600 4.600 4.465 0.135 18732 9302 1 29 . 1 1 54 54 THR CA C 54 59.774 59.774 60.887 -1.113 18732 9303 1 29 . 1 1 54 54 THR CB C 54 67.153 67.153 70.213 -3.060 18732 9304 1 29 . 1 1 55 55 LEU N N 55 129.329 129.329 122.308 7.021 18732 9305 1 29 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.713 0.361 18732 9306 1 29 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.535 -2.766 18732 9307 1 29 . 1 1 55 55 LEU CB C 55 42.090 42.090 45.654 -3.564 18732 9308 1 29 . 1 1 56 56 ARG N N 56 117.231 117.231 120.478 -3.247 18732 9309 1 29 . 1 1 56 56 ARG HA H 56 5.357 5.357 5.105 0.252 18732 9310 1 29 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.405 -2.530 18732 9311 1 29 . 1 1 56 56 ARG CB C 56 31.945 31.945 32.963 -1.018 18732 9312 1 29 . 1 1 57 57 GLU N N 57 128.411 128.411 128.812 -0.401 18732 9313 1 29 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.779 -0.088 18732 9314 1 29 . 1 1 57 57 GLU CA C 57 52.864 52.864 54.714 -1.850 18732 9315 1 29 . 1 1 57 57 GLU CB C 57 29.942 29.942 32.284 -2.342 18732 9316 1 29 . 1 1 58 58 GLY N N 58 118.265 118.265 116.940 1.325 18732 9317 1 29 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.498 -2.555 18732 9318 1 29 . 1 1 59 59 SER N N 59 122.061 122.061 119.444 2.617 18732 9319 1 29 . 1 1 59 59 SER HA H 59 4.567 4.567 4.709 -0.142 18732 9320 1 29 . 1 1 59 59 SER CA C 59 55.730 55.730 57.719 -1.989 18732 9321 1 29 . 1 1 59 59 SER CB C 59 61.262 61.262 63.954 -2.692 18732 9322 1 29 . 1 1 60 60 LYS N N 60 124.154 124.154 122.895 1.259 18732 9323 1 29 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.600 0.020 18732 9324 1 29 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.404 -1.960 18732 9325 1 29 . 1 1 60 60 LYS CB C 60 32.144 32.144 35.165 -3.021 18732 9326 1 29 . 1 1 61 61 GLU N N 61 125.701 125.701 123.115 2.586 18732 9327 1 29 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.508 0.006 18732 9328 1 29 . 1 1 61 61 GLU CA C 61 52.106 52.106 54.932 -2.826 18732 9329 1 29 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.558 -3.018 18732 9330 1 29 . 1 1 62 62 PHE N N 62 121.360 121.360 117.945 3.415 18732 9331 1 29 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.867 0.179 18732 9332 1 29 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.832 -2.469 18732 9333 1 29 . 1 1 62 62 PHE CB C 62 37.799 37.799 40.947 -3.147 18732 9334 1 29 . 1 1 63 63 GLY N N 63 107.546 107.546 110.413 -2.867 18732 9335 1 29 . 1 1 63 63 GLY CA C 63 41.632 41.632 44.650 -3.018 18732 9336 1 29 . 1 1 64 64 VAL N N 64 115.031 115.031 120.493 -5.462 18732 9337 1 29 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.731 0.289 18732 9338 1 29 . 1 1 64 64 VAL CA C 64 57.030 57.030 58.666 -1.636 18732 9339 1 29 . 1 1 64 64 VAL CB C 64 34.152 34.152 34.265 -0.113 18732 9340 1 29 . 1 1 65 65 PHE N N 65 122.208 122.208 123.933 -1.725 18732 9341 1 29 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.230 0.402 18732 9342 1 29 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.238 -2.238 18732 9343 1 29 . 1 1 65 65 PHE CB C 65 39.295 39.295 41.946 -2.651 18732 9344 1 29 . 1 1 66 66 VAL N N 66 123.832 123.832 121.825 2.007 18732 9345 1 29 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.580 0.577 18732 9346 1 29 . 1 1 66 66 VAL CA C 66 58.634 58.634 60.822 -2.188 18732 9347 1 29 . 1 1 66 66 VAL CB C 66 32.312 32.312 34.442 -2.130 18732 9348 1 29 . 1 1 67 67 THR N N 67 125.293 125.293 124.302 0.991 18732 9349 1 29 . 1 1 67 67 THR CA C 67 57.150 57.150 61.818 -4.668 18732 9350 1 29 . 1 1 67 67 THR CB C 67 67.050 67.050 69.623 -2.573 18732 9351 1 29 . 1 1 68 68 ILE N N 68 128.624 128.624 128.318 0.306 18732 9352 1 29 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.357 0.506 18732 9353 1 29 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.965 -2.732 18732 9354 1 29 . 1 1 68 68 ILE CB C 68 39.314 39.314 40.336 -1.022 18732 9355 1 29 . 1 1 69 69 SER N N 69 122.023 122.023 123.232 -1.209 18732 9356 1 29 . 1 1 69 69 SER HA H 69 5.804 5.804 5.396 0.408 18732 9357 1 29 . 1 1 69 69 SER CA C 69 53.530 53.530 57.281 -3.751 18732 9358 1 29 . 1 1 69 69 SER CB C 69 61.921 61.921 64.737 -2.816 18732 9359 1 29 . 1 1 70 70 PHE N N 70 123.800 123.800 122.051 1.749 18732 9360 1 29 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.495 -0.118 18732 9361 1 29 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.452 -2.309 18732 9362 1 29 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.300 -0.932 18732 9363 1 29 . 1 1 71 71 ASP N N 71 121.547 121.547 119.383 2.164 18732 9364 1 29 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.133 -0.034 18732 9365 1 29 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.997 -2.775 18732 9366 1 29 . 1 1 71 71 ASP CB C 71 40.845 40.845 43.842 -2.997 18732 9367 1 29 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.507 -0.142 18732 9368 1 29 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.381 -2.782 18732 9369 1 29 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.077 -2.411 18732 9370 1 29 . 1 1 73 73 TYR N N 73 118.085 118.085 120.104 -2.019 18732 9371 1 29 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.306 0.320 18732 9372 1 29 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.367 -3.037 18732 9373 1 29 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.064 -2.484 18732 9374 1 29 . 1 1 74 74 SER N N 74 113.942 113.942 110.832 3.110 18732 9375 1 29 . 1 1 74 74 SER HA H 74 4.506 4.506 4.632 -0.126 18732 9376 1 29 . 1 1 74 74 SER CA C 74 56.253 56.253 57.825 -1.573 18732 9377 1 29 . 1 1 74 74 SER CB C 74 62.670 62.670 63.973 -1.303 18732 9378 1 29 . 1 1 75 75 GLN N N 75 115.717 115.717 119.362 -3.645 18732 9379 1 29 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.602 -0.358 18732 9380 1 29 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.078 -1.506 18732 9381 1 29 . 1 1 75 75 GLN CB C 75 23.623 23.623 27.399 -3.776 18732 9382 1 29 . 1 1 76 76 LYS N N 76 119.205 119.205 119.094 0.111 18732 9383 1 29 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.435 0.009 18732 9384 1 29 . 1 1 76 76 LYS CA C 76 54.013 54.013 55.737 -1.724 18732 9385 1 29 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.520 -2.145 18732 9386 1 29 . 1 1 77 77 VAL N N 77 125.587 125.587 125.843 -0.256 18732 9387 1 29 . 1 1 77 77 VAL HA H 77 4.004 4.004 3.995 0.009 18732 9388 1 29 . 1 1 77 77 VAL CA C 77 61.558 61.558 63.386 -1.828 18732 9389 1 29 . 1 1 77 77 VAL CB C 77 30.401 30.401 31.519 -1.118 18732 9390 1 29 . 1 1 78 78 ASN N N 78 126.604 126.604 127.336 -0.732 18732 9391 1 29 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.664 0.286 18732 9392 1 29 . 1 1 78 78 ASN CA C 78 51.577 51.577 55.252 -3.675 18732 9393 1 29 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.418 -2.057 18732 9394 1 29 . 1 1 79 79 LYS N N 79 118.463 118.463 116.553 1.910 18732 9395 1 29 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.568 0.050 18732 9396 1 29 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.628 -2.056 18732 9397 1 29 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.117 -2.588 18732 9398 1 29 . 1 1 80 80 ILE N N 80 123.294 123.294 119.841 3.453 18732 9399 1 29 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.133 -0.062 18732 9400 1 29 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.273 -1.577 18732 9401 1 29 . 1 1 80 80 ILE CB C 80 38.260 38.260 40.984 -2.724 18732 9402 1 29 . 1 1 81 81 ALA N N 81 130.466 130.466 126.684 3.782 18732 9403 1 29 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.756 0.280 18732 9404 1 29 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.150 -2.928 18732 9405 1 29 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.284 -2.210 18732 9406 1 29 . 1 1 82 82 ILE N N 82 122.249 122.249 119.779 2.470 18732 9407 1 29 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.920 0.322 18732 9408 1 29 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.922 -2.247 18732 9409 1 29 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.412 -3.620 18732 9410 1 29 . 1 1 83 83 LEU N N 83 129.605 129.605 126.566 3.039 18732 9411 1 29 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.973 -0.019 18732 9412 1 29 . 1 1 83 83 LEU CA C 83 51.332 51.332 54.092 -2.760 18732 9413 1 29 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.747 -3.272 18732 9414 1 29 . 1 1 84 84 GLU N N 84 125.594 125.594 124.839 0.755 18732 9415 1 29 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.761 -0.049 18732 9416 1 29 . 1 1 84 84 GLU CA C 84 54.390 54.390 54.948 -0.558 18732 9417 1 29 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.185 -5.063 18732 9418 1 29 . 1 1 85 85 GLU N N 85 123.904 123.904 123.255 0.649 18732 9419 1 29 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.201 0.228 18732 9420 1 29 . 1 1 85 85 GLU CA C 85 53.896 53.896 55.560 -1.665 18732 9421 1 29 . 1 1 85 85 GLU CB C 85 28.642 28.642 31.203 -2.561 18732 9422 1 29 . 1 1 86 86 TYR N N 86 123.323 123.323 119.253 4.070 18732 9423 1 29 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.735 -0.014 18732 9424 1 29 . 1 1 86 86 TYR CA C 86 53.909 53.909 57.540 -3.631 18732 9425 1 29 . 1 1 86 86 TYR CB C 86 36.596 36.596 40.126 -3.530 18732 9426 1 30 . 1 1 2 2 GLU N N 2 120.598 120.598 122.788 -2.190 18732 9427 1 30 . 1 1 2 2 GLU CA C 2 53.965 53.965 56.603 -2.638 18732 9428 1 30 . 1 1 2 2 GLU CB C 2 27.978 27.978 29.809 -1.831 18732 9429 1 30 . 1 1 3 3 GLU N N 3 120.984 120.984 123.398 -2.414 18732 9430 1 30 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.259 -0.061 18732 9431 1 30 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.128 2.907 18732 9432 1 30 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.787 -0.519 18732 9433 1 30 . 1 1 4 4 THR N N 4 117.936 117.936 109.420 8.516 18732 9434 1 30 . 1 1 4 4 THR HA H 4 4.665 4.665 4.520 0.145 18732 9435 1 30 . 1 1 4 4 THR CA C 4 57.307 57.307 58.738 -1.431 18732 9436 1 30 . 1 1 4 4 THR CB C 4 67.215 67.215 70.708 -3.493 18732 9437 1 30 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.020 -2.280 18732 9438 1 30 . 1 1 5 5 PRO CB C 5 29.700 29.700 30.867 -1.167 18732 9439 1 30 . 1 1 6 6 LEU N N 6 122.097 122.097 125.515 -3.418 18732 9440 1 30 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.723 -0.342 18732 9441 1 30 . 1 1 6 6 LEU CA C 6 53.015 53.015 53.760 -0.745 18732 9442 1 30 . 1 1 6 6 LEU CB C 6 40.054 40.054 43.361 -3.307 18732 9443 1 30 . 1 1 8 8 THR N N 8 116.987 116.987 113.495 3.492 18732 9444 1 30 . 1 1 8 8 THR HA H 8 4.348 4.348 4.477 -0.129 18732 9445 1 30 . 1 1 8 8 THR CA C 8 59.340 59.340 62.749 -3.409 18732 9446 1 30 . 1 1 8 8 THR CB C 8 67.234 67.234 70.338 -3.104 18732 9447 1 30 . 1 1 9 9 ALA N N 9 125.944 125.944 125.477 0.467 18732 9448 1 30 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.515 -0.141 18732 9449 1 30 . 1 1 9 9 ALA CA C 9 50.009 50.009 51.895 -1.886 18732 9450 1 30 . 1 1 9 9 ALA CB C 9 16.807 16.807 19.698 -2.890 18732 9451 1 30 . 1 1 10 10 ARG N N 10 119.637 119.637 122.759 -3.122 18732 9452 1 30 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.313 0.010 18732 9453 1 30 . 1 1 10 10 ARG CA C 10 53.532 53.532 56.669 -3.137 18732 9454 1 30 . 1 1 10 10 ARG CB C 10 28.492 28.492 28.920 -0.428 18732 9455 1 30 . 1 1 11 11 HIS N N 11 119.667 119.667 119.961 -0.294 18732 9456 1 30 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.697 0.020 18732 9457 1 30 . 1 1 11 11 HIS CA C 11 52.790 52.790 55.905 -3.115 18732 9458 1 30 . 1 1 11 11 HIS CB C 11 27.033 27.033 32.070 -5.037 18732 9459 1 30 . 1 1 12 12 MET N N 12 122.280 122.280 124.550 -2.270 18732 9460 1 30 . 1 1 12 12 MET HA H 12 4.543 4.543 4.909 -0.366 18732 9461 1 30 . 1 1 12 12 MET CA C 12 53.058 53.058 54.135 -1.077 18732 9462 1 30 . 1 1 12 12 MET CB C 12 29.647 29.647 35.688 -6.041 18732 9463 1 30 . 1 1 13 13 SER N N 13 118.363 118.363 116.052 2.311 18732 9464 1 30 . 1 1 13 13 SER HA H 13 4.515 4.515 4.496 0.019 18732 9465 1 30 . 1 1 13 13 SER CA C 13 55.083 55.083 58.116 -3.033 18732 9466 1 30 . 1 1 13 13 SER CB C 13 62.243 62.243 64.349 -2.106 18732 9467 1 30 . 1 1 14 14 LYS N N 14 123.039 123.039 124.624 -1.585 18732 9468 1 30 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.831 0.095 18732 9469 1 30 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.706 -2.826 18732 9470 1 30 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.957 -2.462 18732 9471 1 30 . 1 1 15 15 TRP N N 15 118.585 118.585 116.134 2.451 18732 9472 1 30 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.900 -0.521 18732 9473 1 30 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.207 -0.638 18732 9474 1 30 . 1 1 15 15 TRP CB C 15 27.426 27.426 29.622 -2.196 18732 9475 1 30 . 1 1 16 16 GLU N N 16 119.418 119.418 121.688 -2.270 18732 9476 1 30 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.091 -0.115 18732 9477 1 30 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.169 -3.630 18732 9478 1 30 . 1 1 16 16 GLU CB C 16 27.787 27.787 29.241 -1.454 18732 9479 1 30 . 1 1 17 17 GLU N N 17 117.377 117.377 117.744 -0.367 18732 9480 1 30 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.028 -0.118 18732 9481 1 30 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.291 -2.393 18732 9482 1 30 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.642 -2.789 18732 9483 1 30 . 1 1 18 18 ILE N N 18 119.807 119.807 120.142 -0.335 18732 9484 1 30 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.744 -0.076 18732 9485 1 30 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.113 -2.368 18732 9486 1 30 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.732 -2.069 18732 9487 1 30 . 1 1 19 19 ALA N N 19 121.744 121.744 121.375 0.369 18732 9488 1 30 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.063 -0.108 18732 9489 1 30 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.476 -2.033 18732 9490 1 30 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.441 -3.167 18732 9491 1 30 . 1 1 20 20 VAL N N 20 115.918 115.918 118.945 -3.027 18732 9492 1 30 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.648 -0.249 18732 9493 1 30 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.150 -1.821 18732 9494 1 30 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.433 -2.029 18732 9495 1 30 . 1 1 21 21 LYS N N 21 119.785 119.785 118.883 0.902 18732 9496 1 30 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.972 -0.051 18732 9497 1 30 . 1 1 21 21 LYS CA C 21 57.442 57.442 59.732 -2.290 18732 9498 1 30 . 1 1 21 21 LYS CB C 21 33.512 33.512 31.848 1.664 18732 9499 1 30 . 1 1 22 22 GLU N N 22 118.955 118.955 119.570 -0.615 18732 9500 1 30 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.125 -0.056 18732 9501 1 30 . 1 1 22 22 GLU CA C 22 56.261 56.261 58.833 -2.572 18732 9502 1 30 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.035 -2.939 18732 9503 1 30 . 1 1 23 23 ALA N N 23 122.253 122.253 119.344 2.909 18732 9504 1 30 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.362 -0.261 18732 9505 1 30 . 1 1 23 23 ALA CA C 23 53.226 53.226 53.947 -0.721 18732 9506 1 30 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.755 -3.246 18732 9507 1 30 . 1 1 24 24 LYS N N 24 116.889 116.889 115.083 1.806 18732 9508 1 30 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.467 -0.448 18732 9509 1 30 . 1 1 24 24 LYS CA C 24 55.745 55.745 57.610 -1.865 18732 9510 1 30 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.649 -4.464 18732 9511 1 30 . 1 1 25 25 LYS N N 25 117.772 117.772 122.796 -5.024 18732 9512 1 30 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.067 -0.044 18732 9513 1 30 . 1 1 25 25 LYS CA C 25 56.340 56.340 59.357 -3.017 18732 9514 1 30 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.417 -2.215 18732 9515 1 30 . 1 1 26 26 ARG N N 26 117.176 117.176 118.105 -0.929 18732 9516 1 30 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.049 0.008 18732 9517 1 30 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.444 -3.453 18732 9518 1 30 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.656 -2.622 18732 9519 1 30 . 1 1 27 27 TYR N N 27 117.344 117.344 117.558 -0.214 18732 9520 1 30 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.876 0.206 18732 9521 1 30 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.514 -2.956 18732 9522 1 30 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.775 -2.788 18732 9523 1 30 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.378 0.371 18732 9524 1 30 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.578 -2.184 18732 9525 1 30 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.270 -2.415 18732 9526 1 30 . 1 1 29 29 LEU N N 29 117.758 117.758 118.680 -0.922 18732 9527 1 30 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.339 0.250 18732 9528 1 30 . 1 1 29 29 LEU CA C 29 51.574 51.574 55.733 -4.159 18732 9529 1 30 . 1 1 29 29 LEU CB C 29 38.890 38.890 40.995 -2.105 18732 9530 1 30 . 1 1 30 30 ALA N N 30 122.493 122.493 118.965 3.528 18732 9531 1 30 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.504 0.347 18732 9532 1 30 . 1 1 30 30 ALA CA C 30 48.855 48.855 51.791 -2.936 18732 9533 1 30 . 1 1 30 30 ALA CB C 30 19.668 19.668 20.256 -0.588 18732 9534 1 30 . 1 1 31 31 GLN N N 31 118.936 118.936 118.106 0.830 18732 9535 1 30 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.699 -0.060 18732 9536 1 30 . 1 1 31 31 GLN CA C 31 51.271 51.271 53.558 -2.287 18732 9537 1 30 . 1 1 31 31 GLN CB C 31 28.843 28.843 31.878 -3.035 18732 9538 1 30 . 1 1 32 32 VAL N N 32 123.815 123.815 122.762 1.053 18732 9539 1 30 . 1 1 32 32 VAL HA H 32 4.665 4.665 3.916 0.749 18732 9540 1 30 . 1 1 32 32 VAL CA C 32 60.265 60.265 62.576 -2.311 18732 9541 1 30 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.835 -3.957 18732 9542 1 30 . 1 1 33 33 LEU N N 33 128.709 128.709 123.261 5.448 18732 9543 1 30 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.807 -0.565 18732 9544 1 30 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.661 -1.278 18732 9545 1 30 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.028 -0.905 18732 9546 1 30 . 1 1 34 34 PHE N N 34 114.779 114.779 119.708 -4.929 18732 9547 1 30 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.588 -0.682 18732 9548 1 30 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.653 -3.738 18732 9549 1 30 . 1 1 34 34 PHE CB C 34 40.653 40.653 42.969 -2.316 18732 9550 1 30 . 1 1 35 35 LYS N N 35 120.077 120.077 121.752 -1.675 18732 9551 1 30 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.690 0.548 18732 9552 1 30 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.650 -3.353 18732 9553 1 30 . 1 1 35 35 LYS CB C 35 32.998 32.998 33.969 -0.971 18732 9554 1 30 . 1 1 36 36 GLN N N 36 119.491 119.491 122.986 -3.495 18732 9555 1 30 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.837 0.399 18732 9556 1 30 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.701 -2.504 18732 9557 1 30 . 1 1 36 36 GLN CB C 36 30.609 30.609 33.327 -2.718 18732 9558 1 30 . 1 1 37 37 LYS N N 37 128.471 128.471 121.621 6.850 18732 9559 1 30 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.619 0.176 18732 9560 1 30 . 1 1 37 37 LYS CA C 37 54.661 54.661 55.544 -0.883 18732 9561 1 30 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.918 -2.645 18732 9562 1 30 . 1 1 38 38 VAL N N 38 125.112 125.112 117.286 7.826 18732 9563 1 30 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.576 -0.239 18732 9564 1 30 . 1 1 38 38 VAL CA C 38 60.252 60.252 60.904 -0.652 18732 9565 1 30 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.885 -3.165 18732 9566 1 30 . 1 1 39 39 TRP N N 39 123.085 123.085 124.361 -1.276 18732 9567 1 30 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.718 0.131 18732 9568 1 30 . 1 1 39 39 TRP CA C 39 54.206 54.206 56.663 -2.457 18732 9569 1 30 . 1 1 39 39 TRP CB C 39 30.461 30.461 29.379 1.082 18732 9570 1 30 . 1 1 40 40 ASP N N 40 123.000 123.000 129.951 -6.951 18732 9571 1 30 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.821 0.307 18732 9572 1 30 . 1 1 40 40 ASP CA C 40 51.105 51.105 54.854 -3.749 18732 9573 1 30 . 1 1 40 40 ASP CB C 40 41.077 41.077 41.680 -0.603 18732 9574 1 30 . 1 1 41 41 ARG N N 41 123.259 123.259 122.843 0.416 18732 9575 1 30 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.355 0.193 18732 9576 1 30 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.263 -1.640 18732 9577 1 30 . 1 1 41 41 ARG CB C 41 31.417 31.417 33.457 -2.040 18732 9578 1 30 . 1 1 42 42 LYS N N 42 124.798 124.798 121.318 3.480 18732 9579 1 30 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.352 0.336 18732 9580 1 30 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.874 -1.101 18732 9581 1 30 . 1 1 42 42 LYS CB C 42 31.787 31.787 35.146 -3.359 18732 9582 1 30 . 1 1 43 43 ARG N N 43 124.461 124.461 123.190 1.271 18732 9583 1 30 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.738 -0.089 18732 9584 1 30 . 1 1 43 43 ARG CA C 43 52.179 52.179 55.142 -2.962 18732 9585 1 30 . 1 1 43 43 ARG CB C 43 30.149 30.149 31.523 -1.374 18732 9586 1 30 . 1 1 44 44 LYS N N 44 121.297 121.297 120.347 0.950 18732 9587 1 30 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.087 -0.064 18732 9588 1 30 . 1 1 44 44 LYS CA C 44 56.636 56.636 59.107 -2.471 18732 9589 1 30 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.497 -2.385 18732 9590 1 30 . 1 1 45 45 ASP N N 45 115.145 115.145 111.448 3.697 18732 9591 1 30 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.864 -0.114 18732 9592 1 30 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.693 -2.593 18732 9593 1 30 . 1 1 45 45 ASP CB C 45 38.693 38.693 42.044 -3.351 18732 9594 1 30 . 1 1 46 46 GLU N N 46 118.274 118.274 117.595 0.679 18732 9595 1 30 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.791 -0.324 18732 9596 1 30 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.030 -1.308 18732 9597 1 30 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.342 -3.272 18732 9598 1 30 . 1 1 47 47 ALA N N 47 127.506 127.506 120.322 7.184 18732 9599 1 30 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.374 0.320 18732 9600 1 30 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.920 -2.812 18732 9601 1 30 . 1 1 47 47 ALA CB C 47 18.842 18.842 21.703 -2.861 18732 9602 1 30 . 1 1 48 48 VAL N N 48 118.088 118.088 114.276 3.812 18732 9603 1 30 . 1 1 48 48 VAL HA H 48 5.345 5.345 5.169 0.176 18732 9604 1 30 . 1 1 48 48 VAL CA C 48 57.625 57.625 60.877 -3.252 18732 9605 1 30 . 1 1 48 48 VAL CB C 48 33.496 33.496 35.121 -1.625 18732 9606 1 30 . 1 1 49 49 LYS N N 49 124.725 124.725 125.988 -1.263 18732 9607 1 30 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.628 0.729 18732 9608 1 30 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.173 -3.134 18732 9609 1 30 . 1 1 50 50 GLN N N 50 121.028 121.028 121.022 0.006 18732 9610 1 30 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.616 0.370 18732 9611 1 30 . 1 1 50 50 GLN CA C 50 52.113 52.113 56.312 -4.199 18732 9612 1 30 . 1 1 50 50 GLN CB C 50 23.684 23.684 29.944 -6.260 18732 9613 1 30 . 1 1 51 51 TYR N N 51 124.549 124.549 116.340 8.209 18732 9614 1 30 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.778 0.440 18732 9615 1 30 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.193 -2.643 18732 9616 1 30 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.203 -1.923 18732 9617 1 30 . 1 1 52 52 HIS N N 52 121.301 121.301 122.571 -1.270 18732 9618 1 30 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.263 -0.044 18732 9619 1 30 . 1 1 52 52 HIS CA C 52 51.708 51.708 53.512 -1.804 18732 9620 1 30 . 1 1 52 52 HIS CB C 52 28.907 28.907 30.948 -2.041 18732 9621 1 30 . 1 1 53 53 LEU N N 53 127.743 127.743 127.276 0.467 18732 9622 1 30 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.795 0.413 18732 9623 1 30 . 1 1 53 53 LEU CA C 53 50.887 50.887 52.831 -1.944 18732 9624 1 30 . 1 1 53 53 LEU CB C 53 42.084 42.084 44.739 -2.655 18732 9625 1 30 . 1 1 54 54 THR N N 54 117.996 117.996 117.054 0.942 18732 9626 1 30 . 1 1 54 54 THR HA H 54 4.600 4.600 4.554 0.046 18732 9627 1 30 . 1 1 54 54 THR CA C 54 59.774 59.774 61.649 -1.875 18732 9628 1 30 . 1 1 54 54 THR CB C 54 67.153 67.153 69.273 -2.120 18732 9629 1 30 . 1 1 55 55 LEU N N 55 129.329 129.329 127.479 1.850 18732 9630 1 30 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.778 0.296 18732 9631 1 30 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.752 -2.983 18732 9632 1 30 . 1 1 55 55 LEU CB C 55 42.090 42.090 43.547 -1.457 18732 9633 1 30 . 1 1 56 56 ARG N N 56 117.231 117.231 121.776 -4.545 18732 9634 1 30 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.972 0.385 18732 9635 1 30 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.399 -2.524 18732 9636 1 30 . 1 1 56 56 ARG CB C 56 31.945 31.945 33.638 -1.692 18732 9637 1 30 . 1 1 57 57 GLU N N 57 128.411 128.411 127.813 0.598 18732 9638 1 30 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.733 -0.042 18732 9639 1 30 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.140 -2.276 18732 9640 1 30 . 1 1 57 57 GLU CB C 57 29.942 29.942 31.650 -1.708 18732 9641 1 30 . 1 1 58 58 GLY N N 58 118.265 118.265 117.046 1.219 18732 9642 1 30 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.196 -2.253 18732 9643 1 30 . 1 1 59 59 SER N N 59 122.061 122.061 117.177 4.884 18732 9644 1 30 . 1 1 59 59 SER HA H 59 4.567 4.567 4.670 -0.103 18732 9645 1 30 . 1 1 59 59 SER CA C 59 55.730 55.730 58.083 -2.353 18732 9646 1 30 . 1 1 59 59 SER CB C 59 61.262 61.262 63.980 -2.718 18732 9647 1 30 . 1 1 60 60 LYS N N 60 124.154 124.154 121.637 2.517 18732 9648 1 30 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.645 -0.025 18732 9649 1 30 . 1 1 60 60 LYS CA C 60 53.444 53.444 56.142 -2.698 18732 9650 1 30 . 1 1 60 60 LYS CB C 60 32.144 32.144 35.659 -3.515 18732 9651 1 30 . 1 1 61 61 GLU N N 61 125.701 125.701 123.724 1.977 18732 9652 1 30 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.461 0.053 18732 9653 1 30 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.467 -3.361 18732 9654 1 30 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.507 -2.967 18732 9655 1 30 . 1 1 62 62 PHE N N 62 121.360 121.360 120.469 0.891 18732 9656 1 30 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.856 0.190 18732 9657 1 30 . 1 1 62 62 PHE CA C 62 53.363 53.363 56.003 -2.640 18732 9658 1 30 . 1 1 62 62 PHE CB C 62 37.799 37.799 40.994 -3.195 18732 9659 1 30 . 1 1 63 63 GLY N N 63 107.546 107.546 106.096 1.450 18732 9660 1 30 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.489 -1.857 18732 9661 1 30 . 1 1 64 64 VAL N N 64 115.031 115.031 116.247 -1.216 18732 9662 1 30 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.760 0.260 18732 9663 1 30 . 1 1 64 64 VAL CA C 64 57.030 57.030 60.061 -3.031 18732 9664 1 30 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.907 -1.755 18732 9665 1 30 . 1 1 65 65 PHE N N 65 122.208 122.208 120.393 1.815 18732 9666 1 30 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.336 0.296 18732 9667 1 30 . 1 1 65 65 PHE CA C 65 54.000 54.000 57.045 -3.045 18732 9668 1 30 . 1 1 65 65 PHE CB C 65 39.295 39.295 42.815 -3.520 18732 9669 1 30 . 1 1 66 66 VAL N N 66 123.832 123.832 125.831 -1.999 18732 9670 1 30 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.505 0.652 18732 9671 1 30 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.591 -2.957 18732 9672 1 30 . 1 1 66 66 VAL CB C 66 32.312 32.312 33.097 -0.785 18732 9673 1 30 . 1 1 67 67 THR N N 67 125.293 125.293 124.351 0.942 18732 9674 1 30 . 1 1 67 67 THR CA C 67 57.150 57.150 63.872 -6.722 18732 9675 1 30 . 1 1 67 67 THR CB C 67 67.050 67.050 69.202 -2.152 18732 9676 1 30 . 1 1 68 68 ILE N N 68 128.624 128.624 129.675 -1.051 18732 9677 1 30 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.445 0.418 18732 9678 1 30 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.361 -2.128 18732 9679 1 30 . 1 1 68 68 ILE CB C 68 39.314 39.314 39.350 -0.036 18732 9680 1 30 . 1 1 69 69 SER N N 69 122.023 122.023 123.007 -0.984 18732 9681 1 30 . 1 1 69 69 SER HA H 69 5.804 5.804 5.071 0.733 18732 9682 1 30 . 1 1 69 69 SER CA C 69 53.530 53.530 59.325 -5.795 18732 9683 1 30 . 1 1 69 69 SER CB C 69 61.921 61.921 63.696 -1.775 18732 9684 1 30 . 1 1 70 70 PHE N N 70 123.800 123.800 123.622 0.178 18732 9685 1 30 . 1 1 70 70 PHE HA H 70 5.377 5.377 4.919 0.458 18732 9686 1 30 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.590 -2.447 18732 9687 1 30 . 1 1 70 70 PHE CB C 70 40.368 40.368 40.759 -0.391 18732 9688 1 30 . 1 1 71 71 ASP N N 71 121.547 121.547 119.057 2.490 18732 9689 1 30 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.122 -0.023 18732 9690 1 30 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.838 -2.616 18732 9691 1 30 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.630 -3.785 18732 9692 1 30 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.509 -0.144 18732 9693 1 30 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.151 -2.552 18732 9694 1 30 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.115 -2.449 18732 9695 1 30 . 1 1 73 73 TYR N N 73 118.085 118.085 120.336 -2.251 18732 9696 1 30 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.295 0.331 18732 9697 1 30 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.582 -3.252 18732 9698 1 30 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.569 -2.989 18732 9699 1 30 . 1 1 74 74 SER N N 74 113.942 113.942 110.341 3.601 18732 9700 1 30 . 1 1 74 74 SER HA H 74 4.506 4.506 4.662 -0.156 18732 9701 1 30 . 1 1 74 74 SER CA C 74 56.253 56.253 58.133 -1.880 18732 9702 1 30 . 1 1 74 74 SER CB C 74 62.670 62.670 64.152 -1.482 18732 9703 1 30 . 1 1 75 75 GLN N N 75 115.717 115.717 118.951 -3.234 18732 9704 1 30 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.631 -0.387 18732 9705 1 30 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.187 -1.615 18732 9706 1 30 . 1 1 75 75 GLN CB C 75 23.623 23.623 27.512 -3.889 18732 9707 1 30 . 1 1 76 76 LYS N N 76 119.205 119.205 120.315 -1.110 18732 9708 1 30 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.536 -0.092 18732 9709 1 30 . 1 1 76 76 LYS CA C 76 54.013 54.013 55.905 -1.892 18732 9710 1 30 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.784 -2.409 18732 9711 1 30 . 1 1 77 77 VAL N N 77 125.587 125.587 121.634 3.953 18732 9712 1 30 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.044 -0.040 18732 9713 1 30 . 1 1 77 77 VAL CA C 77 61.558 61.558 62.069 -0.511 18732 9714 1 30 . 1 1 77 77 VAL CB C 77 30.401 30.401 33.402 -3.001 18732 9715 1 30 . 1 1 78 78 ASN N N 78 126.604 126.604 127.339 -0.735 18732 9716 1 30 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.836 0.114 18732 9717 1 30 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.688 -3.111 18732 9718 1 30 . 1 1 78 78 ASN CB C 78 37.361 37.361 40.147 -2.786 18732 9719 1 30 . 1 1 79 79 LYS N N 79 118.463 118.463 118.643 -0.180 18732 9720 1 30 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.695 -0.077 18732 9721 1 30 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.463 -1.891 18732 9722 1 30 . 1 1 79 79 LYS CB C 79 33.529 33.529 37.101 -3.572 18732 9723 1 30 . 1 1 80 80 ILE N N 80 123.294 123.294 120.474 2.820 18732 9724 1 30 . 1 1 80 80 ILE HA H 80 5.071 5.071 4.977 0.094 18732 9725 1 30 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.687 -1.991 18732 9726 1 30 . 1 1 80 80 ILE CB C 80 38.260 38.260 39.679 -1.419 18732 9727 1 30 . 1 1 81 81 ALA N N 81 130.466 130.466 129.337 1.129 18732 9728 1 30 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.798 0.238 18732 9729 1 30 . 1 1 81 81 ALA CA C 81 48.222 48.222 50.703 -2.482 18732 9730 1 30 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.646 -2.572 18732 9731 1 30 . 1 1 82 82 ILE N N 82 122.249 122.249 120.101 2.148 18732 9732 1 30 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.669 0.573 18732 9733 1 30 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.482 -1.807 18732 9734 1 30 . 1 1 82 82 ILE CB C 82 37.792 37.792 40.277 -2.485 18732 9735 1 30 . 1 1 83 83 LEU N N 83 129.605 129.605 128.937 0.668 18732 9736 1 30 . 1 1 83 83 LEU HA H 83 4.954 4.954 5.046 -0.092 18732 9737 1 30 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.477 -2.145 18732 9738 1 30 . 1 1 83 83 LEU CB C 83 43.475 43.475 45.689 -2.214 18732 9739 1 30 . 1 1 84 84 GLU N N 84 125.594 125.594 119.009 6.585 18732 9740 1 30 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.700 0.012 18732 9741 1 30 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.095 -0.705 18732 9742 1 30 . 1 1 84 84 GLU CB C 84 28.122 28.122 32.996 -4.874 18732 9743 1 30 . 1 1 85 85 GLU N N 85 123.904 123.904 124.457 -0.553 18732 9744 1 30 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.512 -0.083 18732 9745 1 30 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.185 -2.289 18732 9746 1 30 . 1 1 85 85 GLU CB C 85 28.642 28.642 30.880 -2.238 18732 9747 1 30 . 1 1 86 86 TYR N N 86 123.323 123.323 120.722 2.601 18732 9748 1 30 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.784 -0.063 18732 9749 1 30 . 1 1 86 86 TYR CA C 86 53.909 53.909 56.954 -3.045 18732 9750 1 30 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.657 -3.061 18732 9751 1 31 . 1 1 2 2 GLU N N 2 120.598 120.598 121.890 -1.292 18732 9752 1 31 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.598 -1.633 18732 9753 1 31 . 1 1 2 2 GLU CB C 2 27.978 27.978 30.378 -2.400 18732 9754 1 31 . 1 1 3 3 GLU N N 3 120.984 120.984 119.322 1.662 18732 9755 1 31 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.146 0.052 18732 9756 1 31 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.911 2.123 18732 9757 1 31 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.262 0.006 18732 9758 1 31 . 1 1 4 4 THR N N 4 117.936 117.936 107.115 10.821 18732 9759 1 31 . 1 1 4 4 THR HA H 4 4.665 4.665 4.583 0.082 18732 9760 1 31 . 1 1 4 4 THR CA C 4 57.307 57.307 59.643 -2.336 18732 9761 1 31 . 1 1 4 4 THR CB C 4 67.215 67.215 70.325 -3.110 18732 9762 1 31 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.615 -2.875 18732 9763 1 31 . 1 1 5 5 PRO CB C 5 29.700 29.700 31.952 -2.252 18732 9764 1 31 . 1 1 6 6 LEU N N 6 122.097 122.097 122.520 -0.423 18732 9765 1 31 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.498 -0.117 18732 9766 1 31 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.153 -1.138 18732 9767 1 31 . 1 1 6 6 LEU CB C 6 40.054 40.054 40.864 -0.810 18732 9768 1 31 . 1 1 8 8 THR N N 8 116.987 116.987 115.032 1.955 18732 9769 1 31 . 1 1 8 8 THR HA H 8 4.348 4.348 4.424 -0.076 18732 9770 1 31 . 1 1 8 8 THR CA C 8 59.340 59.340 61.656 -2.316 18732 9771 1 31 . 1 1 8 8 THR CB C 8 67.234 67.234 68.902 -1.668 18732 9772 1 31 . 1 1 9 9 ALA N N 9 125.944 125.944 124.980 0.964 18732 9773 1 31 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.605 -0.231 18732 9774 1 31 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.022 -2.013 18732 9775 1 31 . 1 1 9 9 ALA CB C 9 16.807 16.807 19.476 -2.669 18732 9776 1 31 . 1 1 10 10 ARG N N 10 119.637 119.637 122.250 -2.613 18732 9777 1 31 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.449 -0.126 18732 9778 1 31 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.833 -2.301 18732 9779 1 31 . 1 1 10 10 ARG CB C 10 28.492 28.492 32.658 -4.166 18732 9780 1 31 . 1 1 11 11 HIS N N 11 119.667 119.667 119.149 0.518 18732 9781 1 31 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.308 0.409 18732 9782 1 31 . 1 1 11 11 HIS CA C 11 52.790 52.790 56.251 -3.461 18732 9783 1 31 . 1 1 11 11 HIS CB C 11 27.033 27.033 29.430 -2.397 18732 9784 1 31 . 1 1 12 12 MET N N 12 122.280 122.280 118.681 3.599 18732 9785 1 31 . 1 1 12 12 MET HA H 12 4.543 4.543 4.284 0.259 18732 9786 1 31 . 1 1 12 12 MET CA C 12 53.058 53.058 55.553 -2.495 18732 9787 1 31 . 1 1 12 12 MET CB C 12 29.647 29.647 33.295 -3.648 18732 9788 1 31 . 1 1 13 13 SER N N 13 118.363 118.363 116.225 2.138 18732 9789 1 31 . 1 1 13 13 SER HA H 13 4.515 4.515 4.206 0.309 18732 9790 1 31 . 1 1 13 13 SER CA C 13 55.083 55.083 59.139 -4.056 18732 9791 1 31 . 1 1 13 13 SER CB C 13 62.243 62.243 64.312 -2.069 18732 9792 1 31 . 1 1 14 14 LYS N N 14 123.039 123.039 123.413 -0.374 18732 9793 1 31 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.824 0.102 18732 9794 1 31 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.255 -2.375 18732 9795 1 31 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.708 -2.213 18732 9796 1 31 . 1 1 15 15 TRP N N 15 118.585 118.585 117.058 1.527 18732 9797 1 31 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.732 -0.353 18732 9798 1 31 . 1 1 15 15 TRP CA C 15 55.569 55.569 57.432 -1.863 18732 9799 1 31 . 1 1 15 15 TRP CB C 15 27.426 27.426 30.046 -2.620 18732 9800 1 31 . 1 1 16 16 GLU N N 16 119.418 119.418 120.820 -1.402 18732 9801 1 31 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.477 -0.501 18732 9802 1 31 . 1 1 16 16 GLU CA C 16 56.540 56.540 59.887 -3.347 18732 9803 1 31 . 1 1 16 16 GLU CB C 16 27.787 27.787 29.112 -1.325 18732 9804 1 31 . 1 1 17 17 GLU N N 17 117.377 117.377 117.989 -0.612 18732 9805 1 31 . 1 1 17 17 GLU HA H 17 3.910 3.910 3.976 -0.066 18732 9806 1 31 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.730 -2.832 18732 9807 1 31 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.383 -2.530 18732 9808 1 31 . 1 1 18 18 ILE N N 18 119.807 119.807 119.544 0.263 18732 9809 1 31 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.734 -0.066 18732 9810 1 31 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.331 -2.586 18732 9811 1 31 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.682 -2.019 18732 9812 1 31 . 1 1 19 19 ALA N N 19 121.744 121.744 122.798 -1.054 18732 9813 1 31 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.087 -0.132 18732 9814 1 31 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.551 -2.108 18732 9815 1 31 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.162 -2.888 18732 9816 1 31 . 1 1 20 20 VAL N N 20 115.918 115.918 118.210 -2.292 18732 9817 1 31 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.396 0.003 18732 9818 1 31 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.763 -2.434 18732 9819 1 31 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.489 -2.085 18732 9820 1 31 . 1 1 21 21 LYS N N 21 119.785 119.785 119.533 0.252 18732 9821 1 31 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.947 -0.026 18732 9822 1 31 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.037 -2.595 18732 9823 1 31 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.201 1.311 18732 9824 1 31 . 1 1 22 22 GLU N N 22 118.955 118.955 119.275 -0.320 18732 9825 1 31 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.132 -0.063 18732 9826 1 31 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.133 -2.873 18732 9827 1 31 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.312 -3.216 18732 9828 1 31 . 1 1 23 23 ALA N N 23 122.253 122.253 120.635 1.618 18732 9829 1 31 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.379 -0.278 18732 9830 1 31 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.606 -1.380 18732 9831 1 31 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.645 -3.136 18732 9832 1 31 . 1 1 24 24 LYS N N 24 116.889 116.889 117.985 -1.096 18732 9833 1 31 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.269 -0.250 18732 9834 1 31 . 1 1 24 24 LYS CA C 24 55.745 55.745 57.850 -2.105 18732 9835 1 31 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.032 -3.847 18732 9836 1 31 . 1 1 25 25 LYS N N 25 117.772 117.772 120.731 -2.959 18732 9837 1 31 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.299 -0.276 18732 9838 1 31 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.643 -2.303 18732 9839 1 31 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.226 -2.024 18732 9840 1 31 . 1 1 26 26 ARG N N 26 117.176 117.176 119.749 -2.573 18732 9841 1 31 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.148 -0.091 18732 9842 1 31 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.327 -3.336 18732 9843 1 31 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.571 -2.537 18732 9844 1 31 . 1 1 27 27 TYR N N 27 117.344 117.344 117.681 -0.337 18732 9845 1 31 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.895 0.187 18732 9846 1 31 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.604 -3.046 18732 9847 1 31 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.770 -2.783 18732 9848 1 31 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.463 0.286 18732 9849 1 31 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.266 -1.873 18732 9850 1 31 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.139 -2.284 18732 9851 1 31 . 1 1 29 29 LEU N N 29 117.758 117.758 116.789 0.969 18732 9852 1 31 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.668 -0.079 18732 9853 1 31 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.103 -2.529 18732 9854 1 31 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.837 -2.947 18732 9855 1 31 . 1 1 30 30 ALA N N 30 122.493 122.493 119.973 2.520 18732 9856 1 31 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.903 -0.052 18732 9857 1 31 . 1 1 30 30 ALA CA C 30 48.855 48.855 51.126 -2.271 18732 9858 1 31 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.264 -2.596 18732 9859 1 31 . 1 1 31 31 GLN N N 31 118.936 118.936 117.465 1.471 18732 9860 1 31 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.651 -0.012 18732 9861 1 31 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.764 -3.493 18732 9862 1 31 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.889 -4.046 18732 9863 1 31 . 1 1 32 32 VAL N N 32 123.815 123.815 123.726 0.089 18732 9864 1 31 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.428 0.237 18732 9865 1 31 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.122 -0.857 18732 9866 1 31 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.576 -3.698 18732 9867 1 31 . 1 1 33 33 LEU N N 33 128.709 128.709 123.537 5.172 18732 9868 1 31 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.803 -0.561 18732 9869 1 31 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.026 -0.643 18732 9870 1 31 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.440 -1.317 18732 9871 1 31 . 1 1 34 34 PHE N N 34 114.779 114.779 120.321 -5.542 18732 9872 1 31 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.635 -0.729 18732 9873 1 31 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.584 -3.670 18732 9874 1 31 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.567 -2.914 18732 9875 1 31 . 1 1 35 35 LYS N N 35 120.077 120.077 123.841 -3.764 18732 9876 1 31 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.525 0.713 18732 9877 1 31 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.797 -3.501 18732 9878 1 31 . 1 1 35 35 LYS CB C 35 32.998 32.998 33.359 -0.361 18732 9879 1 31 . 1 1 36 36 GLN N N 36 119.491 119.491 123.876 -4.385 18732 9880 1 31 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.718 0.518 18732 9881 1 31 . 1 1 36 36 GLN CA C 36 52.197 52.197 53.972 -1.776 18732 9882 1 31 . 1 1 36 36 GLN CB C 36 30.609 30.609 33.017 -2.408 18732 9883 1 31 . 1 1 37 37 LYS N N 37 128.471 128.471 122.961 5.510 18732 9884 1 31 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.163 0.632 18732 9885 1 31 . 1 1 37 37 LYS CA C 37 54.661 54.661 57.360 -2.699 18732 9886 1 31 . 1 1 37 37 LYS CB C 37 31.273 31.273 32.933 -1.660 18732 9887 1 31 . 1 1 38 38 VAL N N 38 125.112 125.112 119.349 5.763 18732 9888 1 31 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.486 -0.149 18732 9889 1 31 . 1 1 38 38 VAL CA C 38 60.252 60.252 60.299 -0.047 18732 9890 1 31 . 1 1 38 38 VAL CB C 38 30.720 30.720 34.240 -3.520 18732 9891 1 31 . 1 1 39 39 TRP N N 39 123.085 123.085 124.265 -1.180 18732 9892 1 31 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.510 0.339 18732 9893 1 31 . 1 1 39 39 TRP CA C 39 54.206 54.206 58.431 -4.224 18732 9894 1 31 . 1 1 39 39 TRP CB C 39 30.461 30.461 29.950 0.511 18732 9895 1 31 . 1 1 40 40 ASP N N 40 123.000 123.000 125.376 -2.376 18732 9896 1 31 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.703 0.425 18732 9897 1 31 . 1 1 40 40 ASP CA C 40 51.105 51.105 52.897 -1.792 18732 9898 1 31 . 1 1 40 40 ASP CB C 40 41.077 41.077 44.034 -2.957 18732 9899 1 31 . 1 1 41 41 ARG N N 41 123.259 123.259 117.971 5.288 18732 9900 1 31 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.487 0.061 18732 9901 1 31 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.800 -2.177 18732 9902 1 31 . 1 1 41 41 ARG CB C 41 31.417 31.417 32.341 -0.924 18732 9903 1 31 . 1 1 42 42 LYS N N 42 124.798 124.798 120.730 4.068 18732 9904 1 31 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.286 0.402 18732 9905 1 31 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.697 -0.924 18732 9906 1 31 . 1 1 42 42 LYS CB C 42 31.787 31.787 34.456 -2.669 18732 9907 1 31 . 1 1 43 43 ARG N N 43 124.461 124.461 119.532 4.929 18732 9908 1 31 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.623 0.026 18732 9909 1 31 . 1 1 43 43 ARG CA C 43 52.179 52.179 54.464 -2.285 18732 9910 1 31 . 1 1 43 43 ARG CB C 43 30.149 30.149 31.569 -1.419 18732 9911 1 31 . 1 1 44 44 LYS N N 44 121.297 121.297 120.780 0.517 18732 9912 1 31 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.056 -0.033 18732 9913 1 31 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.880 -2.244 18732 9914 1 31 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.571 -2.459 18732 9915 1 31 . 1 1 45 45 ASP N N 45 115.145 115.145 118.437 -3.292 18732 9916 1 31 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.856 -0.106 18732 9917 1 31 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.938 -2.838 18732 9918 1 31 . 1 1 45 45 ASP CB C 45 38.693 38.693 40.478 -1.785 18732 9919 1 31 . 1 1 46 46 GLU N N 46 118.274 118.274 119.795 -1.521 18732 9920 1 31 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.485 -0.018 18732 9921 1 31 . 1 1 46 46 GLU CA C 46 53.722 53.722 56.395 -2.673 18732 9922 1 31 . 1 1 46 46 GLU CB C 46 30.070 30.070 32.573 -2.503 18732 9923 1 31 . 1 1 47 47 ALA N N 47 127.506 127.506 120.549 6.957 18732 9924 1 31 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.693 0.001 18732 9925 1 31 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.686 -2.578 18732 9926 1 31 . 1 1 47 47 ALA CB C 47 18.842 18.842 21.572 -2.730 18732 9927 1 31 . 1 1 48 48 VAL N N 48 118.088 118.088 117.989 0.099 18732 9928 1 31 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.884 0.461 18732 9929 1 31 . 1 1 48 48 VAL CA C 48 57.625 57.625 61.223 -3.598 18732 9930 1 31 . 1 1 48 48 VAL CB C 48 33.496 33.496 35.730 -2.234 18732 9931 1 31 . 1 1 49 49 LYS N N 49 124.725 124.725 124.772 -0.047 18732 9932 1 31 . 1 1 49 49 LYS HA H 49 5.357 5.357 5.105 0.252 18732 9933 1 31 . 1 1 49 49 LYS CA C 49 52.039 52.039 54.874 -2.835 18732 9934 1 31 . 1 1 50 50 GLN N N 50 121.028 121.028 120.931 0.097 18732 9935 1 31 . 1 1 50 50 GLN HA H 50 4.986 4.986 5.132 -0.146 18732 9936 1 31 . 1 1 50 50 GLN CA C 50 52.113 52.113 54.027 -1.914 18732 9937 1 31 . 1 1 50 50 GLN CB C 50 23.684 23.684 34.131 -10.447 18732 9938 1 31 . 1 1 51 51 TYR N N 51 124.549 124.549 116.555 7.994 18732 9939 1 31 . 1 1 51 51 TYR HA H 51 5.218 5.218 5.214 0.004 18732 9940 1 31 . 1 1 51 51 TYR CA C 51 54.550 54.550 56.944 -2.394 18732 9941 1 31 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.500 -2.220 18732 9942 1 31 . 1 1 52 52 HIS N N 52 121.301 121.301 121.436 -0.135 18732 9943 1 31 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.048 0.171 18732 9944 1 31 . 1 1 52 52 HIS CA C 52 51.708 51.708 53.611 -1.903 18732 9945 1 31 . 1 1 52 52 HIS CB C 52 28.907 28.907 31.077 -2.170 18732 9946 1 31 . 1 1 53 53 LEU N N 53 127.743 127.743 127.185 0.558 18732 9947 1 31 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.794 0.414 18732 9948 1 31 . 1 1 53 53 LEU CA C 53 50.887 50.887 53.964 -3.077 18732 9949 1 31 . 1 1 53 53 LEU CB C 53 42.084 42.084 45.590 -3.506 18732 9950 1 31 . 1 1 54 54 THR N N 54 117.996 117.996 114.377 3.619 18732 9951 1 31 . 1 1 54 54 THR HA H 54 4.600 4.600 4.545 0.055 18732 9952 1 31 . 1 1 54 54 THR CA C 54 59.774 59.774 60.880 -1.106 18732 9953 1 31 . 1 1 54 54 THR CB C 54 67.153 67.153 70.407 -3.254 18732 9954 1 31 . 1 1 55 55 LEU N N 55 129.329 129.329 123.519 5.810 18732 9955 1 31 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.939 0.135 18732 9956 1 31 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.155 -2.386 18732 9957 1 31 . 1 1 55 55 LEU CB C 55 42.090 42.090 45.150 -3.060 18732 9958 1 31 . 1 1 56 56 ARG N N 56 117.231 117.231 120.342 -3.111 18732 9959 1 31 . 1 1 56 56 ARG HA H 56 5.357 5.357 5.020 0.337 18732 9960 1 31 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.351 -2.476 18732 9961 1 31 . 1 1 56 56 ARG CB C 56 31.945 31.945 33.558 -1.613 18732 9962 1 31 . 1 1 57 57 GLU N N 57 128.411 128.411 128.393 0.018 18732 9963 1 31 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.763 -0.072 18732 9964 1 31 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.098 -2.234 18732 9965 1 31 . 1 1 57 57 GLU CB C 57 29.942 29.942 31.763 -1.821 18732 9966 1 31 . 1 1 58 58 GLY N N 58 118.265 118.265 117.203 1.062 18732 9967 1 31 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.398 -2.455 18732 9968 1 31 . 1 1 59 59 SER N N 59 122.061 122.061 119.381 2.680 18732 9969 1 31 . 1 1 59 59 SER HA H 59 4.567 4.567 4.680 -0.113 18732 9970 1 31 . 1 1 59 59 SER CA C 59 55.730 55.730 57.874 -2.144 18732 9971 1 31 . 1 1 59 59 SER CB C 59 61.262 61.262 63.700 -2.438 18732 9972 1 31 . 1 1 60 60 LYS N N 60 124.154 124.154 121.040 3.114 18732 9973 1 31 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.703 -0.083 18732 9974 1 31 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.513 -2.069 18732 9975 1 31 . 1 1 60 60 LYS CB C 60 32.144 32.144 35.744 -3.600 18732 9976 1 31 . 1 1 61 61 GLU N N 61 125.701 125.701 122.537 3.164 18732 9977 1 31 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.560 -0.046 18732 9978 1 31 . 1 1 61 61 GLU CA C 61 52.106 52.106 54.876 -2.770 18732 9979 1 31 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.989 -3.449 18732 9980 1 31 . 1 1 62 62 PHE N N 62 121.360 121.360 117.315 4.045 18732 9981 1 31 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.863 0.183 18732 9982 1 31 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.977 -2.614 18732 9983 1 31 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.510 -3.711 18732 9984 1 31 . 1 1 63 63 GLY N N 63 107.546 107.546 109.702 -2.156 18732 9985 1 31 . 1 1 63 63 GLY CA C 63 41.632 41.632 44.201 -2.569 18732 9986 1 31 . 1 1 64 64 VAL N N 64 115.031 115.031 121.116 -6.085 18732 9987 1 31 . 1 1 64 64 VAL HA H 64 5.020 5.020 5.138 -0.118 18732 9988 1 31 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.274 -2.244 18732 9989 1 31 . 1 1 64 64 VAL CB C 64 34.152 34.152 34.060 0.092 18732 9990 1 31 . 1 1 65 65 PHE N N 65 122.208 122.208 118.939 3.269 18732 9991 1 31 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.669 -0.037 18732 9992 1 31 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.436 -2.436 18732 9993 1 31 . 1 1 65 65 PHE CB C 65 39.295 39.295 43.858 -4.563 18732 9994 1 31 . 1 1 66 66 VAL N N 66 123.832 123.832 121.838 1.994 18732 9995 1 31 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.615 0.542 18732 9996 1 31 . 1 1 66 66 VAL CA C 66 58.634 58.634 60.746 -2.112 18732 9997 1 31 . 1 1 66 66 VAL CB C 66 32.312 32.312 34.103 -1.791 18732 9998 1 31 . 1 1 67 67 THR N N 67 125.293 125.293 125.862 -0.569 18732 9999 1 31 . 1 1 67 67 THR CA C 67 57.150 57.150 63.704 -6.554 18732 10000 1 31 . 1 1 67 67 THR CB C 67 67.050 67.050 68.876 -1.826 18732 10001 1 31 . 1 1 68 68 ILE N N 68 128.624 128.624 129.580 -0.956 18732 10002 1 31 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.584 0.279 18732 10003 1 31 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.489 -2.256 18732 10004 1 31 . 1 1 68 68 ILE CB C 68 39.314 39.314 38.944 0.370 18732 10005 1 31 . 1 1 69 69 SER N N 69 122.023 122.023 122.763 -0.740 18732 10006 1 31 . 1 1 69 69 SER HA H 69 5.804 5.804 5.075 0.729 18732 10007 1 31 . 1 1 69 69 SER CA C 69 53.530 53.530 59.000 -5.470 18732 10008 1 31 . 1 1 69 69 SER CB C 69 61.921 61.921 64.065 -2.144 18732 10009 1 31 . 1 1 70 70 PHE N N 70 123.800 123.800 120.554 3.246 18732 10010 1 31 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.559 -0.182 18732 10011 1 31 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.543 -2.400 18732 10012 1 31 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.220 -0.852 18732 10013 1 31 . 1 1 71 71 ASP N N 71 121.547 121.547 118.747 2.800 18732 10014 1 31 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.050 0.049 18732 10015 1 31 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.449 -2.227 18732 10016 1 31 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.805 -3.960 18732 10017 1 31 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.557 -0.192 18732 10018 1 31 . 1 1 72 72 PRO CA C 72 61.599 61.599 63.718 -2.119 18732 10019 1 31 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.181 -2.515 18732 10020 1 31 . 1 1 73 73 TYR N N 73 118.085 118.085 120.678 -2.593 18732 10021 1 31 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.315 0.311 18732 10022 1 31 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.776 -3.446 18732 10023 1 31 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.653 -3.073 18732 10024 1 31 . 1 1 74 74 SER N N 74 113.942 113.942 110.139 3.803 18732 10025 1 31 . 1 1 74 74 SER HA H 74 4.506 4.506 4.650 -0.144 18732 10026 1 31 . 1 1 74 74 SER CA C 74 56.253 56.253 58.604 -2.351 18732 10027 1 31 . 1 1 74 74 SER CB C 74 62.670 62.670 64.141 -1.471 18732 10028 1 31 . 1 1 75 75 GLN N N 75 115.717 115.717 118.367 -2.650 18732 10029 1 31 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.537 -0.293 18732 10030 1 31 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.045 -1.473 18732 10031 1 31 . 1 1 75 75 GLN CB C 75 23.623 23.623 27.398 -3.775 18732 10032 1 31 . 1 1 76 76 LYS N N 76 119.205 119.205 119.820 -0.615 18732 10033 1 31 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.204 0.240 18732 10034 1 31 . 1 1 76 76 LYS CA C 76 54.013 54.013 56.425 -2.412 18732 10035 1 31 . 1 1 76 76 LYS CB C 76 31.375 31.375 32.590 -1.215 18732 10036 1 31 . 1 1 77 77 VAL N N 77 125.587 125.587 126.235 -0.648 18732 10037 1 31 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.025 -0.021 18732 10038 1 31 . 1 1 77 77 VAL CA C 77 61.558 61.558 63.715 -2.156 18732 10039 1 31 . 1 1 77 77 VAL CB C 77 30.401 30.401 31.388 -0.987 18732 10040 1 31 . 1 1 78 78 ASN N N 78 126.604 126.604 129.019 -2.415 18732 10041 1 31 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.789 0.161 18732 10042 1 31 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.837 -3.260 18732 10043 1 31 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.659 -2.298 18732 10044 1 31 . 1 1 79 79 LYS N N 79 118.463 118.463 118.100 0.363 18732 10045 1 31 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.764 -0.146 18732 10046 1 31 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.797 -2.225 18732 10047 1 31 . 1 1 79 79 LYS CB C 79 33.529 33.529 35.933 -2.404 18732 10048 1 31 . 1 1 80 80 ILE N N 80 123.294 123.294 120.261 3.033 18732 10049 1 31 . 1 1 80 80 ILE HA H 80 5.071 5.071 4.958 0.113 18732 10050 1 31 . 1 1 80 80 ILE CA C 80 57.696 57.696 60.388 -2.692 18732 10051 1 31 . 1 1 80 80 ILE CB C 80 38.260 38.260 41.283 -3.023 18732 10052 1 31 . 1 1 81 81 ALA N N 81 130.466 130.466 130.791 -0.325 18732 10053 1 31 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.770 0.266 18732 10054 1 31 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.375 -3.153 18732 10055 1 31 . 1 1 81 81 ALA CB C 81 20.074 20.074 21.473 -1.399 18732 10056 1 31 . 1 1 82 82 ILE N N 82 122.249 122.249 125.838 -3.589 18732 10057 1 31 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.127 1.115 18732 10058 1 31 . 1 1 82 82 ILE CA C 82 57.675 57.675 62.079 -4.404 18732 10059 1 31 . 1 1 82 82 ILE CB C 82 37.792 37.792 36.517 1.275 18732 10060 1 31 . 1 1 83 83 LEU N N 83 129.605 129.605 129.041 0.564 18732 10061 1 31 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.885 0.069 18732 10062 1 31 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.621 -2.289 18732 10063 1 31 . 1 1 83 83 LEU CB C 83 43.475 43.475 45.837 -2.362 18732 10064 1 31 . 1 1 84 84 GLU N N 84 125.594 125.594 121.214 4.380 18732 10065 1 31 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.813 -0.101 18732 10066 1 31 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.509 -1.119 18732 10067 1 31 . 1 1 84 84 GLU CB C 84 28.122 28.122 32.644 -4.522 18732 10068 1 31 . 1 1 85 85 GLU N N 85 123.904 123.904 124.013 -0.109 18732 10069 1 31 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.392 0.037 18732 10070 1 31 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.266 -2.370 18732 10071 1 31 . 1 1 85 85 GLU CB C 85 28.642 28.642 30.503 -1.861 18732 10072 1 31 . 1 1 86 86 TYR N N 86 123.323 123.323 119.668 3.655 18732 10073 1 31 . 1 1 86 86 TYR HA H 86 4.721 4.721 5.212 -0.491 18732 10074 1 31 . 1 1 86 86 TYR CA C 86 53.909 53.909 57.003 -3.094 18732 10075 1 31 . 1 1 86 86 TYR CB C 86 36.596 36.596 40.104 -3.508 18732 10076 1 32 . 1 1 2 2 GLU N N 2 120.598 120.598 118.742 1.856 18732 10077 1 32 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.358 -1.393 18732 10078 1 32 . 1 1 2 2 GLU CB C 2 27.978 27.978 31.697 -3.719 18732 10079 1 32 . 1 1 3 3 GLU N N 3 120.984 120.984 119.261 1.723 18732 10080 1 32 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.183 0.015 18732 10081 1 32 . 1 1 3 3 GLU CA C 3 60.035 60.035 56.580 3.455 18732 10082 1 32 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.322 -0.054 18732 10083 1 32 . 1 1 4 4 THR N N 4 117.936 117.936 108.738 9.198 18732 10084 1 32 . 1 1 4 4 THR HA H 4 4.665 4.665 4.349 0.316 18732 10085 1 32 . 1 1 4 4 THR CA C 4 57.307 57.307 58.735 -1.428 18732 10086 1 32 . 1 1 4 4 THR CB C 4 67.215 67.215 70.404 -3.189 18732 10087 1 32 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.826 -3.086 18732 10088 1 32 . 1 1 5 5 PRO CB C 5 29.700 29.700 32.203 -2.503 18732 10089 1 32 . 1 1 6 6 LEU N N 6 122.097 122.097 120.872 1.225 18732 10090 1 32 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.416 -0.035 18732 10091 1 32 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.478 -1.463 18732 10092 1 32 . 1 1 6 6 LEU CB C 6 40.054 40.054 40.106 -0.052 18732 10093 1 32 . 1 1 8 8 THR N N 8 116.987 116.987 115.096 1.891 18732 10094 1 32 . 1 1 8 8 THR HA H 8 4.348 4.348 4.461 -0.113 18732 10095 1 32 . 1 1 8 8 THR CA C 8 59.340 59.340 60.872 -1.532 18732 10096 1 32 . 1 1 8 8 THR CB C 8 67.234 67.234 70.850 -3.616 18732 10097 1 32 . 1 1 9 9 ALA N N 9 125.944 125.944 125.642 0.302 18732 10098 1 32 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.394 -0.020 18732 10099 1 32 . 1 1 9 9 ALA CA C 9 50.009 50.009 51.892 -1.883 18732 10100 1 32 . 1 1 9 9 ALA CB C 9 16.807 16.807 17.909 -1.102 18732 10101 1 32 . 1 1 10 10 ARG N N 10 119.637 119.637 120.960 -1.323 18732 10102 1 32 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.540 -0.217 18732 10103 1 32 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.496 -1.964 18732 10104 1 32 . 1 1 10 10 ARG CB C 10 28.492 28.492 32.546 -4.054 18732 10105 1 32 . 1 1 11 11 HIS N N 11 119.667 119.667 119.116 0.551 18732 10106 1 32 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.353 0.364 18732 10107 1 32 . 1 1 11 11 HIS CA C 11 52.790 52.790 56.762 -3.972 18732 10108 1 32 . 1 1 11 11 HIS CB C 11 27.033 27.033 29.553 -2.520 18732 10109 1 32 . 1 1 12 12 MET N N 12 122.280 122.280 121.548 0.732 18732 10110 1 32 . 1 1 12 12 MET HA H 12 4.543 4.543 4.594 -0.051 18732 10111 1 32 . 1 1 12 12 MET CA C 12 53.058 53.058 54.099 -1.041 18732 10112 1 32 . 1 1 12 12 MET CB C 12 29.647 29.647 34.630 -4.983 18732 10113 1 32 . 1 1 13 13 SER N N 13 118.363 118.363 115.476 2.887 18732 10114 1 32 . 1 1 13 13 SER HA H 13 4.515 4.515 4.579 -0.064 18732 10115 1 32 . 1 1 13 13 SER CA C 13 55.083 55.083 58.114 -3.031 18732 10116 1 32 . 1 1 13 13 SER CB C 13 62.243 62.243 63.917 -1.675 18732 10117 1 32 . 1 1 14 14 LYS N N 14 123.039 123.039 121.467 1.572 18732 10118 1 32 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.970 -0.044 18732 10119 1 32 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.104 -2.224 18732 10120 1 32 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.980 -2.485 18732 10121 1 32 . 1 1 15 15 TRP N N 15 118.585 118.585 118.080 0.505 18732 10122 1 32 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.839 -0.460 18732 10123 1 32 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.851 -1.282 18732 10124 1 32 . 1 1 15 15 TRP CB C 15 27.426 27.426 30.288 -2.862 18732 10125 1 32 . 1 1 16 16 GLU N N 16 119.418 119.418 120.634 -1.216 18732 10126 1 32 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.524 -0.548 18732 10127 1 32 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.340 -3.800 18732 10128 1 32 . 1 1 16 16 GLU CB C 16 27.787 27.787 28.817 -1.030 18732 10129 1 32 . 1 1 17 17 GLU N N 17 117.377 117.377 118.848 -1.471 18732 10130 1 32 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.016 -0.106 18732 10131 1 32 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.619 -2.721 18732 10132 1 32 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.046 -2.193 18732 10133 1 32 . 1 1 18 18 ILE N N 18 119.807 119.807 119.381 0.426 18732 10134 1 32 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.770 -0.102 18732 10135 1 32 . 1 1 18 18 ILE CA C 18 62.745 62.745 64.924 -2.179 18732 10136 1 32 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.791 -2.127 18732 10137 1 32 . 1 1 19 19 ALA N N 19 121.744 121.744 123.119 -1.375 18732 10138 1 32 . 1 1 19 19 ALA HA H 19 3.955 3.955 3.900 0.055 18732 10139 1 32 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.180 -1.737 18732 10140 1 32 . 1 1 19 19 ALA CB C 19 15.274 15.274 17.890 -2.616 18732 10141 1 32 . 1 1 20 20 VAL N N 20 115.918 115.918 118.895 -2.977 18732 10142 1 32 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.488 -0.089 18732 10143 1 32 . 1 1 20 20 VAL CA C 20 64.329 64.329 67.150 -2.821 18732 10144 1 32 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.477 -2.072 18732 10145 1 32 . 1 1 21 21 LYS N N 21 119.785 119.785 118.758 1.027 18732 10146 1 32 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.931 -0.010 18732 10147 1 32 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.007 -2.565 18732 10148 1 32 . 1 1 21 21 LYS CB C 21 33.512 33.512 31.578 1.933 18732 10149 1 32 . 1 1 22 22 GLU N N 22 118.955 118.955 120.146 -1.191 18732 10150 1 32 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.053 0.016 18732 10151 1 32 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.398 -3.137 18732 10152 1 32 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.476 -3.380 18732 10153 1 32 . 1 1 23 23 ALA N N 23 122.253 122.253 118.757 3.496 18732 10154 1 32 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.297 -0.196 18732 10155 1 32 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.559 -1.333 18732 10156 1 32 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.666 -3.157 18732 10157 1 32 . 1 1 24 24 LYS N N 24 116.889 116.889 116.372 0.517 18732 10158 1 32 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.398 -0.379 18732 10159 1 32 . 1 1 24 24 LYS CA C 24 55.745 55.745 58.205 -2.460 18732 10160 1 32 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.509 -4.324 18732 10161 1 32 . 1 1 25 25 LYS N N 25 117.772 117.772 120.834 -3.062 18732 10162 1 32 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.218 -0.195 18732 10163 1 32 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.929 -2.589 18732 10164 1 32 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.289 -2.087 18732 10165 1 32 . 1 1 26 26 ARG N N 26 117.176 117.176 119.145 -1.969 18732 10166 1 32 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.102 -0.045 18732 10167 1 32 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.120 -3.129 18732 10168 1 32 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.460 -2.426 18732 10169 1 32 . 1 1 27 27 TYR N N 27 117.344 117.344 118.504 -1.160 18732 10170 1 32 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.947 0.135 18732 10171 1 32 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.306 -2.748 18732 10172 1 32 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.804 -2.817 18732 10173 1 32 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.361 0.388 18732 10174 1 32 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.764 -2.371 18732 10175 1 32 . 1 1 28 28 PRO CB C 28 29.855 29.855 31.862 -2.007 18732 10176 1 32 . 1 1 29 29 LEU N N 29 117.758 117.758 117.201 0.557 18732 10177 1 32 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.526 0.063 18732 10178 1 32 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.792 -3.218 18732 10179 1 32 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.350 -2.460 18732 10180 1 32 . 1 1 30 30 ALA N N 30 122.493 122.493 119.173 3.320 18732 10181 1 32 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.894 -0.043 18732 10182 1 32 . 1 1 30 30 ALA CA C 30 48.855 48.855 51.091 -2.236 18732 10183 1 32 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.414 -2.746 18732 10184 1 32 . 1 1 31 31 GLN N N 31 118.936 118.936 118.471 0.465 18732 10185 1 32 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.753 -0.114 18732 10186 1 32 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.568 -3.297 18732 10187 1 32 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.346 -3.503 18732 10188 1 32 . 1 1 32 32 VAL N N 32 123.815 123.815 124.514 -0.699 18732 10189 1 32 . 1 1 32 32 VAL HA H 32 4.665 4.665 3.853 0.812 18732 10190 1 32 . 1 1 32 32 VAL CA C 32 60.265 60.265 62.991 -2.726 18732 10191 1 32 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.431 -3.553 18732 10192 1 32 . 1 1 33 33 LEU N N 33 128.709 128.709 122.189 6.520 18732 10193 1 32 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.609 -0.367 18732 10194 1 32 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.834 -1.451 18732 10195 1 32 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.194 -1.071 18732 10196 1 32 . 1 1 34 34 PHE N N 34 114.779 114.779 118.340 -3.561 18732 10197 1 32 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.676 -0.770 18732 10198 1 32 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.472 -3.557 18732 10199 1 32 . 1 1 34 34 PHE CB C 34 40.653 40.653 42.710 -2.057 18732 10200 1 32 . 1 1 35 35 LYS N N 35 120.077 120.077 119.308 0.769 18732 10201 1 32 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.593 0.645 18732 10202 1 32 . 1 1 35 35 LYS CA C 35 52.297 52.297 56.451 -4.154 18732 10203 1 32 . 1 1 35 35 LYS CB C 35 32.998 32.998 33.233 -0.235 18732 10204 1 32 . 1 1 36 36 GLN N N 36 119.491 119.491 122.926 -3.435 18732 10205 1 32 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.797 0.439 18732 10206 1 32 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.665 -2.468 18732 10207 1 32 . 1 1 36 36 GLN CB C 36 30.609 30.609 33.633 -3.024 18732 10208 1 32 . 1 1 37 37 LYS N N 37 128.471 128.471 123.909 4.562 18732 10209 1 32 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.490 0.305 18732 10210 1 32 . 1 1 37 37 LYS CA C 37 54.661 54.661 56.203 -1.542 18732 10211 1 32 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.026 -1.753 18732 10212 1 32 . 1 1 38 38 VAL N N 38 125.112 125.112 122.843 2.269 18732 10213 1 32 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.297 0.040 18732 10214 1 32 . 1 1 38 38 VAL CA C 38 60.252 60.252 62.638 -2.386 18732 10215 1 32 . 1 1 38 38 VAL CB C 38 30.720 30.720 32.882 -2.162 18732 10216 1 32 . 1 1 39 39 TRP N N 39 123.085 123.085 121.205 1.880 18732 10217 1 32 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.849 -0.000 18732 10218 1 32 . 1 1 39 39 TRP CA C 39 54.206 54.206 56.756 -2.550 18732 10219 1 32 . 1 1 39 39 TRP CB C 39 30.461 30.461 32.288 -1.827 18732 10220 1 32 . 1 1 40 40 ASP N N 40 123.000 123.000 123.175 -0.175 18732 10221 1 32 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.712 0.416 18732 10222 1 32 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.995 -2.890 18732 10223 1 32 . 1 1 40 40 ASP CB C 40 41.077 41.077 42.068 -0.991 18732 10224 1 32 . 1 1 41 41 ARG N N 41 123.259 123.259 123.649 -0.390 18732 10225 1 32 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.562 -0.014 18732 10226 1 32 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.546 -1.923 18732 10227 1 32 . 1 1 41 41 ARG CB C 41 31.417 31.417 32.037 -0.620 18732 10228 1 32 . 1 1 42 42 LYS N N 42 124.798 124.798 118.961 5.837 18732 10229 1 32 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.313 0.375 18732 10230 1 32 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.549 -0.776 18732 10231 1 32 . 1 1 42 42 LYS CB C 42 31.787 31.787 34.991 -3.204 18732 10232 1 32 . 1 1 43 43 ARG N N 43 124.461 124.461 121.398 3.063 18732 10233 1 32 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.608 0.041 18732 10234 1 32 . 1 1 43 43 ARG CA C 43 52.179 52.179 55.286 -3.107 18732 10235 1 32 . 1 1 43 43 ARG CB C 43 30.149 30.149 31.271 -1.123 18732 10236 1 32 . 1 1 44 44 LYS N N 44 121.297 121.297 120.264 1.033 18732 10237 1 32 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.137 -0.114 18732 10238 1 32 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.718 -2.082 18732 10239 1 32 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.745 -2.633 18732 10240 1 32 . 1 1 45 45 ASP N N 45 115.145 115.145 116.283 -1.138 18732 10241 1 32 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.733 0.017 18732 10242 1 32 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.948 -2.848 18732 10243 1 32 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.803 -3.110 18732 10244 1 32 . 1 1 46 46 GLU N N 46 118.274 118.274 117.464 0.810 18732 10245 1 32 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.372 0.095 18732 10246 1 32 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.441 -1.719 18732 10247 1 32 . 1 1 46 46 GLU CB C 46 30.070 30.070 32.850 -2.780 18732 10248 1 32 . 1 1 47 47 ALA N N 47 127.506 127.506 119.817 7.689 18732 10249 1 32 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.677 0.017 18732 10250 1 32 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.764 -2.656 18732 10251 1 32 . 1 1 47 47 ALA CB C 47 18.842 18.842 21.568 -2.726 18732 10252 1 32 . 1 1 48 48 VAL N N 48 118.088 118.088 117.935 0.153 18732 10253 1 32 . 1 1 48 48 VAL HA H 48 5.345 5.345 5.025 0.320 18732 10254 1 32 . 1 1 48 48 VAL CA C 48 57.625 57.625 61.746 -4.122 18732 10255 1 32 . 1 1 48 48 VAL CB C 48 33.496 33.496 35.553 -2.057 18732 10256 1 32 . 1 1 49 49 LYS N N 49 124.725 124.725 128.596 -3.871 18732 10257 1 32 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.738 0.619 18732 10258 1 32 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.251 -3.212 18732 10259 1 32 . 1 1 50 50 GLN N N 50 121.028 121.028 120.910 0.118 18732 10260 1 32 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.544 0.442 18732 10261 1 32 . 1 1 50 50 GLN CA C 50 52.113 52.113 56.984 -4.871 18732 10262 1 32 . 1 1 50 50 GLN CB C 50 23.684 23.684 29.992 -6.308 18732 10263 1 32 . 1 1 51 51 TYR N N 51 124.549 124.549 117.149 7.400 18732 10264 1 32 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.869 0.349 18732 10265 1 32 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.184 -2.634 18732 10266 1 32 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.013 -1.732 18732 10267 1 32 . 1 1 52 52 HIS N N 52 121.301 121.301 120.555 0.746 18732 10268 1 32 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.602 -0.383 18732 10269 1 32 . 1 1 52 52 HIS CA C 52 51.708 51.708 54.032 -2.324 18732 10270 1 32 . 1 1 52 52 HIS CB C 52 28.907 28.907 32.029 -3.122 18732 10271 1 32 . 1 1 53 53 LEU N N 53 127.743 127.743 125.561 2.182 18732 10272 1 32 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.710 0.498 18732 10273 1 32 . 1 1 53 53 LEU CA C 53 50.887 50.887 54.193 -3.306 18732 10274 1 32 . 1 1 53 53 LEU CB C 53 42.084 42.084 46.554 -4.471 18732 10275 1 32 . 1 1 54 54 THR N N 54 117.996 117.996 116.022 1.974 18732 10276 1 32 . 1 1 54 54 THR HA H 54 4.600 4.600 4.681 -0.081 18732 10277 1 32 . 1 1 54 54 THR CA C 54 59.774 59.774 61.747 -1.973 18732 10278 1 32 . 1 1 54 54 THR CB C 54 67.153 67.153 69.490 -2.337 18732 10279 1 32 . 1 1 55 55 LEU N N 55 129.329 129.329 126.261 3.068 18732 10280 1 32 . 1 1 55 55 LEU HA H 55 5.074 5.074 5.072 0.002 18732 10281 1 32 . 1 1 55 55 LEU CA C 55 50.769 50.769 52.963 -2.194 18732 10282 1 32 . 1 1 55 55 LEU CB C 55 42.090 42.090 45.331 -3.241 18732 10283 1 32 . 1 1 56 56 ARG N N 56 117.231 117.231 118.633 -1.402 18732 10284 1 32 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.753 0.604 18732 10285 1 32 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.501 -2.626 18732 10286 1 32 . 1 1 56 56 ARG CB C 56 31.945 31.945 34.239 -2.294 18732 10287 1 32 . 1 1 57 57 GLU N N 57 128.411 128.411 125.705 2.706 18732 10288 1 32 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.825 -0.134 18732 10289 1 32 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.248 -2.384 18732 10290 1 32 . 1 1 57 57 GLU CB C 57 29.942 29.942 32.343 -2.401 18732 10291 1 32 . 1 1 58 58 GLY N N 58 118.265 118.265 117.544 0.721 18732 10292 1 32 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.332 -2.389 18732 10293 1 32 . 1 1 59 59 SER N N 59 122.061 122.061 118.607 3.454 18732 10294 1 32 . 1 1 59 59 SER HA H 59 4.567 4.567 4.723 -0.156 18732 10295 1 32 . 1 1 59 59 SER CA C 59 55.730 55.730 57.578 -1.848 18732 10296 1 32 . 1 1 59 59 SER CB C 59 61.262 61.262 64.144 -2.882 18732 10297 1 32 . 1 1 60 60 LYS N N 60 124.154 124.154 122.329 1.825 18732 10298 1 32 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.603 0.017 18732 10299 1 32 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.950 -2.506 18732 10300 1 32 . 1 1 60 60 LYS CB C 60 32.144 32.144 34.669 -2.525 18732 10301 1 32 . 1 1 61 61 GLU N N 61 125.701 125.701 122.352 3.349 18732 10302 1 32 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.152 0.362 18732 10303 1 32 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.130 -3.024 18732 10304 1 32 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.526 -2.986 18732 10305 1 32 . 1 1 62 62 PHE N N 62 121.360 121.360 120.594 0.766 18732 10306 1 32 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.875 0.171 18732 10307 1 32 . 1 1 62 62 PHE CA C 62 53.363 53.363 56.463 -3.100 18732 10308 1 32 . 1 1 62 62 PHE CB C 62 37.799 37.799 40.918 -3.119 18732 10309 1 32 . 1 1 63 63 GLY N N 63 107.546 107.546 106.384 1.162 18732 10310 1 32 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.449 -1.817 18732 10311 1 32 . 1 1 64 64 VAL N N 64 115.031 115.031 115.925 -0.894 18732 10312 1 32 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.538 0.482 18732 10313 1 32 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.231 -2.201 18732 10314 1 32 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.396 -1.244 18732 10315 1 32 . 1 1 65 65 PHE N N 65 122.208 122.208 120.980 1.228 18732 10316 1 32 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.270 0.362 18732 10317 1 32 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.043 -2.043 18732 10318 1 32 . 1 1 65 65 PHE CB C 65 39.295 39.295 39.915 -0.620 18732 10319 1 32 . 1 1 66 66 VAL N N 66 123.832 123.832 125.252 -1.420 18732 10320 1 32 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.023 1.134 18732 10321 1 32 . 1 1 66 66 VAL CA C 66 58.634 58.634 63.504 -4.870 18732 10322 1 32 . 1 1 66 66 VAL CB C 66 32.312 32.312 32.908 -0.596 18732 10323 1 32 . 1 1 67 67 THR N N 67 125.293 125.293 125.325 -0.032 18732 10324 1 32 . 1 1 67 67 THR CA C 67 57.150 57.150 61.758 -4.608 18732 10325 1 32 . 1 1 67 67 THR CB C 67 67.050 67.050 69.468 -2.418 18732 10326 1 32 . 1 1 68 68 ILE N N 68 128.624 128.624 129.061 -0.437 18732 10327 1 32 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.297 0.566 18732 10328 1 32 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.764 -2.531 18732 10329 1 32 . 1 1 68 68 ILE CB C 68 39.314 39.314 38.389 0.925 18732 10330 1 32 . 1 1 69 69 SER N N 69 122.023 122.023 123.683 -1.660 18732 10331 1 32 . 1 1 69 69 SER HA H 69 5.804 5.804 5.104 0.700 18732 10332 1 32 . 1 1 69 69 SER CA C 69 53.530 53.530 58.426 -4.896 18732 10333 1 32 . 1 1 69 69 SER CB C 69 61.921 61.921 63.977 -2.056 18732 10334 1 32 . 1 1 70 70 PHE N N 70 123.800 123.800 122.623 1.177 18732 10335 1 32 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.326 0.051 18732 10336 1 32 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.322 -2.179 18732 10337 1 32 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.501 -1.133 18732 10338 1 32 . 1 1 71 71 ASP N N 71 121.547 121.547 121.073 0.474 18732 10339 1 32 . 1 1 71 71 ASP HA H 71 5.099 5.099 4.990 0.109 18732 10340 1 32 . 1 1 71 71 ASP CA C 71 48.222 48.222 52.074 -3.852 18732 10341 1 32 . 1 1 71 71 ASP CB C 71 40.845 40.845 42.398 -1.553 18732 10342 1 32 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.449 -0.084 18732 10343 1 32 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.159 -2.560 18732 10344 1 32 . 1 1 72 72 PRO CB C 72 29.666 29.666 31.913 -2.247 18732 10345 1 32 . 1 1 73 73 TYR N N 73 118.085 118.085 119.411 -1.326 18732 10346 1 32 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.272 0.354 18732 10347 1 32 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.132 -2.802 18732 10348 1 32 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.471 -2.891 18732 10349 1 32 . 1 1 74 74 SER N N 74 113.942 113.942 111.297 2.645 18732 10350 1 32 . 1 1 74 74 SER HA H 74 4.506 4.506 4.570 -0.064 18732 10351 1 32 . 1 1 74 74 SER CA C 74 56.253 56.253 58.270 -2.017 18732 10352 1 32 . 1 1 74 74 SER CB C 74 62.670 62.670 63.299 -0.629 18732 10353 1 32 . 1 1 75 75 GLN N N 75 115.717 115.717 119.773 -4.056 18732 10354 1 32 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.575 -0.331 18732 10355 1 32 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.227 -1.655 18732 10356 1 32 . 1 1 75 75 GLN CB C 75 23.623 23.623 27.327 -3.704 18732 10357 1 32 . 1 1 76 76 LYS N N 76 119.205 119.205 119.697 -0.492 18732 10358 1 32 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.508 -0.064 18732 10359 1 32 . 1 1 76 76 LYS CA C 76 54.013 54.013 55.870 -1.857 18732 10360 1 32 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.223 -1.848 18732 10361 1 32 . 1 1 77 77 VAL N N 77 125.587 125.587 127.519 -1.932 18732 10362 1 32 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.017 -0.013 18732 10363 1 32 . 1 1 77 77 VAL CA C 77 61.558 61.558 62.603 -1.045 18732 10364 1 32 . 1 1 77 77 VAL CB C 77 30.401 30.401 32.495 -2.094 18732 10365 1 32 . 1 1 78 78 ASN N N 78 126.604 126.604 128.637 -2.033 18732 10366 1 32 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.715 0.235 18732 10367 1 32 . 1 1 78 78 ASN CA C 78 51.577 51.577 55.259 -3.682 18732 10368 1 32 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.124 -1.764 18732 10369 1 32 . 1 1 79 79 LYS N N 79 118.463 118.463 118.332 0.131 18732 10370 1 32 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.725 -0.107 18732 10371 1 32 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.584 -2.011 18732 10372 1 32 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.380 -2.851 18732 10373 1 32 . 1 1 80 80 ILE N N 80 123.294 123.294 120.397 2.897 18732 10374 1 32 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.183 -0.112 18732 10375 1 32 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.841 -2.145 18732 10376 1 32 . 1 1 80 80 ILE CB C 80 38.260 38.260 40.945 -2.685 18732 10377 1 32 . 1 1 81 81 ALA N N 81 130.466 130.466 127.872 2.594 18732 10378 1 32 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.814 0.222 18732 10379 1 32 . 1 1 81 81 ALA CA C 81 48.222 48.222 50.690 -2.468 18732 10380 1 32 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.663 -2.589 18732 10381 1 32 . 1 1 82 82 ILE N N 82 122.249 122.249 119.184 3.065 18732 10382 1 32 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.466 0.776 18732 10383 1 32 . 1 1 82 82 ILE CA C 82 57.675 57.675 60.093 -2.417 18732 10384 1 32 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.178 -3.386 18732 10385 1 32 . 1 1 83 83 LEU N N 83 129.605 129.605 127.914 1.691 18732 10386 1 32 . 1 1 83 83 LEU HA H 83 4.954 4.954 5.045 -0.091 18732 10387 1 32 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.512 -2.180 18732 10388 1 32 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.061 -2.586 18732 10389 1 32 . 1 1 84 84 GLU N N 84 125.594 125.594 123.141 2.453 18732 10390 1 32 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.711 0.001 18732 10391 1 32 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.101 -0.711 18732 10392 1 32 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.030 -4.908 18732 10393 1 32 . 1 1 85 85 GLU N N 85 123.904 123.904 124.569 -0.665 18732 10394 1 32 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.276 0.153 18732 10395 1 32 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.056 -2.160 18732 10396 1 32 . 1 1 85 85 GLU CB C 85 28.642 28.642 30.943 -2.301 18732 10397 1 32 . 1 1 86 86 TYR N N 86 123.323 123.323 118.556 4.767 18732 10398 1 32 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.962 -0.241 18732 10399 1 32 . 1 1 86 86 TYR CA C 86 53.909 53.909 57.036 -3.127 18732 10400 1 32 . 1 1 86 86 TYR CB C 86 36.596 36.596 40.035 -3.439 18732 10401 1 33 . 1 1 2 2 GLU N N 2 120.598 120.598 120.506 0.092 18732 10402 1 33 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.864 -1.899 18732 10403 1 33 . 1 1 2 2 GLU CB C 2 27.978 27.978 32.100 -4.122 18732 10404 1 33 . 1 1 3 3 GLU N N 3 120.984 120.984 120.008 0.976 18732 10405 1 33 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.395 -0.197 18732 10406 1 33 . 1 1 3 3 GLU CA C 3 60.035 60.035 56.367 3.668 18732 10407 1 33 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.846 -0.578 18732 10408 1 33 . 1 1 4 4 THR N N 4 117.936 117.936 109.444 8.492 18732 10409 1 33 . 1 1 4 4 THR HA H 4 4.665 4.665 4.380 0.285 18732 10410 1 33 . 1 1 4 4 THR CA C 4 57.307 57.307 58.728 -1.421 18732 10411 1 33 . 1 1 4 4 THR CB C 4 67.215 67.215 69.990 -2.775 18732 10412 1 33 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.759 -3.019 18732 10413 1 33 . 1 1 5 5 PRO CB C 5 29.700 29.700 31.810 -2.110 18732 10414 1 33 . 1 1 6 6 LEU N N 6 122.097 122.097 116.942 5.155 18732 10415 1 33 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.719 -0.338 18732 10416 1 33 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.189 -1.174 18732 10417 1 33 . 1 1 6 6 LEU CB C 6 40.054 40.054 42.406 -2.352 18732 10418 1 33 . 1 1 8 8 THR N N 8 116.987 116.987 119.286 -2.299 18732 10419 1 33 . 1 1 8 8 THR HA H 8 4.348 4.348 4.213 0.135 18732 10420 1 33 . 1 1 8 8 THR CA C 8 59.340 59.340 63.544 -4.204 18732 10421 1 33 . 1 1 8 8 THR CB C 8 67.234 67.234 67.463 -0.229 18732 10422 1 33 . 1 1 9 9 ALA N N 9 125.944 125.944 129.575 -3.631 18732 10423 1 33 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.440 -0.066 18732 10424 1 33 . 1 1 9 9 ALA CA C 9 50.009 50.009 51.992 -1.983 18732 10425 1 33 . 1 1 9 9 ALA CB C 9 16.807 16.807 21.462 -4.655 18732 10426 1 33 . 1 1 10 10 ARG N N 10 119.637 119.637 120.254 -0.617 18732 10427 1 33 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.344 -0.021 18732 10428 1 33 . 1 1 10 10 ARG CA C 10 53.532 53.532 56.157 -2.625 18732 10429 1 33 . 1 1 10 10 ARG CB C 10 28.492 28.492 30.169 -1.677 18732 10430 1 33 . 1 1 11 11 HIS N N 11 119.667 119.667 115.839 3.828 18732 10431 1 33 . 1 1 11 11 HIS HA H 11 4.717 4.717 5.016 -0.299 18732 10432 1 33 . 1 1 11 11 HIS CA C 11 52.790 52.790 54.842 -2.052 18732 10433 1 33 . 1 1 11 11 HIS CB C 11 27.033 27.033 31.603 -4.570 18732 10434 1 33 . 1 1 12 12 MET N N 12 122.280 122.280 119.807 2.473 18732 10435 1 33 . 1 1 12 12 MET HA H 12 4.543 4.543 4.764 -0.221 18732 10436 1 33 . 1 1 12 12 MET CA C 12 53.058 53.058 54.491 -1.433 18732 10437 1 33 . 1 1 12 12 MET CB C 12 29.647 29.647 35.592 -5.945 18732 10438 1 33 . 1 1 13 13 SER N N 13 118.363 118.363 116.564 1.799 18732 10439 1 33 . 1 1 13 13 SER HA H 13 4.515 4.515 4.382 0.133 18732 10440 1 33 . 1 1 13 13 SER CA C 13 55.083 55.083 58.467 -3.384 18732 10441 1 33 . 1 1 13 13 SER CB C 13 62.243 62.243 64.462 -2.219 18732 10442 1 33 . 1 1 14 14 LYS N N 14 123.039 123.039 122.805 0.234 18732 10443 1 33 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.837 0.089 18732 10444 1 33 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.277 -2.397 18732 10445 1 33 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.870 -2.375 18732 10446 1 33 . 1 1 15 15 TRP N N 15 118.585 118.585 116.492 2.093 18732 10447 1 33 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.775 -0.396 18732 10448 1 33 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.831 -1.262 18732 10449 1 33 . 1 1 15 15 TRP CB C 15 27.426 27.426 29.408 -1.982 18732 10450 1 33 . 1 1 16 16 GLU N N 16 119.418 119.418 120.315 -0.897 18732 10451 1 33 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.333 -0.357 18732 10452 1 33 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.189 -3.649 18732 10453 1 33 . 1 1 16 16 GLU CB C 16 27.787 27.787 28.911 -1.124 18732 10454 1 33 . 1 1 17 17 GLU N N 17 117.377 117.377 117.894 -0.517 18732 10455 1 33 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.015 -0.105 18732 10456 1 33 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.234 -2.336 18732 10457 1 33 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.233 -2.380 18732 10458 1 33 . 1 1 18 18 ILE N N 18 119.807 119.807 120.185 -0.378 18732 10459 1 33 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.751 -0.083 18732 10460 1 33 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.347 -2.603 18732 10461 1 33 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.826 -2.163 18732 10462 1 33 . 1 1 19 19 ALA N N 19 121.744 121.744 123.294 -1.550 18732 10463 1 33 . 1 1 19 19 ALA HA H 19 3.955 3.955 3.975 -0.020 18732 10464 1 33 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.350 -1.907 18732 10465 1 33 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.040 -2.766 18732 10466 1 33 . 1 1 20 20 VAL N N 20 115.918 115.918 118.405 -2.487 18732 10467 1 33 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.453 -0.054 18732 10468 1 33 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.885 -2.556 18732 10469 1 33 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.017 -1.613 18732 10470 1 33 . 1 1 21 21 LYS N N 21 119.785 119.785 119.220 0.565 18732 10471 1 33 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.923 -0.002 18732 10472 1 33 . 1 1 21 21 LYS CA C 21 57.442 57.442 60.066 -2.624 18732 10473 1 33 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.240 1.272 18732 10474 1 33 . 1 1 22 22 GLU N N 22 118.955 118.955 119.125 -0.170 18732 10475 1 33 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.116 -0.047 18732 10476 1 33 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.173 -2.912 18732 10477 1 33 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.467 -3.371 18732 10478 1 33 . 1 1 23 23 ALA N N 23 122.253 122.253 119.130 3.123 18732 10479 1 33 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.435 -0.334 18732 10480 1 33 . 1 1 23 23 ALA CA C 23 53.226 53.226 53.893 -0.667 18732 10481 1 33 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.648 -3.139 18732 10482 1 33 . 1 1 24 24 LYS N N 24 116.889 116.889 115.591 1.298 18732 10483 1 33 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.470 -0.451 18732 10484 1 33 . 1 1 24 24 LYS CA C 24 55.745 55.745 57.301 -1.556 18732 10485 1 33 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.539 -4.354 18732 10486 1 33 . 1 1 25 25 LYS N N 25 117.772 117.772 121.490 -3.718 18732 10487 1 33 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.179 -0.156 18732 10488 1 33 . 1 1 25 25 LYS CA C 25 56.340 56.340 59.033 -2.693 18732 10489 1 33 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.294 -2.092 18732 10490 1 33 . 1 1 26 26 ARG N N 26 117.176 117.176 119.101 -1.925 18732 10491 1 33 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.032 0.025 18732 10492 1 33 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.261 -3.271 18732 10493 1 33 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.440 -2.406 18732 10494 1 33 . 1 1 27 27 TYR N N 27 117.344 117.344 118.404 -1.060 18732 10495 1 33 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.961 0.121 18732 10496 1 33 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.139 -2.580 18732 10497 1 33 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.870 -2.883 18732 10498 1 33 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.441 0.308 18732 10499 1 33 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.895 -2.502 18732 10500 1 33 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.146 -2.291 18732 10501 1 33 . 1 1 29 29 LEU N N 29 117.758 117.758 118.114 -0.356 18732 10502 1 33 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.503 0.086 18732 10503 1 33 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.407 -2.833 18732 10504 1 33 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.933 -3.043 18732 10505 1 33 . 1 1 30 30 ALA N N 30 122.493 122.493 118.436 4.057 18732 10506 1 33 . 1 1 30 30 ALA HA H 30 4.851 4.851 5.036 -0.185 18732 10507 1 33 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.772 -1.917 18732 10508 1 33 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.168 -2.500 18732 10509 1 33 . 1 1 31 31 GLN N N 31 118.936 118.936 116.587 2.349 18732 10510 1 33 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.751 -0.112 18732 10511 1 33 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.389 -3.118 18732 10512 1 33 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.867 -4.024 18732 10513 1 33 . 1 1 32 32 VAL N N 32 123.815 123.815 122.093 1.722 18732 10514 1 33 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.443 0.222 18732 10515 1 33 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.725 -1.460 18732 10516 1 33 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.967 -4.089 18732 10517 1 33 . 1 1 33 33 LEU N N 33 128.709 128.709 122.357 6.352 18732 10518 1 33 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.753 -0.511 18732 10519 1 33 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.402 -1.019 18732 10520 1 33 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.954 -1.831 18732 10521 1 33 . 1 1 34 34 PHE N N 34 114.779 114.779 119.689 -4.910 18732 10522 1 33 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.660 -0.754 18732 10523 1 33 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.791 -3.876 18732 10524 1 33 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.493 -2.840 18732 10525 1 33 . 1 1 35 35 LYS N N 35 120.077 120.077 125.357 -5.280 18732 10526 1 33 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.605 0.633 18732 10527 1 33 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.421 -3.124 18732 10528 1 33 . 1 1 35 35 LYS CB C 35 32.998 32.998 33.784 -0.786 18732 10529 1 33 . 1 1 36 36 GLN N N 36 119.491 119.491 124.091 -4.600 18732 10530 1 33 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.591 0.645 18732 10531 1 33 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.877 -2.680 18732 10532 1 33 . 1 1 36 36 GLN CB C 36 30.609 30.609 32.270 -1.661 18732 10533 1 33 . 1 1 37 37 LYS N N 37 128.471 128.471 124.515 3.956 18732 10534 1 33 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.183 0.612 18732 10535 1 33 . 1 1 37 37 LYS CA C 37 54.661 54.661 56.056 -1.395 18732 10536 1 33 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.453 -2.180 18732 10537 1 33 . 1 1 38 38 VAL N N 38 125.112 125.112 114.244 10.868 18732 10538 1 33 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.587 -0.250 18732 10539 1 33 . 1 1 38 38 VAL CA C 38 60.252 60.252 59.729 0.523 18732 10540 1 33 . 1 1 38 38 VAL CB C 38 30.720 30.720 34.083 -3.363 18732 10541 1 33 . 1 1 39 39 TRP N N 39 123.085 123.085 122.784 0.301 18732 10542 1 33 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.468 0.381 18732 10543 1 33 . 1 1 39 39 TRP CA C 39 54.206 54.206 58.240 -4.034 18732 10544 1 33 . 1 1 39 39 TRP CB C 39 30.461 30.461 29.366 1.095 18732 10545 1 33 . 1 1 40 40 ASP N N 40 123.000 123.000 129.823 -6.823 18732 10546 1 33 . 1 1 40 40 ASP HA H 40 5.128 5.128 5.000 0.128 18732 10547 1 33 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.322 -2.217 18732 10548 1 33 . 1 1 40 40 ASP CB C 40 41.077 41.077 41.887 -0.810 18732 10549 1 33 . 1 1 41 41 ARG N N 41 123.259 123.259 121.489 1.770 18732 10550 1 33 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.320 0.228 18732 10551 1 33 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.053 -1.430 18732 10552 1 33 . 1 1 41 41 ARG CB C 41 31.417 31.417 33.826 -2.409 18732 10553 1 33 . 1 1 42 42 LYS N N 42 124.798 124.798 120.341 4.457 18732 10554 1 33 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.737 -0.049 18732 10555 1 33 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.760 -0.987 18732 10556 1 33 . 1 1 42 42 LYS CB C 42 31.787 31.787 35.411 -3.624 18732 10557 1 33 . 1 1 43 43 ARG N N 43 124.461 124.461 118.565 5.896 18732 10558 1 33 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.627 0.022 18732 10559 1 33 . 1 1 43 43 ARG CA C 43 52.179 52.179 54.785 -2.607 18732 10560 1 33 . 1 1 43 43 ARG CB C 43 30.149 30.149 32.922 -2.773 18732 10561 1 33 . 1 1 44 44 LYS N N 44 121.297 121.297 121.056 0.241 18732 10562 1 33 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.091 -0.068 18732 10563 1 33 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.880 -2.244 18732 10564 1 33 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.476 -2.364 18732 10565 1 33 . 1 1 45 45 ASP N N 45 115.145 115.145 114.657 0.488 18732 10566 1 33 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.921 -0.171 18732 10567 1 33 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.794 -2.694 18732 10568 1 33 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.632 -2.939 18732 10569 1 33 . 1 1 46 46 GLU N N 46 118.274 118.274 118.486 -0.212 18732 10570 1 33 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.800 -0.333 18732 10571 1 33 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.035 -1.313 18732 10572 1 33 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.781 -3.711 18732 10573 1 33 . 1 1 47 47 ALA N N 47 127.506 127.506 121.859 5.647 18732 10574 1 33 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.893 -0.199 18732 10575 1 33 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.523 -2.415 18732 10576 1 33 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.129 -3.287 18732 10577 1 33 . 1 1 48 48 VAL N N 48 118.088 118.088 113.664 4.424 18732 10578 1 33 . 1 1 48 48 VAL HA H 48 5.345 5.345 5.387 -0.042 18732 10579 1 33 . 1 1 48 48 VAL CA C 48 57.625 57.625 59.468 -1.843 18732 10580 1 33 . 1 1 48 48 VAL CB C 48 33.496 33.496 35.795 -2.299 18732 10581 1 33 . 1 1 49 49 LYS N N 49 124.725 124.725 120.935 3.790 18732 10582 1 33 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.845 0.512 18732 10583 1 33 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.946 -3.907 18732 10584 1 33 . 1 1 50 50 GLN N N 50 121.028 121.028 120.482 0.546 18732 10585 1 33 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.543 0.443 18732 10586 1 33 . 1 1 50 50 GLN CA C 50 52.113 52.113 56.883 -4.770 18732 10587 1 33 . 1 1 50 50 GLN CB C 50 23.684 23.684 29.736 -6.052 18732 10588 1 33 . 1 1 51 51 TYR N N 51 124.549 124.549 115.530 9.019 18732 10589 1 33 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.985 0.233 18732 10590 1 33 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.225 -2.675 18732 10591 1 33 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.304 -2.025 18732 10592 1 33 . 1 1 52 52 HIS N N 52 121.301 121.301 122.869 -1.568 18732 10593 1 33 . 1 1 52 52 HIS HA H 52 5.219 5.219 4.630 0.589 18732 10594 1 33 . 1 1 52 52 HIS CA C 52 51.708 51.708 53.528 -1.819 18732 10595 1 33 . 1 1 52 52 HIS CB C 52 28.907 28.907 28.794 0.113 18732 10596 1 33 . 1 1 53 53 LEU N N 53 127.743 127.743 126.011 1.732 18732 10597 1 33 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.304 0.904 18732 10598 1 33 . 1 1 53 53 LEU CA C 53 50.887 50.887 55.949 -5.062 18732 10599 1 33 . 1 1 53 53 LEU CB C 53 42.084 42.084 43.487 -1.403 18732 10600 1 33 . 1 1 54 54 THR N N 54 117.996 117.996 116.241 1.755 18732 10601 1 33 . 1 1 54 54 THR HA H 54 4.600 4.600 4.440 0.160 18732 10602 1 33 . 1 1 54 54 THR CA C 54 59.774 59.774 62.051 -2.277 18732 10603 1 33 . 1 1 54 54 THR CB C 54 67.153 67.153 70.157 -3.004 18732 10604 1 33 . 1 1 55 55 LEU N N 55 129.329 129.329 125.192 4.137 18732 10605 1 33 . 1 1 55 55 LEU HA H 55 5.074 5.074 5.114 -0.040 18732 10606 1 33 . 1 1 55 55 LEU CA C 55 50.769 50.769 52.883 -2.114 18732 10607 1 33 . 1 1 55 55 LEU CB C 55 42.090 42.090 44.292 -2.202 18732 10608 1 33 . 1 1 56 56 ARG N N 56 117.231 117.231 120.089 -2.858 18732 10609 1 33 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.702 0.655 18732 10610 1 33 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.702 -2.827 18732 10611 1 33 . 1 1 56 56 ARG CB C 56 31.945 31.945 33.491 -1.546 18732 10612 1 33 . 1 1 57 57 GLU N N 57 128.411 128.411 128.656 -0.245 18732 10613 1 33 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.876 -0.185 18732 10614 1 33 . 1 1 57 57 GLU CA C 57 52.864 52.864 54.893 -2.029 18732 10615 1 33 . 1 1 57 57 GLU CB C 57 29.942 29.942 31.390 -1.448 18732 10616 1 33 . 1 1 58 58 GLY N N 58 118.265 118.265 117.754 0.511 18732 10617 1 33 . 1 1 58 58 GLY CA C 58 44.943 44.943 46.847 -1.904 18732 10618 1 33 . 1 1 59 59 SER N N 59 122.061 122.061 120.695 1.366 18732 10619 1 33 . 1 1 59 59 SER HA H 59 4.567 4.567 4.668 -0.101 18732 10620 1 33 . 1 1 59 59 SER CA C 59 55.730 55.730 57.417 -1.687 18732 10621 1 33 . 1 1 59 59 SER CB C 59 61.262 61.262 63.497 -2.235 18732 10622 1 33 . 1 1 60 60 LYS N N 60 124.154 124.154 121.808 2.346 18732 10623 1 33 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.632 -0.012 18732 10624 1 33 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.754 -2.310 18732 10625 1 33 . 1 1 60 60 LYS CB C 60 32.144 32.144 35.219 -3.075 18732 10626 1 33 . 1 1 61 61 GLU N N 61 125.701 125.701 122.755 2.946 18732 10627 1 33 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.141 0.373 18732 10628 1 33 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.504 -3.397 18732 10629 1 33 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.487 -2.947 18732 10630 1 33 . 1 1 62 62 PHE N N 62 121.360 121.360 118.360 3.000 18732 10631 1 33 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.877 0.169 18732 10632 1 33 . 1 1 62 62 PHE CA C 62 53.363 53.363 56.286 -2.923 18732 10633 1 33 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.740 -3.941 18732 10634 1 33 . 1 1 63 63 GLY N N 63 107.546 107.546 108.685 -1.139 18732 10635 1 33 . 1 1 63 63 GLY CA C 63 41.632 41.632 44.144 -2.512 18732 10636 1 33 . 1 1 64 64 VAL N N 64 115.031 115.031 117.004 -1.973 18732 10637 1 33 . 1 1 64 64 VAL HA H 64 5.020 5.020 5.183 -0.163 18732 10638 1 33 . 1 1 64 64 VAL CA C 64 57.030 57.030 58.589 -1.559 18732 10639 1 33 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.200 -1.048 18732 10640 1 33 . 1 1 65 65 PHE N N 65 122.208 122.208 117.028 5.180 18732 10641 1 33 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.812 -0.180 18732 10642 1 33 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.578 -2.578 18732 10643 1 33 . 1 1 65 65 PHE CB C 65 39.295 39.295 43.526 -4.231 18732 10644 1 33 . 1 1 66 66 VAL N N 66 123.832 123.832 121.195 2.637 18732 10645 1 33 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.745 0.412 18732 10646 1 33 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.340 -2.707 18732 10647 1 33 . 1 1 66 66 VAL CB C 66 32.312 32.312 35.104 -2.792 18732 10648 1 33 . 1 1 67 67 THR N N 67 125.293 125.293 124.218 1.075 18732 10649 1 33 . 1 1 67 67 THR CA C 67 57.150 57.150 61.930 -4.780 18732 10650 1 33 . 1 1 67 67 THR CB C 67 67.050 67.050 69.756 -2.706 18732 10651 1 33 . 1 1 68 68 ILE N N 68 128.624 128.624 128.113 0.511 18732 10652 1 33 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.430 0.433 18732 10653 1 33 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.409 -2.176 18732 10654 1 33 . 1 1 68 68 ILE CB C 68 39.314 39.314 40.703 -1.389 18732 10655 1 33 . 1 1 69 69 SER N N 69 122.023 122.023 123.395 -1.372 18732 10656 1 33 . 1 1 69 69 SER HA H 69 5.804 5.804 5.246 0.558 18732 10657 1 33 . 1 1 69 69 SER CA C 69 53.530 53.530 57.126 -3.596 18732 10658 1 33 . 1 1 69 69 SER CB C 69 61.921 61.921 63.189 -1.268 18732 10659 1 33 . 1 1 70 70 PHE N N 70 123.800 123.800 122.251 1.549 18732 10660 1 33 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.333 0.044 18732 10661 1 33 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.261 -2.118 18732 10662 1 33 . 1 1 70 70 PHE CB C 70 40.368 40.368 42.270 -1.902 18732 10663 1 33 . 1 1 71 71 ASP N N 71 121.547 121.547 117.455 4.092 18732 10664 1 33 . 1 1 71 71 ASP HA H 71 5.099 5.099 4.977 0.122 18732 10665 1 33 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.067 -1.845 18732 10666 1 33 . 1 1 71 71 ASP CB C 71 40.845 40.845 43.029 -2.184 18732 10667 1 33 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.613 -0.248 18732 10668 1 33 . 1 1 72 72 PRO CA C 72 61.599 61.599 63.838 -2.239 18732 10669 1 33 . 1 1 72 72 PRO CB C 72 29.666 29.666 31.809 -2.143 18732 10670 1 33 . 1 1 73 73 TYR N N 73 118.085 118.085 119.425 -1.340 18732 10671 1 33 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.503 0.123 18732 10672 1 33 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.208 -2.878 18732 10673 1 33 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.940 -3.360 18732 10674 1 33 . 1 1 74 74 SER N N 74 113.942 113.942 111.358 2.584 18732 10675 1 33 . 1 1 74 74 SER HA H 74 4.506 4.506 4.559 -0.053 18732 10676 1 33 . 1 1 74 74 SER CA C 74 56.253 56.253 58.500 -2.247 18732 10677 1 33 . 1 1 74 74 SER CB C 74 62.670 62.670 64.569 -1.899 18732 10678 1 33 . 1 1 75 75 GLN N N 75 115.717 115.717 118.942 -3.225 18732 10679 1 33 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.528 -0.284 18732 10680 1 33 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.566 -1.994 18732 10681 1 33 . 1 1 75 75 GLN CB C 75 23.623 23.623 27.179 -3.556 18732 10682 1 33 . 1 1 76 76 LYS N N 76 119.205 119.205 121.201 -1.996 18732 10683 1 33 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.536 -0.092 18732 10684 1 33 . 1 1 76 76 LYS CA C 76 54.013 54.013 55.915 -1.902 18732 10685 1 33 . 1 1 76 76 LYS CB C 76 31.375 31.375 34.016 -2.641 18732 10686 1 33 . 1 1 77 77 VAL N N 77 125.587 125.587 125.137 0.450 18732 10687 1 33 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.418 -0.414 18732 10688 1 33 . 1 1 77 77 VAL CA C 77 61.558 61.558 60.813 0.745 18732 10689 1 33 . 1 1 77 77 VAL CB C 77 30.401 30.401 32.869 -2.468 18732 10690 1 33 . 1 1 78 78 ASN N N 78 126.604 126.604 129.159 -2.555 18732 10691 1 33 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.762 0.188 18732 10692 1 33 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.861 -3.284 18732 10693 1 33 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.324 -1.962 18732 10694 1 33 . 1 1 79 79 LYS N N 79 118.463 118.463 118.607 -0.144 18732 10695 1 33 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.803 -0.185 18732 10696 1 33 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.866 -2.294 18732 10697 1 33 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.102 -2.573 18732 10698 1 33 . 1 1 80 80 ILE N N 80 123.294 123.294 120.709 2.585 18732 10699 1 33 . 1 1 80 80 ILE HA H 80 5.071 5.071 4.935 0.136 18732 10700 1 33 . 1 1 80 80 ILE CA C 80 57.696 57.696 60.448 -2.752 18732 10701 1 33 . 1 1 80 80 ILE CB C 80 38.260 38.260 40.666 -2.406 18732 10702 1 33 . 1 1 81 81 ALA N N 81 130.466 130.466 128.477 1.989 18732 10703 1 33 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.803 0.233 18732 10704 1 33 . 1 1 81 81 ALA CA C 81 48.222 48.222 50.980 -2.758 18732 10705 1 33 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.752 -2.678 18732 10706 1 33 . 1 1 82 82 ILE N N 82 122.249 122.249 119.501 2.748 18732 10707 1 33 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.624 0.618 18732 10708 1 33 . 1 1 82 82 ILE CA C 82 57.675 57.675 60.410 -2.735 18732 10709 1 33 . 1 1 82 82 ILE CB C 82 37.792 37.792 40.158 -2.366 18732 10710 1 33 . 1 1 83 83 LEU N N 83 129.605 129.605 129.416 0.189 18732 10711 1 33 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.919 0.035 18732 10712 1 33 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.515 -2.183 18732 10713 1 33 . 1 1 83 83 LEU CB C 83 43.475 43.475 45.767 -2.292 18732 10714 1 33 . 1 1 84 84 GLU N N 84 125.594 125.594 120.279 5.315 18732 10715 1 33 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.723 -0.011 18732 10716 1 33 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.468 -1.078 18732 10717 1 33 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.016 -4.894 18732 10718 1 33 . 1 1 85 85 GLU N N 85 123.904 123.904 121.215 2.689 18732 10719 1 33 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.348 0.081 18732 10720 1 33 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.207 -2.311 18732 10721 1 33 . 1 1 85 85 GLU CB C 85 28.642 28.642 31.014 -2.372 18732 10722 1 33 . 1 1 86 86 TYR N N 86 123.323 123.323 119.123 4.200 18732 10723 1 33 . 1 1 86 86 TYR HA H 86 4.721 4.721 5.091 -0.370 18732 10724 1 33 . 1 1 86 86 TYR CA C 86 53.909 53.909 56.908 -2.999 18732 10725 1 33 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.879 -3.283 18732 10726 1 34 . 1 1 2 2 GLU N N 2 120.598 120.598 122.088 -1.490 18732 10727 1 34 . 1 1 2 2 GLU CA C 2 53.965 53.965 56.443 -2.478 18732 10728 1 34 . 1 1 2 2 GLU CB C 2 27.978 27.978 31.142 -3.164 18732 10729 1 34 . 1 1 3 3 GLU N N 3 120.984 120.984 123.790 -2.806 18732 10730 1 34 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.045 0.153 18732 10731 1 34 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.533 2.502 18732 10732 1 34 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.193 0.075 18732 10733 1 34 . 1 1 4 4 THR N N 4 117.936 117.936 107.188 10.748 18732 10734 1 34 . 1 1 4 4 THR HA H 4 4.665 4.665 4.838 -0.173 18732 10735 1 34 . 1 1 4 4 THR CA C 4 57.307 57.307 59.444 -2.137 18732 10736 1 34 . 1 1 4 4 THR CB C 4 67.215 67.215 70.623 -3.408 18732 10737 1 34 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.388 -2.648 18732 10738 1 34 . 1 1 5 5 PRO CB C 5 29.700 29.700 32.336 -2.636 18732 10739 1 34 . 1 1 6 6 LEU N N 6 122.097 122.097 120.809 1.288 18732 10740 1 34 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.352 0.029 18732 10741 1 34 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.677 -1.662 18732 10742 1 34 . 1 1 6 6 LEU CB C 6 40.054 40.054 40.101 -0.047 18732 10743 1 34 . 1 1 8 8 THR N N 8 116.987 116.987 117.063 -0.076 18732 10744 1 34 . 1 1 8 8 THR HA H 8 4.348 4.348 4.303 0.045 18732 10745 1 34 . 1 1 8 8 THR CA C 8 59.340 59.340 62.854 -3.514 18732 10746 1 34 . 1 1 8 8 THR CB C 8 67.234 67.234 69.771 -2.537 18732 10747 1 34 . 1 1 9 9 ALA N N 9 125.944 125.944 127.138 -1.194 18732 10748 1 34 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.312 0.062 18732 10749 1 34 . 1 1 9 9 ALA CA C 9 50.009 50.009 51.912 -1.903 18732 10750 1 34 . 1 1 9 9 ALA CB C 9 16.807 16.807 19.580 -2.773 18732 10751 1 34 . 1 1 10 10 ARG N N 10 119.637 119.637 117.924 1.713 18732 10752 1 34 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.095 0.228 18732 10753 1 34 . 1 1 10 10 ARG CA C 10 53.532 53.532 57.111 -3.579 18732 10754 1 34 . 1 1 10 10 ARG CB C 10 28.492 28.492 28.395 0.097 18732 10755 1 34 . 1 1 11 11 HIS N N 11 119.667 119.667 121.633 -1.966 18732 10756 1 34 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.594 0.123 18732 10757 1 34 . 1 1 11 11 HIS CA C 11 52.790 52.790 54.691 -1.901 18732 10758 1 34 . 1 1 11 11 HIS CB C 11 27.033 27.033 29.063 -2.030 18732 10759 1 34 . 1 1 12 12 MET N N 12 122.280 122.280 125.077 -2.797 18732 10760 1 34 . 1 1 12 12 MET HA H 12 4.543 4.543 4.430 0.113 18732 10761 1 34 . 1 1 12 12 MET CA C 12 53.058 53.058 56.410 -3.352 18732 10762 1 34 . 1 1 12 12 MET CB C 12 29.647 29.647 33.500 -3.853 18732 10763 1 34 . 1 1 13 13 SER N N 13 118.363 118.363 112.323 6.040 18732 10764 1 34 . 1 1 13 13 SER HA H 13 4.515 4.515 4.635 -0.120 18732 10765 1 34 . 1 1 13 13 SER CA C 13 55.083 55.083 56.829 -1.746 18732 10766 1 34 . 1 1 13 13 SER CB C 13 62.243 62.243 64.683 -2.440 18732 10767 1 34 . 1 1 14 14 LYS N N 14 123.039 123.039 123.155 -0.116 18732 10768 1 34 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.989 -0.063 18732 10769 1 34 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.790 -2.910 18732 10770 1 34 . 1 1 14 14 LYS CB C 14 29.495 29.495 32.077 -2.582 18732 10771 1 34 . 1 1 15 15 TRP N N 15 118.585 118.585 118.914 -0.329 18732 10772 1 34 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.541 -0.162 18732 10773 1 34 . 1 1 15 15 TRP CA C 15 55.569 55.569 58.361 -2.792 18732 10774 1 34 . 1 1 15 15 TRP CB C 15 27.426 27.426 28.967 -1.541 18732 10775 1 34 . 1 1 16 16 GLU N N 16 119.418 119.418 119.789 -0.371 18732 10776 1 34 . 1 1 16 16 GLU HA H 16 2.976 2.976 2.608 0.368 18732 10777 1 34 . 1 1 16 16 GLU CA C 16 56.540 56.540 58.960 -2.420 18732 10778 1 34 . 1 1 16 16 GLU CB C 16 27.787 27.787 27.631 0.156 18732 10779 1 34 . 1 1 17 17 GLU N N 17 117.377 117.377 119.230 -1.853 18732 10780 1 34 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.023 -0.113 18732 10781 1 34 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.035 -2.137 18732 10782 1 34 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.650 -2.797 18732 10783 1 34 . 1 1 18 18 ILE N N 18 119.807 119.807 119.051 0.756 18732 10784 1 34 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.744 -0.076 18732 10785 1 34 . 1 1 18 18 ILE CA C 18 62.745 62.745 64.856 -2.111 18732 10786 1 34 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.607 -1.944 18732 10787 1 34 . 1 1 19 19 ALA N N 19 121.744 121.744 123.797 -2.053 18732 10788 1 34 . 1 1 19 19 ALA HA H 19 3.955 3.955 3.976 -0.021 18732 10789 1 34 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.266 -1.823 18732 10790 1 34 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.103 -2.829 18732 10791 1 34 . 1 1 20 20 VAL N N 20 115.918 115.918 117.564 -1.646 18732 10792 1 34 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.600 -0.201 18732 10793 1 34 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.777 -2.448 18732 10794 1 34 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.548 -2.144 18732 10795 1 34 . 1 1 21 21 LYS N N 21 119.785 119.785 118.402 1.383 18732 10796 1 34 . 1 1 21 21 LYS HA H 21 3.921 3.921 4.041 -0.120 18732 10797 1 34 . 1 1 21 21 LYS CA C 21 57.442 57.442 59.262 -1.820 18732 10798 1 34 . 1 1 21 21 LYS CB C 21 33.512 33.512 31.814 1.698 18732 10799 1 34 . 1 1 22 22 GLU N N 22 118.955 118.955 120.151 -1.196 18732 10800 1 34 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.090 -0.021 18732 10801 1 34 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.109 -2.848 18732 10802 1 34 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.240 -3.144 18732 10803 1 34 . 1 1 23 23 ALA N N 23 122.253 122.253 118.591 3.662 18732 10804 1 34 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.296 -0.195 18732 10805 1 34 . 1 1 23 23 ALA CA C 23 53.226 53.226 53.864 -0.638 18732 10806 1 34 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.481 -2.972 18732 10807 1 34 . 1 1 24 24 LYS N N 24 116.889 116.889 114.567 2.322 18732 10808 1 34 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.511 -0.492 18732 10809 1 34 . 1 1 24 24 LYS CA C 24 55.745 55.745 57.385 -1.640 18732 10810 1 34 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.678 -4.493 18732 10811 1 34 . 1 1 25 25 LYS N N 25 117.772 117.772 122.429 -4.657 18732 10812 1 34 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.093 -0.070 18732 10813 1 34 . 1 1 25 25 LYS CA C 25 56.340 56.340 59.325 -2.985 18732 10814 1 34 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.559 -2.357 18732 10815 1 34 . 1 1 26 26 ARG N N 26 117.176 117.176 118.721 -1.545 18732 10816 1 34 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.185 -0.128 18732 10817 1 34 . 1 1 26 26 ARG CA C 26 53.991 53.991 56.551 -2.560 18732 10818 1 34 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.665 -2.631 18732 10819 1 34 . 1 1 27 27 TYR N N 27 117.344 117.344 118.281 -0.937 18732 10820 1 34 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.898 0.184 18732 10821 1 34 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.714 -3.156 18732 10822 1 34 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.931 -2.944 18732 10823 1 34 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.401 0.348 18732 10824 1 34 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.970 -2.577 18732 10825 1 34 . 1 1 28 28 PRO CB C 28 29.855 29.855 31.989 -2.135 18732 10826 1 34 . 1 1 29 29 LEU N N 29 117.758 117.758 117.672 0.086 18732 10827 1 34 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.473 0.116 18732 10828 1 34 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.533 -2.959 18732 10829 1 34 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.892 -3.002 18732 10830 1 34 . 1 1 30 30 ALA N N 30 122.493 122.493 118.274 4.219 18732 10831 1 34 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.971 -0.120 18732 10832 1 34 . 1 1 30 30 ALA CA C 30 48.855 48.855 50.763 -1.908 18732 10833 1 34 . 1 1 30 30 ALA CB C 30 19.668 19.668 22.027 -2.359 18732 10834 1 34 . 1 1 31 31 GLN N N 31 118.936 118.936 118.697 0.239 18732 10835 1 34 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.775 -0.136 18732 10836 1 34 . 1 1 31 31 GLN CA C 31 51.271 51.271 53.367 -2.096 18732 10837 1 34 . 1 1 31 31 GLN CB C 31 28.843 28.843 31.118 -2.275 18732 10838 1 34 . 1 1 32 32 VAL N N 32 123.815 123.815 122.675 1.140 18732 10839 1 34 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.054 0.611 18732 10840 1 34 . 1 1 32 32 VAL CA C 32 60.265 60.265 62.168 -1.903 18732 10841 1 34 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.458 -3.580 18732 10842 1 34 . 1 1 33 33 LEU N N 33 128.709 128.709 122.523 6.186 18732 10843 1 34 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.612 -0.369 18732 10844 1 34 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.767 -1.384 18732 10845 1 34 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.587 -1.464 18732 10846 1 34 . 1 1 34 34 PHE N N 34 114.779 114.779 118.248 -3.469 18732 10847 1 34 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.731 -0.825 18732 10848 1 34 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.151 -3.236 18732 10849 1 34 . 1 1 34 34 PHE CB C 34 40.653 40.653 42.406 -1.753 18732 10850 1 34 . 1 1 35 35 LYS N N 35 120.077 120.077 119.026 1.051 18732 10851 1 34 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.592 0.646 18732 10852 1 34 . 1 1 35 35 LYS CA C 35 52.297 52.297 56.088 -3.791 18732 10853 1 34 . 1 1 35 35 LYS CB C 35 32.998 32.998 33.921 -0.923 18732 10854 1 34 . 1 1 36 36 GLN N N 36 119.491 119.491 120.543 -1.052 18732 10855 1 34 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.780 0.456 18732 10856 1 34 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.395 -2.198 18732 10857 1 34 . 1 1 36 36 GLN CB C 36 30.609 30.609 32.153 -1.544 18732 10858 1 34 . 1 1 37 37 LYS N N 37 128.471 128.471 119.930 8.541 18732 10859 1 34 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.389 0.406 18732 10860 1 34 . 1 1 37 37 LYS CA C 37 54.661 54.661 56.128 -1.467 18732 10861 1 34 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.118 -1.845 18732 10862 1 34 . 1 1 38 38 VAL N N 38 125.112 125.112 118.560 6.552 18732 10863 1 34 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.399 -0.062 18732 10864 1 34 . 1 1 38 38 VAL CA C 38 60.252 60.252 60.925 -0.673 18732 10865 1 34 . 1 1 38 38 VAL CB C 38 30.720 30.720 34.252 -3.532 18732 10866 1 34 . 1 1 39 39 TRP N N 39 123.085 123.085 124.437 -1.352 18732 10867 1 34 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.548 0.301 18732 10868 1 34 . 1 1 39 39 TRP CA C 39 54.206 54.206 57.835 -3.629 18732 10869 1 34 . 1 1 39 39 TRP CB C 39 30.461 30.461 30.406 0.055 18732 10870 1 34 . 1 1 40 40 ASP N N 40 123.000 123.000 125.333 -2.333 18732 10871 1 34 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.704 0.424 18732 10872 1 34 . 1 1 40 40 ASP CA C 40 51.105 51.105 52.705 -1.600 18732 10873 1 34 . 1 1 40 40 ASP CB C 40 41.077 41.077 43.480 -2.403 18732 10874 1 34 . 1 1 41 41 ARG N N 41 123.259 123.259 120.999 2.260 18732 10875 1 34 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.186 0.362 18732 10876 1 34 . 1 1 41 41 ARG CA C 41 52.623 52.623 55.137 -2.514 18732 10877 1 34 . 1 1 41 41 ARG CB C 41 31.417 31.417 33.463 -2.046 18732 10878 1 34 . 1 1 42 42 LYS N N 42 124.798 124.798 123.164 1.634 18732 10879 1 34 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.361 0.327 18732 10880 1 34 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.723 -0.950 18732 10881 1 34 . 1 1 42 42 LYS CB C 42 31.787 31.787 34.283 -2.497 18732 10882 1 34 . 1 1 43 43 ARG N N 43 124.461 124.461 122.216 2.245 18732 10883 1 34 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.679 -0.030 18732 10884 1 34 . 1 1 43 43 ARG CA C 43 52.179 52.179 55.087 -2.908 18732 10885 1 34 . 1 1 43 43 ARG CB C 43 30.149 30.149 31.888 -1.739 18732 10886 1 34 . 1 1 44 44 LYS N N 44 121.297 121.297 120.196 1.101 18732 10887 1 34 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.104 -0.081 18732 10888 1 34 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.580 -1.944 18732 10889 1 34 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.709 -2.597 18732 10890 1 34 . 1 1 45 45 ASP N N 45 115.145 115.145 113.364 1.781 18732 10891 1 34 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.886 -0.136 18732 10892 1 34 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.314 -2.214 18732 10893 1 34 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.103 -2.410 18732 10894 1 34 . 1 1 46 46 GLU N N 46 118.274 118.274 118.326 -0.052 18732 10895 1 34 . 1 1 46 46 GLU HA H 46 4.467 4.467 5.016 -0.549 18732 10896 1 34 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.082 -1.360 18732 10897 1 34 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.979 -3.909 18732 10898 1 34 . 1 1 47 47 ALA N N 47 127.506 127.506 121.387 6.119 18732 10899 1 34 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.500 0.194 18732 10900 1 34 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.718 -2.610 18732 10901 1 34 . 1 1 47 47 ALA CB C 47 18.842 18.842 21.771 -2.929 18732 10902 1 34 . 1 1 48 48 VAL N N 48 118.088 118.088 120.969 -2.881 18732 10903 1 34 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.563 0.782 18732 10904 1 34 . 1 1 48 48 VAL CA C 48 57.625 57.625 60.828 -3.203 18732 10905 1 34 . 1 1 48 48 VAL CB C 48 33.496 33.496 35.447 -1.950 18732 10906 1 34 . 1 1 49 49 LYS N N 49 124.725 124.725 122.403 2.322 18732 10907 1 34 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.627 0.730 18732 10908 1 34 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.537 -3.498 18732 10909 1 34 . 1 1 50 50 GLN N N 50 121.028 121.028 121.925 -0.897 18732 10910 1 34 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.628 0.358 18732 10911 1 34 . 1 1 50 50 GLN CA C 50 52.113 52.113 56.268 -4.155 18732 10912 1 34 . 1 1 50 50 GLN CB C 50 23.684 23.684 30.399 -6.715 18732 10913 1 34 . 1 1 51 51 TYR N N 51 124.549 124.549 114.947 9.602 18732 10914 1 34 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.773 0.445 18732 10915 1 34 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.232 -2.682 18732 10916 1 34 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.208 -1.928 18732 10917 1 34 . 1 1 52 52 HIS N N 52 121.301 121.301 121.495 -0.194 18732 10918 1 34 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.218 0.001 18732 10919 1 34 . 1 1 52 52 HIS CA C 52 51.708 51.708 53.655 -1.947 18732 10920 1 34 . 1 1 52 52 HIS CB C 52 28.907 28.907 31.589 -2.682 18732 10921 1 34 . 1 1 53 53 LEU N N 53 127.743 127.743 126.212 1.531 18732 10922 1 34 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.701 0.507 18732 10923 1 34 . 1 1 53 53 LEU CA C 53 50.887 50.887 52.676 -1.789 18732 10924 1 34 . 1 1 53 53 LEU CB C 53 42.084 42.084 45.080 -2.996 18732 10925 1 34 . 1 1 54 54 THR N N 54 117.996 117.996 117.691 0.305 18732 10926 1 34 . 1 1 54 54 THR HA H 54 4.600 4.600 4.495 0.105 18732 10927 1 34 . 1 1 54 54 THR CA C 54 59.774 59.774 61.145 -1.371 18732 10928 1 34 . 1 1 54 54 THR CB C 54 67.153 67.153 68.903 -1.750 18732 10929 1 34 . 1 1 55 55 LEU N N 55 129.329 129.329 126.460 2.869 18732 10930 1 34 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.581 0.493 18732 10931 1 34 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.665 -2.896 18732 10932 1 34 . 1 1 55 55 LEU CB C 55 42.090 42.090 41.801 0.289 18732 10933 1 34 . 1 1 56 56 ARG N N 56 117.231 117.231 120.467 -3.236 18732 10934 1 34 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.988 0.369 18732 10935 1 34 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.768 -2.893 18732 10936 1 34 . 1 1 56 56 ARG CB C 56 31.945 31.945 33.511 -1.566 18732 10937 1 34 . 1 1 57 57 GLU N N 57 128.411 128.411 128.734 -0.323 18732 10938 1 34 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.859 -0.168 18732 10939 1 34 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.292 -2.428 18732 10940 1 34 . 1 1 57 57 GLU CB C 57 29.942 29.942 32.394 -2.452 18732 10941 1 34 . 1 1 58 58 GLY N N 58 118.265 118.265 117.698 0.567 18732 10942 1 34 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.095 -2.152 18732 10943 1 34 . 1 1 59 59 SER N N 59 122.061 122.061 120.493 1.568 18732 10944 1 34 . 1 1 59 59 SER HA H 59 4.567 4.567 4.686 -0.119 18732 10945 1 34 . 1 1 59 59 SER CA C 59 55.730 55.730 57.767 -2.037 18732 10946 1 34 . 1 1 59 59 SER CB C 59 61.262 61.262 63.648 -2.386 18732 10947 1 34 . 1 1 60 60 LYS N N 60 124.154 124.154 122.154 2.000 18732 10948 1 34 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.635 -0.015 18732 10949 1 34 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.992 -2.548 18732 10950 1 34 . 1 1 60 60 LYS CB C 60 32.144 32.144 34.707 -2.563 18732 10951 1 34 . 1 1 61 61 GLU N N 61 125.701 125.701 122.974 2.727 18732 10952 1 34 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.483 0.031 18732 10953 1 34 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.391 -3.285 18732 10954 1 34 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.597 -3.057 18732 10955 1 34 . 1 1 62 62 PHE N N 62 121.360 121.360 119.850 1.510 18732 10956 1 34 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.905 0.141 18732 10957 1 34 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.985 -2.622 18732 10958 1 34 . 1 1 62 62 PHE CB C 62 37.799 37.799 40.985 -3.186 18732 10959 1 34 . 1 1 63 63 GLY N N 63 107.546 107.546 106.382 1.164 18732 10960 1 34 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.425 -1.793 18732 10961 1 34 . 1 1 64 64 VAL N N 64 115.031 115.031 116.100 -1.069 18732 10962 1 34 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.644 0.376 18732 10963 1 34 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.309 -2.279 18732 10964 1 34 . 1 1 64 64 VAL CB C 64 34.152 34.152 34.881 -0.729 18732 10965 1 34 . 1 1 65 65 PHE N N 65 122.208 122.208 119.605 2.603 18732 10966 1 34 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.798 -0.166 18732 10967 1 34 . 1 1 65 65 PHE CA C 65 54.000 54.000 55.949 -1.949 18732 10968 1 34 . 1 1 65 65 PHE CB C 65 39.295 39.295 43.278 -3.983 18732 10969 1 34 . 1 1 66 66 VAL N N 66 123.832 123.832 120.415 3.417 18732 10970 1 34 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.550 0.607 18732 10971 1 34 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.547 -2.913 18732 10972 1 34 . 1 1 66 66 VAL CB C 66 32.312 32.312 33.695 -1.383 18732 10973 1 34 . 1 1 67 67 THR N N 67 125.293 125.293 124.682 0.611 18732 10974 1 34 . 1 1 67 67 THR CA C 67 57.150 57.150 63.346 -6.196 18732 10975 1 34 . 1 1 67 67 THR CB C 67 67.050 67.050 69.196 -2.146 18732 10976 1 34 . 1 1 68 68 ILE N N 68 128.624 128.624 129.334 -0.710 18732 10977 1 34 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.470 0.393 18732 10978 1 34 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.082 -1.849 18732 10979 1 34 . 1 1 68 68 ILE CB C 68 39.314 39.314 38.700 0.614 18732 10980 1 34 . 1 1 69 69 SER N N 69 122.023 122.023 123.234 -1.211 18732 10981 1 34 . 1 1 69 69 SER HA H 69 5.804 5.804 4.520 1.284 18732 10982 1 34 . 1 1 69 69 SER CA C 69 53.530 53.530 59.236 -5.706 18732 10983 1 34 . 1 1 69 69 SER CB C 69 61.921 61.921 63.453 -1.532 18732 10984 1 34 . 1 1 70 70 PHE N N 70 123.800 123.800 123.625 0.175 18732 10985 1 34 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.012 0.365 18732 10986 1 34 . 1 1 70 70 PHE CA C 70 53.143 53.143 54.970 -1.827 18732 10987 1 34 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.276 -0.908 18732 10988 1 34 . 1 1 71 71 ASP N N 71 121.547 121.547 118.558 2.989 18732 10989 1 34 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.142 -0.043 18732 10990 1 34 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.175 -1.953 18732 10991 1 34 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.197 -3.352 18732 10992 1 34 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.525 -0.160 18732 10993 1 34 . 1 1 72 72 PRO CA C 72 61.599 61.599 63.854 -2.255 18732 10994 1 34 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.246 -2.580 18732 10995 1 34 . 1 1 73 73 TYR N N 73 118.085 118.085 117.696 0.389 18732 10996 1 34 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.451 0.175 18732 10997 1 34 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.086 -2.756 18732 10998 1 34 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.489 -2.909 18732 10999 1 34 . 1 1 74 74 SER N N 74 113.942 113.942 110.790 3.152 18732 11000 1 34 . 1 1 74 74 SER HA H 74 4.506 4.506 4.678 -0.172 18732 11001 1 34 . 1 1 74 74 SER CA C 74 56.253 56.253 57.983 -1.730 18732 11002 1 34 . 1 1 74 74 SER CB C 74 62.670 62.670 64.762 -2.092 18732 11003 1 34 . 1 1 75 75 GLN N N 75 115.717 115.717 118.362 -2.645 18732 11004 1 34 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.584 -0.340 18732 11005 1 34 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.376 -1.804 18732 11006 1 34 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.416 -2.793 18732 11007 1 34 . 1 1 76 76 LYS N N 76 119.205 119.205 119.429 -0.224 18732 11008 1 34 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.260 0.184 18732 11009 1 34 . 1 1 76 76 LYS CA C 76 54.013 54.013 56.659 -2.646 18732 11010 1 34 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.421 -2.046 18732 11011 1 34 . 1 1 77 77 VAL N N 77 125.587 125.587 122.782 2.805 18732 11012 1 34 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.090 -0.086 18732 11013 1 34 . 1 1 77 77 VAL CA C 77 61.558 61.558 61.715 -0.157 18732 11014 1 34 . 1 1 77 77 VAL CB C 77 30.401 30.401 33.890 -3.489 18732 11015 1 34 . 1 1 78 78 ASN N N 78 126.604 126.604 127.297 -0.693 18732 11016 1 34 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.932 0.018 18732 11017 1 34 . 1 1 78 78 ASN CA C 78 51.577 51.577 53.998 -2.421 18732 11018 1 34 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.946 -2.585 18732 11019 1 34 . 1 1 79 79 LYS N N 79 118.463 118.463 119.129 -0.666 18732 11020 1 34 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.623 -0.005 18732 11021 1 34 . 1 1 79 79 LYS CA C 79 53.572 53.572 56.080 -2.508 18732 11022 1 34 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.729 -3.200 18732 11023 1 34 . 1 1 80 80 ILE N N 80 123.294 123.294 120.992 2.302 18732 11024 1 34 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.204 -0.133 18732 11025 1 34 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.828 -2.132 18732 11026 1 34 . 1 1 80 80 ILE CB C 80 38.260 38.260 40.053 -1.792 18732 11027 1 34 . 1 1 81 81 ALA N N 81 130.466 130.466 128.898 1.568 18732 11028 1 34 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.813 0.223 18732 11029 1 34 . 1 1 81 81 ALA CA C 81 48.222 48.222 50.716 -2.494 18732 11030 1 34 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.627 -2.553 18732 11031 1 34 . 1 1 82 82 ILE N N 82 122.249 122.249 119.160 3.089 18732 11032 1 34 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.739 0.503 18732 11033 1 34 . 1 1 82 82 ILE CA C 82 57.675 57.675 59.771 -2.096 18732 11034 1 34 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.570 -3.778 18732 11035 1 34 . 1 1 83 83 LEU N N 83 129.605 129.605 126.089 3.516 18732 11036 1 34 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.958 -0.004 18732 11037 1 34 . 1 1 83 83 LEU CA C 83 51.332 51.332 54.017 -2.685 18732 11038 1 34 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.620 -3.145 18732 11039 1 34 . 1 1 84 84 GLU N N 84 125.594 125.594 122.234 3.360 18732 11040 1 34 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.637 0.075 18732 11041 1 34 . 1 1 84 84 GLU CA C 84 54.390 54.390 54.644 -0.254 18732 11042 1 34 . 1 1 84 84 GLU CB C 84 28.122 28.122 33.515 -5.393 18732 11043 1 34 . 1 1 85 85 GLU N N 85 123.904 123.904 124.684 -0.780 18732 11044 1 34 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.086 0.343 18732 11045 1 34 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.199 -2.303 18732 11046 1 34 . 1 1 85 85 GLU CB C 85 28.642 28.642 30.327 -1.685 18732 11047 1 34 . 1 1 86 86 TYR N N 86 123.323 123.323 118.317 5.006 18732 11048 1 34 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.747 -0.026 18732 11049 1 34 . 1 1 86 86 TYR CA C 86 53.909 53.909 56.974 -3.065 18732 11050 1 34 . 1 1 86 86 TYR CB C 86 36.596 36.596 37.879 -1.283 18732 11051 1 35 . 1 1 2 2 GLU N N 2 120.598 120.598 122.324 -1.726 18732 11052 1 35 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.737 -1.772 18732 11053 1 35 . 1 1 2 2 GLU CB C 2 27.978 27.978 31.427 -3.449 18732 11054 1 35 . 1 1 3 3 GLU N N 3 120.984 120.984 121.181 -0.197 18732 11055 1 35 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.353 -0.155 18732 11056 1 35 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.361 2.674 18732 11057 1 35 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.512 -0.244 18732 11058 1 35 . 1 1 4 4 THR N N 4 117.936 117.936 108.065 9.871 18732 11059 1 35 . 1 1 4 4 THR HA H 4 4.665 4.665 4.403 0.262 18732 11060 1 35 . 1 1 4 4 THR CA C 4 57.307 57.307 58.787 -1.480 18732 11061 1 35 . 1 1 4 4 THR CB C 4 67.215 67.215 70.348 -3.133 18732 11062 1 35 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.325 -2.585 18732 11063 1 35 . 1 1 5 5 PRO CB C 5 29.700 29.700 30.071 -0.371 18732 11064 1 35 . 1 1 6 6 LEU N N 6 122.097 122.097 120.787 1.310 18732 11065 1 35 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.716 -0.335 18732 11066 1 35 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.587 -1.572 18732 11067 1 35 . 1 1 6 6 LEU CB C 6 40.054 40.054 41.676 -1.622 18732 11068 1 35 . 1 1 8 8 THR N N 8 116.987 116.987 114.171 2.816 18732 11069 1 35 . 1 1 8 8 THR HA H 8 4.348 4.348 4.438 -0.090 18732 11070 1 35 . 1 1 8 8 THR CA C 8 59.340 59.340 61.907 -2.567 18732 11071 1 35 . 1 1 8 8 THR CB C 8 67.234 67.234 68.390 -1.156 18732 11072 1 35 . 1 1 9 9 ALA N N 9 125.944 125.944 126.995 -1.051 18732 11073 1 35 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.752 -0.378 18732 11074 1 35 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.067 -2.058 18732 11075 1 35 . 1 1 9 9 ALA CB C 9 16.807 16.807 19.936 -3.129 18732 11076 1 35 . 1 1 10 10 ARG N N 10 119.637 119.637 120.873 -1.236 18732 11077 1 35 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.328 -0.005 18732 11078 1 35 . 1 1 10 10 ARG CA C 10 53.532 53.532 56.652 -3.120 18732 11079 1 35 . 1 1 10 10 ARG CB C 10 28.492 28.492 30.555 -2.062 18732 11080 1 35 . 1 1 11 11 HIS N N 11 119.667 119.667 120.586 -0.919 18732 11081 1 35 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.581 0.136 18732 11082 1 35 . 1 1 11 11 HIS CA C 11 52.790 52.790 56.106 -3.316 18732 11083 1 35 . 1 1 11 11 HIS CB C 11 27.033 27.033 29.780 -2.747 18732 11084 1 35 . 1 1 12 12 MET N N 12 122.280 122.280 125.079 -2.799 18732 11085 1 35 . 1 1 12 12 MET HA H 12 4.543 4.543 4.778 -0.235 18732 11086 1 35 . 1 1 12 12 MET CA C 12 53.058 53.058 53.964 -0.906 18732 11087 1 35 . 1 1 12 12 MET CB C 12 29.647 29.647 35.058 -5.411 18732 11088 1 35 . 1 1 13 13 SER N N 13 118.363 118.363 115.964 2.399 18732 11089 1 35 . 1 1 13 13 SER HA H 13 4.515 4.515 4.746 -0.231 18732 11090 1 35 . 1 1 13 13 SER CA C 13 55.083 55.083 57.522 -2.439 18732 11091 1 35 . 1 1 13 13 SER CB C 13 62.243 62.243 64.566 -2.323 18732 11092 1 35 . 1 1 14 14 LYS N N 14 123.039 123.039 125.273 -2.234 18732 11093 1 35 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.886 0.040 18732 11094 1 35 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.578 -2.698 18732 11095 1 35 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.908 -2.413 18732 11096 1 35 . 1 1 15 15 TRP N N 15 118.585 118.585 117.297 1.288 18732 11097 1 35 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.630 -0.251 18732 11098 1 35 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.958 -1.389 18732 11099 1 35 . 1 1 15 15 TRP CB C 15 27.426 27.426 28.924 -1.498 18732 11100 1 35 . 1 1 16 16 GLU N N 16 119.418 119.418 120.937 -1.519 18732 11101 1 35 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.694 -0.718 18732 11102 1 35 . 1 1 16 16 GLU CA C 16 56.540 56.540 60.107 -3.567 18732 11103 1 35 . 1 1 16 16 GLU CB C 16 27.787 27.787 28.740 -0.953 18732 11104 1 35 . 1 1 17 17 GLU N N 17 117.377 117.377 119.427 -2.050 18732 11105 1 35 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.021 -0.111 18732 11106 1 35 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.109 -2.211 18732 11107 1 35 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.435 -2.582 18732 11108 1 35 . 1 1 18 18 ILE N N 18 119.807 119.807 121.004 -1.197 18732 11109 1 35 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.688 -0.020 18732 11110 1 35 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.034 -2.289 18732 11111 1 35 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.689 -2.026 18732 11112 1 35 . 1 1 19 19 ALA N N 19 121.744 121.744 121.940 -0.196 18732 11113 1 35 . 1 1 19 19 ALA HA H 19 3.955 3.955 3.844 0.111 18732 11114 1 35 . 1 1 19 19 ALA CA C 19 53.443 53.443 54.888 -1.445 18732 11115 1 35 . 1 1 19 19 ALA CB C 19 15.274 15.274 17.613 -2.339 18732 11116 1 35 . 1 1 20 20 VAL N N 20 115.918 115.918 119.017 -3.099 18732 11117 1 35 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.485 -0.086 18732 11118 1 35 . 1 1 20 20 VAL CA C 20 64.329 64.329 67.419 -3.090 18732 11119 1 35 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.573 -2.169 18732 11120 1 35 . 1 1 21 21 LYS N N 21 119.785 119.785 119.020 0.765 18732 11121 1 35 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.953 -0.032 18732 11122 1 35 . 1 1 21 21 LYS CA C 21 57.442 57.442 59.601 -2.159 18732 11123 1 35 . 1 1 21 21 LYS CB C 21 33.512 33.512 31.704 1.808 18732 11124 1 35 . 1 1 22 22 GLU N N 22 118.955 118.955 120.223 -1.268 18732 11125 1 35 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.050 0.019 18732 11126 1 35 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.639 -3.377 18732 11127 1 35 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.458 -3.362 18732 11128 1 35 . 1 1 23 23 ALA N N 23 122.253 122.253 119.287 2.966 18732 11129 1 35 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.260 -0.159 18732 11130 1 35 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.389 -1.163 18732 11131 1 35 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.723 -3.214 18732 11132 1 35 . 1 1 24 24 LYS N N 24 116.889 116.889 116.176 0.713 18732 11133 1 35 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.295 -0.276 18732 11134 1 35 . 1 1 24 24 LYS CA C 24 55.745 55.745 58.187 -2.442 18732 11135 1 35 . 1 1 24 24 LYS CB C 24 29.185 29.185 32.937 -3.752 18732 11136 1 35 . 1 1 25 25 LYS N N 25 117.772 117.772 119.696 -1.924 18732 11137 1 35 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.367 -0.344 18732 11138 1 35 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.050 -1.710 18732 11139 1 35 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.683 -2.481 18732 11140 1 35 . 1 1 26 26 ARG N N 26 117.176 117.176 120.090 -2.914 18732 11141 1 35 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.060 -0.003 18732 11142 1 35 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.705 -3.714 18732 11143 1 35 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.384 -2.350 18732 11144 1 35 . 1 1 27 27 TYR N N 27 117.344 117.344 117.451 -0.107 18732 11145 1 35 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.899 0.183 18732 11146 1 35 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.114 -2.556 18732 11147 1 35 . 1 1 27 27 TYR CB C 27 35.987 35.987 39.647 -3.660 18732 11148 1 35 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.507 0.242 18732 11149 1 35 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.040 -1.647 18732 11150 1 35 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.412 -2.557 18732 11151 1 35 . 1 1 29 29 LEU N N 29 117.758 117.758 119.154 -1.396 18732 11152 1 35 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.725 -0.136 18732 11153 1 35 . 1 1 29 29 LEU CA C 29 51.574 51.574 53.943 -2.369 18732 11154 1 35 . 1 1 29 29 LEU CB C 29 38.890 38.890 39.898 -1.008 18732 11155 1 35 . 1 1 30 30 ALA N N 30 122.493 122.493 121.289 1.204 18732 11156 1 35 . 1 1 30 30 ALA HA H 30 4.851 4.851 5.001 -0.150 18732 11157 1 35 . 1 1 30 30 ALA CA C 30 48.855 48.855 51.762 -2.907 18732 11158 1 35 . 1 1 30 30 ALA CB C 30 19.668 19.668 21.705 -2.037 18732 11159 1 35 . 1 1 31 31 GLN N N 31 118.936 118.936 117.988 0.948 18732 11160 1 35 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.804 -0.165 18732 11161 1 35 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.142 -2.871 18732 11162 1 35 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.882 -4.039 18732 11163 1 35 . 1 1 32 32 VAL N N 32 123.815 123.815 122.577 1.238 18732 11164 1 35 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.392 0.273 18732 11165 1 35 . 1 1 32 32 VAL CA C 32 60.265 60.265 61.276 -1.011 18732 11166 1 35 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.886 -4.008 18732 11167 1 35 . 1 1 33 33 LEU N N 33 128.709 128.709 128.486 0.223 18732 11168 1 35 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.495 -0.253 18732 11169 1 35 . 1 1 33 33 LEU CA C 33 53.383 53.383 55.226 -1.843 18732 11170 1 35 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.693 -1.570 18732 11171 1 35 . 1 1 34 34 PHE N N 34 114.779 114.779 117.349 -2.570 18732 11172 1 35 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.564 -0.658 18732 11173 1 35 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.462 -3.547 18732 11174 1 35 . 1 1 34 34 PHE CB C 34 40.653 40.653 43.283 -2.630 18732 11175 1 35 . 1 1 35 35 LYS N N 35 120.077 120.077 121.987 -1.910 18732 11176 1 35 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.619 0.619 18732 11177 1 35 . 1 1 35 35 LYS CA C 35 52.297 52.297 56.079 -3.782 18732 11178 1 35 . 1 1 35 35 LYS CB C 35 32.998 32.998 32.916 0.082 18732 11179 1 35 . 1 1 36 36 GLN N N 36 119.491 119.491 122.734 -3.243 18732 11180 1 35 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.660 0.576 18732 11181 1 35 . 1 1 36 36 GLN CA C 36 52.197 52.197 55.288 -3.091 18732 11182 1 35 . 1 1 36 36 GLN CB C 36 30.609 30.609 32.597 -1.988 18732 11183 1 35 . 1 1 37 37 LYS N N 37 128.471 128.471 127.426 1.045 18732 11184 1 35 . 1 1 37 37 LYS HA H 37 4.795 4.795 3.910 0.884 18732 11185 1 35 . 1 1 37 37 LYS CA C 37 54.661 54.661 57.112 -2.451 18732 11186 1 35 . 1 1 37 37 LYS CB C 37 31.273 31.273 32.571 -1.298 18732 11187 1 35 . 1 1 38 38 VAL N N 38 125.112 125.112 118.206 6.906 18732 11188 1 35 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.443 -0.106 18732 11189 1 35 . 1 1 38 38 VAL CA C 38 60.252 60.252 61.188 -0.936 18732 11190 1 35 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.294 -2.574 18732 11191 1 35 . 1 1 39 39 TRP N N 39 123.085 123.085 123.621 -0.536 18732 11192 1 35 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.779 0.070 18732 11193 1 35 . 1 1 39 39 TRP CA C 39 54.206 54.206 57.822 -3.616 18732 11194 1 35 . 1 1 39 39 TRP CB C 39 30.461 30.461 32.277 -1.816 18732 11195 1 35 . 1 1 40 40 ASP N N 40 123.000 123.000 125.836 -2.836 18732 11196 1 35 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.734 0.394 18732 11197 1 35 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.014 -1.909 18732 11198 1 35 . 1 1 40 40 ASP CB C 40 41.077 41.077 41.441 -0.364 18732 11199 1 35 . 1 1 41 41 ARG N N 41 123.259 123.259 120.000 3.259 18732 11200 1 35 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.132 0.416 18732 11201 1 35 . 1 1 41 41 ARG CA C 41 52.623 52.623 55.990 -3.367 18732 11202 1 35 . 1 1 41 41 ARG CB C 41 31.417 31.417 30.928 0.489 18732 11203 1 35 . 1 1 42 42 LYS N N 42 124.798 124.798 118.886 5.912 18732 11204 1 35 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.380 0.308 18732 11205 1 35 . 1 1 42 42 LYS CA C 42 53.773 53.773 55.125 -1.352 18732 11206 1 35 . 1 1 42 42 LYS CB C 42 31.787 31.787 35.025 -3.238 18732 11207 1 35 . 1 1 43 43 ARG N N 43 124.461 124.461 121.156 3.305 18732 11208 1 35 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.717 -0.068 18732 11209 1 35 . 1 1 43 43 ARG CA C 43 52.179 52.179 55.582 -3.403 18732 11210 1 35 . 1 1 43 43 ARG CB C 43 30.149 30.149 31.220 -1.071 18732 11211 1 35 . 1 1 44 44 LYS N N 44 121.297 121.297 120.008 1.289 18732 11212 1 35 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.190 -0.167 18732 11213 1 35 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.214 -1.578 18732 11214 1 35 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.883 -2.771 18732 11215 1 35 . 1 1 45 45 ASP N N 45 115.145 115.145 114.562 0.583 18732 11216 1 35 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.830 -0.080 18732 11217 1 35 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.757 -2.657 18732 11218 1 35 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.887 -3.194 18732 11219 1 35 . 1 1 46 46 GLU N N 46 118.274 118.274 118.105 0.169 18732 11220 1 35 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.548 -0.081 18732 11221 1 35 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.241 -1.519 18732 11222 1 35 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.568 -3.498 18732 11223 1 35 . 1 1 47 47 ALA N N 47 127.506 127.506 120.108 7.398 18732 11224 1 35 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.806 -0.112 18732 11225 1 35 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.982 -2.874 18732 11226 1 35 . 1 1 47 47 ALA CB C 47 18.842 18.842 21.767 -2.925 18732 11227 1 35 . 1 1 48 48 VAL N N 48 118.088 118.088 119.543 -1.455 18732 11228 1 35 . 1 1 48 48 VAL HA H 48 5.345 5.345 5.138 0.207 18732 11229 1 35 . 1 1 48 48 VAL CA C 48 57.625 57.625 61.099 -3.474 18732 11230 1 35 . 1 1 48 48 VAL CB C 48 33.496 33.496 36.314 -2.818 18732 11231 1 35 . 1 1 49 49 LYS N N 49 124.725 124.725 125.242 -0.517 18732 11232 1 35 . 1 1 49 49 LYS HA H 49 5.357 5.357 5.200 0.157 18732 11233 1 35 . 1 1 49 49 LYS CA C 49 52.039 52.039 54.816 -2.777 18732 11234 1 35 . 1 1 50 50 GLN N N 50 121.028 121.028 123.381 -2.353 18732 11235 1 35 . 1 1 50 50 GLN HA H 50 4.986 4.986 5.340 -0.354 18732 11236 1 35 . 1 1 50 50 GLN CA C 50 52.113 52.113 54.657 -2.544 18732 11237 1 35 . 1 1 50 50 GLN CB C 50 23.684 23.684 33.746 -10.062 18732 11238 1 35 . 1 1 51 51 TYR N N 51 124.549 124.549 118.697 5.852 18732 11239 1 35 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.928 0.290 18732 11240 1 35 . 1 1 51 51 TYR CA C 51 54.550 54.550 56.919 -2.369 18732 11241 1 35 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.708 -2.428 18732 11242 1 35 . 1 1 52 52 HIS N N 52 121.301 121.301 121.363 -0.062 18732 11243 1 35 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.024 0.195 18732 11244 1 35 . 1 1 52 52 HIS CA C 52 51.708 51.708 54.402 -2.694 18732 11245 1 35 . 1 1 52 52 HIS CB C 52 28.907 28.907 31.519 -2.612 18732 11246 1 35 . 1 1 53 53 LEU N N 53 127.743 127.743 128.181 -0.438 18732 11247 1 35 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.494 0.714 18732 11248 1 35 . 1 1 53 53 LEU CA C 53 50.887 50.887 52.936 -2.049 18732 11249 1 35 . 1 1 53 53 LEU CB C 53 42.084 42.084 44.165 -2.081 18732 11250 1 35 . 1 1 54 54 THR N N 54 117.996 117.996 119.281 -1.285 18732 11251 1 35 . 1 1 54 54 THR HA H 54 4.600 4.600 4.131 0.469 18732 11252 1 35 . 1 1 54 54 THR CA C 54 59.774 59.774 63.237 -3.463 18732 11253 1 35 . 1 1 54 54 THR CB C 54 67.153 67.153 69.003 -1.850 18732 11254 1 35 . 1 1 55 55 LEU N N 55 129.329 129.329 125.794 3.535 18732 11255 1 35 . 1 1 55 55 LEU HA H 55 5.074 5.074 5.053 0.021 18732 11256 1 35 . 1 1 55 55 LEU CA C 55 50.769 50.769 52.987 -2.219 18732 11257 1 35 . 1 1 55 55 LEU CB C 55 42.090 42.090 43.495 -1.405 18732 11258 1 35 . 1 1 56 56 ARG N N 56 117.231 117.231 120.328 -3.097 18732 11259 1 35 . 1 1 56 56 ARG HA H 56 5.357 5.357 5.104 0.253 18732 11260 1 35 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.700 -2.825 18732 11261 1 35 . 1 1 56 56 ARG CB C 56 31.945 31.945 34.147 -2.202 18732 11262 1 35 . 1 1 57 57 GLU N N 57 128.411 128.411 127.151 1.260 18732 11263 1 35 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.714 -0.023 18732 11264 1 35 . 1 1 57 57 GLU CA C 57 52.864 52.864 54.451 -1.587 18732 11265 1 35 . 1 1 57 57 GLU CB C 57 29.942 29.942 31.959 -2.017 18732 11266 1 35 . 1 1 58 58 GLY N N 58 118.265 118.265 115.778 2.487 18732 11267 1 35 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.182 -2.239 18732 11268 1 35 . 1 1 59 59 SER N N 59 122.061 122.061 120.226 1.835 18732 11269 1 35 . 1 1 59 59 SER HA H 59 4.567 4.567 4.567 -0.000 18732 11270 1 35 . 1 1 59 59 SER CA C 59 55.730 55.730 57.532 -1.802 18732 11271 1 35 . 1 1 59 59 SER CB C 59 61.262 61.262 63.920 -2.658 18732 11272 1 35 . 1 1 60 60 LYS N N 60 124.154 124.154 122.860 1.294 18732 11273 1 35 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.653 -0.033 18732 11274 1 35 . 1 1 60 60 LYS CA C 60 53.444 53.444 56.058 -2.614 18732 11275 1 35 . 1 1 60 60 LYS CB C 60 32.144 32.144 35.436 -3.292 18732 11276 1 35 . 1 1 61 61 GLU N N 61 125.701 125.701 124.811 0.890 18732 11277 1 35 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.385 0.129 18732 11278 1 35 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.816 -3.710 18732 11279 1 35 . 1 1 61 61 GLU CB C 61 29.540 29.540 31.728 -2.188 18732 11280 1 35 . 1 1 62 62 PHE N N 62 121.360 121.360 118.172 3.188 18732 11281 1 35 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.982 0.064 18732 11282 1 35 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.559 -2.196 18732 11283 1 35 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.844 -4.045 18732 11284 1 35 . 1 1 63 63 GLY N N 63 107.546 107.546 108.054 -0.508 18732 11285 1 35 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.940 -2.308 18732 11286 1 35 . 1 1 64 64 VAL N N 64 115.031 115.031 115.996 -0.965 18732 11287 1 35 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.727 0.293 18732 11288 1 35 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.350 -2.320 18732 11289 1 35 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.283 -1.131 18732 11290 1 35 . 1 1 65 65 PHE N N 65 122.208 122.208 118.240 3.968 18732 11291 1 35 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.497 0.135 18732 11292 1 35 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.010 -2.010 18732 11293 1 35 . 1 1 65 65 PHE CB C 65 39.295 39.295 43.588 -4.293 18732 11294 1 35 . 1 1 66 66 VAL N N 66 123.832 123.832 119.522 4.310 18732 11295 1 35 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.569 0.588 18732 11296 1 35 . 1 1 66 66 VAL CA C 66 58.634 58.634 61.693 -3.059 18732 11297 1 35 . 1 1 66 66 VAL CB C 66 32.312 32.312 34.795 -2.483 18732 11298 1 35 . 1 1 67 67 THR N N 67 125.293 125.293 124.366 0.927 18732 11299 1 35 . 1 1 67 67 THR CA C 67 57.150 57.150 62.101 -4.951 18732 11300 1 35 . 1 1 67 67 THR CB C 67 67.050 67.050 69.957 -2.907 18732 11301 1 35 . 1 1 68 68 ILE N N 68 128.624 128.624 129.792 -1.168 18732 11302 1 35 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.486 0.377 18732 11303 1 35 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.489 -2.256 18732 11304 1 35 . 1 1 68 68 ILE CB C 68 39.314 39.314 39.764 -0.450 18732 11305 1 35 . 1 1 69 69 SER N N 69 122.023 122.023 123.666 -1.643 18732 11306 1 35 . 1 1 69 69 SER HA H 69 5.804 5.804 5.258 0.546 18732 11307 1 35 . 1 1 69 69 SER CA C 69 53.530 53.530 57.720 -4.190 18732 11308 1 35 . 1 1 69 69 SER CB C 69 61.921 61.921 63.836 -1.915 18732 11309 1 35 . 1 1 70 70 PHE N N 70 123.800 123.800 121.182 2.618 18732 11310 1 35 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.352 0.025 18732 11311 1 35 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.630 -2.486 18732 11312 1 35 . 1 1 70 70 PHE CB C 70 40.368 40.368 42.015 -1.647 18732 11313 1 35 . 1 1 71 71 ASP N N 71 121.547 121.547 119.636 1.911 18732 11314 1 35 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.129 -0.030 18732 11315 1 35 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.521 -2.299 18732 11316 1 35 . 1 1 71 71 ASP CB C 71 40.845 40.845 44.123 -3.277 18732 11317 1 35 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.622 -0.257 18732 11318 1 35 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.180 -2.581 18732 11319 1 35 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.208 -2.542 18732 11320 1 35 . 1 1 73 73 TYR N N 73 118.085 118.085 120.750 -2.665 18732 11321 1 35 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.285 0.341 18732 11322 1 35 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.176 -2.846 18732 11323 1 35 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.328 -2.748 18732 11324 1 35 . 1 1 74 74 SER N N 74 113.942 113.942 110.618 3.324 18732 11325 1 35 . 1 1 74 74 SER HA H 74 4.506 4.506 4.614 -0.108 18732 11326 1 35 . 1 1 74 74 SER CA C 74 56.253 56.253 58.080 -1.827 18732 11327 1 35 . 1 1 74 74 SER CB C 74 62.670 62.670 63.714 -1.044 18732 11328 1 35 . 1 1 75 75 GLN N N 75 115.717 115.717 118.372 -2.655 18732 11329 1 35 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.514 -0.270 18732 11330 1 35 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.350 -1.778 18732 11331 1 35 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.579 -2.956 18732 11332 1 35 . 1 1 76 76 LYS N N 76 119.205 119.205 117.656 1.549 18732 11333 1 35 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.371 0.073 18732 11334 1 35 . 1 1 76 76 LYS CA C 76 54.013 54.013 56.479 -2.466 18732 11335 1 35 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.198 -1.823 18732 11336 1 35 . 1 1 77 77 VAL N N 77 125.587 125.587 124.231 1.356 18732 11337 1 35 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.366 -0.362 18732 11338 1 35 . 1 1 77 77 VAL CA C 77 61.558 61.558 61.850 -0.292 18732 11339 1 35 . 1 1 77 77 VAL CB C 77 30.401 30.401 31.353 -0.952 18732 11340 1 35 . 1 1 78 78 ASN N N 78 126.604 126.604 127.856 -1.252 18732 11341 1 35 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.743 0.207 18732 11342 1 35 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.760 -3.183 18732 11343 1 35 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.481 -2.120 18732 11344 1 35 . 1 1 79 79 LYS N N 79 118.463 118.463 118.136 0.327 18732 11345 1 35 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.717 -0.099 18732 11346 1 35 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.600 -2.029 18732 11347 1 35 . 1 1 79 79 LYS CB C 79 33.529 33.529 37.129 -3.600 18732 11348 1 35 . 1 1 80 80 ILE N N 80 123.294 123.294 120.590 2.704 18732 11349 1 35 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.158 -0.087 18732 11350 1 35 . 1 1 80 80 ILE CA C 80 57.696 57.696 60.127 -2.431 18732 11351 1 35 . 1 1 80 80 ILE CB C 80 38.260 38.260 41.501 -3.241 18732 11352 1 35 . 1 1 81 81 ALA N N 81 130.466 130.466 128.588 1.878 18732 11353 1 35 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.744 0.292 18732 11354 1 35 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.073 -2.851 18732 11355 1 35 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.651 -2.577 18732 11356 1 35 . 1 1 82 82 ILE N N 82 122.249 122.249 119.404 2.845 18732 11357 1 35 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.998 0.244 18732 11358 1 35 . 1 1 82 82 ILE CA C 82 57.675 57.675 60.023 -2.348 18732 11359 1 35 . 1 1 82 82 ILE CB C 82 37.792 37.792 42.021 -4.229 18732 11360 1 35 . 1 1 83 83 LEU N N 83 129.605 129.605 126.292 3.313 18732 11361 1 35 . 1 1 83 83 LEU HA H 83 4.954 4.954 5.008 -0.054 18732 11362 1 35 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.633 -2.301 18732 11363 1 35 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.564 -3.089 18732 11364 1 35 . 1 1 84 84 GLU N N 84 125.594 125.594 124.650 0.944 18732 11365 1 35 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.812 -0.100 18732 11366 1 35 . 1 1 84 84 GLU CA C 84 54.390 54.390 54.999 -0.609 18732 11367 1 35 . 1 1 84 84 GLU CB C 84 28.122 28.122 32.754 -4.632 18732 11368 1 35 . 1 1 85 85 GLU N N 85 123.904 123.904 126.577 -2.673 18732 11369 1 35 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.171 0.258 18732 11370 1 35 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.377 -2.481 18732 11371 1 35 . 1 1 85 85 GLU CB C 85 28.642 28.642 31.242 -2.600 18732 11372 1 35 . 1 1 86 86 TYR N N 86 123.323 123.323 117.619 5.704 18732 11373 1 35 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.799 -0.078 18732 11374 1 35 . 1 1 86 86 TYR CA C 86 53.909 53.909 56.989 -3.080 18732 11375 1 35 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.822 -3.226 18732 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 81 3.332 -1.225 3.118 18732 2 1 1 "Average Difference" HA 79 0.279 -0.051 0.276 18732 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18732 4 1 1 "Average Difference" CA 84 2.614 2.353 1.144 18732 5 1 1 "Average Difference" CB 81 2.661 2.362 1.234 18732 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 18732 7 1 2 "Average Difference" N 81 3.157 -0.687 3.101 18732 8 1 2 "Average Difference" HA 79 0.336 -0.077 0.329 18732 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18732 10 1 2 "Average Difference" CA 84 2.604 2.402 1.010 18732 11 1 2 "Average Difference" CB 81 2.847 2.446 1.465 18732 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 18732 13 1 3 "Average Difference" N 81 3.288 -0.842 3.198 18732 14 1 3 "Average Difference" HA 79 0.354 -0.079 0.347 18732 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18732 16 1 3 "Average Difference" CA 84 2.575 2.345 1.070 18732 17 1 3 "Average Difference" CB 81 2.727 2.352 1.389 18732 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 18732 19 1 4 "Average Difference" N 81 2.595 -0.917 2.442 18732 20 1 4 "Average Difference" HA 79 0.300 -0.073 0.293 18732 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18732 22 1 4 "Average Difference" CA 84 2.629 2.436 0.995 18732 23 1 4 "Average Difference" CB 81 2.646 2.355 1.215 18732 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 18732 25 1 5 "Average Difference" N 81 3.144 -0.787 3.063 18732 26 1 5 "Average Difference" HA 79 0.330 -0.062 0.326 18732 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18732 28 1 5 "Average Difference" CA 84 2.577 2.367 1.026 18732 29 1 5 "Average Difference" CB 81 2.780 2.350 1.494 18732 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 18732 31 1 6 "Average Difference" N 81 2.996 -0.992 2.844 18732 32 1 6 "Average Difference" HA 79 0.300 -0.081 0.291 18732 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18732 34 1 6 "Average Difference" CA 84 2.574 2.361 1.031 18732 35 1 6 "Average Difference" CB 81 2.824 2.443 1.426 18732 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 18732 37 1 7 "Average Difference" N 81 2.764 -0.750 2.677 18732 38 1 7 "Average Difference" HA 79 0.315 -0.102 0.300 18732 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18732 40 1 7 "Average Difference" CA 84 2.670 2.485 0.981 18732 41 1 7 "Average Difference" CB 81 2.626 2.331 1.218 18732 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 18732 43 1 8 "Average Difference" N 81 2.880 -1.014 2.713 18732 44 1 8 "Average Difference" HA 79 0.286 -0.073 0.278 18732 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18732 46 1 8 "Average Difference" CA 84 2.579 2.403 0.943 18732 47 1 8 "Average Difference" CB 81 2.586 2.281 1.226 18732 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 18732 49 1 9 "Average Difference" N 81 3.284 -1.162 3.090 18732 50 1 9 "Average Difference" HA 79 0.321 -0.051 0.318 18732 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18732 52 1 9 "Average Difference" CA 84 2.638 2.396 1.110 18732 53 1 9 "Average Difference" CB 81 2.648 2.347 1.233 18732 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 18732 55 1 10 "Average Difference" N 81 3.087 -0.875 2.979 18732 56 1 10 "Average Difference" HA 79 0.360 -0.076 0.354 18732 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18732 58 1 10 "Average Difference" CA 84 2.680 2.438 1.118 18732 59 1 10 "Average Difference" CB 81 2.840 2.470 1.411 18732 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 18732 61 1 11 "Average Difference" N 81 3.361 -1.367 3.089 18732 62 1 11 "Average Difference" HA 79 0.345 -0.101 0.332 18732 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18732 64 1 11 "Average Difference" CA 84 2.560 2.320 1.088 18732 65 1 11 "Average Difference" CB 81 2.793 2.354 1.512 18732 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 18732 67 1 12 "Average Difference" N 81 2.866 -0.991 2.706 18732 68 1 12 "Average Difference" HA 79 0.278 -0.049 0.275 18732 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18732 70 1 12 "Average Difference" CA 84 2.578 2.349 1.070 18732 71 1 12 "Average Difference" CB 81 2.802 2.505 1.264 18732 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 18732 73 1 13 "Average Difference" N 81 3.291 -0.909 3.183 18732 74 1 13 "Average Difference" HA 79 0.334 -0.048 0.333 18732 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18732 76 1 13 "Average Difference" CA 84 2.584 2.317 1.150 18732 77 1 13 "Average Difference" CB 81 2.805 2.430 1.409 18732 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 18732 79 1 14 "Average Difference" N 81 3.444 -1.067 3.295 18732 80 1 14 "Average Difference" HA 79 0.360 -0.074 0.354 18732 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18732 82 1 14 "Average Difference" CA 84 2.706 2.436 1.186 18732 83 1 14 "Average Difference" CB 81 2.838 2.430 1.474 18732 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 18732 85 1 15 "Average Difference" N 81 3.004 -0.762 2.924 18732 86 1 15 "Average Difference" HA 79 0.376 -0.111 0.361 18732 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18732 88 1 15 "Average Difference" CA 84 2.656 2.438 1.060 18732 89 1 15 "Average Difference" CB 81 2.861 2.405 1.560 18732 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 18732 91 1 16 "Average Difference" N 81 3.302 -1.236 3.081 18732 92 1 16 "Average Difference" HA 79 0.355 -0.099 0.342 18732 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18732 94 1 16 "Average Difference" CA 84 2.617 2.436 0.960 18732 95 1 16 "Average Difference" CB 81 2.691 2.348 1.323 18732 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 18732 97 1 17 "Average Difference" N 81 3.020 -0.689 2.958 18732 98 1 17 "Average Difference" HA 79 0.304 -0.098 0.289 18732 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18732 100 1 17 "Average Difference" CA 84 2.655 2.454 1.018 18732 101 1 17 "Average Difference" CB 81 2.678 2.318 1.350 18732 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 18732 103 1 18 "Average Difference" N 81 3.264 -1.306 3.009 18732 104 1 18 "Average Difference" HA 79 0.273 -0.038 0.272 18732 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18732 106 1 18 "Average Difference" CA 84 2.447 2.260 0.942 18732 107 1 18 "Average Difference" CB 81 2.925 2.629 1.292 18732 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 18732 109 1 19 "Average Difference" N 81 3.169 -0.763 3.095 18732 110 1 19 "Average Difference" HA 79 0.386 -0.093 0.377 18732 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18732 112 1 19 "Average Difference" CA 84 2.690 2.455 1.107 18732 113 1 19 "Average Difference" CB 81 2.662 2.195 1.516 18732 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 18732 115 1 20 "Average Difference" N 81 2.967 -0.919 2.839 18732 116 1 20 "Average Difference" HA 79 0.321 -0.053 0.319 18732 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18732 118 1 20 "Average Difference" CA 84 2.519 2.279 1.077 18732 119 1 20 "Average Difference" CB 81 2.815 2.490 1.322 18732 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 18732 121 1 21 "Average Difference" N 81 3.106 -0.717 3.041 18732 122 1 21 "Average Difference" HA 79 0.339 -0.085 0.330 18732 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 18732 124 1 21 "Average Difference" CA 84 2.579 2.396 0.960 18732 125 1 21 "Average Difference" CB 81 2.719 2.344 1.385 18732 126 1 21 "Average Difference" HN 0 0.000 0.000 0.000 18732 127 1 22 "Average Difference" N 81 3.190 -1.079 3.021 18732 128 1 22 "Average Difference" HA 79 0.310 -0.096 0.296 18732 129 1 22 "Average Difference" C 0 0.000 0.000 0.000 18732 130 1 22 "Average Difference" CA 84 2.623 2.458 0.922 18732 131 1 22 "Average Difference" CB 81 2.790 2.445 1.351 18732 132 1 22 "Average Difference" HN 0 0.000 0.000 0.000 18732 133 1 23 "Average Difference" N 81 2.964 -0.647 2.911 18732 134 1 23 "Average Difference" HA 79 0.369 -0.107 0.355 18732 135 1 23 "Average Difference" C 0 0.000 0.000 0.000 18732 136 1 23 "Average Difference" CA 84 2.622 2.380 1.108 18732 137 1 23 "Average Difference" CB 81 2.761 2.385 1.399 18732 138 1 23 "Average Difference" HN 0 0.000 0.000 0.000 18732 139 1 24 "Average Difference" N 81 3.163 -0.929 3.043 18732 140 1 24 "Average Difference" HA 79 0.357 -0.101 0.344 18732 141 1 24 "Average Difference" C 0 0.000 0.000 0.000 18732 142 1 24 "Average Difference" CA 84 2.583 2.352 1.072 18732 143 1 24 "Average Difference" CB 81 2.654 2.296 1.340 18732 144 1 24 "Average Difference" HN 0 0.000 0.000 0.000 18732 145 1 25 "Average Difference" N 81 3.267 -0.786 3.191 18732 146 1 25 "Average Difference" HA 79 0.295 -0.072 0.287 18732 147 1 25 "Average Difference" C 0 0.000 0.000 0.000 18732 148 1 25 "Average Difference" CA 84 2.671 2.458 1.052 18732 149 1 25 "Average Difference" CB 81 2.719 2.422 1.242 18732 150 1 25 "Average Difference" HN 0 0.000 0.000 0.000 18732 151 1 26 "Average Difference" N 81 2.879 -1.053 2.697 18732 152 1 26 "Average Difference" HA 79 0.318 -0.110 0.300 18732 153 1 26 "Average Difference" C 0 0.000 0.000 0.000 18732 154 1 26 "Average Difference" CA 84 2.755 2.541 1.071 18732 155 1 26 "Average Difference" CB 81 2.702 2.292 1.441 18732 156 1 26 "Average Difference" HN 0 0.000 0.000 0.000 18732 157 1 27 "Average Difference" N 81 3.075 -1.097 2.890 18732 158 1 27 "Average Difference" HA 79 0.285 -0.044 0.284 18732 159 1 27 "Average Difference" C 0 0.000 0.000 0.000 18732 160 1 27 "Average Difference" CA 84 2.528 2.329 0.990 18732 161 1 27 "Average Difference" CB 81 2.803 2.468 1.336 18732 162 1 27 "Average Difference" HN 0 0.000 0.000 0.000 18732 163 1 28 "Average Difference" N 81 2.919 -0.621 2.870 18732 164 1 28 "Average Difference" HA 79 0.330 -0.073 0.323 18732 165 1 28 "Average Difference" C 0 0.000 0.000 0.000 18732 166 1 28 "Average Difference" CA 84 2.598 2.389 1.027 18732 167 1 28 "Average Difference" CB 81 2.733 2.357 1.391 18732 168 1 28 "Average Difference" HN 0 0.000 0.000 0.000 18732 169 1 29 "Average Difference" N 81 3.368 -1.036 3.224 18732 170 1 29 "Average Difference" HA 79 0.294 -0.057 0.290 18732 171 1 29 "Average Difference" C 0 0.000 0.000 0.000 18732 172 1 29 "Average Difference" CA 84 2.568 2.363 1.012 18732 173 1 29 "Average Difference" CB 81 2.771 2.488 1.227 18732 174 1 29 "Average Difference" HN 0 0.000 0.000 0.000 18732 175 1 30 "Average Difference" N 81 3.124 -0.697 3.064 18732 176 1 30 "Average Difference" HA 79 0.305 -0.067 0.299 18732 177 1 30 "Average Difference" C 0 0.000 0.000 0.000 18732 178 1 30 "Average Difference" CA 84 2.667 2.399 1.172 18732 179 1 30 "Average Difference" CB 81 2.737 2.410 1.305 18732 180 1 30 "Average Difference" HN 0 0.000 0.000 0.000 18732 181 1 31 "Average Difference" N 81 3.172 -0.763 3.098 18732 182 1 31 "Average Difference" HA 79 0.305 -0.056 0.302 18732 183 1 31 "Average Difference" C 0 0.000 0.000 0.000 18732 184 1 31 "Average Difference" CA 84 2.667 2.447 1.065 18732 185 1 31 "Average Difference" CB 81 2.817 2.384 1.509 18732 186 1 31 "Average Difference" HN 0 0.000 0.000 0.000 18732 187 1 32 "Average Difference" N 81 2.709 -0.914 2.565 18732 188 1 32 "Average Difference" HA 79 0.338 -0.090 0.327 18732 189 1 32 "Average Difference" C 0 0.000 0.000 0.000 18732 190 1 32 "Average Difference" CA 84 2.693 2.457 1.109 18732 191 1 32 "Average Difference" CB 81 2.675 2.355 1.276 18732 192 1 32 "Average Difference" HN 0 0.000 0.000 0.000 18732 193 1 33 "Average Difference" N 81 3.394 -1.133 3.220 18732 194 1 33 "Average Difference" HA 79 0.316 -0.037 0.315 18732 195 1 33 "Average Difference" C 0 0.000 0.000 0.000 18732 196 1 33 "Average Difference" CA 84 2.594 2.312 1.184 18732 197 1 33 "Average Difference" CB 81 2.800 2.500 1.269 18732 198 1 33 "Average Difference" HN 0 0.000 0.000 0.000 18732 199 1 34 "Average Difference" N 81 3.057 -1.030 2.896 18732 200 1 34 "Average Difference" HA 79 0.339 -0.105 0.325 18732 201 1 34 "Average Difference" C 0 0.000 0.000 0.000 18732 202 1 34 "Average Difference" CA 84 2.565 2.332 1.074 18732 203 1 34 "Average Difference" CB 81 2.627 2.294 1.287 18732 204 1 34 "Average Difference" HN 0 0.000 0.000 0.000 18732 205 1 35 "Average Difference" N 81 2.754 -0.666 2.689 18732 206 1 35 "Average Difference" HA 79 0.292 -0.040 0.292 18732 207 1 35 "Average Difference" C 0 0.000 0.000 0.000 18732 208 1 35 "Average Difference" CA 84 2.569 2.372 0.993 18732 209 1 35 "Average Difference" CB 81 2.845 2.442 1.470 18732 210 1 35 "Average Difference" HN 0 0.000 0.000 0.000 18732 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 18732 _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 GLU N N 2 120.598 120.598 121.308 -0.710 18732 2 1 . 1 1 2 2 GLU CA C 2 53.965 53.965 55.990 -2.025 18732 3 1 . 1 1 2 2 GLU CB C 2 27.978 27.978 30.854 -2.876 18732 4 1 . 1 1 3 3 GLU N N 3 120.984 120.984 120.399 0.585 18732 5 1 . 1 1 3 3 GLU HA H 3 4.198 4.198 4.238 -0.040 18732 6 1 . 1 1 3 3 GLU CA C 3 60.035 60.035 57.163 2.872 18732 7 1 . 1 1 3 3 GLU CB C 3 30.268 30.268 30.517 -0.249 18732 8 1 . 1 1 4 4 THR N N 4 117.936 117.936 108.804 9.132 18732 9 1 . 1 1 4 4 THR HA H 4 4.665 4.665 4.511 0.154 18732 10 1 . 1 1 4 4 THR CA C 4 57.307 57.307 59.015 -1.708 18732 11 1 . 1 1 4 4 THR CB C 4 67.215 67.215 70.307 -3.092 18732 12 1 . 1 1 5 5 PRO CA C 5 60.740 60.740 63.486 -2.746 18732 13 1 . 1 1 5 5 PRO CB C 5 29.700 29.700 31.319 -1.619 18732 14 1 . 1 1 6 6 LEU N N 6 122.097 122.097 120.483 1.614 18732 15 1 . 1 1 6 6 LEU HA H 6 4.381 4.381 4.611 -0.230 18732 16 1 . 1 1 6 6 LEU CA C 6 53.015 53.015 54.216 -1.202 18732 17 1 . 1 1 6 6 LEU CB C 6 40.054 40.054 41.224 -1.170 18732 18 1 . 1 1 8 8 THR N N 8 116.987 116.987 115.006 1.981 18732 19 1 . 1 1 8 8 THR HA H 8 4.348 4.348 4.391 -0.043 18732 20 1 . 1 1 8 8 THR CA C 8 59.340 59.340 61.991 -2.651 18732 21 1 . 1 1 8 8 THR CB C 8 67.234 67.234 69.657 -2.423 18732 22 1 . 1 1 9 9 ALA N N 9 125.944 125.944 126.277 -0.333 18732 23 1 . 1 1 9 9 ALA HA H 9 4.374 4.374 4.448 -0.074 18732 24 1 . 1 1 9 9 ALA CA C 9 50.009 50.009 52.272 -2.263 18732 25 1 . 1 1 9 9 ALA CB C 9 16.807 16.807 19.573 -2.766 18732 26 1 . 1 1 10 10 ARG N N 10 119.637 119.637 121.193 -1.556 18732 27 1 . 1 1 10 10 ARG HA H 10 4.323 4.323 4.451 -0.128 18732 28 1 . 1 1 10 10 ARG CA C 10 53.532 53.532 55.714 -2.182 18732 29 1 . 1 1 10 10 ARG CB C 10 28.492 28.492 30.860 -2.368 18732 30 1 . 1 1 11 11 HIS N N 11 119.667 119.667 119.898 -0.231 18732 31 1 . 1 1 11 11 HIS HA H 11 4.717 4.717 4.552 0.165 18732 32 1 . 1 1 11 11 HIS CA C 11 52.790 52.790 55.906 -3.116 18732 33 1 . 1 1 11 11 HIS CB C 11 27.033 27.033 30.338 -3.305 18732 34 1 . 1 1 12 12 MET N N 12 122.280 122.280 122.078 0.202 18732 35 1 . 1 1 12 12 MET HA H 12 4.543 4.543 4.652 -0.109 18732 36 1 . 1 1 12 12 MET CA C 12 53.058 53.058 54.867 -1.809 18732 37 1 . 1 1 12 12 MET CB C 12 29.647 29.647 34.597 -4.950 18732 38 1 . 1 1 13 13 SER N N 13 118.363 118.363 116.062 2.301 18732 39 1 . 1 1 13 13 SER HA H 13 4.515 4.515 4.545 -0.030 18732 40 1 . 1 1 13 13 SER CA C 13 55.083 55.083 58.058 -2.975 18732 41 1 . 1 1 13 13 SER CB C 13 62.243 62.243 64.530 -2.288 18732 42 1 . 1 1 14 14 LYS N N 14 123.039 123.039 123.212 -0.173 18732 43 1 . 1 1 14 14 LYS HA H 14 3.926 3.926 3.913 0.013 18732 44 1 . 1 1 14 14 LYS CA C 14 55.880 55.880 58.321 -2.441 18732 45 1 . 1 1 14 14 LYS CB C 14 29.495 29.495 31.990 -2.495 18732 46 1 . 1 1 15 15 TRP N N 15 118.585 118.585 117.294 1.291 18732 47 1 . 1 1 15 15 TRP HA H 15 4.379 4.379 4.793 -0.414 18732 48 1 . 1 1 15 15 TRP CA C 15 55.569 55.569 56.917 -1.348 18732 49 1 . 1 1 15 15 TRP CB C 15 27.426 27.426 29.885 -2.459 18732 50 1 . 1 1 16 16 GLU N N 16 119.418 119.418 120.813 -1.395 18732 51 1 . 1 1 16 16 GLU HA H 16 2.976 2.976 3.326 -0.350 18732 52 1 . 1 1 16 16 GLU CA C 16 56.540 56.540 59.795 -3.255 18732 53 1 . 1 1 16 16 GLU CB C 16 27.787 27.787 28.832 -1.045 18732 54 1 . 1 1 17 17 GLU N N 17 117.377 117.377 118.438 -1.061 18732 55 1 . 1 1 17 17 GLU HA H 17 3.910 3.910 4.045 -0.135 18732 56 1 . 1 1 17 17 GLU CA C 17 56.898 56.898 59.223 -2.325 18732 57 1 . 1 1 17 17 GLU CB C 17 26.853 26.853 29.430 -2.577 18732 58 1 . 1 1 18 18 ILE N N 18 119.807 119.807 120.071 -0.264 18732 59 1 . 1 1 18 18 ILE HA H 18 3.668 3.668 3.748 -0.080 18732 60 1 . 1 1 18 18 ILE CA C 18 62.745 62.745 65.113 -2.368 18732 61 1 . 1 1 18 18 ILE CB C 18 35.663 35.663 37.772 -2.109 18732 62 1 . 1 1 19 19 ALA N N 19 121.744 121.744 122.454 -0.710 18732 63 1 . 1 1 19 19 ALA HA H 19 3.955 3.955 4.012 -0.057 18732 64 1 . 1 1 19 19 ALA CA C 19 53.443 53.443 55.336 -1.893 18732 65 1 . 1 1 19 19 ALA CB C 19 15.274 15.274 18.215 -2.941 18732 66 1 . 1 1 20 20 VAL N N 20 115.918 115.918 118.282 -2.364 18732 67 1 . 1 1 20 20 VAL HA H 20 3.399 3.399 3.545 -0.146 18732 68 1 . 1 1 20 20 VAL CA C 20 64.329 64.329 66.566 -2.237 18732 69 1 . 1 1 20 20 VAL CB C 20 29.404 29.404 31.309 -1.905 18732 70 1 . 1 1 21 21 LYS N N 21 119.785 119.785 119.428 0.357 18732 71 1 . 1 1 21 21 LYS HA H 21 3.921 3.921 3.952 -0.031 18732 72 1 . 1 1 21 21 LYS CA C 21 57.442 57.442 59.972 -2.530 18732 73 1 . 1 1 21 21 LYS CB C 21 33.512 33.512 32.086 1.426 18732 74 1 . 1 1 22 22 GLU N N 22 118.955 118.955 119.373 -0.418 18732 75 1 . 1 1 22 22 GLU HA H 22 4.069 4.069 4.114 -0.045 18732 76 1 . 1 1 22 22 GLU CA C 22 56.261 56.261 59.275 -3.014 18732 77 1 . 1 1 22 22 GLU CB C 22 26.096 26.096 29.483 -3.387 18732 78 1 . 1 1 23 23 ALA N N 23 122.253 122.253 119.763 2.490 18732 79 1 . 1 1 23 23 ALA HA H 23 4.101 4.101 4.325 -0.224 18732 80 1 . 1 1 23 23 ALA CA C 23 53.226 53.226 54.371 -1.145 18732 81 1 . 1 1 23 23 ALA CB C 23 15.509 15.509 18.620 -3.111 18732 82 1 . 1 1 24 24 LYS N N 24 116.889 116.889 115.805 1.084 18732 83 1 . 1 1 24 24 LYS HA H 24 4.019 4.019 4.352 -0.333 18732 84 1 . 1 1 24 24 LYS CA C 24 55.745 55.745 57.982 -2.237 18732 85 1 . 1 1 24 24 LYS CB C 24 29.185 29.185 33.206 -4.021 18732 86 1 . 1 1 25 25 LYS N N 25 117.772 117.772 120.675 -2.903 18732 87 1 . 1 1 25 25 LYS HA H 25 4.023 4.023 4.246 -0.223 18732 88 1 . 1 1 25 25 LYS CA C 25 56.340 56.340 58.579 -2.239 18732 89 1 . 1 1 25 25 LYS CB C 25 30.202 30.202 32.278 -2.076 18732 90 1 . 1 1 26 26 ARG N N 26 117.176 117.176 119.219 -2.043 18732 91 1 . 1 1 26 26 ARG HA H 26 4.057 4.057 4.098 -0.041 18732 92 1 . 1 1 26 26 ARG CA C 26 53.991 53.991 57.298 -3.307 18732 93 1 . 1 1 26 26 ARG CB C 26 28.034 28.034 30.564 -2.530 18732 94 1 . 1 1 27 27 TYR N N 27 117.344 117.344 117.982 -0.638 18732 95 1 . 1 1 27 27 TYR HA H 27 5.082 5.082 4.913 0.169 18732 96 1 . 1 1 27 27 TYR CA C 27 52.558 52.558 55.246 -2.688 18732 97 1 . 1 1 27 27 TYR CB C 27 35.987 35.987 38.954 -2.967 18732 98 1 . 1 1 28 28 PRO HA H 28 4.749 4.749 4.433 0.316 18732 99 1 . 1 1 28 28 PRO CA C 28 62.393 62.393 64.558 -2.165 18732 100 1 . 1 1 28 28 PRO CB C 28 29.855 29.855 32.148 -2.293 18732 101 1 . 1 1 29 29 LEU N N 29 117.758 117.758 118.109 -0.351 18732 102 1 . 1 1 29 29 LEU HA H 29 4.589 4.589 4.519 0.070 18732 103 1 . 1 1 29 29 LEU CA C 29 51.574 51.574 54.672 -3.098 18732 104 1 . 1 1 29 29 LEU CB C 29 38.890 38.890 41.598 -2.707 18732 105 1 . 1 1 30 30 ALA N N 30 122.493 122.493 119.033 3.460 18732 106 1 . 1 1 30 30 ALA HA H 30 4.851 4.851 4.876 -0.025 18732 107 1 . 1 1 30 30 ALA CA C 30 48.855 48.855 51.053 -2.198 18732 108 1 . 1 1 30 30 ALA CB C 30 19.668 19.668 21.963 -2.295 18732 109 1 . 1 1 31 31 GLN N N 31 118.936 118.936 117.704 1.232 18732 110 1 . 1 1 31 31 GLN HA H 31 4.639 4.639 4.733 -0.094 18732 111 1 . 1 1 31 31 GLN CA C 31 51.271 51.271 54.099 -2.828 18732 112 1 . 1 1 31 31 GLN CB C 31 28.843 28.843 32.356 -3.513 18732 113 1 . 1 1 32 32 VAL N N 32 123.815 123.815 122.383 1.432 18732 114 1 . 1 1 32 32 VAL HA H 32 4.665 4.665 4.201 0.464 18732 115 1 . 1 1 32 32 VAL CA C 32 60.265 60.265 62.026 -1.761 18732 116 1 . 1 1 32 32 VAL CB C 32 28.878 28.878 32.569 -3.691 18732 117 1 . 1 1 33 33 LEU N N 33 128.709 128.709 124.127 4.582 18732 118 1 . 1 1 33 33 LEU HA H 33 4.242 4.242 4.677 -0.435 18732 119 1 . 1 1 33 33 LEU CA C 33 53.383 53.383 54.524 -1.141 18732 120 1 . 1 1 33 33 LEU CB C 33 41.123 41.123 42.681 -1.558 18732 121 1 . 1 1 34 34 PHE N N 34 114.779 114.779 119.145 -4.366 18732 122 1 . 1 1 34 34 PHE HA H 34 3.906 3.906 4.653 -0.747 18732 123 1 . 1 1 34 34 PHE CA C 34 53.915 53.915 57.321 -3.406 18732 124 1 . 1 1 34 34 PHE CB C 34 40.653 40.653 42.980 -2.327 18732 125 1 . 1 1 35 35 LYS N N 35 120.077 120.077 121.979 -1.902 18732 126 1 . 1 1 35 35 LYS HA H 35 5.238 5.238 4.612 0.626 18732 127 1 . 1 1 35 35 LYS CA C 35 52.297 52.297 55.806 -3.509 18732 128 1 . 1 1 35 35 LYS CB C 35 32.998 32.998 33.364 -0.366 18732 129 1 . 1 1 36 36 GLN N N 36 119.491 119.491 122.448 -2.957 18732 130 1 . 1 1 36 36 GLN HA H 36 5.236 5.236 4.740 0.496 18732 131 1 . 1 1 36 36 GLN CA C 36 52.197 52.197 54.807 -2.610 18732 132 1 . 1 1 36 36 GLN CB C 36 30.609 30.609 32.656 -2.047 18732 133 1 . 1 1 37 37 LYS N N 37 128.471 128.471 122.123 6.348 18732 134 1 . 1 1 37 37 LYS HA H 37 4.795 4.795 4.392 0.403 18732 135 1 . 1 1 37 37 LYS CA C 37 54.661 54.661 56.366 -1.705 18732 136 1 . 1 1 37 37 LYS CB C 37 31.273 31.273 33.392 -2.119 18732 137 1 . 1 1 38 38 VAL N N 38 125.112 125.112 117.589 7.523 18732 138 1 . 1 1 38 38 VAL HA H 38 4.337 4.337 4.447 -0.110 18732 139 1 . 1 1 38 38 VAL CA C 38 60.252 60.252 61.397 -1.145 18732 140 1 . 1 1 38 38 VAL CB C 38 30.720 30.720 33.565 -2.845 18732 141 1 . 1 1 39 39 TRP N N 39 123.085 123.085 123.466 -0.381 18732 142 1 . 1 1 39 39 TRP HA H 39 4.849 4.849 4.637 0.212 18732 143 1 . 1 1 39 39 TRP CA C 39 54.206 54.206 57.825 -3.619 18732 144 1 . 1 1 39 39 TRP CB C 39 30.461 30.461 30.888 -0.427 18732 145 1 . 1 1 40 40 ASP N N 40 123.000 123.000 124.324 -1.324 18732 146 1 . 1 1 40 40 ASP HA H 40 5.128 5.128 4.703 0.425 18732 147 1 . 1 1 40 40 ASP CA C 40 51.105 51.105 53.486 -2.381 18732 148 1 . 1 1 40 40 ASP CB C 40 41.077 41.077 42.393 -1.316 18732 149 1 . 1 1 41 41 ARG N N 41 123.259 123.259 121.414 1.845 18732 150 1 . 1 1 41 41 ARG HA H 41 4.548 4.548 4.311 0.237 18732 151 1 . 1 1 41 41 ARG CA C 41 52.623 52.623 54.908 -2.285 18732 152 1 . 1 1 41 41 ARG CB C 41 31.417 31.417 32.522 -1.105 18732 153 1 . 1 1 42 42 LYS N N 42 124.798 124.798 120.536 4.262 18732 154 1 . 1 1 42 42 LYS HA H 42 4.688 4.688 4.441 0.247 18732 155 1 . 1 1 42 42 LYS CA C 42 53.773 53.773 54.901 -1.129 18732 156 1 . 1 1 42 42 LYS CB C 42 31.787 31.787 34.752 -2.965 18732 157 1 . 1 1 43 43 ARG N N 43 124.461 124.461 121.098 3.363 18732 158 1 . 1 1 43 43 ARG HA H 43 4.649 4.649 4.599 0.050 18732 159 1 . 1 1 43 43 ARG CA C 43 52.179 52.179 54.976 -2.797 18732 160 1 . 1 1 43 43 ARG CB C 43 30.149 30.149 31.221 -1.072 18732 161 1 . 1 1 44 44 LYS N N 44 121.297 121.297 120.419 0.878 18732 162 1 . 1 1 44 44 LYS HA H 44 4.023 4.023 4.131 -0.108 18732 163 1 . 1 1 44 44 LYS CA C 44 56.636 56.636 58.704 -2.068 18732 164 1 . 1 1 44 44 LYS CB C 44 30.112 30.112 32.510 -2.398 18732 165 1 . 1 1 45 45 ASP N N 45 115.145 115.145 115.104 0.041 18732 166 1 . 1 1 45 45 ASP HA H 45 4.750 4.750 4.814 -0.064 18732 167 1 . 1 1 45 45 ASP CA C 45 51.100 51.100 53.718 -2.618 18732 168 1 . 1 1 45 45 ASP CB C 45 38.693 38.693 41.143 -2.450 18732 169 1 . 1 1 46 46 GLU N N 46 118.274 118.274 117.853 0.421 18732 170 1 . 1 1 46 46 GLU HA H 46 4.467 4.467 4.573 -0.106 18732 171 1 . 1 1 46 46 GLU CA C 46 53.722 53.722 55.653 -1.931 18732 172 1 . 1 1 46 46 GLU CB C 46 30.070 30.070 33.442 -3.372 18732 173 1 . 1 1 47 47 ALA N N 47 127.506 127.506 121.727 5.779 18732 174 1 . 1 1 47 47 ALA HA H 47 4.694 4.694 4.653 0.041 18732 175 1 . 1 1 47 47 ALA CA C 47 48.108 48.108 50.650 -2.542 18732 176 1 . 1 1 47 47 ALA CB C 47 18.842 18.842 22.008 -3.166 18732 177 1 . 1 1 48 48 VAL N N 48 118.088 118.088 117.470 0.618 18732 178 1 . 1 1 48 48 VAL HA H 48 5.345 5.345 4.894 0.451 18732 179 1 . 1 1 48 48 VAL CA C 48 57.625 57.625 60.928 -3.303 18732 180 1 . 1 1 48 48 VAL CB C 48 33.496 33.496 34.838 -1.342 18732 181 1 . 1 1 49 49 LYS N N 49 124.725 124.725 125.384 -0.659 18732 182 1 . 1 1 49 49 LYS HA H 49 5.357 5.357 4.721 0.636 18732 183 1 . 1 1 49 49 LYS CA C 49 52.039 52.039 55.378 -3.339 18732 184 1 . 1 1 50 50 GLN N N 50 121.028 121.028 121.016 0.012 18732 185 1 . 1 1 50 50 GLN HA H 50 4.986 4.986 4.662 0.324 18732 186 1 . 1 1 50 50 GLN CA C 50 52.113 52.113 55.212 -3.099 18732 187 1 . 1 1 50 50 GLN CB C 50 23.684 23.684 31.169 -7.485 18732 188 1 . 1 1 51 51 TYR N N 51 124.549 124.549 117.064 7.485 18732 189 1 . 1 1 51 51 TYR HA H 51 5.218 5.218 4.909 0.309 18732 190 1 . 1 1 51 51 TYR CA C 51 54.550 54.550 57.238 -2.688 18732 191 1 . 1 1 51 51 TYR CB C 51 40.280 40.280 42.457 -2.176 18732 192 1 . 1 1 52 52 HIS N N 52 121.301 121.301 121.075 0.226 18732 193 1 . 1 1 52 52 HIS HA H 52 5.219 5.219 5.138 0.081 18732 194 1 . 1 1 52 52 HIS CA C 52 51.708 51.708 54.264 -2.556 18732 195 1 . 1 1 52 52 HIS CB C 52 28.907 28.907 31.779 -2.872 18732 196 1 . 1 1 53 53 LEU N N 53 127.743 127.743 126.613 1.130 18732 197 1 . 1 1 53 53 LEU HA H 53 5.208 5.208 4.674 0.534 18732 198 1 . 1 1 53 53 LEU CA C 53 50.887 50.887 53.387 -2.500 18732 199 1 . 1 1 53 53 LEU CB C 53 42.084 42.084 45.126 -3.042 18732 200 1 . 1 1 54 54 THR N N 54 117.996 117.996 117.401 0.595 18732 201 1 . 1 1 54 54 THR HA H 54 4.600 4.600 4.385 0.215 18732 202 1 . 1 1 54 54 THR CA C 54 59.774 59.774 61.850 -2.076 18732 203 1 . 1 1 54 54 THR CB C 54 67.153 67.153 69.523 -2.370 18732 204 1 . 1 1 55 55 LEU N N 55 129.329 129.329 125.630 3.699 18732 205 1 . 1 1 55 55 LEU HA H 55 5.074 5.074 4.886 0.188 18732 206 1 . 1 1 55 55 LEU CA C 55 50.769 50.769 53.365 -2.596 18732 207 1 . 1 1 55 55 LEU CB C 55 42.090 42.090 43.455 -1.365 18732 208 1 . 1 1 56 56 ARG N N 56 117.231 117.231 120.199 -2.968 18732 209 1 . 1 1 56 56 ARG HA H 56 5.357 5.357 4.908 0.449 18732 210 1 . 1 1 56 56 ARG CA C 56 51.875 51.875 54.745 -2.870 18732 211 1 . 1 1 56 56 ARG CB C 56 31.945 31.945 33.474 -1.529 18732 212 1 . 1 1 57 57 GLU N N 57 128.411 128.411 127.981 0.430 18732 213 1 . 1 1 57 57 GLU HA H 57 4.691 4.691 4.764 -0.073 18732 214 1 . 1 1 57 57 GLU CA C 57 52.864 52.864 55.289 -2.425 18732 215 1 . 1 1 57 57 GLU CB C 57 29.942 29.942 31.792 -1.850 18732 216 1 . 1 1 58 58 GLY N N 58 118.265 118.265 116.708 1.557 18732 217 1 . 1 1 58 58 GLY CA C 58 44.943 44.943 47.108 -2.165 18732 218 1 . 1 1 59 59 SER N N 59 122.061 122.061 119.049 3.012 18732 219 1 . 1 1 59 59 SER HA H 59 4.567 4.567 4.637 -0.070 18732 220 1 . 1 1 59 59 SER CA C 59 55.730 55.730 58.014 -2.284 18732 221 1 . 1 1 59 59 SER CB C 59 61.262 61.262 64.018 -2.756 18732 222 1 . 1 1 60 60 LYS N N 60 124.154 124.154 122.743 1.411 18732 223 1 . 1 1 60 60 LYS HA H 60 4.620 4.620 4.581 0.039 18732 224 1 . 1 1 60 60 LYS CA C 60 53.444 53.444 55.771 -2.327 18732 225 1 . 1 1 60 60 LYS CB C 60 32.144 32.144 35.042 -2.898 18732 226 1 . 1 1 61 61 GLU N N 61 125.701 125.701 122.980 2.721 18732 227 1 . 1 1 61 61 GLU HA H 61 5.514 5.514 5.293 0.221 18732 228 1 . 1 1 61 61 GLU CA C 61 52.106 52.106 55.241 -3.135 18732 229 1 . 1 1 61 61 GLU CB C 61 29.540 29.540 32.520 -2.980 18732 230 1 . 1 1 62 62 PHE N N 62 121.360 121.360 119.370 1.990 18732 231 1 . 1 1 62 62 PHE HA H 62 5.046 5.046 4.932 0.114 18732 232 1 . 1 1 62 62 PHE CA C 62 53.363 53.363 55.946 -2.583 18732 233 1 . 1 1 62 62 PHE CB C 62 37.799 37.799 41.326 -3.527 18732 234 1 . 1 1 63 63 GLY N N 63 107.546 107.546 108.411 -0.865 18732 235 1 . 1 1 63 63 GLY CA C 63 41.632 41.632 43.941 -2.309 18732 236 1 . 1 1 64 64 VAL N N 64 115.031 115.031 117.287 -2.256 18732 237 1 . 1 1 64 64 VAL HA H 64 5.020 5.020 4.780 0.240 18732 238 1 . 1 1 64 64 VAL CA C 64 57.030 57.030 59.418 -2.388 18732 239 1 . 1 1 64 64 VAL CB C 64 34.152 34.152 35.002 -0.850 18732 240 1 . 1 1 65 65 PHE N N 65 122.208 122.208 121.338 0.870 18732 241 1 . 1 1 65 65 PHE HA H 65 5.632 5.632 5.304 0.328 18732 242 1 . 1 1 65 65 PHE CA C 65 54.000 54.000 56.478 -2.478 18732 243 1 . 1 1 65 65 PHE CB C 65 39.295 39.295 41.644 -2.349 18732 244 1 . 1 1 66 66 VAL N N 66 123.832 123.832 122.180 1.652 18732 245 1 . 1 1 66 66 VAL HA H 66 5.157 5.157 4.363 0.794 18732 246 1 . 1 1 66 66 VAL CA C 66 58.634 58.634 62.287 -3.653 18732 247 1 . 1 1 66 66 VAL CB C 66 32.312 32.312 33.396 -1.084 18732 248 1 . 1 1 67 67 THR N N 67 125.293 125.293 123.648 1.645 18732 249 1 . 1 1 67 67 THR CA C 67 57.150 57.150 62.198 -5.048 18732 250 1 . 1 1 67 67 THR CB C 67 67.050 67.050 69.489 -2.439 18732 251 1 . 1 1 68 68 ILE N N 68 128.624 128.624 128.549 0.075 18732 252 1 . 1 1 68 68 ILE HA H 68 4.863 4.863 4.460 0.403 18732 253 1 . 1 1 68 68 ILE CA C 68 58.233 58.233 60.619 -2.386 18732 254 1 . 1 1 68 68 ILE CB C 68 39.314 39.314 40.110 -0.796 18732 255 1 . 1 1 69 69 SER N N 69 122.023 122.023 122.531 -0.508 18732 256 1 . 1 1 69 69 SER HA H 69 5.804 5.804 5.226 0.578 18732 257 1 . 1 1 69 69 SER CA C 69 53.530 53.530 57.564 -4.034 18732 258 1 . 1 1 69 69 SER CB C 69 61.921 61.921 64.520 -2.599 18732 259 1 . 1 1 70 70 PHE N N 70 123.800 123.800 121.883 1.917 18732 260 1 . 1 1 70 70 PHE HA H 70 5.377 5.377 5.401 -0.024 18732 261 1 . 1 1 70 70 PHE CA C 70 53.143 53.143 55.357 -2.214 18732 262 1 . 1 1 70 70 PHE CB C 70 40.368 40.368 41.541 -1.173 18732 263 1 . 1 1 71 71 ASP N N 71 121.547 121.547 119.470 2.077 18732 264 1 . 1 1 71 71 ASP HA H 71 5.099 5.099 5.082 0.017 18732 265 1 . 1 1 71 71 ASP CA C 71 48.222 48.222 50.870 -2.648 18732 266 1 . 1 1 71 71 ASP CB C 71 40.845 40.845 43.773 -2.928 18732 267 1 . 1 1 72 72 PRO HA H 72 4.365 4.365 4.507 -0.142 18732 268 1 . 1 1 72 72 PRO CA C 72 61.599 61.599 64.242 -2.643 18732 269 1 . 1 1 72 72 PRO CB C 72 29.666 29.666 32.032 -2.366 18732 270 1 . 1 1 73 73 TYR N N 73 118.085 118.085 119.728 -1.643 18732 271 1 . 1 1 73 73 TYR HA H 73 4.626 4.626 4.327 0.299 18732 272 1 . 1 1 73 73 TYR CA C 73 57.330 57.330 60.161 -2.831 18732 273 1 . 1 1 73 73 TYR CB C 73 35.580 35.580 38.387 -2.807 18732 274 1 . 1 1 74 74 SER N N 74 113.942 113.942 110.973 2.969 18732 275 1 . 1 1 74 74 SER HA H 74 4.506 4.506 4.631 -0.125 18732 276 1 . 1 1 74 74 SER CA C 74 56.253 56.253 58.191 -1.938 18732 277 1 . 1 1 74 74 SER CB C 74 62.670 62.670 63.983 -1.313 18732 278 1 . 1 1 75 75 GLN N N 75 115.717 115.717 118.842 -3.125 18732 279 1 . 1 1 75 75 GLN HA H 75 4.244 4.244 4.567 -0.323 18732 280 1 . 1 1 75 75 GLN CA C 75 55.572 55.572 57.234 -1.662 18732 281 1 . 1 1 75 75 GLN CB C 75 23.623 23.623 26.872 -3.249 18732 282 1 . 1 1 76 76 LYS N N 76 119.205 119.205 120.186 -0.981 18732 283 1 . 1 1 76 76 LYS HA H 76 4.444 4.444 4.423 0.021 18732 284 1 . 1 1 76 76 LYS CA C 76 54.013 54.013 55.936 -1.923 18732 285 1 . 1 1 76 76 LYS CB C 76 31.375 31.375 33.251 -1.876 18732 286 1 . 1 1 77 77 VAL N N 77 125.587 125.587 126.235 -0.648 18732 287 1 . 1 1 77 77 VAL HA H 77 4.004 4.004 4.035 -0.031 18732 288 1 . 1 1 77 77 VAL CA C 77 61.558 61.558 63.048 -1.490 18732 289 1 . 1 1 77 77 VAL CB C 77 30.401 30.401 32.061 -1.660 18732 290 1 . 1 1 78 78 ASN N N 78 126.604 126.604 128.075 -1.471 18732 291 1 . 1 1 78 78 ASN HA H 78 4.950 4.950 4.757 0.193 18732 292 1 . 1 1 78 78 ASN CA C 78 51.577 51.577 54.845 -3.268 18732 293 1 . 1 1 78 78 ASN CB C 78 37.361 37.361 39.499 -2.139 18732 294 1 . 1 1 79 79 LYS N N 79 118.463 118.463 118.116 0.347 18732 295 1 . 1 1 79 79 LYS HA H 79 4.618 4.618 4.704 -0.086 18732 296 1 . 1 1 79 79 LYS CA C 79 53.572 53.572 55.568 -1.996 18732 297 1 . 1 1 79 79 LYS CB C 79 33.529 33.529 36.610 -3.081 18732 298 1 . 1 1 80 80 ILE N N 80 123.294 123.294 120.264 3.030 18732 299 1 . 1 1 80 80 ILE HA H 80 5.071 5.071 5.094 -0.023 18732 300 1 . 1 1 80 80 ILE CA C 80 57.696 57.696 59.905 -2.209 18732 301 1 . 1 1 80 80 ILE CB C 80 38.260 38.260 41.045 -2.785 18732 302 1 . 1 1 81 81 ALA N N 81 130.466 130.466 128.023 2.443 18732 303 1 . 1 1 81 81 ALA HA H 81 5.036 5.036 4.790 0.246 18732 304 1 . 1 1 81 81 ALA CA C 81 48.222 48.222 51.027 -2.805 18732 305 1 . 1 1 81 81 ALA CB C 81 20.074 20.074 22.404 -2.330 18732 306 1 . 1 1 82 82 ILE N N 82 122.249 122.249 119.175 3.074 18732 307 1 . 1 1 82 82 ILE HA H 82 5.242 5.242 4.662 0.580 18732 308 1 . 1 1 82 82 ILE CA C 82 57.675 57.675 60.041 -2.366 18732 309 1 . 1 1 82 82 ILE CB C 82 37.792 37.792 41.203 -3.411 18732 310 1 . 1 1 83 83 LEU N N 83 129.605 129.605 125.633 3.972 18732 311 1 . 1 1 83 83 LEU HA H 83 4.954 4.954 4.951 0.003 18732 312 1 . 1 1 83 83 LEU CA C 83 51.332 51.332 53.900 -2.568 18732 313 1 . 1 1 83 83 LEU CB C 83 43.475 43.475 46.281 -2.806 18732 314 1 . 1 1 84 84 GLU N N 84 125.594 125.594 122.351 3.243 18732 315 1 . 1 1 84 84 GLU HA H 84 4.712 4.712 4.749 -0.037 18732 316 1 . 1 1 84 84 GLU CA C 84 54.390 54.390 55.211 -0.821 18732 317 1 . 1 1 84 84 GLU CB C 84 28.122 28.122 32.968 -4.846 18732 318 1 . 1 1 85 85 GLU N N 85 123.904 123.904 125.507 -1.603 18732 319 1 . 1 1 85 85 GLU HA H 85 4.429 4.429 4.364 0.065 18732 320 1 . 1 1 85 85 GLU CA C 85 53.896 53.896 56.317 -2.421 18732 321 1 . 1 1 85 85 GLU CB C 85 28.642 28.642 30.970 -2.328 18732 322 1 . 1 1 86 86 TYR N N 86 123.323 123.323 119.870 3.453 18732 323 1 . 1 1 86 86 TYR HA H 86 4.721 4.721 4.851 -0.130 18732 324 1 . 1 1 86 86 TYR CA C 86 53.909 53.909 57.015 -3.106 18732 325 1 . 1 1 86 86 TYR CB C 86 36.596 36.596 39.613 -3.017 18732 stop_ save_